0 B8R0.8 C#CCCC(=O)C(=C)C 1458a_100000185857_100000753159 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.8 C#CCCC(=O)C(O)O 1458a_100000233687_100000753159 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.8 C#CCCC(=O)N(C)C 11a_100102631434_100000692101 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.8 C#CCCC(=O)N(C)C 1626a_100102631434_100000692101 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.8 C#CCCC(=O)N(C)C 240690a_100102631434_100000692101 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.8 C#CCCC(=O)N(C)C 527a_100102631434_100000692101 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.8 C#CCCN(C)C(C)C 269982a_200000211004_100000730999 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.8 C#CCNC(=O)C(C)C 11a_100000212058_100000210198 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.8 C#CCNC(=O)C(C)C 1626a_100000212058_100000210198 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.8 C#CCNC(=O)C(C)C 240690a_100000212058_100000210198 [0,0,0,0,0,0|1,0,2]=3 15 B8R0.8 C#CCNC(=O)C(C)C 527a_100000212058_100000210198 [0,0,0,0,0,0|1,0,2]=3 16 B8R0.8 C#CCNC(=O)C(C)F 11a_100000212058_100000062450 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.8 C#CCNC(=O)C(C)F 1626a_100000212058_100000062450 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.8 C#CCNC(=O)C(C)F 240690a_100000212058_100000062450 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.8 C#CCNC(=O)C(C)F 527a_100000212058_100000062450 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.8 C#CCNC(=O)N(C)C 2708a_100000212058_100102631434 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.8 C#CCNC(=O)[C@@H](C)O 240690a_100000212058_100000717761 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.8 C#CCNC(=O)[C@H](C)O 1626a_100000212058_217856618621 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.8 C#CCNC(=O)[C@H](C)O 240690a_100000212058_217856618621 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,0,0,0,0,0|0,0,2]=2 25 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,0,0,0,0,0|1,0,2]=3 26 B8R0.8 C/C=C/CC(=O)C(O)O 1458a_100000233687_100102629194 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,0,0,0,0,0|1,0,2]=3 28 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,0,0,0,0,0|1,0,2]=3 29 B8R0.8 C/C=C/CN(C)C(C)C 269982a_200000211004_100102629194 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,0,0,0,0,0|0,0,4]=4 33 B8R0.8 C=C(C)C(=O)CC#CC 1458a_100000185857_100000748600 [0,0,0,0,0,0|0,0,4]=4 34 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,0,0,0,0,0|0,0,4]=4 35 B8R0.8 C=C(C)C(=O)CCC#N 1458a_100000185857_100011215226 [0,0,0,0,0,0|1,0,3]=4 36 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,0,0,0,0,0|0,0,2]=2 37 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,0,0,0,0,0|1,0,2]=3 38 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,0,0,0,0,0|1,0,2]=3 39 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,0,0,0,0,0|1,0,2]=3 40 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,0,0,0,0,0|1,0,2]=3 41 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,0,0,0,0,0|1,0,2]=3 42 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,0,0,0,0,0|1,0,2]=3 43 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,0,0,0,0,0|2,0,2]=4 44 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,0,0,0,0,0|2,0,2]=4 45 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [0,0,0,0,0,0|2,0,2]=4 46 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,0,0,0,0,0|2,0,2]=4 47 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,0,0,0,0,0|2,0,2]=4 48 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,0,0,0,0,0|2,0,2]=4 49 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,0,0,0,0,0|2,0,2]=4 50 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [0,0,0,0,0,0|0,0,4]=4 51 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,0,0,0,0,0|0,0,4]=4 52 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,0,0,0,0,0|0,0,2]=2 53 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,0,0,0,0,0|0,0,2]=2 54 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,0,0,0,0,0|1,0,2]=3 55 B8R0.8 C=CCCC(=O)C(O)O 1458a_100000233687_100000754431 [0,0,0,0,0,0|2,0,2]=4 56 B8R0.8 C=CCCC(=O)N(C)C 11a_100102631434_100000749702 [0,0,0,0,0,0|1,0,2]=3 57 B8R0.8 C=CCCC(=O)N(C)C 1626a_100102631434_100000749702 [0,0,0,0,0,0|1,0,2]=3 58 B8R0.8 C=CCCC(=O)N(C)C 240690a_100102631434_100000749702 [0,0,0,0,0,0|1,0,2]=3 59 B8R0.8 C=CCCC(=O)N(C)C 527a_100102631434_100000749702 [0,0,0,0,0,0|1,0,2]=3 60 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,0,0,0,0,0|1,0,2]=3 61 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,0,0,0,0,0|1,0,2]=3 62 B8R0.8 C=CCCN(C)C(C)C 2230a_100020639649_100000210206 [0,0,0,0,0,0|2,0,2]=4 63 B8R0.8 C=CCCN(C)C(C)C 269982a_100020639649_100000210206 [0,0,0,0,0,0|2,0,2]=4 64 B8R0.8 C=CCCN(C)C(C)C 269982a_200000211004_100000754431 [0,0,0,0,0,0|2,0,2]=4 65 B8R0.8 C=CCNC(=O)C(C)C 1626a_100020586998_100000210198 [0,0,0,0,0,0|1,0,2]=3 66 B8R0.8 C=CCNC(=O)C(C)C 240690a_100020586998_100000210198 [0,0,0,0,0,0|1,0,2]=3 67 B8R0.8 C=CCNC(=O)C(C)C 527a_100020586998_100000210198 [0,0,0,0,0,0|1,0,2]=3 68 B8R0.8 C=CCNC(=O)C(C)F 1626a_100020586998_100000062450 [0,0,0,0,0,0|2,0,2]=4 69 B8R0.8 C=CCNC(=O)C(C)F 240690a_100020586998_100000062450 [0,0,0,0,0,0|2,0,2]=4 70 B8R0.8 C=CCNC(=O)C(C)F 527a_100020586998_100000062450 [0,0,0,0,0,0|2,0,2]=4 71 B8R0.8 C=CCNC(=O)[C@@H](C)O 240690a_100020586998_100000717761 [0,0,0,0,0,0|2,0,2]=4 72 B8R0.8 C=CCNC(=O)[C@H](C)O 1626a_100020586998_217856618621 [0,0,0,0,0,0|2,0,2]=4 73 B8R0.8 C=CCNC(=O)[C@H](C)O 240690a_100020586998_217856618621 [0,0,0,0,0,0|2,0,2]=4 74 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [0,0,0,0,0,0|0,0,2]=2 75 B8R0.8 CC#CCC(=O)C(C)F 1458a_100000062450_100000748600 [0,0,0,0,0,0|1,0,2]=3 76 B8R0.8 CC#CCC(=O)C(O)O 1458a_100000233687_100000748600 [0,0,0,0,0,0|2,0,2]=4 77 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,0,0,0,0,0|1,0,2]=3 78 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,0,0,0,0,0|1,0,2]=3 79 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,0,0,0,0,0|3,0,1]=4 81 B8R0.8 CC(C)C(=O)C#CCO 1458a_100000049017_100000210206 [0,0,0,0,0,0|1,0,2]=3 82 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [0,0,0,0,0,0|1,0,1]=2 83 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [0,0,0,0,0,0|1,0,1]=2 84 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,0,0,0,0,0|1,0,0]=1 85 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,0,0,0,0,0|1,0,0]=1 86 B8R0.8 CC(C)C(=O)CSCF 62a_100000753385_100015361967 [0,0,0,0,0,0|2,0,0]=2 87 B8R0.8 CC(C)C(=O)CSCF 62a_100015361967_100000753385 [0,0,0,0,0,0|2,0,0]=2 88 B8R0.8 CC(C)C(=O)NCC#N 1626a_100000734998_100000210198 [0,0,0,0,0,0|2,0,1]=3 89 B8R0.8 CC(C)C(=O)NCC#N 527a_100000734998_100000210198 [0,0,0,0,0,0|2,0,1]=3 90 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,0,0,0,0,0|2,0,0]=2 91 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,0,0,0,0,0|2,0,0]=2 92 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,0,0,0,0,0|2,0,0]=2 93 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,0,0,0,0,0|2,0,0]=2 94 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,0,0,0,0,0|2,0,0]=2 95 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,0,0,0,0,0|2,0,0]=2 96 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,0,0,0,0,0|2,0,0]=2 97 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,0,0,0,0,0|2,0,0]=2 98 B8R0.8 CC(C)C(C)NCCF 2230a_100000211541_100011217306 [0,0,0,0,0,0|3,0,1]=4 99 B8R0.8 CC(C)C(C)NCCO 2230a_100000211541_100000211926 [0,0,0,0,0,0|3,0,1]=4 100 B8R0.8 CC(C)C(C)OCCF 7a_100000748068_100011217306 [0,0,0,0,0,0|3,0,1]=4 101 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [0,0,0,0,0,0|3,0,1]=4 102 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,0,0,0,0,0|2,0,1]=3 103 B8R0.8 CC(C)C(O)CNCF 34a_100000759067_100015361967 [0,0,0,0,0,0|2,0,2]=4 104 B8R0.8 CC(C)N(C)CCC#N 2230a_100000184479_100000210206 [0,0,0,0,0,0|3,0,1]=4 105 B8R0.8 CC(C)N(C)CCC#N 269982a_200000211004_100011215226 [0,0,0,0,0,0|3,0,1]=4 106 B8R0.8 CC(C)N(C)CCCF 269982a_200000211004_100011934791 [0,0,0,0,0,0|3,0,0]=3 107 B8R0.8 CC(C)N(C)CCCO 2230a_100000182298_200000210301 [0,0,0,0,0,0|3,0,0]=3 108 B8R0.8 CC(C)N(C)CCCO 2230a_100000213112_100000210206 [0,0,0,0,0,0|3,0,0]=3 109 B8R0.8 CC(C)N(C)CCCO 269982a_100000182298_200000210301 [0,0,0,0,0,0|3,0,0]=3 110 B8R0.8 CC(C)N(C)CCCO 269982a_100000213112_100000210206 [0,0,0,0,0,0|3,0,0]=3 111 B8R0.8 CC(C)N(C)CCCO 269982a_200000211004_100011215043 [0,0,0,0,0,0|3,0,0]=3 112 B8R0.8 CC(C)N([13CH3])CCCO 2230a_100000182298_200025704644 [0,0,0,0,0,0|3,0,0]=3 113 B8R0.8 CC(C)N([13CH3])CCCO 269982a_100000182298_200025704644 [0,0,0,0,0,0|3,0,0]=3 114 B8R0.8 CC(C)[C@@H](N)COCF 34a_100011830312_100015361967 [0,0,0,0,0,0|3,0,1]=4 115 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [0,0,0,0,0,0|2,0,1]=3 116 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,0,0,0,0,0|2,0,0]=2 117 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,0,0,0,0,0|2,0,0]=2 118 B8R0.8 CC(F)C(=O)NCC#N 1626a_100000734998_100000062450 [0,0,0,0,0,0|3,0,1]=4 119 B8R0.8 CC(F)C(=O)NCC#N 527a_100000734998_100000062450 [0,0,0,0,0,0|3,0,1]=4 120 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,0,0,0,0,0|3,0,0]=3 121 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,0,0,0,0,0|3,0,0]=3 122 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,0,0,0,0,0|3,0,0]=3 123 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,0,0,0,0,0|3,0,0]=3 124 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,0,0,0,0,0|3,0,0]=3 125 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,0,0,0,0,0|3,0,0]=3 126 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,0,0,0,0,0|0,0,2]=2 127 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,0,0,0,0,0|0,0,2]=2 128 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,0,0,0,0,0|1,0,2]=3 129 B8R0.8 CC=CCC(=O)C(O)O 1458a_100000233687_100000070051 [0,0,0,0,0,0|2,0,2]=4 130 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [0,0,0,0,0,0|1,0,2]=3 131 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [0,0,0,0,0,0|1,0,2]=3 132 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [0,0,0,0,0,0|1,0,2]=3 133 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [0,0,0,0,0,0|1,0,2]=3 134 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,0,0,0,0,0|1,0,2]=3 135 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,0,0,0,0,0|1,0,2]=3 136 B8R0.8 CC=NNC(=O)C(C)C 4a_100000184118_200000210099 [0,0,0,0,0,0|2,0,1]=3 137 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,0,0,0,0,0|0,0,2]=2 138 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,0,0,0,0,0|2,0,2]=4 139 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,0,0,0,0,0|2,0,2]=4 140 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,0,0,0,0,0|0,0,2]=2 141 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,0,0,0,0,0|1,0,2]=3 142 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,0,0,0,0,0|1,0,2]=3 143 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,0,0,0,0,0|1,0,2]=3 144 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,0,0,0,0,0|0,0,0]=0 145 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,0,0,0,0,0|0,0,0]=0 146 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,0,0,0,0,0|1,0,0]=1 147 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,0,0,0,0,0|2,0,0]=2 148 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,0,0,0,0,0|1,0,0]=1 149 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,0,0,0,0,0|1,0,0]=1 150 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,0,0,0,0,0|1,0,0]=1 151 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,0,0,0,0,0|1,0,0]=1 152 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,0,0,0,0,0|1,0,0]=1 153 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,0,0,0,0,0|1,0,0]=1 154 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,0,0,0,0,0|2,0,2]=4 155 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,0,0,0,0,0|2,0,2]=4 156 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,0,0,0,0,0|2,0,2]=4 157 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,0,0,0,0,0|2,0,1]=3 158 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,0,0,0,0,0|2,0,1]=3 159 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,0,0,0,0,0|2,0,1]=3 160 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,0,0,0,0,0|1,0,3]=4 161 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,0,0,0,0,0|1,0,3]=4 162 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,0,0,0,0,0|3,0,1]=4 163 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,0,0,0,0,0|3,0,1]=4 164 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,0,0,0,0,0|3,0,1]=4 165 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,0,0,0,0,0|3,0,1]=4 166 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [0,0,0,0,0,0|2,0,0]=2 167 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [0,0,0,0,0,0|2,0,0]=2 168 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [0,0,0,0,0,0|2,0,0]=2 169 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [0,0,0,0,0,0|2,0,0]=2 170 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [0,0,0,0,0,0|2,0,0]=2 171 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [0,0,0,0,0,0|2,0,0]=2 172 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [0,0,0,0,0,0|2,0,0]=2 173 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,0,0,0,0,0|2,0,1]=3 174 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,0,0,0,0,0|3,0,1]=4 175 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,0,0,0,0,0|2,0,1]=3 176 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,0,0,0,0,0|1,0,0]=1 177 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,0,0,0,0,0|1,0,0]=1 178 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,0,0,0,0,0|1,0,0]=1 179 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,0,0,0,0,0|1,0,0]=1 180 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,0,0,0,0,0|2,0,0]=2 181 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,0,0,0,0,0|2,0,0]=2 182 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,0,0,0,0,0|2,0,0]=2 183 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,0,0,0,0,0|2,0,0]=2 184 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [0,0,0,0,0,0|3,0,0]=3 185 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [0,0,0,0,0,0|3,0,0]=3 186 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [0,0,0,0,0,0|3,0,0]=3 187 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [0,0,0,0,0,0|3,0,0]=3 188 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,0,0,0,0,0|3,0,0]=3 189 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,0,0,0,0,0|2,0,0]=2 190 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,0,0,0,0,0|2,0,0]=2 191 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,0,0,0,0,0|2,0,0]=2 192 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,0,0,0,0,0|2,0,0]=2 193 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,0,0,0,0,0|2,0,1]=3 194 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,0,0,0,0,0|2,0,1]=3 195 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,0,0,0,0,0|1,0,0]=1 196 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,0,0,0,0,0|2,0,0]=2 197 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,0,0,0,0,0|2,0,0]=2 198 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [0,0,0,0,0,0|1,0,2]=3 199 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [0,0,0,0,0,0|1,0,2]=3 200 B8R0.8 CCNN=C(C)C(C)C 4a_100000756455_100000211110 [0,0,0,0,0,0|3,0,0]=3 201 B8R0.8 CCNN=C(C)C(C)O 4a_100000756455_100000212229 [0,0,0,0,0,0|4,0,0]=4 202 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,0,0,0,0,0|2,0,0]=2 203 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,0,0,0,0,0|3,0,0]=3 204 B8R0.8 CCNNC(=O)C(F)F 22a_100000756455_100000210393 [0,0,0,0,0,0|4,0,0]=4 205 B8R0.8 CCNNC(=O)C(O)O 22a_100000756455_100000233687 [0,0,0,0,0,0|4,0,0]=4 206 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,0,0,0,0,0|3,0,0]=3 207 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,0,0,0,0,0|3,0,0]=3 208 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,0,0,0,0,0|2,0,1]=3 209 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,0,0,0,0,0|1,0,0]=1 210 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,0,0,0,0,0|1,0,0]=1 211 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,0,0,0,0,0|2,0,0]=2 212 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,0,0,0,0,0|2,0,0]=2 213 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,0,0,0,0,0|2,0,0]=2 214 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,0,0,0,0,0|2,0,0]=2 215 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,0,0,0,0,0|2,0,0]=2 216 B8R0.8 CCOCN(C)C(C)C 269982a_200000211004_100000739092 [0,0,0,0,0,0|3,0,0]=3 217 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,0,0,0,0,0|2,0,1]=3 218 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,0,0,0,0,0|2,0,1]=3 219 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,0,0,0,0,0|2,0,1]=3 220 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,0,0,0,0,0|1,0,0]=1 221 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,0,0,0,0,0|1,0,0]=1 222 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,0,0,0,0,0|1,0,0]=1 223 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,0,0,0,0,0|2,0,0]=2 224 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,0,0,0,0,0|2,0,0]=2 225 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,0,0,0,0,0|2,0,0]=2 226 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,0,0,0,0,0|2,0,0]=2 227 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,0,0,0,0,0|2,0,0]=2 228 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,0,0,0,0,0|2,0,0]=2 229 B8R0.8 CCSCC(C)N(C)C 270004a_100102631434_200011216171 [0,0,0,0,0,0|3,0,1]=4 230 B8R0.8 CN(C)C(=O)CCC#N 11a_100102631434_100011934036 [0,0,0,0,0,0|2,0,1]=3 231 B8R0.8 CN(C)C(=O)CCC#N 1626a_100102631434_100011934036 [0,0,0,0,0,0|2,0,1]=3 232 B8R0.8 CN(C)C(=O)CCC#N 240690a_100102631434_100011934036 [0,0,0,0,0,0|2,0,1]=3 233 B8R0.8 CN(C)C(=O)CCC#N 527a_100102631434_100011934036 [0,0,0,0,0,0|2,0,1]=3 234 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,0,0,0,0,0|2,0,0]=2 235 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,0,0,0,0,0|2,0,0]=2 236 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,0,0,0,0,0|2,0,0]=2 237 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,0,0,0,0,0|2,0,0]=2 238 B8R0.8 CN(C)C(=O)CN=[N+]=[N-] 11a_100102631434_100000751907 [0,0,0,0,0,0|4,0,0]=4 239 B8R0.8 CN(C)C(=O)CN=[N+]=[N-] 240690a_100102631434_100000751907 [0,0,0,0,0,0|4,0,0]=4 240 B8R0.8 CN(C)C(=O)CSCF 62a_100000692301_100015361967 [0,0,0,0,0,0|3,0,0]=3 241 B8R0.8 CN(C)C(=O)CSCF 62a_100015361967_100000692301 [0,0,0,0,0,0|3,0,0]=3 242 B8R0.8 CN(C)C(=O)NCC#N 2708a_100000734998_100102631434 [0,0,0,0,0,0|3,0,1]=4 243 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,0,0,0,0,0|2,0,0]=2 244 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,0,0,0,0,0|2,0,0]=2 245 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,0,0,0,0,0|2,0,0]=2 246 B8R0.8 COC=CC(=O)C(C)C 1458a_100016268678_100000210206 [0,0,0,0,0,0|1,0,2]=3 247 B8R0.8 COC=CC(=O)N(C)C 1626a_100102631434_100016268678 [0,0,0,0,0,0|2,0,2]=4 248 B8R0.8 COC=CC(=O)N(C)C 240690a_100102631434_100016268678 [0,0,0,0,0,0|2,0,2]=4 249 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,0,0,0,0,0|1,0,0]=1 250 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,0,0,0,0,0|1,0,0]=1 251 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,0,0,0,0,0|2,0,0]=2 252 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,0,0,0,0,0|3,0,0]=3 253 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,0,0,0,0,0|2,0,0]=2 254 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,0,0,0,0,0|2,0,0]=2 255 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,0,0,0,0,0|2,0,0]=2 256 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,0,0,0,0,0|2,0,0]=2 257 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,0,0,0,0,0|2,0,0]=2 258 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,0,0,0,0,0|2,0,0]=2 259 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,0,0,0,0,0|2,0,0]=2 260 B8R0.8 COCCC(C)N(C)C 270004a_100102631434_100000742357 [0,0,0,0,0,0|3,0,1]=4 261 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,0,0,0,0,0|2,0,1]=3 262 B8R0.8 COCCN(C)C(C)C 2230a_100000743101_100000210206 [0,0,0,0,0,0|3,0,0]=3 263 B8R0.8 COCCN(C)C(C)C 2230a_200000223778_200000210301 [0,0,0,0,0,0|3,0,0]=3 264 B8R0.8 COCCN(C)C(C)C 269982a_100000743101_100000210206 [0,0,0,0,0,0|3,0,0]=3 265 B8R0.8 COCCN(C)C(C)C 269982a_200000211004_100000233755 [0,0,0,0,0,0|3,0,0]=3 266 B8R0.8 COCCN(C)C(C)C 269982a_200000223778_200000210301 [0,0,0,0,0,0|3,0,0]=3 267 B8R0.8 COCCN([13CH3])C(C)C 2230a_200000223778_200025704644 [0,0,0,0,0,0|3,0,0]=3 268 B8R0.8 COCCN([13CH3])C(C)C 269982a_200000223778_200025704644 [0,0,0,0,0,0|3,0,0]=3 269 B8R0.8 COCNC(C)C(C)C 2230a_100000211541_100000766300 [0,0,0,0,0,0|3,0,1]=4 270 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,0,0,0,0,0|1,0,0]=1 271 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,0,0,0,0,0|1,0,0]=1 272 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,0,0,0,0,0|2,0,0]=2 273 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,0,0,0,0,0|3,0,0]=3 274 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,0,0,0,0,0|2,0,0]=2 275 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,0,0,0,0,0|2,0,0]=2 276 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,0,0,0,0,0|2,0,0]=2 277 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,0,0,0,0,0|2,0,0]=2 278 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,0,0,0,0,0|2,0,0]=2 279 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,0,0,0,0,0|2,0,0]=2 280 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,0,0,0,0,0|2,0,0]=2 281 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,0,0,0,0,0|2,0,0]=2 282 B8R0.8 CSCCC(C)N(C)C 270004a_100102631434_100011217047 [0,0,0,0,0,0|3,0,1]=4 283 B8R0.8 CSCCN(C)C(C)C 2230a_100000686725_100000210206 [0,0,0,0,0,0|3,0,0]=3 284 B8R0.8 CSCCN(C)C(C)C 269982a_100000686725_100000210206 [0,0,0,0,0,0|3,0,0]=3 285 B8R0.8 CSCCN(C)C(C)C 269982a_200000211004_100000212216 [0,0,0,0,0,0|3,0,0]=3 286 B8R0.8 CSCNC(C)C(C)C 2230a_100000211541_100011218213 [0,0,0,0,0,0|3,0,1]=4 287 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,0,0,0,0,0|2,0,0]=2 288 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,0,0,0,0,0|2,0,0]=2 289 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,0,0,0,0,0|2,0,1]=3 290 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,0,0,0,0,0|2,0,0]=2 291 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,0,0,0,0,0|2,0,0]=2 292 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,0,0,0,0,0|3,0,0]=3 293 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,0,0,0,0,0|3,0,0]=3 294 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,0,0,0,0,0|2,0,1]=3 295 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,0,0,0,0,0|2,0,0]=2 296 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,0,0,0,0,0|2,0,0]=2 297 B8R0.8 C[C@H](O)C(=O)NCC#N 1626a_100000734998_217856618621 [0,0,0,0,0,0|3,0,1]=4 298 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,0,0,0,0,0|3,0,0]=3 299 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,0,0,0,0,0|3,0,0]=3 300 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,0,0,0,0,0|3,0,0]=3 301 B8R0.8 N#CCCC(=O)C(O)O 1458a_100000233687_100011215226 [0,0,0,0,0,0|3,0,1]=4 302 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,0,0,0,0,0|3,0,0]=3 303 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,0,0,0,0,0|3,0,0]=3 304 B8R0.8 O=C(NCCF)C(F)F 11a_100000724931_100000210393 [0,0,0,0,0,0|4,0,0]=4 305 B8R0.8 O=C(NCCF)C(F)F 1626a_100000724931_100000210393 [0,0,0,0,0,0|4,0,0]=4 306 B8R0.8 O=C(NCCF)C(F)F 240690a_100000724931_100000210393 [0,0,0,0,0,0|4,0,0]=4 307 B8R0.8 O=C(NCCF)C(F)F 527a_100000724931_100000210393 [0,0,0,0,0,0|4,0,0]=4 308 B8R0.8 O=C(NCCF)C(O)O 240690a_100000724931_100000233687 [0,0,0,0,0,0|4,0,0]=4 309 B8R0.8 O=C(NCCO)C(F)F 240690a_100000210304_100000210393 [0,0,0,0,0,0|4,0,0]=4 310 B8R0.8 O=C(NCCO)C(F)F 527a_100000210304_100000210393 [0,0,0,0,0,0|4,0,0]=4 311 B8R0.8 O=C(NCCO)C(O)O 240690a_100000210304_100000233687 [0,0,0,0,0,0|4,0,0]=4 312 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,0,0,0,0|0,0,2]=3 313 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [1,0,0,0,0,0|1,0,2]=4 314 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,0,0,0,0,0|1,0,2]=4 315 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,0,0,0,0,0|1,0,2]=4 316 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,0,0,0,0,0|1,0,2]=4 317 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,0,0,0,0|0,0,2]=3 318 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,0,0,0,0|0,0,2]=3 319 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [1,0,0,0,0,0|1,0,2]=4 320 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [1,0,0,0,0,0|1,0,2]=4 321 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [1,0,0,0,0,0|1,0,2]=4 322 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 323 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 324 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 325 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 326 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 327 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 328 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 329 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|0,0,2]=3 330 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,0,0,0,0,0|1,0,2]=4 331 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|0,0,2]=3 332 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,0,0,0,0,0|1,0,2]=4 333 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,0,0,0,0|1,0,2]=4 334 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,0,0,0,0|1,0,2]=4 335 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,0,0,0,0|1,0,2]=4 336 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,0,0,0,0|1,0,2]=4 337 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,0,0,0,0|1,0,2]=4 338 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,0,0,0,0|0,0,2]=3 339 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,0,0,0,0|0,0,2]=3 340 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [1,0,0,0,0,0|1,0,2]=4 341 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,0,0,0,0,0|1,0,2]=4 342 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,0,0,0,0,0|1,0,2]=4 343 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 344 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 345 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 346 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,0,0,0,0,0|1,0,2]=4 347 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,0,0,0,0,0|1,0,2]=4 348 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,0,0,0,0,0|1,0,2]=4 349 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,0,0,0,0,0|0,0,2]=3 350 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [1,0,0,0,0,0|1,0,2]=4 351 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|0,0,2]=3 352 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|0,0,2]=3 353 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,0,0,0,0,0|1,0,2]=4 354 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,0,0,0,0,0|1,0,2]=4 355 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,0,0,0,0|1,0,2]=4 356 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 357 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 358 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 359 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,0,0,0,0,0|2,0,1]=4 360 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,0,0,0,0|0,0,2]=3 361 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [1,0,0,0,0,0|1,0,2]=4 362 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [1,0,0,0,0,0|1,0,2]=4 363 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,0,0,0,0|1,0,2]=4 364 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,0,0,0,0|1,0,1]=3 365 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,0,0,0,0|1,0,1]=3 366 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|1,0,0]=2 367 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|1,0,0]=2 368 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|1,0,0]=2 369 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|1,0,0]=2 370 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|1,0,0]=2 371 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|1,0,0]=2 372 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,0,0,0,0,0|2,0,0]=3 373 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,0,0,0,0,0|2,0,0]=3 374 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,0,0,0,0,0|2,0,0]=3 375 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [1,0,0,0,0,0|2,0,1]=4 376 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [1,0,0,0,0,0|2,0,1]=4 377 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 378 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 379 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 380 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 381 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,0,0,0,0|2,0,0]=3 382 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,0,0,0,0|2,0,0]=3 383 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,0,0,0,0,0|2,0,1]=4 384 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,0,0,0,0,0|2,0,1]=4 385 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,0,0,0,0,0|2,0,1]=4 386 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,0,0,0,0,0|2,0,1]=4 387 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,0,0,0,0|0,0,2]=3 388 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,0,0,0,0,0|1,0,2]=4 389 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,0,0,0,0|1,0,2]=4 390 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,0,0,0,0|1,0,2]=4 391 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,0,0,0,0|1,0,2]=4 392 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|0,0,0]=1 393 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|0,0,0]=1 394 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|1,0,0]=2 395 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|1,0,0]=2 396 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|1,0,0]=2 397 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 398 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 399 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 400 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,0,0,0,0|2,0,1]=4 401 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 402 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,0,0,0,0|2,0,1]=4 403 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,0,0,0,0|2,0,1]=4 404 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 405 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,0,0,0,0|2,0,1]=4 406 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,0,0,0,0|2,0,1]=4 407 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,0,0,0,0|2,0,1]=4 408 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,0,0,0,0|2,0,1]=4 409 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,0,0,0,0|2,0,1]=4 410 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,0,0,0,0|2,0,1]=4 411 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,0,0,0,0|2,0,1]=4 412 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,0,0,0,0|2,0,1]=4 413 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,0,0,0,0|2,0,1]=4 414 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,0,0,0,0|2,0,1]=4 415 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,0,0,0,0,0|2,0,0]=3 416 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,0,0,0,0,0|2,0,0]=3 417 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,0,0,0,0,0|2,0,0]=3 418 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,0,0,0,0,0|2,0,0]=3 419 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,0,0,0,0,0|2,0,0]=3 420 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,0,0,0,0,0|2,0,0]=3 421 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [1,0,0,0,0,0|3,0,0]=4 422 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,0,0,0,0,0|2,0,0]=3 423 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,0,0,0,0,0|2,0,0]=3 424 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 425 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 426 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 427 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 428 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,0,0,0,0|2,0,0]=3 429 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,0,0,0,0|2,0,0]=3 430 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,0,0,0,0|2,0,0]=3 431 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 432 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 433 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 434 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 435 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,0,0,0,0|2,0,0]=3 436 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,0,0,0,0,0|2,0,1]=4 437 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,0,0,0,0,0|2,0,1]=4 438 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,0,0,0,0,0|2,0,1]=4 439 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,0,0,0,0,0|2,0,1]=4 440 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,0,0,0,0,0|2,0,1]=4 441 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [1,0,0,0,0,0|3,0,0]=4 442 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [1,0,0,0,0,0|3,0,0]=4 443 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [1,0,0,0,0,0|3,0,0]=4 444 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [1,0,0,0,0,0|3,0,0]=4 445 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [1,0,0,0,0,0|3,0,0]=4 446 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [1,0,0,0,0,0|3,0,0]=4 447 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [1,0,0,0,0,0|3,0,0]=4 448 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [1,0,0,0,0,0|3,0,0]=4 449 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [1,0,0,0,0,0|3,0,0]=4 450 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [1,0,0,0,0,0|3,0,0]=4 451 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [1,0,0,0,0,0|3,0,0]=4 452 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [1,0,0,0,0,0|3,0,0]=4 453 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [1,0,0,0,0,0|3,0,0]=4 454 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [1,0,0,0,0,0|3,0,0]=4 455 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [1,0,0,0,0,0|3,0,0]=4 456 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [1,0,0,0,0,0|3,0,0]=4 457 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [1,0,0,0,0,0|3,0,0]=4 458 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [1,0,0,0,0,0|3,0,0]=4 459 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,0,0,0,0,0|2,0,0]=3 460 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,0,0,0,0,0|2,0,0]=3 461 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,0,0,0,0|2,0,0]=3 462 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,0,0,0,0,0|2,0,1]=4 463 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,0,0,0,0,0|2,0,1]=4 464 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,0,0,0,0,0|2,0,1]=4 465 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [1,0,0,0,0,0|1,0,2]=4 466 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [1,0,0,0,0,0|1,0,2]=4 467 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,0,0,0,0,0|2,0,1]=4 468 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,0,0,0,0|2,0,0]=3 469 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,0,0,0,0,0|3,0,0]=4 470 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,0,0,0,0,0|3,0,0]=4 471 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,0,0,0,0,0|3,0,0]=4 472 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,0,0,0,0,0|3,0,0]=4 473 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|1,0,0]=2 474 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|1,0,0]=2 475 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,0,0,0,0,0|2,0,0]=3 476 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,0,0,0,0,0|2,0,0]=3 477 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 478 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 479 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,0,0,0,0,0|2,0,0]=3 480 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,0,0,0,0,0|2,0,0]=3 481 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 482 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,0,0,0,0|2,0,0]=3 483 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,0,0,0,0,0|2,0,1]=4 484 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,0,0,0,0,0|1,0,2]=4 485 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [1,0,0,0,0,0|3,0,0]=4 486 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,0,0,0,0,0|2,0,1]=4 487 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,0,0,0,0,0|2,0,1]=4 488 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|1,0,0]=2 489 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|1,0,0]=2 490 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|1,0,0]=2 491 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,0,0,0,0,0|2,0,0]=3 492 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,0,0,0,0,0|2,0,0]=3 493 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 494 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 495 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 496 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,0,0,0,0,0|2,0,0]=3 497 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,0,0,0,0,0|2,0,0]=3 498 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,0,0,0,0|2,0,0]=3 499 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,0,0,0,0|2,0,0]=3 500 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,0,0,0,0,0|2,0,1]=4 501 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,0,0,0,0,0|2,0,1]=4 502 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,0,0,0,0,0|1,0,2]=4 503 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,0,0,0,0,0|1,0,2]=4 504 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,0,0,0,0,0|2,0,1]=4 506 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [1,0,0,0,0,0|2,0,1]=4 507 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 508 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 509 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 510 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 511 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 512 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,0,0,0,0|2,0,0]=3 513 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 514 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 515 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,0,0,0,0|2,0,0]=3 516 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,0,0,0,0|2,0,0]=3 517 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 518 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,0,0,0,0|2,0,0]=3 519 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,0,0,0,0|2,0,0]=3 520 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 521 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 522 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 523 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,0,0,0,0|2,0,0]=3 524 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,0,0,0,0|2,0,0]=3 525 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,0,0,0,0|2,0,0]=3 526 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,0,0,0,0|2,0,0]=3 527 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [1,0,0,0,0,0|3,0,0]=4 528 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [1,0,0,0,0,0|3,0,0]=4 529 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [1,0,0,0,0,0|3,0,0]=4 530 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 531 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,0,0,0,0,0|3,0,0]=4 532 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 533 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,0,0,0,0,0|3,0,0]=4 534 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 535 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,0,0,0,0,0|3,0,0]=4 536 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 537 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,0,0,0,0,0|3,0,0]=4 538 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 539 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 540 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 541 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,0,0,0,0|2,0,0]=3 542 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 543 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|2,0,0]=3 544 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|2,0,0]=3 545 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|2,0,0]=3 546 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|2,0,0]=3 547 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|2,0,0]=3 548 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|2,0,0]=3 549 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|2,0,0]=3 550 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,0,0,0,0,0|3,0,0]=4 551 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,0,0,0,0,0|3,0,0]=4 552 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,0,0,0,0|3,0,0]=4 553 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,0,0,0,0|3,0,0]=4 554 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,0,0,0,0,0|2,0,0]=3 555 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|2,0,0]=3 556 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|2,0,0]=3 557 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,0,0,0,0|2,0,0]=3 558 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|2,0,0]=3 559 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [1,0,0,0,0,0|2,0,1]=4 560 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [1,0,0,0,0,0|2,0,1]=4 561 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,0,0,0,0|2,0,0]=3 562 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|2,0,0]=3 563 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [1,0,0,0,0,0|3,0,0]=4 564 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [1,0,0,0,0,0|3,0,0]=4 565 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,0,0,0,0,0|3,0,0]=4 566 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,0,0,0,0,0|3,0,0]=4 567 B7R0.4 C#CCCNC(C)C 2230a_100138425928_100000688953 [1,0,0,0,0,0|1,0,2]=4 568 B7R0.4 C#CCCNC(C)C 34a_100000755551_100000210206 [1,0,0,0,0,0|1,0,2]=4 569 B7R0.4 C#CCCNC(C)C 34a_100138425928_100000688953 [1,0,0,0,0,0|1,0,2]=4 570 B7R0.4 C#CCCOC(C)C 34a_100000212225_100000688953 [1,0,0,0,0,0|1,0,2]=4 571 B7R0.4 C#CCCOC(C)C 34a_100011215631_100000210206 [1,0,0,0,0,0|1,0,2]=4 572 B7R0.4 C#CCCSC(C)C 62a_100000210206_100000688953 [1,0,0,0,0,0|1,0,2]=4 573 B7R0.4 C#CCCSC(C)C 62a_100000688953_100000210206 [1,0,0,0,0,0|1,0,2]=4 574 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [1,0,0,0,0,0|1,0,2]=4 575 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [1,0,0,0,0,0|1,0,2]=4 576 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [1,0,0,0,0,0|1,0,2]=4 577 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [1,0,0,0,0,0|1,0,2]=4 578 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [1,0,0,0,0,0|1,0,2]=4 579 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [1,0,0,0,0,0|1,0,2]=4 580 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [1,0,0,0,0,0|1,0,2]=4 581 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [1,0,0,0,0,0|1,0,2]=4 582 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [1,0,0,0,0,0|1,0,2]=4 583 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [1,0,0,0,0,0|1,0,2]=4 584 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [1,0,0,0,0,0|1,0,2]=4 585 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [1,0,0,0,0,0|1,0,2]=4 586 B7R0.4 CC#CCNC(C)C 2230a_100000685387_100000210206 [1,0,0,0,0,0|1,0,2]=4 587 B7R0.4 CC#CCNC(C)C 2230a_100138425928_100000748600 [1,0,0,0,0,0|1,0,2]=4 588 B7R0.4 CC#CCNC(C)C 34a_100000685387_100000210206 [1,0,0,0,0,0|1,0,2]=4 589 B7R0.4 CC#CCNC(C)C 34a_100138425928_100000748600 [1,0,0,0,0,0|1,0,2]=4 590 B7R0.4 CC#CCOC(C)C 34a_100000212225_100000748600 [1,0,0,0,0,0|1,0,2]=4 591 B7R0.4 CC#CCOC(C)C 34a_100000761923_100000210206 [1,0,0,0,0,0|1,0,2]=4 592 B7R0.4 CC#CCSC(C)C 62a_100000210206_100000748600 [1,0,0,0,0,0|1,0,2]=4 593 B7R0.4 CC#CCSC(C)C 62a_100000748600_100000210206 [1,0,0,0,0,0|1,0,2]=4 594 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,0,0,0,0,0|1,0,1]=3 595 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,0,0,0,0,0|1,0,1]=3 596 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [1,0,0,0,0,0|2,0,1]=4 597 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [1,0,0,0,0,0|2,0,1]=4 598 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [1,0,0,0,0,0|2,0,1]=4 599 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [1,0,0,0,0,0|2,0,1]=4 600 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,0,0,0,0,0|1,0,1]=3 601 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,0,0,0,0,0|1,0,1]=3 602 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,0,0,0,0,0|1,0,1]=3 603 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,0,0,0,0,0|1,0,1]=3 604 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,0,0,0,0,0|1,0,1]=3 605 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,0,0,0,0,0|1,0,1]=3 606 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [1,0,0,0,0,0|2,0,1]=4 607 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [1,0,0,0,0,0|2,0,1]=4 608 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [1,0,0,0,0,0|2,0,1]=4 609 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [1,0,0,0,0,0|2,0,1]=4 610 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [1,0,0,0,0,0|2,0,1]=4 611 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [1,0,0,0,0,0|2,0,1]=4 612 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [1,0,0,0,0,0|2,0,1]=4 613 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,0,0,0,0,0|2,0,1]=4 614 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,0,0,0,0,0|2,0,1]=4 615 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,0,0,0,0,0|2,0,1]=4 616 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,0,0,0,0,0|2,0,1]=4 617 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,0,0,0,0,0|2,0,1]=4 618 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [1,0,0,0,0,0|2,0,1]=4 619 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [1,0,0,0,0,0|2,0,1]=4 620 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [1,0,0,0,0,0|2,0,1]=4 621 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,0,0,0,0,0|2,0,1]=4 622 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [1,0,0,0,0,0|2,0,1]=4 623 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [1,0,0,0,0,0|2,0,1]=4 624 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,0,0,0,0,0|2,0,1]=4 625 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,0,0,0,0,0|2,0,1]=4 626 B7R0.4 CC(C)NCCC#N 2230a_100138425928_100011215226 [1,0,0,0,0,0|2,0,1]=4 627 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [1,0,0,0,0,0|2,0,0]=3 628 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [1,0,0,0,0,0|2,0,0]=3 629 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [1,0,0,0,0,0|2,0,0]=3 630 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [1,0,0,0,0,0|2,0,0]=3 631 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [1,0,0,0,0,0|2,0,0]=3 632 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [1,0,0,0,0,0|2,0,0]=3 633 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [1,0,0,0,0,0|2,0,0]=3 634 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,0,0,0,0,0|2,0,0]=3 635 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,0,0,0,0,0|2,0,0]=3 636 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,0,0,0,0,0|2,0,0]=3 637 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,0,0,0,0,0|2,0,0]=3 638 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,0,0,0,0,0|2,0,0]=3 639 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,0,0,0,0,0|2,0,0]=3 640 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [1,0,0,0,0,0|2,0,0]=3 641 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [1,0,0,0,0,0|2,0,0]=3 642 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [1,0,0,0,0,0|3,0,0]=4 643 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [1,0,0,0,0,0|2,0,0]=3 644 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [1,0,0,0,0,0|2,0,0]=3 645 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,0,0,0,0,0|2,0,0]=3 646 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,0,0,0,0,0|2,0,0]=3 647 B7R0.4 CC(C)OCSCF 62a_100000709892_100015361967 [1,0,0,0,0,0|3,0,0]=4 648 B7R0.4 CC(C)OCSCF 62a_100015361967_100000709892 [1,0,0,0,0,0|3,0,0]=4 649 B7R0.4 CC(C)SCCC#N 62a_100000210206_100011215226 [1,0,0,0,0,0|2,0,1]=4 650 B7R0.4 CC(C)SCCC#N 62a_100011215226_100000210206 [1,0,0,0,0,0|2,0,1]=4 651 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [1,0,0,0,0,0|2,0,0]=3 652 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [1,0,0,0,0,0|2,0,0]=3 653 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [1,0,0,0,0,0|2,0,0]=3 654 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [1,0,0,0,0,0|2,0,0]=3 655 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [1,0,0,0,0,0|2,0,0]=3 656 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [1,0,0,0,0,0|2,0,0]=3 657 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [1,0,0,0,0,0|2,0,0]=3 658 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [1,0,0,0,0,0|2,0,0]=3 659 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [1,0,0,0,0,0|2,0,0]=3 660 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [1,0,0,0,0,0|2,0,0]=3 661 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|2,0,1]=4 662 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|2,0,1]=4 663 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [1,0,0,0,0,0|1,0,2]=4 664 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [1,0,0,0,0,0|1,0,2]=4 665 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [1,0,0,0,0,0|1,0,2]=4 666 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [1,0,0,0,0,0|1,0,2]=4 667 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [1,0,0,0,0,0|1,0,2]=4 668 B7R0.4 CCC=NNC(C)C 4a_100000741168_100000210100 [1,0,0,0,0,0|2,0,1]=4 669 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|1,0,2]=4 670 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|1,0,2]=4 671 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|1,0,2]=4 672 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|1,0,2]=4 673 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|1,0,2]=4 674 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|1,0,1]=3 675 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|1,0,1]=3 676 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|1,0,1]=3 677 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|1,0,1]=3 678 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|1,0,1]=3 679 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|1,0,1]=3 680 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|2,0,1]=4 681 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|2,0,1]=4 682 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|2,0,1]=4 683 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|2,0,1]=4 684 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,0,0,0,0,0|1,0,0]=2 685 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,0,0,0,0,0|1,0,0]=2 686 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,0,0,0,0,0|1,0,0]=2 687 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,0,0,0,0,0|1,0,0]=2 688 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,0,0,0,0|1,0,0]=2 689 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,0,0,0,0|1,0,0]=2 690 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,0,0,0,0|1,0,0]=2 691 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,0,0,0,0,0|1,0,0]=2 692 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,0,0,0,0,0|1,0,0]=2 693 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,0,0,0,0,0|1,0,1]=3 694 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,0,0,0,0,0|1,0,1]=3 695 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,0,0,0,0,0|1,0,1]=3 696 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 697 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 698 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,0,0,0,0,0|2,0,1]=4 699 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,0,0,0,0,0|1,0,1]=3 700 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,0,0,0,0,0|1,0,1]=3 701 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,0,0,0,0,0|2,0,1]=4 702 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|2,0,1]=4 703 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,0,0,0,0,0|2,0,1]=4 704 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,0,0,0,0,0|2,0,1]=4 705 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|2,0,1]=4 706 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,0,0,0,0,0|1,0,1]=3 707 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,0,0,0,0,0|1,0,1]=3 708 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|2,0,1]=4 709 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|2,0,1]=4 710 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|2,0,1]=4 711 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|2,0,1]=4 712 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,0,0,0,0,0|1,0,1]=3 713 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,0,0,0,0,0|1,0,1]=3 714 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,0,0,0,0,0|1,0,1]=3 715 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,0,0,0,0,0|1,0,1]=3 716 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|2,0,1]=4 717 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|2,0,1]=4 718 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [1,0,0,0,0,0|2,0,0]=3 719 B7R0.4 CCNN=CC(C)C 4a_100000756455_100000210432 [1,0,0,0,0,0|2,0,0]=3 720 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,0,0,0,0,0|1,0,1]=3 721 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,0,0,0,0,0|1,0,1]=3 722 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,0,0,0,0,0|2,0,1]=4 723 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,0,0,0,0,0|1,0,1]=3 724 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,0,0,0,0,0|1,0,1]=3 725 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,0,0,0,0,0|1,0,1]=3 726 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|2,0,1]=4 727 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,0,0,0,0,0|2,0,1]=4 728 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,0,0,0,0,0|2,0,1]=4 729 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,0,0,0,0,0|2,0,1]=4 730 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [1,0,0,0,0,0|2,0,0]=3 731 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [1,0,0,0,0,0|2,0,0]=3 732 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [1,0,0,0,0,0|2,0,0]=3 733 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,0,0,0,0,0|1,0,1]=3 734 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,0,0,0,0,0|1,0,1]=3 735 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,0,0,0,0,0|1,0,1]=3 736 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,0,0,0,0,0|1,0,1]=3 737 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|2,0,1]=4 738 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|2,0,1]=4 739 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,0,0,0,0,0|2,0,1]=4 740 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,0,0,0,0,0|2,0,1]=4 741 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,0,0,0,0,0|2,0,1]=4 742 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [1,0,0,0,0,0|2,0,0]=3 743 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [1,0,0,0,0,0|2,0,0]=3 744 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [1,0,0,0,0,0|2,0,1]=4 745 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [1,0,0,0,0,0|2,0,1]=4 746 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [1,0,0,0,0,0|2,0,1]=4 747 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [1,0,0,0,0,0|2,0,1]=4 748 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [1,0,0,0,0,0|2,0,1]=4 749 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [1,0,0,0,0,0|2,0,1]=4 750 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,0,0,0,0,0|2,0,1]=4 751 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [1,0,0,0,0,0|2,0,1]=4 752 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [1,0,0,0,0,0|2,0,1]=4 753 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,0,0,0,0,0|1,0,1]=3 754 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,0,0,0,0,0|1,0,1]=3 755 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,0,0,0,0,0|1,0,1]=3 756 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,0,0,0,0,0|1,0,1]=3 757 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,0,0,0,0,0|1,0,1]=3 758 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,0,0,0,0,0|1,0,1]=3 759 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,0,0,0,0,0|1,0,1]=3 760 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,0,0,0,0,0|1,0,1]=3 761 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 762 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|2,0,1]=4 763 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 764 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [1,0,0,0,0,0|2,0,1]=4 765 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [1,0,0,0,0,0|2,0,0]=3 766 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [1,0,0,0,0,0|2,0,0]=3 767 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [1,0,0,0,0,0|2,0,0]=3 768 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [1,0,0,0,0,0|2,0,0]=3 769 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [1,0,0,0,0,0|2,0,0]=3 770 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [1,0,0,0,0,0|2,0,0]=3 771 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [1,0,0,0,0,0|2,0,0]=3 772 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [1,0,0,0,0,0|2,0,0]=3 773 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [1,0,0,0,0,0|2,0,0]=3 774 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [1,0,0,0,0,0|2,0,0]=3 775 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,0,0,0,0,0|1,0,1]=3 776 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,0,0,0,0,0|1,0,1]=3 777 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,0,0,0,0,0|1,0,1]=3 778 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,0,0,0,0,0|1,0,1]=3 779 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|2,0,1]=4 780 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,0,0,0,0,0|2,0,1]=4 781 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,0,0,0,0,0|2,0,1]=4 782 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,0,0,0,0,0|2,0,1]=4 783 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,0,0,0,0,0|2,0,1]=4 784 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,0,0,0,0,0|2,0,1]=4 785 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,0,0,0,0,0|2,0,1]=4 786 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [1,0,0,0,0,0|2,0,0]=3 787 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [1,0,0,0,0,0|2,0,0]=3 788 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [1,0,0,0,0,0|2,0,0]=3 789 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [1,0,0,0,0,0|2,0,0]=3 790 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [1,0,0,0,0,0|2,0,0]=3 791 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [1,0,0,0,0,0|2,0,0]=3 792 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [1,0,0,0,0,0|2,0,0]=3 793 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [1,0,0,0,0,0|2,0,0]=3 794 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [1,0,0,0,0,0|2,0,0]=3 795 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [1,0,0,0,0,0|2,0,0]=3 796 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [1,0,0,0,0,0|2,0,0]=3 797 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [1,0,0,0,0,0|2,0,0]=3 798 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [1,0,0,0,0,0|2,0,0]=3 799 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [1,0,0,0,0,0|2,0,0]=3 800 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [1,0,0,0,0,0|2,0,1]=4 801 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [1,0,0,0,0,0|2,0,1]=4 802 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [1,0,0,0,0,0|2,0,1]=4 803 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,0,0,0,0,0|1,0,1]=3 804 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,0,0,0,0,0|1,0,1]=3 805 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,0,0,0,0,0|1,0,1]=3 806 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,0,0,0,0,0|1,0,1]=3 807 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|2,0,1]=4 808 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|2,0,1]=4 809 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,0,0,0,0,0|2,0,1]=4 810 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [1,0,0,0,0,0|2,0,0]=3 811 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [1,0,0,0,0,0|2,0,0]=3 812 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [1,0,0,0,0,0|2,0,0]=3 813 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,0,0,0,0,0|2,0,0]=3 814 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,0,0,0,0,0|2,0,0]=3 815 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,0,0,0,0,0|2,0,0]=3 816 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,0,0,0,0,0|2,0,0]=3 817 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,0,0,0,0,0|2,0,0]=3 818 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [1,0,0,0,0,0|2,0,0]=3 819 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [1,0,0,0,0,0|2,0,0]=3 820 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [1,0,0,0,0,0|2,0,0]=3 821 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [1,0,0,0,0,0|2,0,0]=3 822 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [1,0,0,0,0,0|2,0,1]=4 823 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [1,0,0,0,0,0|2,0,1]=4 824 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,0,0,0,0,0|2,0,1]=4 825 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,0,0,0,0,0|2,0,1]=4 826 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,0,0,0,0,0|2,0,1]=4 827 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [1,0,0,0,0,0|0,0,2]=3 828 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [1,0,0,0,0,0|0,0,2]=3 829 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [1,0,0,0,0,0|1,0,2]=4 830 B7R0.5 C#CCC(=O)N(C)C 1626a_100102631434_100011220946 [1,0,0,0,0,0|1,0,2]=4 831 B7R0.5 C#CCC(=O)N(C)C 527a_100102631434_100011220946 [1,0,0,0,0,0|1,0,2]=4 832 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [1,0,0,0,0,0|1,0,2]=4 833 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [1,0,0,0,0,0|1,0,2]=4 834 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,0,0,0,0,0|0,0,2]=3 835 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,0,0,0,0,0|1,0,2]=4 836 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,0,0,0,0,0|1,0,2]=4 837 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,0,0,0,0,0|1,0,2]=4 838 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,0,0,0,0,0|0,0,2]=3 839 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,0,0,0,0,0|0,0,2]=3 840 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [1,0,0,0,0,0|1,0,2]=4 841 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [1,0,0,0,0,0|1,0,2]=4 842 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [1,0,0,0,0,0|1,0,2]=4 843 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [1,0,0,0,0,0|1,0,2]=4 844 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [1,0,0,0,0,0|1,0,2]=4 845 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [1,0,0,0,0,0|1,0,2]=4 846 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [1,0,0,0,0,0|1,0,2]=4 847 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [1,0,0,0,0,0|0,0,2]=3 848 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,0,0,0,0,0|2,0,1]=4 849 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,0,0,0,0,0|2,0,1]=4 850 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [1,0,0,0,0,0|1,0,2]=4 851 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [1,0,0,0,0,0|1,0,2]=4 852 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [1,0,0,0,0,0|1,0,2]=4 853 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [1,0,0,0,0,0|1,0,1]=3 854 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [1,0,0,0,0,0|1,0,1]=3 855 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [1,0,0,0,0,0|1,0,0]=2 856 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,0,0,0,0,0|1,0,0]=2 857 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,0,0,0,0,0|1,0,0]=2 858 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,0,0,0,0,0|1,0,0]=2 859 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,0,0,0,0,0|1,0,0]=2 860 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [1,0,0,0,0,0|1,0,2]=4 861 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [1,0,0,0,0,0|1,0,2]=4 862 B7R0.5 CC(C)N(C)CCF 269982a_200000211004_100011217306 [1,0,0,0,0,0|3,0,0]=4 863 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [1,0,0,0,0,0|3,0,0]=4 864 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [1,0,0,0,0,0|3,0,0]=4 865 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [1,0,0,0,0,0|3,0,0]=4 866 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [1,0,0,0,0,0|3,0,0]=4 867 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [1,0,0,0,0,0|3,0,0]=4 868 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [1,0,0,0,0,0|3,0,0]=4 869 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [1,0,0,0,0,0|3,0,0]=4 870 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [1,0,0,0,0,0|2,0,1]=4 871 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [1,0,0,0,0,0|2,0,1]=4 872 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [1,0,0,0,0,0|2,0,0]=3 873 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,0,0,0,0,0|2,0,0]=3 874 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,0,0,0,0,0|0,0,2]=3 875 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [1,0,0,0,0,0|1,0,2]=4 876 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [1,0,0,0,0,0|1,0,2]=4 877 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [1,0,0,0,0,0|1,0,2]=4 878 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,0,0,0,0,0|0,0,0]=1 879 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,0,0,0,0,0|0,0,0]=1 880 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,0,0,0,0,0|1,0,0]=2 881 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,0,0,0,0,0|2,0,0]=3 882 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,0,0,0,0,0|1,0,0]=2 883 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,0,0,0,0,0|1,0,0]=2 884 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,0,0,0,0,0|1,0,0]=2 885 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,0,0,0,0,0|1,0,0]=2 886 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,0,0,0,0,0|1,0,0]=2 887 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,0,0,0,0,0|1,0,0]=2 888 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [1,0,0,0,0,0|2,0,1]=4 889 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [1,0,0,0,0,0|2,0,1]=4 890 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [1,0,0,0,0,0|2,0,1]=4 891 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [1,0,0,0,0,0|2,0,0]=3 892 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [1,0,0,0,0,0|2,0,0]=3 893 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [1,0,0,0,0,0|2,0,0]=3 894 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [1,0,0,0,0,0|2,0,0]=3 895 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [1,0,0,0,0,0|2,0,0]=3 896 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [1,0,0,0,0,0|2,0,0]=3 897 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [1,0,0,0,0,0|2,0,0]=3 898 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,0,0,0,0,0|2,0,1]=4 899 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,0,0,0,0,0|2,0,1]=4 900 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,0,0,0,0,0|1,0,0]=2 901 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,0,0,0,0,0|1,0,0]=2 902 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,0,0,0,0,0|1,0,0]=2 903 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,0,0,0,0,0|2,0,0]=3 904 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,0,0,0,0,0|2,0,0]=3 905 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,0,0,0,0,0|2,0,0]=3 906 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [1,0,0,0,0,0|3,0,0]=4 907 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [1,0,0,0,0,0|3,0,0]=4 908 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [1,0,0,0,0,0|3,0,0]=4 909 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [1,0,0,0,0,0|3,0,0]=4 910 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [1,0,0,0,0,0|2,0,0]=3 911 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,0,0,0,0,0|2,0,0]=3 912 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,0,0,0,0,0|2,0,0]=3 913 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [1,0,0,0,0,0|2,0,1]=4 914 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [1,0,0,0,0,0|2,0,1]=4 915 B7R0.5 CN(C)C(=O)CC#N 1626a_100102631434_100051588842 [1,0,0,0,0,0|2,0,1]=4 916 B7R0.5 CN(C)C(=O)CC#N 240690a_100102631434_100051588842 [1,0,0,0,0,0|2,0,1]=4 917 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [1,0,0,0,0,0|2,0,0]=3 918 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [1,0,0,0,0,0|2,0,0]=3 919 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [1,0,0,0,0,0|2,0,0]=3 920 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [1,0,0,0,0,0|2,0,0]=3 921 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,0,0,0,0,0|2,0,1]=4 922 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [1,0,0,0,0,0|1,0,0]=2 923 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [1,0,0,0,0,0|1,0,0]=2 924 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [1,0,0,0,0,0|1,0,0]=2 925 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [1,0,0,0,0,0|2,0,0]=3 926 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [1,0,0,0,0,0|2,0,0]=3 927 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [1,0,0,0,0,0|2,0,0]=3 928 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [1,0,0,0,0,0|2,0,0]=3 929 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [1,0,0,0,0,0|1,0,2]=4 930 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [1,0,0,0,0,0|1,0,2]=4 931 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [1,0,0,0,0,0|2,0,0]=3 932 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [1,0,0,0,0,0|3,0,0]=4 933 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [1,0,0,0,0,0|3,0,0]=4 934 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [1,0,0,0,0,0|3,0,0]=4 935 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,0,0,0,0,0|2,0,1]=4 936 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,0,0,0,0,0|1,0,0]=2 937 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,0,0,0,0,0|1,0,0]=2 938 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [1,0,0,0,0,0|2,0,0]=3 939 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [1,0,0,0,0,0|2,0,0]=3 940 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [1,0,0,0,0,0|2,0,0]=3 941 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [1,0,0,0,0,0|2,0,0]=3 942 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [1,0,0,0,0,0|2,0,0]=3 943 B7R0.5 COCN(C)C(C)C 269982a_200000211004_100000766300 [1,0,0,0,0,0|3,0,0]=4 944 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [1,0,0,0,0,0|2,0,1]=4 945 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,0,0,0,0,0|2,0,1]=4 946 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,0,0,0,0,0|2,0,1]=4 947 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,0,0,0,0,0|1,0,0]=2 948 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,0,0,0,0,0|1,0,0]=2 949 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,0,0,0,0,0|1,0,0]=2 950 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [1,0,0,0,0,0|2,0,0]=3 951 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [1,0,0,0,0,0|2,0,0]=3 952 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [1,0,0,0,0,0|2,0,0]=3 953 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [1,0,0,0,0,0|2,0,0]=3 954 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [1,0,0,0,0,0|2,0,0]=3 955 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [1,0,0,0,0,0|2,0,0]=3 956 B7R0.5 CSCN(C)C(C)C 269982a_200000211004_100011218213 [1,0,0,0,0,0|3,0,0]=4 957 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [1,0,0,0,0,0|2,0,1]=4 958 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,0,0,0,0,0|2,0,0]=3 959 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,0,0,0,0,0|2,0,0]=3 960 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [1,0,0,0,0,0|2,0,1]=4 961 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,0,0,0,0,0|2,0,0]=3 962 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,0,0,0,0,0|2,0,0]=3 963 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [1,0,0,0,0,0|3,0,0]=4 964 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [1,0,0,0,0,0|3,0,0]=4 965 B9R0.3 C#CCCC(=O)C(C)(C)C 1458a_106744555173_100000753159 [0,1,0,0,0,0|0,0,2]=3 966 B9R0.3 C#CCCC(=O)C(C)(C)F 1458a_100000765255_100000753159 [0,1,0,0,0,0|0,0,2]=3 967 B9R0.3 C#CCCC(=O)C(C)(C)O 1458a_100000242741_100000753159 [0,1,0,0,0,0|0,0,2]=3 968 B9R0.3 C#CCNC(=O)C(C)(C)C 11a_100000212058_106744555173 [0,1,0,0,0,0|1,0,2]=4 969 B9R0.3 C#CCNC(=O)C(C)(C)C 1626a_100000212058_106744555173 [0,1,0,0,0,0|1,0,2]=4 970 B9R0.3 C#CCNC(=O)C(C)(C)C 240690a_100000212058_106744555173 [0,1,0,0,0,0|1,0,2]=4 971 B9R0.3 C#CCNC(=O)C(C)(C)C 527a_100000212058_106744555173 [0,1,0,0,0,0|1,0,2]=4 972 B9R0.3 C#CCNC(=O)C(C)(C)F 11a_100000212058_100000765255 [0,1,0,0,0,0|1,0,2]=4 973 B9R0.3 C#CCNC(=O)C(C)(C)F 1626a_100000212058_100000765255 [0,1,0,0,0,0|1,0,2]=4 974 B9R0.3 C#CCNC(=O)C(C)(C)F 240690a_100000212058_100000765255 [0,1,0,0,0,0|1,0,2]=4 975 B9R0.3 C#CCNC(=O)C(C)(C)F 527a_100000212058_100000765255 [0,1,0,0,0,0|1,0,2]=4 976 B9R0.3 C#CCNC(=O)C(C)(C)O 240690a_100000212058_100000242741 [0,1,0,0,0,0|1,0,2]=4 977 B9R0.3 C/C=C/CC(=O)C(C)(C)C 1458a_106744555173_100102629194 [0,1,0,0,0,0|0,0,2]=3 978 B9R0.3 C/C=C/CC(=O)C(C)(C)F 1458a_100000765255_100102629194 [0,1,0,0,0,0|0,0,2]=3 979 B9R0.3 C/C=C/CC(=O)C(C)(C)O 1458a_100000242741_100102629194 [0,1,0,0,0,0|0,0,2]=3 980 B9R0.3 C=CCCC(=O)C(C)(C)C 1458a_106744555173_100000754431 [0,1,0,0,0,0|0,0,2]=3 981 B9R0.3 C=CCCC(=O)C(C)(C)F 1458a_100000765255_100000754431 [0,1,0,0,0,0|0,0,2]=3 982 B9R0.3 C=CCCC(=O)C(C)(C)O 1458a_100000242741_100000754431 [0,1,0,0,0,0|0,0,2]=3 983 B9R0.3 C=CCNC(=O)C(C)(C)C 1626a_100020586998_106744555173 [0,1,0,0,0,0|1,0,2]=4 984 B9R0.3 C=CCNC(=O)C(C)(C)C 240690a_100020586998_106744555173 [0,1,0,0,0,0|1,0,2]=4 985 B9R0.3 C=CCNC(=O)C(C)(C)C 527a_100020586998_106744555173 [0,1,0,0,0,0|1,0,2]=4 986 B9R0.3 C=CCNC(=O)C(C)(C)F 1626a_100020586998_100000765255 [0,1,0,0,0,0|1,0,2]=4 987 B9R0.3 C=CCNC(=O)C(C)(C)F 240690a_100020586998_100000765255 [0,1,0,0,0,0|1,0,2]=4 988 B9R0.3 C=CCNC(=O)C(C)(C)F 527a_100020586998_100000765255 [0,1,0,0,0,0|1,0,2]=4 989 B9R0.3 C=CCNC(=O)C(C)(C)O 240690a_100020586998_100000242741 [0,1,0,0,0,0|1,0,2]=4 990 B9R0.3 CC#CCC(=O)C(C)(C)C 1458a_106744555173_100000748600 [0,1,0,0,0,0|0,0,2]=3 991 B9R0.3 CC#CCC(=O)C(C)(C)F 1458a_100000765255_100000748600 [0,1,0,0,0,0|0,0,2]=3 992 B9R0.3 CC#CCC(=O)C(C)(C)O 1458a_100000242741_100000748600 [0,1,0,0,0,0|0,0,2]=3 993 B9R0.3 CC(C)(C)C(=O)CCC#N 1458a_106744555173_100011215226 [0,1,0,0,0,0|1,0,1]=3 994 B9R0.3 CC(C)(C)C(=O)CCCF 1458a_106744555173_100011934791 [0,1,0,0,0,0|1,0,0]=2 995 B9R0.3 CC(C)(C)C(=O)CCCO 1458a_106744555173_100011215043 [0,1,0,0,0,0|1,0,0]=2 996 B9R0.3 CC(C)(C)C(=O)COCF 34a_200011592769_100015361967 [0,1,0,0,0,0|2,0,0]=3 997 B9R0.3 CC(C)(C)C(=O)COCF 7a_200011592769_100015361967 [0,1,0,0,0,0|2,0,0]=3 998 B9R0.3 CC(C)(C)C(=O)CSCF 62a_100000210923_100015361967 [0,1,0,0,0,0|2,0,0]=3 999 B9R0.3 CC(C)(C)C(=O)CSCF 62a_100015361967_100000210923 [0,1,0,0,0,0|2,0,0]=3 1000 B9R0.3 CC(C)(C)C(=O)NCC#N 1626a_100000734998_106744555173 [0,1,0,0,0,0|2,0,1]=4 1001 B9R0.3 CC(C)(C)C(=O)NCC#N 527a_100000734998_106744555173 [0,1,0,0,0,0|2,0,1]=4 1002 B9R0.3 CC(C)(C)C(=O)NCCF 11a_100000724931_106744555173 [0,1,0,0,0,0|2,0,0]=3 1003 B9R0.3 CC(C)(C)C(=O)NCCF 1626a_100000724931_106744555173 [0,1,0,0,0,0|2,0,0]=3 1004 B9R0.3 CC(C)(C)C(=O)NCCF 240690a_100000724931_106744555173 [0,1,0,0,0,0|2,0,0]=3 1005 B9R0.3 CC(C)(C)C(=O)NCCF 527a_100000724931_106744555173 [0,1,0,0,0,0|2,0,0]=3 1006 B9R0.3 CC(C)(C)C(=O)NCCO 240690a_100000210304_106744555173 [0,1,0,0,0,0|2,0,0]=3 1007 B9R0.3 CC(C)(C)C(=O)NCCO 527a_100000210304_106744555173 [0,1,0,0,0,0|2,0,0]=3 1008 B9R0.3 CC(C)(C)C(=O)OCS[13CH3] 62a_100000032063_200025704644 [0,1,0,0,0,0|2,0,0]=3 1009 B9R0.3 CC(C)(C)C(=O)OCS[13CH3] 62a_200025704644_100000032063 [0,1,0,0,0,0|2,0,0]=3 1010 B9R0.3 CC(C)(F)C(=O)CCC#N 1458a_100000765255_100011215226 [0,1,0,0,0,0|1,0,1]=3 1011 B9R0.3 CC(C)(F)C(=O)CCCF 1458a_100000765255_100011934791 [0,1,0,0,0,0|1,0,0]=2 1012 B9R0.3 CC(C)(F)C(=O)CCCO 1458a_100000765255_100011215043 [0,1,0,0,0,0|1,0,0]=2 1013 B9R0.3 CC(C)(F)C(=O)NCC#N 1626a_100000734998_100000765255 [0,1,0,0,0,0|2,0,1]=4 1014 B9R0.3 CC(C)(F)C(=O)NCC#N 527a_100000734998_100000765255 [0,1,0,0,0,0|2,0,1]=4 1015 B9R0.3 CC(C)(F)C(=O)NCCF 11a_100000724931_100000765255 [0,1,0,0,0,0|2,0,0]=3 1016 B9R0.3 CC(C)(F)C(=O)NCCF 1626a_100000724931_100000765255 [0,1,0,0,0,0|2,0,0]=3 1017 B9R0.3 CC(C)(F)C(=O)NCCF 240690a_100000724931_100000765255 [0,1,0,0,0,0|2,0,0]=3 1018 B9R0.3 CC(C)(F)C(=O)NCCF 527a_100000724931_100000765255 [0,1,0,0,0,0|2,0,0]=3 1019 B9R0.3 CC(C)(F)C(=O)NCCO 240690a_100000210304_100000765255 [0,1,0,0,0,0|2,0,0]=3 1020 B9R0.3 CC(C)(F)C(=O)NCCO 527a_100000210304_100000765255 [0,1,0,0,0,0|2,0,0]=3 1021 B9R0.3 CC(C)(O)C(=O)CCC#N 1458a_100000242741_100011215226 [0,1,0,0,0,0|1,0,1]=3 1022 B9R0.3 CC(C)(O)C(=O)CCCF 1458a_100000242741_100011934791 [0,1,0,0,0,0|1,0,0]=2 1023 B9R0.3 CC(C)(O)C(=O)CCCO 1458a_100000242741_100011215043 [0,1,0,0,0,0|1,0,0]=2 1024 B9R0.3 CC(C)(O)C(=O)NCCF 240690a_100000724931_100000242741 [0,1,0,0,0,0|2,0,0]=3 1025 B9R0.3 CC(C)(O)C(=O)NCCO 240690a_100000210304_100000242741 [0,1,0,0,0,0|2,0,0]=3 1026 B9R0.3 CC(F)(F)C(=O)NCCF 11a_100000724931_100000042251 [0,1,0,0,0,0|3,0,0]=4 1027 B9R0.3 CC(F)(F)C(=O)NCCF 1626a_100000724931_100000042251 [0,1,0,0,0,0|3,0,0]=4 1028 B9R0.3 CC(F)(F)C(=O)NCCF 240690a_100000724931_100000042251 [0,1,0,0,0,0|3,0,0]=4 1029 B9R0.3 CC(F)(F)C(=O)NCCF 527a_100000724931_100000042251 [0,1,0,0,0,0|3,0,0]=4 1030 B9R0.3 CC(F)(F)C(=O)NCCO 240690a_100000210304_100000042251 [0,1,0,0,0,0|3,0,0]=4 1031 B9R0.3 CC(F)(F)C(=O)NCCO 527a_100000210304_100000042251 [0,1,0,0,0,0|3,0,0]=4 1032 B9R0.3 CC=CCC(=O)C(C)(C)C 1458a_106744555173_100000070051 [0,1,0,0,0,0|0,0,2]=3 1033 B9R0.3 CC=CCC(=O)C(C)(C)F 1458a_100000765255_100000070051 [0,1,0,0,0,0|0,0,2]=3 1034 B9R0.3 CC=CCC(=O)C(C)(C)O 1458a_100000242741_100000070051 [0,1,0,0,0,0|0,0,2]=3 1035 B9R0.3 CC=NNC(=O)C(C)(C)C 4a_100000189767_200000210099 [0,1,0,0,0,0|2,0,1]=4 1036 B9R0.3 CCCCC(=O)C(C)(C)C 1458a_106744555173_100000210211 [0,1,0,0,0,0|0,0,0]=1 1037 B9R0.3 CCCCC(=O)C(C)(C)F 1458a_100000765255_100000210211 [0,1,0,0,0,0|0,0,0]=1 1038 B9R0.3 CCCCC(=O)C(C)(C)O 1458a_100000242741_100000210211 [0,1,0,0,0,0|0,0,0]=1 1039 B9R0.3 CCCCC(=O)C(F)(F)F 1458a_100000210183_200000243211 [0,1,0,0,0,0|2,0,0]=3 1040 B9R0.3 CCCCC(=O)C(F)(F)F 1458a_100015355933_100000210211 [0,1,0,0,0,0|2,0,0]=3 1041 B9R0.3 CCCCN(C)C(C)(C)C 269982a_100000207549_100000210625 [0,1,0,0,0,0|2,0,0]=3 1042 B9R0.3 CCCCN(C)C(C)(C)C 269982a_100011215553_100000210211 [0,1,0,0,0,0|2,0,0]=3 1043 B9R0.3 CCCNC(=O)C(C)(C)C 11a_100020643023_106744555173 [0,1,0,0,0,0|1,0,0]=2 1044 B9R0.3 CCCNC(=O)C(C)(C)C 1626a_100020643023_106744555173 [0,1,0,0,0,0|1,0,0]=2 1045 B9R0.3 CCCNC(=O)C(C)(C)C 240690a_100020643023_106744555173 [0,1,0,0,0,0|1,0,0]=2 1046 B9R0.3 CCCNC(=O)C(C)(C)C 527a_100020643023_106744555173 [0,1,0,0,0,0|1,0,0]=2 1047 B9R0.3 CCCNC(=O)C(C)(C)F 11a_100020643023_100000765255 [0,1,0,0,0,0|1,0,0]=2 1048 B9R0.3 CCCNC(=O)C(C)(C)F 1626a_100020643023_100000765255 [0,1,0,0,0,0|1,0,0]=2 1049 B9R0.3 CCCNC(=O)C(C)(C)F 240690a_100020643023_100000765255 [0,1,0,0,0,0|1,0,0]=2 1050 B9R0.3 CCCNC(=O)C(C)(C)F 527a_100020643023_100000765255 [0,1,0,0,0,0|1,0,0]=2 1051 B9R0.3 CCCNC(=O)C(C)(C)O 240690a_100020643023_100000242741 [0,1,0,0,0,0|1,0,0]=2 1052 B9R0.3 CCCNC(=O)C(C)(F)F 11a_100020643023_100000042251 [0,1,0,0,0,0|2,0,0]=3 1053 B9R0.3 CCCNC(=O)C(C)(F)F 1626a_100020643023_100000042251 [0,1,0,0,0,0|2,0,0]=3 1054 B9R0.3 CCCNC(=O)C(C)(F)F 240690a_100020643023_100000042251 [0,1,0,0,0,0|2,0,0]=3 1055 B9R0.3 CCCNC(=O)C(C)(F)F 527a_100020643023_100000042251 [0,1,0,0,0,0|2,0,0]=3 1056 B9R0.3 CCCNC(=O)C(F)(F)F 11a_100020643023_100015355933 [0,1,0,0,0,0|3,0,0]=4 1057 B9R0.3 CCCNC(=O)C(F)(F)F 1626a_100020643023_100015355933 [0,1,0,0,0,0|3,0,0]=4 1058 B9R0.3 CCCNC(=O)C(F)(F)F 240690a_100020643023_100015355933 [0,1,0,0,0,0|3,0,0]=4 1059 B9R0.3 CCCNC(=O)C(F)(F)F 527a_100020643023_100000210220 [0,1,0,0,0,0|3,0,0]=4 1060 B9R0.3 CCCNC(C)C(C)(C)O 269862a_100020643023_100000747739 [0,1,0,0,0,0|2,0,1]=4 1061 B9R0.3 CCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210303 [0,1,0,0,0,0|2,0,1]=4 1062 B9R0.3 CCCN[C@H](C)C(C)(C)C 2230a_100025703359_100000210303 [0,1,0,0,0,0|2,0,1]=4 1063 B9R0.3 CCNN=C(C)C(C)(C)O 4a_100000756455_100000747739 [0,1,0,0,0,0|3,0,0]=4 1064 B9R0.3 CCNNC(=O)C(C)(C)C 22a_100000756455_106744555173 [0,1,0,0,0,0|2,0,0]=3 1065 B9R0.3 CCNNC(=O)C(C)(C)F 22a_100000756455_100000765255 [0,1,0,0,0,0|2,0,0]=3 1066 B9R0.3 CCNNC(=O)C(C)(C)O 22a_100000756455_100000242741 [0,1,0,0,0,0|2,0,0]=3 1067 B9R0.3 CCNNC(=O)C(C)(F)F 22a_100000756455_100000042251 [0,1,0,0,0,0|3,0,0]=4 1068 B9R0.3 CCOCC(=O)C(C)(C)C 34a_100121572206_100000229897 [0,1,0,0,0,0|1,0,0]=2 1069 B9R0.3 CCOCC(=O)C(C)(C)C 34a_200011592769_100000210202 [0,1,0,0,0,0|1,0,0]=2 1070 B9R0.3 CCOCC(=O)C(C)(C)C 7a_200011592769_100000210202 [0,1,0,0,0,0|1,0,0]=2 1071 B9R0.3 CCOCC(=O)C(F)(F)F 1458a_100000211967_200000243211 [0,1,0,0,0,0|3,0,0]=4 1072 B9R0.3 CCOCC(=O)C(F)(F)F 34a_100121572206_100000002480 [0,1,0,0,0,0|3,0,0]=4 1073 B9R0.3 CCOCN(C)C(C)(C)C 269982a_100011215553_100000739092 [0,1,0,0,0,0|3,0,0]=4 1074 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210202_100000210923 [0,1,0,0,0,0|1,0,0]=2 1075 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210923_100000210202 [0,1,0,0,0,0|1,0,0]=2 1076 B9R0.3 CCSCC(=O)C(F)(F)F 1458a_100000230394_200000243211 [0,1,0,0,0,0|3,0,0]=4 1077 B9R0.3 CCSCC(=O)C(F)(F)F 62a_100000002480_100000210202 [0,1,0,0,0,0|3,0,0]=4 1078 B9R0.3 CCSCC(=O)C(F)(F)F 62a_100000210202_100000002480 [0,1,0,0,0,0|3,0,0]=4 1079 B9R0.3 CN(CCCF)C(C)(C)C 269982a_100011215553_100011934791 [0,1,0,0,0,0|3,0,0]=4 1080 B9R0.3 CN(CCCO)C(C)(C)C 269982a_100000213112_100000210625 [0,1,0,0,0,0|3,0,0]=4 1081 B9R0.3 CN(CCCO)C(C)(C)C 269982a_100011215553_100011215043 [0,1,0,0,0,0|3,0,0]=4 1082 B9R0.3 COCCC(=O)C(C)(C)C 1458a_106744555173_100000233755 [0,1,0,0,0,0|1,0,0]=2 1083 B9R0.3 COCCC(=O)C(C)(C)F 1458a_100000765255_100000233755 [0,1,0,0,0,0|1,0,0]=2 1084 B9R0.3 COCCC(=O)C(C)(C)O 1458a_100000242741_100000233755 [0,1,0,0,0,0|1,0,0]=2 1085 B9R0.3 COCCC(=O)C(F)(F)F 1458a_100000749529_200000243211 [0,1,0,0,0,0|3,0,0]=4 1086 B9R0.3 COCCC(=O)C(F)(F)F 1458a_100015355933_100000233755 [0,1,0,0,0,0|3,0,0]=4 1087 B9R0.3 COCCN(C)C(C)(C)C 2230a_100011198866_200000210301 [0,1,0,0,0,0|3,0,0]=4 1088 B9R0.3 COCCN(C)C(C)(C)C 269982a_100000743101_100000210625 [0,1,0,0,0,0|3,0,0]=4 1089 B9R0.3 COCCN(C)C(C)(C)C 269982a_100011198866_200000210301 [0,1,0,0,0,0|3,0,0]=4 1090 B9R0.3 COCCN(C)C(C)(C)C 269982a_100011215553_100000233755 [0,1,0,0,0,0|3,0,0]=4 1091 B9R0.3 COCCN([13CH3])C(C)(C)C 2230a_100011198866_200025704644 [0,1,0,0,0,0|3,0,0]=4 1092 B9R0.3 COCCN([13CH3])C(C)(C)C 269982a_100011198866_200025704644 [0,1,0,0,0,0|3,0,0]=4 1093 B9R0.3 CSCCC(=O)C(C)(C)C 1458a_106744555173_100000751147 [0,1,0,0,0,0|1,0,0]=2 1094 B9R0.3 CSCCC(=O)C(C)(C)F 1458a_100000765255_100000751147 [0,1,0,0,0,0|1,0,0]=2 1095 B9R0.3 CSCCC(=O)C(C)(C)O 1458a_100000242741_100000751147 [0,1,0,0,0,0|1,0,0]=2 1096 B9R0.3 CSCCC(=O)C(F)(F)F 1458a_100000174002_200000243211 [0,1,0,0,0,0|3,0,0]=4 1097 B9R0.3 CSCCC(=O)C(F)(F)F 1458a_100015355933_100000751147 [0,1,0,0,0,0|3,0,0]=4 1098 B9R0.3 CSCCN(C)C(C)(C)C 269982a_100000686725_100000210625 [0,1,0,0,0,0|3,0,0]=4 1099 B9R0.3 CSCCN(C)C(C)(C)C 269982a_100011215553_100000212216 [0,1,0,0,0,0|3,0,0]=4 1100 B9R0.3 CSCOC(=O)C(C)(C)C 62a_100000032063_200000210301 [0,1,0,0,0,0|2,0,0]=3 1101 B9R0.3 CSCOC(=O)C(C)(C)C 62a_200000210301_100000032063 [0,1,0,0,0,0|2,0,0]=3 1102 B9R0.3 O=C(CCCF)C(F)(F)F 1458a_100015355933_100011934791 [0,1,0,0,0,0|3,0,0]=4 1103 B9R0.3 O=C(CCCO)C(F)(F)F 1458a_100015355933_100011215043 [0,1,0,0,0,0|3,0,0]=4 1104 B9R0.3 [2H]C([2H])([2H])C(=O)NCCC 11a_100020643023_200015216371 [0,1,0,0,0,0|3,0,0]=4 1105 B9R0.3 [2H]C([2H])([2H])C(=O)NCCC 1626a_100020643023_200015216371 [0,1,0,0,0,0|3,0,0]=4 1106 B9R0.3 [2H]C([2H])([2H])C(=O)NCCC 240690a_100020643023_200015216371 [0,1,0,0,0,0|3,0,0]=4 1107 B9R0.3 [2H]C([2H])([2H])C(=O)NCCC 527a_100020643023_200015216371 [0,1,0,0,0,0|3,0,0]=4 1108 B9R0.6 C#CCN(C)C(=O)C(C)C 11a_100000225692_100000210198 [0,1,0,0,0,0|1,0,2]=4 1109 B9R0.6 C#CCN(C)C(=O)C(C)C 1626a_100000225692_100000210198 [0,1,0,0,0,0|1,0,2]=4 1110 B9R0.6 C#CCN(C)C(=O)C(C)C 527a_100000225692_100000210198 [0,1,0,0,0,0|1,0,2]=4 1111 B9R0.6 C=C(C)C(=O)C(C)CCC 1458a_100000185857_100000766640 [0,1,0,0,0,0|0,0,2]=3 1112 B9R0.6 C=C(C)C(=O)C(C)CCO 1458a_100000185857_100009893172 [0,1,0,0,0,0|1,0,2]=4 1113 B9R0.6 C=C(C)C(=O)C(C)COC 1458a_100000185857_100000765312 [0,1,0,0,0,0|1,0,2]=4 1114 B9R0.6 C=C(C)C(=O)N(C)CCC 11a_100000747261_100000185857 [0,1,0,0,0,0|1,0,2]=4 1115 B9R0.6 C=C(C)C(=O)N(C)CCC 1626a_100000747261_100000185857 [0,1,0,0,0,0|1,0,2]=4 1116 B9R0.6 C=CCC(C)C(=O)C(C)C 1458a_100011216819_100000210206 [0,1,0,0,0,0|0,0,2]=3 1117 B9R0.6 C=CCC(C)C(=O)N(C)C 11a_100102631434_100011216819 [0,1,0,0,0,0|1,0,2]=4 1118 B9R0.6 C=CCC(C)C(=O)N(C)C 1626a_100102631434_100011216819 [0,1,0,0,0,0|1,0,2]=4 1119 B9R0.6 C=CCC(C)C(=O)N(C)C 240690a_100102631434_100011216819 [0,1,0,0,0,0|1,0,2]=4 1120 B9R0.6 C=CCC(C)C(=O)N(C)C 527a_100102631434_100011216819 [0,1,0,0,0,0|1,0,2]=4 1121 B9R0.6 C=CCN(C)C(=O)C(C)C 11a_100000225617_100000210198 [0,1,0,0,0,0|1,0,2]=4 1122 B9R0.6 C=CCN(C)C(=O)C(C)C 1626a_100000225617_100000210198 [0,1,0,0,0,0|1,0,2]=4 1123 B9R0.6 C=CCN(C)C(=O)C(C)C 240690a_100000225617_100000210198 [0,1,0,0,0,0|1,0,2]=4 1124 B9R0.6 C=CCN(C)C(=O)C(C)C 527a_100000225617_100000210198 [0,1,0,0,0,0|1,0,2]=4 1125 B9R0.6 CC(C)C(=O)C(C)CC#N 1458a_100000210198_100009813641 [0,1,0,0,0,0|1,0,1]=3 1126 B9R0.6 CC(C)C(=O)C(C)CCO 1458a_100000210198_100009893172 [0,1,0,0,0,0|1,0,0]=2 1127 B9R0.6 CC(C)C(=O)C(C)SCF 62a_100009893295_100015361967 [0,1,0,0,0,0|2,0,0]=3 1128 B9R0.6 CC(C)C(=O)C(C)SCF 62a_100015361967_100009893295 [0,1,0,0,0,0|2,0,0]=3 1129 B9R0.6 CC(C)C(=O)N(C)CC#N 11a_100000748184_100000210198 [0,1,0,0,0,0|2,0,1]=4 1130 B9R0.6 CC(C)C(=O)N(C)CC#N 1626a_100000748184_100000210198 [0,1,0,0,0,0|2,0,1]=4 1131 B9R0.6 CC(C)C(=O)N(C)CCO 240690a_100000210263_100000210198 [0,1,0,0,0,0|2,0,0]=3 1132 B9R0.6 CC(C)C(=O)N(C)CCO 527a_100000210263_100000210198 [0,1,0,0,0,0|2,0,0]=3 1133 B9R0.6 CC(C)N(C)C(C)CCO 2230a_100000731037_100000210206 [0,1,0,0,0,0|3,0,0]=4 1134 B9R0.6 CC(C)N(C)C(C)CCO 269982a_100000731037_100000210206 [0,1,0,0,0,0|3,0,0]=4 1135 B9R0.6 CC(C)N(C)C(C)CCO 269982a_200000211004_100009893172 [0,1,0,0,0,0|3,0,0]=4 1136 B9R0.6 CC(CC#N)C(=O)[C@@H](C)O 1458a_100000717761_100009813641 [0,1,0,0,0,0|2,0,1]=4 1137 B9R0.6 CC(CC#N)C(=O)[C@H](C)O 1458a_217856618621_100009813641 [0,1,0,0,0,0|2,0,1]=4 1138 B9R0.6 CC(CCO)C(=O)C(O)O 1458a_100000233687_100009893172 [0,1,0,0,0,0|3,0,0]=4 1139 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [0,1,0,0,0,0|2,0,0]=3 1140 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [0,1,0,0,0,0|2,0,0]=3 1141 B9R0.6 CC(F)C(=O)C(C)CC#N 1458a_100000062450_100009813641 [0,1,0,0,0,0|2,0,1]=4 1142 B9R0.6 CC(F)C(=O)C(C)CCO 1458a_100000062450_100009893172 [0,1,0,0,0,0|2,0,0]=3 1143 B9R0.6 CC(F)C(=O)N(C)CCO 240690a_100000210263_100000062450 [0,1,0,0,0,0|3,0,0]=4 1144 B9R0.6 CC(F)C(=O)N(C)CCO 527a_100000210263_100000062450 [0,1,0,0,0,0|3,0,0]=4 1145 B9R0.6 CC(SCF)C(=O)N(C)C 62a_100000209910_100015361967 [0,1,0,0,0,0|3,0,0]=4 1146 B9R0.6 CC(SCF)C(=O)N(C)C 62a_100015361967_100000209910 [0,1,0,0,0,0|3,0,0]=4 1147 B9R0.6 CC/C=C(\C)/C(=O)C(C)C 1458a_100016988807_100000210206 [0,1,0,0,0,0|0,0,2]=3 1148 B9R0.6 CC/C=C(\C)/C(=O)N(C)C 11a_100102631434_100016988807 [0,1,0,0,0,0|1,0,2]=4 1149 B9R0.6 CC/C=C(\C)/C(=O)N(C)C 1626a_100102631434_100016988807 [0,1,0,0,0,0|1,0,2]=4 1150 B9R0.6 CC/C=C(\C)/C(=O)N(C)C 240690a_100102631434_100016988807 [0,1,0,0,0,0|1,0,2]=4 1151 B9R0.6 CC/C=C(\C)/C(=O)N(C)C 527a_100102631434_100016988807 [0,1,0,0,0,0|1,0,2]=4 1152 B9R0.6 CCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210303 [0,1,0,0,0,0|1,0,1]=3 1153 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [0,1,0,0,0,0|1,0,2]=4 1154 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [0,1,0,0,0,0|2,0,1]=4 1155 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [0,1,0,0,0,0|2,0,1]=4 1156 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [0,1,0,0,0,0|2,0,1]=4 1157 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [0,1,0,0,0,0|2,0,1]=4 1158 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [0,1,0,0,0,0|0,0,3]=4 1159 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210198_100000766640 [0,1,0,0,0,0|0,0,0]=1 1160 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210906_100000210206 [0,1,0,0,0,0|0,0,0]=1 1161 B9R0.6 CCCC(C)C(=O)C(C)F 1458a_100000062450_100000766640 [0,1,0,0,0,0|1,0,0]=2 1162 B9R0.6 CCCC(C)C(=O)C(O)O 1458a_100000233687_100000766640 [0,1,0,0,0,0|2,0,0]=3 1163 B9R0.6 CCCC(C)C(=O)N(C)C 11a_100102631434_100000210906 [0,1,0,0,0,0|1,0,0]=2 1164 B9R0.6 CCCC(C)C(=O)N(C)C 1626a_100102631434_100000210906 [0,1,0,0,0,0|1,0,0]=2 1165 B9R0.6 CCCC(C)C(=O)N(C)C 240690a_100102631434_100000210906 [0,1,0,0,0,0|1,0,0]=2 1166 B9R0.6 CCCC(C)C(=O)N(C)C 527a_100102631434_100000210906 [0,1,0,0,0,0|1,0,0]=2 1167 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [0,1,0,0,0,0|1,0,0]=2 1168 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [0,1,0,0,0,0|1,0,0]=2 1169 B9R0.6 CCCC(C)C(C)N(C)C 270004a_100102631434_100011216282 [0,1,0,0,0,0|2,0,1]=4 1170 B9R0.6 CCCC(C)N(C)C(C)C 269982a_200000211004_100000766640 [0,1,0,0,0,0|2,0,0]=3 1171 B9R0.6 CCCC(C)N(C)C(C)C 270004a_200000211004_100000211909 [0,1,0,0,0,0|2,0,0]=3 1172 B9R0.6 CCCN(C)C(=O)C(C)C 11a_100000747261_100000210198 [0,1,0,0,0,0|1,0,0]=2 1173 B9R0.6 CCCN(C)C(=O)C(C)C 1626a_100000747261_100000210198 [0,1,0,0,0,0|1,0,0]=2 1174 B9R0.6 CCCN(C)C(=O)C(C)C 240690a_100000747261_100000210198 [0,1,0,0,0,0|1,0,0]=2 1175 B9R0.6 CCCN(C)C(=O)C(C)C 527a_100000747261_100000210198 [0,1,0,0,0,0|1,0,0]=2 1176 B9R0.6 CCCN(C)C(=O)C(C)F 11a_100000747261_100000062450 [0,1,0,0,0,0|2,0,0]=3 1177 B9R0.6 CCCN(C)C(=O)C(C)F 1626a_100000747261_100000062450 [0,1,0,0,0,0|2,0,0]=3 1178 B9R0.6 CCCN(C)C(=O)C(C)F 240690a_100000747261_100000062450 [0,1,0,0,0,0|2,0,0]=3 1179 B9R0.6 CCCN(C)C(=O)C(C)F 527a_100000747261_100000062450 [0,1,0,0,0,0|2,0,0]=3 1180 B9R0.6 CCCN(C)C(=O)C(F)F 11a_100000747261_100000210393 [0,1,0,0,0,0|3,0,0]=4 1181 B9R0.6 CCCN(C)C(=O)C(F)F 1626a_100000747261_100000210393 [0,1,0,0,0,0|3,0,0]=4 1182 B9R0.6 CCCN(C)C(=O)C(F)F 240690a_100000747261_100000210393 [0,1,0,0,0,0|3,0,0]=4 1183 B9R0.6 CCCN(C)C(=O)C(F)F 527a_100000747261_100000210393 [0,1,0,0,0,0|3,0,0]=4 1184 B9R0.6 CCCN(C)C(=O)C(O)O 240690a_100000747261_100000233687 [0,1,0,0,0,0|3,0,0]=4 1185 B9R0.6 CCCN(C)C(=O)[C@@H](C)O 240690a_100000747261_100000717761 [0,1,0,0,0,0|2,0,0]=3 1186 B9R0.6 CCCN(C)C(=O)[C@H](C)O 1626a_100000747261_217856618621 [0,1,0,0,0,0|2,0,0]=3 1187 B9R0.6 CCCN(C)C(=O)[C@H](C)O 240690a_100000747261_217856618621 [0,1,0,0,0,0|2,0,0]=3 1188 B9R0.6 CCCN(C)C(C)C(C)C 2230a_100000228512_100000210303 [0,1,0,0,0,0|2,0,1]=4 1189 B9R0.6 CCCN(C)C(C)C(C)C 2230a_200015185082_200000210301 [0,1,0,0,0,0|2,0,1]=4 1190 B9R0.6 CCCN(C)C(C)C(C)C 269982a_100000228512_100000210303 [0,1,0,0,0,0|2,0,1]=4 1191 B9R0.6 CCCN(C)C(C)C(C)C 269982a_200015185082_200000210301 [0,1,0,0,0,0|2,0,1]=4 1192 B9R0.6 CCCN([13CH3])C(C)C(C)C 2230a_200015185082_200025704644 [0,1,0,0,0,0|2,0,1]=4 1193 B9R0.6 CCCN([13CH3])C(C)C(C)C 269982a_200015185082_200025704644 [0,1,0,0,0,0|2,0,1]=4 1194 B9R0.6 CCC[C@H](O)C(=O)C(C)C 1458a_100009822183_100000210206 [0,1,0,0,0,0|0,0,0]=1 1195 B9R0.6 CCC[C@H](O)C(=O)N(C)C 240690a_100102631434_100009822183 [0,1,0,0,0,0|1,0,0]=2 1196 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [0,1,0,0,0,0|1,0,1]=3 1197 B9R0.6 CCNC(=O)C(=O)N(C)C 1626a_100102631434_200011297158 [0,1,0,0,0,0|2,0,1]=4 1198 B9R0.6 CCNC(=O)C(=O)N(C)C 240690a_100015525214_100011218876 [0,1,0,0,0,0|2,0,1]=4 1199 B9R0.6 CCNC(=O)C(=O)N(C)C 240690a_100102631434_200011297158 [0,1,0,0,0,0|2,0,1]=4 1200 B9R0.6 CCNC(=O)C(=O)N(C)C 527a_100015525214_100011218876 [0,1,0,0,0,0|2,0,1]=4 1201 B9R0.6 CCNC(=O)C(=O)N(C)C 527a_100102631434_200011297158 [0,1,0,0,0,0|2,0,1]=4 1202 B9R0.6 CCNC(C)C(=O)C(C)C 2230a_100015525214_100009893295 [0,1,0,0,0,0|1,0,0]=2 1203 B9R0.6 CCNC(C)C(=O)N(C)C 2230a_100015525214_100000209910 [0,1,0,0,0,0|2,0,0]=3 1204 B9R0.6 CCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100000210202 [0,1,0,0,0,0|2,0,0]=3 1205 B9R0.6 CCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100000210202 [0,1,0,0,0,0|2,0,0]=3 1206 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [0,1,0,0,0,0|2,0,1]=4 1207 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [0,1,0,0,0,0|2,0,1]=4 1208 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [0,1,0,0,0,0|2,0,1]=4 1209 B9R0.6 CCOC(C)C(=O)C(C)C 1458a_100000739345_100000210206 [0,1,0,0,0,0|1,0,0]=2 1210 B9R0.6 CCOC(C)C(=O)N(C)C 11a_100102631434_100000739345 [0,1,0,0,0,0|2,0,0]=3 1211 B9R0.6 CCOC(C)C(=O)N(C)C 1626a_100102631434_100000739345 [0,1,0,0,0,0|2,0,0]=3 1212 B9R0.6 CCOC(C)C(=O)N(C)C 240690a_100102631434_100000739345 [0,1,0,0,0,0|2,0,0]=3 1213 B9R0.6 CCOC(C)C(=O)N(C)C 527a_100102631434_100000739345 [0,1,0,0,0,0|2,0,0]=3 1214 B9R0.6 CCSC(C)C(=O)C(C)C 1458a_100000230601_100000210206 [0,1,0,0,0,0|1,0,0]=2 1215 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100000210202_100009893295 [0,1,0,0,0,0|1,0,0]=2 1216 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100009893295_100000210202 [0,1,0,0,0,0|1,0,0]=2 1217 B9R0.6 CCSC(C)C(=O)N(C)C 11a_100102631434_100000230601 [0,1,0,0,0,0|2,0,0]=3 1218 B9R0.6 CCSC(C)C(=O)N(C)C 1626a_100102631434_100000230601 [0,1,0,0,0,0|2,0,0]=3 1219 B9R0.6 CCSC(C)C(=O)N(C)C 240690a_100102631434_100000230601 [0,1,0,0,0,0|2,0,0]=3 1220 B9R0.6 CCSC(C)C(=O)N(C)C 527a_100102631434_100000230601 [0,1,0,0,0,0|2,0,0]=3 1221 B9R0.6 CCSC(C)C(=O)N(C)C 62a_100000209910_100000210202 [0,1,0,0,0,0|2,0,0]=3 1222 B9R0.6 CCSC(C)C(=O)N(C)C 62a_100000210202_100000209910 [0,1,0,0,0,0|2,0,0]=3 1223 B9R0.6 CN(C)C(=O)C(=O)CCF 1458a_100011218876_100011217306 [0,1,0,0,0,0|2,0,1]=4 1224 B9R0.6 CN(C)C(=O)C(=O)CCO 1458a_100011218876_100000211926 [0,1,0,0,0,0|2,0,1]=4 1225 B9R0.6 CO/N=C(\C)/C(=O)C(C)C 1458a_100160996864_100000210206 [0,1,0,0,0,0|2,0,1]=4 1226 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000210198_100000765312 [0,1,0,0,0,0|1,0,0]=2 1227 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000751857_100000210206 [0,1,0,0,0,0|1,0,0]=2 1228 B9R0.6 COCC(C)C(=O)C(C)F 1458a_100000062450_100000765312 [0,1,0,0,0,0|2,0,0]=3 1229 B9R0.6 COCC(C)C(=O)C(O)O 1458a_100000233687_100000765312 [0,1,0,0,0,0|3,0,0]=4 1230 B9R0.6 COCC(C)C(=O)N(C)C 11a_100102631434_100000751857 [0,1,0,0,0,0|2,0,0]=3 1231 B9R0.6 COCC(C)C(=O)N(C)C 1626a_100102631434_100000751857 [0,1,0,0,0,0|2,0,0]=3 1232 B9R0.6 COCC(C)C(=O)N(C)C 240690a_100102631434_100000751857 [0,1,0,0,0,0|2,0,0]=3 1233 B9R0.6 COCC(C)C(=O)N(C)C 527a_100102631434_100000751857 [0,1,0,0,0,0|2,0,0]=3 1234 B9R0.6 COCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000765312 [0,1,0,0,0,0|2,0,0]=3 1235 B9R0.6 COCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000765312 [0,1,0,0,0,0|2,0,0]=3 1236 B9R0.6 COCC(C)N(C)C(C)C 269982a_200000211004_100000765312 [0,1,0,0,0,0|3,0,0]=4 1237 B9R0.6 COCC(C)N(C)C(C)C 270004a_200000211004_100000749346 [0,1,0,0,0,0|3,0,0]=4 1238 B9R0.6 CSCC(C)C(=O)C(C)C 1458a_100000753918_100000210206 [0,1,0,0,0,0|1,0,0]=2 1239 B9R0.6 CSCC(C)C(=O)N(C)C 11a_100102631434_100000753918 [0,1,0,0,0,0|2,0,0]=3 1240 B9R0.6 CSCC(C)C(=O)N(C)C 1626a_100102631434_100000753918 [0,1,0,0,0,0|2,0,0]=3 1241 B9R0.6 CSCC(C)C(=O)N(C)C 240690a_100102631434_100000753918 [0,1,0,0,0,0|2,0,0]=3 1242 B9R0.6 CSCC(C)C(=O)N(C)C 527a_100102631434_100000753918 [0,1,0,0,0,0|2,0,0]=3 1243 B9R0.6 CSCC(C)N(C)C(C)C 270004a_200000211004_100011216314 [0,1,0,0,0,0|3,0,0]=4 1244 B9R0.6 C[C@@H](O)C(=O)N(C)CCO 240690a_100000210263_100000717761 [0,1,0,0,0,0|3,0,0]=4 1245 B9R0.6 C[C@H](NCF)C(=O)N(C)C 34a_100000697320_100015361967 [0,1,0,0,0,0|3,0,0]=4 1246 B9R0.6 C[C@H](O)C(=O)N(C)CCO 240690a_100000210263_217856618621 [0,1,0,0,0,0|3,0,0]=4 1247 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,1,0,0,0,0|0,0,2]=3 1248 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,1,0,0,0,0|0,0,2]=3 1249 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [0,1,0,0,0,0|1,0,2]=4 1250 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [0,1,0,0,0,0|1,0,2]=4 1251 B9R0.7 C=C(C)C(=O)NCC(C)O 11a_100000210904_100000185857 [0,1,0,0,0,0|1,0,2]=4 1252 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [0,1,0,0,0,0|0,0,3]=4 1253 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,1,0,0,0,0|0,0,1]=2 1254 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,1,0,0,0,0|0,0,1]=2 1255 B9R0.7 C=C(C)CCC(=O)C(C)F 1458a_100000062450_100000730704 [0,1,0,0,0,0|1,0,1]=3 1256 B9R0.7 C=C(C)CCC(=O)C(O)O 1458a_100000233687_100000730704 [0,1,0,0,0,0|2,0,1]=4 1257 B9R0.7 C=C(C)CCC(=O)N(C)C 11a_100102631434_200000688413 [0,1,0,0,0,0|1,0,1]=3 1258 B9R0.7 C=C(C)CCC(=O)N(C)C 1626a_100102631434_200000688413 [0,1,0,0,0,0|1,0,1]=3 1259 B9R0.7 C=C(C)CCC(=O)N(C)C 240690a_100102631434_200000688413 [0,1,0,0,0,0|1,0,1]=3 1260 B9R0.7 C=C(C)CCC(=O)N(C)C 527a_100102631434_200000688413 [0,1,0,0,0,0|1,0,1]=3 1261 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [0,1,0,0,0,0|1,0,1]=3 1262 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [0,1,0,0,0,0|1,0,1]=3 1263 B9R0.7 C=C(C)CCN(C)C(C)C 269982a_200000211004_100000730704 [0,1,0,0,0,0|2,0,1]=4 1264 B9R0.7 C=C(C)CNC(=O)C(C)C 11a_100000765925_100000210198 [0,1,0,0,0,0|1,0,1]=3 1265 B9R0.7 C=C(C)CNC(=O)C(C)C 1626a_100000765925_100000210198 [0,1,0,0,0,0|1,0,1]=3 1266 B9R0.7 C=C(C)CNC(=O)C(C)C 240690a_100000765925_100000210198 [0,1,0,0,0,0|1,0,1]=3 1267 B9R0.7 C=C(C)CNC(=O)C(C)C 527a_100000765925_100000210198 [0,1,0,0,0,0|1,0,1]=3 1268 B9R0.7 C=C(C)CNC(=O)C(C)F 11a_100000765925_100000062450 [0,1,0,0,0,0|2,0,1]=4 1269 B9R0.7 C=C(C)CNC(=O)C(C)F 1626a_100000765925_100000062450 [0,1,0,0,0,0|2,0,1]=4 1270 B9R0.7 C=C(C)CNC(=O)C(C)F 240690a_100000765925_100000062450 [0,1,0,0,0,0|2,0,1]=4 1271 B9R0.7 C=C(C)CNC(=O)C(C)F 527a_100000765925_100000062450 [0,1,0,0,0,0|2,0,1]=4 1272 B9R0.7 C=C(C)CNC(=O)N(C)C 2708a_100000765925_100102631434 [0,1,0,0,0,0|2,0,1]=4 1273 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O 240690a_100000765925_100000717761 [0,1,0,0,0,0|2,0,1]=4 1274 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 1626a_100000765925_217856618621 [0,1,0,0,0,0|2,0,1]=4 1275 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 240690a_100000765925_217856618621 [0,1,0,0,0,0|2,0,1]=4 1276 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100000210198_100000761012 [0,1,0,0,0,0|0,0,2]=3 1277 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100011220947_100000210206 [0,1,0,0,0,0|0,0,2]=3 1278 B9R0.7 CC(=CCC(=O)C(C)F)C 1458a_100000062450_100000761012 [0,1,0,0,0,0|1,0,2]=4 1279 B9R0.7 CC(=CCC(=O)N(C)C)C 11a_100102631434_100011220947 [0,1,0,0,0,0|1,0,2]=4 1280 B9R0.7 CC(=CCC(=O)N(C)C)C 1626a_100102631434_100011220947 [0,1,0,0,0,0|1,0,2]=4 1281 B9R0.7 CC(=CCC(=O)N(C)C)C 240690a_100102631434_100011220947 [0,1,0,0,0,0|1,0,2]=4 1282 B9R0.7 CC(=CCC(=O)N(C)C)C 527a_100102631434_100011220947 [0,1,0,0,0,0|1,0,2]=4 1283 B9R0.7 CC(=CCC(=O)[C@@H](C)O)C 1458a_100000717761_100000761012 [0,1,0,0,0,0|1,0,2]=4 1284 B9R0.7 CC(=CCC(=O)[C@H](C)O)C 1458a_217856618621_100000761012 [0,1,0,0,0,0|1,0,2]=4 1285 B9R0.7 CC(=NNC(C)C)C(C)C 4a_100000741168_100000211110 [0,1,0,0,0,0|3,0,0]=4 1286 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,1,0,0,0,0|2,0,1]=4 1287 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,1,0,0,0,0|2,0,1]=4 1288 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,1,0,0,0,0|2,0,1]=4 1289 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,1,0,0,0,0|2,0,1]=4 1290 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,1,0,0,0,0|2,0,1]=4 1291 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,1,0,0,0,0|1,0,1]=3 1292 B9R0.7 CC(=O)CCN(C)C(C)C 1458a_100015184040_200000210301 [0,1,0,0,0,0|2,0,1]=4 1293 B9R0.7 CC(=O)CCN(C)C(C)C 269982a_200000211004_100000053229 [0,1,0,0,0,0|2,0,1]=4 1294 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,1,0,0,0,0|1,0,1]=3 1295 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,1,0,0,0,0|1,0,1]=3 1296 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,1,0,0,0,0|1,0,1]=3 1297 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100015183351_100015343762 [0,1,0,0,0,0|2,0,1]=4 1298 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100102631434_100000194580 [0,1,0,0,0,0|2,0,1]=4 1299 B9R0.7 CC(=O)NCC(=O)N(C)C 1626a_100102631434_100000194580 [0,1,0,0,0,0|2,0,1]=4 1300 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100015183351_100015343762 [0,1,0,0,0,0|2,0,1]=4 1301 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100102631434_100000194580 [0,1,0,0,0,0|2,0,1]=4 1302 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100015183351_100103153847 [0,1,0,0,0,0|2,0,1]=4 1303 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100102631434_100000194580 [0,1,0,0,0,0|2,0,1]=4 1304 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000184118_100000070787 [0,1,0,0,0,0|2,0,1]=4 1305 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000189765_100000210198 [0,1,0,0,0,0|2,0,1]=4 1306 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,1,0,0,0,0|1,0,1]=3 1307 B9R0.7 CC(=O)OCC(=O)N(C)C 1626a_100102631434_100000183556 [0,1,0,0,0,0|2,0,1]=4 1308 B9R0.7 CC(=O)OCC(=O)N(C)C 240690a_100102631434_100000183556 [0,1,0,0,0,0|2,0,1]=4 1309 B9R0.7 CC(=O)OCC(=O)N(C)C 527a_100102631434_100000183556 [0,1,0,0,0,0|2,0,1]=4 1310 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,1,0,0,0,0|1,0,1]=3 1311 B9R0.7 CC(=O)SCC(=O)N(C)C 11a_100102631434_100000049016 [0,1,0,0,0,0|2,0,1]=4 1312 B9R0.7 CC(=O)SCC(=O)N(C)C 1626a_100102631434_100000049016 [0,1,0,0,0,0|2,0,1]=4 1313 B9R0.7 CC(=O)SCC(=O)N(C)C 240690a_100102631434_100000049016 [0,1,0,0,0,0|2,0,1]=4 1314 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,1,0,0,0,0|1,0,1]=3 1315 B9R0.7 CC(C)C(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210206 [0,1,0,0,0,0|2,0,0]=3 1316 B9R0.7 CC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000210206 [0,1,0,0,0,0|1,0,0]=2 1317 B9R0.7 CC(C)C(=O)CNC(=O)N 1458a_100000184981_100000210206 [0,1,0,0,0,0|2,0,1]=4 1318 B9R0.7 CC(C)C(=O)COC(F)F 1458a_200000719455_100000210206 [0,1,0,0,0,0|2,0,0]=3 1319 B9R0.7 CC(C)C(=O)CSC(F)F 1458a_114828291038_100000210206 [0,1,0,0,0,0|2,0,0]=3 1320 B9R0.7 CC(C)C(=O)NCC(=O)N 11a_100000711301_100000210198 [0,1,0,0,0,0|2,0,1]=4 1321 B9R0.7 CC(C)C(=O)NCC(=O)N 240690a_100000711301_100000210198 [0,1,0,0,0,0|2,0,1]=4 1322 B9R0.7 CC(C)C(=O)NCC(=O)N 527a_100000711301_100000210198 [0,1,0,0,0,0|2,0,1]=4 1323 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,1,0,0,0,0|1,0,1]=3 1324 B9R0.7 CC(C)C(=O)NCC(F)F 11a_100000765723_100000210198 [0,1,0,0,0,0|2,0,0]=3 1325 B9R0.7 CC(C)C(=O)NCC(F)F 1626a_100000765723_100000210198 [0,1,0,0,0,0|2,0,0]=3 1326 B9R0.7 CC(C)C(=O)NCC(F)F 240690a_100000765723_100000210198 [0,1,0,0,0,0|2,0,0]=3 1327 B9R0.7 CC(C)C(=O)NCC(F)F 527a_100000765723_100000210198 [0,1,0,0,0,0|2,0,0]=3 1328 B9R0.7 CC(C)C(C)NC[C@@H](C)O 2230a_100000211541_100009817552 [0,1,0,0,0,0|2,0,1]=4 1329 B9R0.7 CC(C)C(C)OC[C@@H](C)O 7a_100000748068_100009817552 [0,1,0,0,0,0|2,0,1]=4 1330 B9R0.7 CC(C)C=CC(=O)C(C)C 1458a_100016268746_100000210206 [0,1,0,0,0,0|0,0,2]=3 1331 B9R0.7 CC(C)C=CC(=O)N(C)C 11a_100102631434_100016268746 [0,1,0,0,0,0|1,0,2]=4 1332 B9R0.7 CC(C)C=CC(=O)N(C)C 1626a_100102631434_100016268746 [0,1,0,0,0,0|1,0,2]=4 1333 B9R0.7 CC(C)C=CC(=O)N(C)C 240690a_100102631434_100016268746 [0,1,0,0,0,0|1,0,2]=4 1334 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,1,0,0,0,0|0,0,0]=1 1335 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,1,0,0,0,0|0,0,0]=1 1336 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [0,1,0,0,0,0|1,0,0]=2 1337 B9R0.7 CC(C)CCC(=O)C(O)O 1458a_100000233687_100000210312 [0,1,0,0,0,0|2,0,0]=3 1338 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [0,1,0,0,0,0|1,0,0]=2 1339 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [0,1,0,0,0,0|1,0,0]=2 1340 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [0,1,0,0,0,0|1,0,0]=2 1341 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [0,1,0,0,0,0|1,0,0]=2 1342 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,1,0,0,0,0|1,0,0]=2 1343 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,1,0,0,0,0|1,0,0]=2 1344 B9R0.7 CC(C)CCC(C)N(C)C 2230a_100102631434_100011261404 [0,1,0,0,0,0|2,0,1]=4 1345 B9R0.7 CC(C)CCC(C)N(C)C 269982a_100102631434_100011261404 [0,1,0,0,0,0|2,0,1]=4 1346 B9R0.7 CC(C)CCC(C)N(C)C 270004a_100102631434_100000210476 [0,1,0,0,0,0|2,0,1]=4 1347 B9R0.7 CC(C)CCN(C)C(C)C 2230a_100000742789_100000210206 [0,1,0,0,0,0|2,0,0]=3 1348 B9R0.7 CC(C)CCN(C)C(C)C 269982a_100000742789_100000210206 [0,1,0,0,0,0|2,0,0]=3 1349 B9R0.7 CC(C)CCN(C)C(C)C 269982a_200000211004_100000210312 [0,1,0,0,0,0|2,0,0]=3 1350 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,1,0,0,0,0|2,0,1]=4 1351 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [0,1,0,0,0,0|1,0,0]=2 1352 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [0,1,0,0,0,0|1,0,0]=2 1353 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [0,1,0,0,0,0|1,0,0]=2 1354 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [0,1,0,0,0,0|1,0,0]=2 1355 B9R0.7 CC(C)CNC(=O)C(C)F 11a_100000210953_100000062450 [0,1,0,0,0,0|2,0,0]=3 1356 B9R0.7 CC(C)CNC(=O)C(C)F 1626a_100000210953_100000062450 [0,1,0,0,0,0|2,0,0]=3 1357 B9R0.7 CC(C)CNC(=O)C(C)F 240690a_100000210953_100000062450 [0,1,0,0,0,0|2,0,0]=3 1358 B9R0.7 CC(C)CNC(=O)C(C)F 527a_100000210953_100000062450 [0,1,0,0,0,0|2,0,0]=3 1359 B9R0.7 CC(C)CNC(=O)C(F)F 11a_100000210953_100000210393 [0,1,0,0,0,0|3,0,0]=4 1360 B9R0.7 CC(C)CNC(=O)C(F)F 1626a_100000210953_100000210393 [0,1,0,0,0,0|3,0,0]=4 1361 B9R0.7 CC(C)CNC(=O)C(F)F 240690a_100000210953_100000210393 [0,1,0,0,0,0|3,0,0]=4 1362 B9R0.7 CC(C)CNC(=O)C(F)F 527a_100000210953_100000210393 [0,1,0,0,0,0|3,0,0]=4 1363 B9R0.7 CC(C)CNC(=O)C(O)O 240690a_100000210953_100000233687 [0,1,0,0,0,0|3,0,0]=4 1364 B9R0.7 CC(C)CNC(=O)N(C)C 2708a_100000210953_100102631434 [0,1,0,0,0,0|2,0,0]=3 1365 B9R0.7 CC(C)CNC(=O)[C@@H](C)O 240690a_100000210953_100000717761 [0,1,0,0,0,0|2,0,0]=3 1366 B9R0.7 CC(C)CNC(=O)[C@H](C)O 1626a_100000210953_217856618621 [0,1,0,0,0,0|2,0,0]=3 1367 B9R0.7 CC(C)CNC(=O)[C@H](C)O 240690a_100000210953_217856618621 [0,1,0,0,0,0|2,0,0]=3 1368 B9R0.7 CC(C)CNC(C)C(C)C 2230a_100000211541_100000210760 [0,1,0,0,0,0|2,0,1]=4 1369 B9R0.7 CC(C)CNC(C)C(C)C 270004a_100000211541_100000210432 [0,1,0,0,0,0|2,0,1]=4 1370 B9R0.7 CC(C)COC(C)C(C)C 7a_100000748068_100000210760 [0,1,0,0,0,0|2,0,1]=4 1371 B9R0.7 CC(C)N(C)CCC(=O)[13CH3] 1458a_100015184040_200025704644 [0,1,0,0,0,0|2,0,1]=4 1372 B9R0.7 CC(C)N(C)CCN(C)C 269982a_100000225618_100000210206 [0,1,0,0,0,0|3,0,0]=4 1373 B9R0.7 CC(C)N(C)CCN(C)C 269982a_200000211004_100000755713 [0,1,0,0,0,0|3,0,0]=4 1374 B9R0.7 CC(C)NCC(=O)C(C)C 2230a_100138425928_100000753385 [0,1,0,0,0,0|1,0,0]=2 1375 B9R0.7 CC(C)NCC(=O)C(C)C 34a_100138425928_100000753385 [0,1,0,0,0,0|1,0,0]=2 1376 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100015183351_100000210206 [0,1,0,0,0,0|2,0,0]=3 1377 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100138425928_100000185267 [0,1,0,0,0,0|2,0,0]=3 1378 B9R0.7 CC(C)NCC(=O)N(C)C 34a_100138425928_100000692301 [0,1,0,0,0,0|2,0,0]=3 1379 B9R0.7 CC(C)NCC(O)C(C)C 2230a_100000759067_100000210206 [0,1,0,0,0,0|1,0,2]=4 1380 B9R0.7 CC(C)NCC(O)C(C)C 34a_100000759067_100000210206 [0,1,0,0,0,0|1,0,2]=4 1381 B9R0.7 CC(C)NNC(=O)C(C)C 22a_100000741168_100000210198 [0,1,0,0,0,0|2,0,0]=3 1382 B9R0.7 CC(C)NNC(=O)C(C)F 22a_100000741168_100000062450 [0,1,0,0,0,0|3,0,0]=4 1383 B9R0.7 CC(C)NNC(=O)[C@@H](C)O 22a_100000741168_100000717761 [0,1,0,0,0,0|3,0,0]=4 1384 B9R0.7 CC(C)NNC(=O)[C@H](C)O 22a_100000741168_217856618621 [0,1,0,0,0,0|3,0,0]=4 1385 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [0,1,0,0,0,0|1,0,0]=2 1386 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [0,1,0,0,0,0|1,0,0]=2 1387 B9R0.7 CC(C)OCC(=O)N(C)C 11a_100102631434_100000745533 [0,1,0,0,0,0|2,0,0]=3 1388 B9R0.7 CC(C)OCC(=O)N(C)C 1626a_100102631434_100000745533 [0,1,0,0,0,0|2,0,0]=3 1389 B9R0.7 CC(C)OCC(=O)N(C)C 240690a_100102631434_100000745533 [0,1,0,0,0,0|2,0,0]=3 1390 B9R0.7 CC(C)OCC(=O)N(C)C 34a_100000212225_100000692301 [0,1,0,0,0,0|2,0,0]=3 1391 B9R0.7 CC(C)OCC(=O)N(C)C 527a_100102631434_100000745533 [0,1,0,0,0,0|2,0,0]=3 1392 B9R0.7 CC(C)OCN(C)C(C)C 269982a_200000211004_100000709892 [0,1,0,0,0,0|3,0,0]=4 1393 B9R0.7 CC(C)OC[C@H](N)C(C)C 34a_100011830312_100000210206 [0,1,0,0,0,0|2,0,1]=4 1394 B9R0.7 CC(C)SCC(=O)C(C)C 1458a_100000241585_100000210206 [0,1,0,0,0,0|1,0,0]=2 1395 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000210206_100000753385 [0,1,0,0,0,0|1,0,0]=2 1396 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000753385_100000210206 [0,1,0,0,0,0|1,0,0]=2 1397 B9R0.7 CC(C)SCC(=O)N(C)C 11a_100102631434_100000241585 [0,1,0,0,0,0|2,0,0]=3 1398 B9R0.7 CC(C)SCC(=O)N(C)C 1626a_100102631434_100000241585 [0,1,0,0,0,0|2,0,0]=3 1399 B9R0.7 CC(C)SCC(=O)N(C)C 240690a_100102631434_100000241585 [0,1,0,0,0,0|2,0,0]=3 1400 B9R0.7 CC(C)SCC(=O)N(C)C 527a_100102631434_100000241585 [0,1,0,0,0,0|2,0,0]=3 1401 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000210206_100000692301 [0,1,0,0,0,0|2,0,0]=3 1402 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000692301_100000210206 [0,1,0,0,0,0|2,0,0]=3 1403 B9R0.7 CC(F)C(=O)NCC(F)F 11a_100000765723_100000062450 [0,1,0,0,0,0|3,0,0]=4 1404 B9R0.7 CC(F)C(=O)NCC(F)F 1626a_100000765723_100000062450 [0,1,0,0,0,0|3,0,0]=4 1405 B9R0.7 CC(F)C(=O)NCC(F)F 240690a_100000765723_100000062450 [0,1,0,0,0,0|3,0,0]=4 1406 B9R0.7 CC(F)C(=O)NCC(F)F 527a_100000765723_100000062450 [0,1,0,0,0,0|3,0,0]=4 1407 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,1,0,0,0,0|0,0,0]=1 1408 B9R0.7 CC(O)CCC(=O)C(C)F 1458a_100000062450_100012276601 [0,1,0,0,0,0|1,0,0]=2 1409 B9R0.7 CC(O)CCC(=O)C(O)O 1458a_100000233687_100012276601 [0,1,0,0,0,0|2,0,0]=3 1410 B9R0.7 CC(O)CCC(=O)N(C)C 1626a_100102631434_100000718519 [0,1,0,0,0,0|1,0,0]=2 1411 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,1,0,0,0,0|1,0,0]=2 1412 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,1,0,0,0,0|1,0,0]=2 1413 B9R0.7 CC(O)CCN(C)C(C)C 269982a_200000211004_100012276601 [0,1,0,0,0,0|2,0,0]=3 1414 B9R0.7 CC(O)CNC(=O)C(C)C 11a_100000210904_100000210198 [0,1,0,0,0,0|1,0,0]=2 1415 B9R0.7 CC(O)CNC(=O)C(C)C 240690a_100000210904_100000210198 [0,1,0,0,0,0|1,0,0]=2 1416 B9R0.7 CC(O)CNC(=O)C(C)C 527a_100000210904_100000210198 [0,1,0,0,0,0|1,0,0]=2 1417 B9R0.7 CC(O)CNC(=O)C(C)F 11a_100000210904_100000062450 [0,1,0,0,0,0|2,0,0]=3 1418 B9R0.7 CC(O)CNC(=O)C(C)F 240690a_100000210904_100000062450 [0,1,0,0,0,0|2,0,0]=3 1419 B9R0.7 CC(O)CNC(=O)C(C)F 527a_100000210904_100000062450 [0,1,0,0,0,0|2,0,0]=3 1420 B9R0.7 CC(O)CNC(=O)C(F)F 11a_100000210904_100000210393 [0,1,0,0,0,0|3,0,0]=4 1421 B9R0.7 CC(O)CNC(=O)C(F)F 240690a_100000210904_100000210393 [0,1,0,0,0,0|3,0,0]=4 1422 B9R0.7 CC(O)CNC(=O)C(F)F 527a_100000210904_100000210393 [0,1,0,0,0,0|3,0,0]=4 1423 B9R0.7 CC(O)CNC(=O)C(O)O 240690a_100000210904_100000233687 [0,1,0,0,0,0|3,0,0]=4 1424 B9R0.7 CC(O)CNC(=O)[C@@H](C)O 240690a_100000210904_100000717761 [0,1,0,0,0,0|2,0,0]=3 1425 B9R0.7 CC(O)CNC(=O)[C@H](C)O 240690a_100000210904_217856618621 [0,1,0,0,0,0|2,0,0]=3 1426 B9R0.7 CC(O)CNC(C)C(C)C 2230a_100000211541_100011218427 [0,1,0,0,0,0|2,0,1]=4 1427 B9R0.7 CC(O)COC(C)C(C)C 7a_100000748068_100011218427 [0,1,0,0,0,0|2,0,1]=4 1428 B9R0.7 CN(C)C(=O)CCC(=O)N 240690a_100102631434_100011215257 [0,1,0,0,0,0|2,0,1]=4 1429 B9R0.7 CN(C)C(=O)CCC(=O)N 527a_100102631434_100011215257 [0,1,0,0,0,0|2,0,1]=4 1430 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,1,0,0,0,0|1,0,1]=3 1431 B9R0.7 CN(C)C(=O)CC[N+](=O)[O-] 11a_100102631434_200000064761 [0,1,0,0,0,0|3,0,0]=4 1432 B9R0.7 CN(C)C(=O)CC[N+](=O)[O-] 1626a_100102631434_200000064761 [0,1,0,0,0,0|3,0,0]=4 1433 B9R0.7 CN(C)C(=O)CC[N+](=O)[O-] 240690a_100102631434_200000064761 [0,1,0,0,0,0|3,0,0]=4 1434 B9R0.7 CN(C)C(=O)CC[S+](C)C 11a_100102631434_100009452791 [0,1,0,0,0,0|2,0,0]=3 1435 B9R0.7 CN(C)C(=O)CC[S+](C)C 1626a_100102631434_100009452791 [0,1,0,0,0,0|2,0,0]=3 1436 B9R0.7 CN(C)C(=O)CC[S+](C)C 240690a_100102631434_100009452791 [0,1,0,0,0,0|2,0,0]=3 1437 B9R0.7 CN(C)C(=O)COC(F)F 11a_100102631434_200000719455 [0,1,0,0,0,0|3,0,0]=4 1438 B9R0.7 CN(C)C(=O)COC(F)F 1626a_100102631434_200000719455 [0,1,0,0,0,0|3,0,0]=4 1439 B9R0.7 CN(C)C(=O)COC(F)F 240690a_100102631434_200000719455 [0,1,0,0,0,0|3,0,0]=4 1440 B9R0.7 CN(C)C(=O)COC(F)F 527a_100102631434_200000719455 [0,1,0,0,0,0|3,0,0]=4 1441 B9R0.7 CN(C)C(=O)CSC(F)F 11a_100102631434_114828291038 [0,1,0,0,0,0|3,0,0]=4 1442 B9R0.7 CN(C)C(=O)CSC(F)F 1626a_100102631434_114828291038 [0,1,0,0,0,0|3,0,0]=4 1443 B9R0.7 CN(C)C(=O)CSC(F)F 240690a_100102631434_114828291038 [0,1,0,0,0,0|3,0,0]=4 1444 B9R0.7 CN(C)C(=O)CSC(F)F 527a_100102631434_114828291038 [0,1,0,0,0,0|3,0,0]=4 1445 B9R0.7 CN(C)CCC(=O)N(C)C 11a_100102631434_100000689311 [0,1,0,0,0,0|2,0,0]=3 1446 B9R0.7 CN(C)CCC(=O)N(C)C 2230a_100102631434_100000737620 [0,1,0,0,0,0|2,0,0]=3 1447 B9R0.7 CN(C)CCC(=O)N(C)C 240690a_100102631434_100000689311 [0,1,0,0,0,0|2,0,0]=3 1448 B9R0.7 CN(C)CCC(=O)N(C)C 269982a_100102631434_100000737620 [0,1,0,0,0,0|2,0,0]=3 1449 B9R0.7 CN(C)CCC(=O)N(C)C 527a_100102631434_100000689311 [0,1,0,0,0,0|2,0,0]=3 1450 B9R0.7 C[C@@H](O)C(=O)NCC(F)F 240690a_100000765723_100000717761 [0,1,0,0,0,0|3,0,0]=4 1451 B9R0.7 C[C@H](O)C(=O)NCC(F)F 1626a_100000765723_217856618621 [0,1,0,0,0,0|3,0,0]=4 1452 B9R0.7 C[C@H](O)C(=O)NCC(F)F 240690a_100000765723_217856618621 [0,1,0,0,0,0|3,0,0]=4 1453 B9R0.8 C#CC(C)C(=O)C#CCC 1458a_100011827653_200000035995 [0,1,0,0,0,0|0,0,3]=4 1454 B9R0.8 C#CC(C)C(=O)C=CCC 1458a_100000212282_200000035995 [0,1,0,0,0,0|0,0,3]=4 1455 B9R0.8 C#CC(C)C(=O)CC=CC 1458a_100121576822_200000035995 [0,1,0,0,0,0|0,0,3]=4 1456 B9R0.8 C#CC(C)C(=O)CCC#N 1458a_100011934036_200000035995 [0,1,0,0,0,0|1,0,2]=4 1457 B9R0.8 C#CC(C)C(=O)CCC=C 1458a_100000749702_200000035995 [0,1,0,0,0,0|0,0,3]=4 1458 B9R0.8 C#CC(C)C(=O)CCCC 1458a_100000210183_200000035995 [0,1,0,0,0,0|0,0,1]=2 1459 B9R0.8 C#CC(C)C(=O)CCOC 1458a_100000749529_200000035995 [0,1,0,0,0,0|1,0,1]=3 1460 B9R0.8 C#CC(C)C(=O)CCSC 1458a_100000174002_200000035995 [0,1,0,0,0,0|1,0,1]=3 1461 B9R0.8 C#CC(C)C(=O)COCC 1458a_100000211967_200000035995 [0,1,0,0,0,0|1,0,1]=3 1462 B9R0.8 C#CC(C)C(=O)CSCC 1458a_100000230394_200000035995 [0,1,0,0,0,0|1,0,1]=3 1463 B9R0.8 C#CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000753159 [0,1,0,0,0,0|0,0,3]=4 1464 B9R0.8 C#CCCC(=O)C(C)C#C 1458a_100000692101_200000035995 [0,1,0,0,0,0|0,0,3]=4 1465 B9R0.8 C#CCCC(=O)C(C)C#N 1458a_100000692101_100000703298 [0,1,0,0,0,0|0,0,3]=4 1466 B9R0.8 C#CCCC(=O)C(C)C#N 1458a_100000753662_100000753159 [0,1,0,0,0,0|0,0,3]=4 1467 B9R0.8 C#CCCC(=O)C(C)C=C 1458a_100011216780_100000753159 [0,1,0,0,0,0|0,0,3]=4 1468 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100000692101_100000758301 [0,1,0,0,0,0|0,0,2]=3 1469 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100011192722_100000753159 [0,1,0,0,0,0|0,0,2]=3 1470 B9R0.8 C#CCCC(=O)C(C)OC 1458a_100000743197_100000753159 [0,1,0,0,0,0|0,0,2]=3 1471 B9R0.8 C#CCCC(=O)C(C)SC 1458a_100000149566_100000753159 [0,1,0,0,0,0|0,0,2]=3 1472 B9R0.8 C#CCCC(=O)C(O)CC 1458a_100011196387_100000753159 [0,1,0,0,0,0|1,0,2]=4 1473 B9R0.8 C#CCCC(=O)C(O)CO 1458a_100011215603_100000753159 [0,1,0,0,0,0|1,0,2]=4 1474 B9R0.8 C#CCCC(=O)N(C)CC 11a_100000225621_100000692101 [0,1,0,0,0,0|1,0,2]=4 1475 B9R0.8 C#CCCC(=O)N(C)CC 1626a_100000225621_100000692101 [0,1,0,0,0,0|1,0,2]=4 1476 B9R0.8 C#CCCC(=O)N(C)CC 240690a_100000225621_100000692101 [0,1,0,0,0,0|1,0,2]=4 1477 B9R0.8 C#CCCC(=O)N(C)CC 527a_100000225621_100000692101 [0,1,0,0,0,0|1,0,2]=4 1478 B9R0.8 C#CCNC(=O)C(C)CC 11a_100000212058_100011192722 [0,1,0,0,0,0|1,0,2]=4 1479 B9R0.8 C#CCNC(=O)C(C)CC 1626a_100000212058_100011192722 [0,1,0,0,0,0|1,0,2]=4 1480 B9R0.8 C#CCNC(=O)C(C)CC 240690a_100000212058_100011192722 [0,1,0,0,0,0|1,0,2]=4 1481 B9R0.8 C#CCNC(=O)C(C)CC 527a_100000212058_100011192722 [0,1,0,0,0,0|1,0,2]=4 1482 B9R0.8 C#CCNC(=O)C(C)NC 2230a_106832991635_100000735948 [0,1,0,0,0,0|1,0,2]=4 1483 B9R0.8 C#CCNC(=O)C(C)NC 34a_100102657272_100000735948 [0,1,0,0,0,0|1,0,2]=4 1484 B9R0.8 C#CCNC(=O)C(C)NC 7a_106832991635_100000735948 [0,1,0,0,0,0|1,0,2]=4 1485 B9R0.8 C#CCNC(=O)C(C)OC 11a_100000212058_100000743197 [0,1,0,0,0,0|1,0,2]=4 1486 B9R0.8 C#CCNC(=O)C(C)OC 1626a_100000212058_100000743197 [0,1,0,0,0,0|1,0,2]=4 1487 B9R0.8 C#CCNC(=O)C(C)OC 240690a_100000212058_100000743197 [0,1,0,0,0,0|1,0,2]=4 1488 B9R0.8 C#CCNC(=O)C(C)OC 34a_100138415774_100000735948 [0,1,0,0,0,0|1,0,2]=4 1489 B9R0.8 C#CCNC(=O)C(C)OC 527a_100000212058_100000743197 [0,1,0,0,0,0|1,0,2]=4 1490 B9R0.8 C#CCNC(=O)C(C)SC 11a_100000212058_100000149566 [0,1,0,0,0,0|1,0,2]=4 1491 B9R0.8 C#CCNC(=O)C(C)SC 1626a_100000212058_100000149566 [0,1,0,0,0,0|1,0,2]=4 1492 B9R0.8 C#CCNC(=O)C(C)SC 240690a_100000212058_100000149566 [0,1,0,0,0,0|1,0,2]=4 1493 B9R0.8 C#CCNC(=O)C(C)SC 527a_100000212058_100000149566 [0,1,0,0,0,0|1,0,2]=4 1494 B9R0.8 C#CCNC(=O)C(C)SC 62a_100000735948_200000210301 [0,1,0,0,0,0|1,0,2]=4 1495 B9R0.8 C#CCNC(=O)C(C)SC 62a_200000210301_100000735948 [0,1,0,0,0,0|1,0,2]=4 1496 B9R0.8 C#CCNC(=O)C(C)S[13CH3] 62a_100000735948_200025704644 [0,1,0,0,0,0|1,0,2]=4 1497 B9R0.8 C#CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735948 [0,1,0,0,0,0|1,0,2]=4 1498 B9R0.8 C/C=C(\C)/C(=O)CCC#N 1458a_100020587367_100011215226 [0,1,0,0,0,0|1,0,2]=4 1499 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,0,0,0,0|0,0,1]=2 1500 B9R0.8 C/C=C(\C)/C(=O)CCCF 1458a_100020587367_100011934791 [0,1,0,0,0,0|1,0,1]=3 1501 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [0,1,0,0,0,0|1,0,1]=3 1502 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [0,1,0,0,0,0|1,0,1]=3 1503 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,1,0,0,0,0|1,0,1]=3 1504 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [0,1,0,0,0,0|1,0,1]=3 1505 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [0,1,0,0,0,0|1,0,1]=3 1506 B9R0.8 C/C=C(\C)/C(=O)NCCF 11a_100000724931_100020587367 [0,1,0,0,0,0|2,0,1]=4 1507 B9R0.8 C/C=C(\C)/C(=O)NCCF 1626a_100000724931_100020587367 [0,1,0,0,0,0|2,0,1]=4 1508 B9R0.8 C/C=C(\C)/C(=O)NNCC 22a_100000756455_100020587367 [0,1,0,0,0,0|2,0,1]=4 1509 B9R0.8 C/C=C/CC(=O)/C(=C/C)/C 1458a_100020587367_100102629194 [0,1,0,0,0,0|0,0,3]=4 1510 B9R0.8 C/C=C/CC(=O)C(C)C#N 1458a_100000753662_100102629194 [0,1,0,0,0,0|0,0,3]=4 1511 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [0,1,0,0,0,0|0,0,2]=3 1512 B9R0.8 C/C=C/CC(=O)C(C)OC 1458a_100000743197_100102629194 [0,1,0,0,0,0|0,0,2]=3 1513 B9R0.8 C/C=C/CC(=O)C(C)SC 1458a_100000149566_100102629194 [0,1,0,0,0,0|0,0,2]=3 1514 B9R0.8 C/C=C/CC(=O)C(O)CC 1458a_100011196387_100102629194 [0,1,0,0,0,0|1,0,2]=4 1515 B9R0.8 C/C=C/CC(=O)C(O)CO 1458a_100011215603_100102629194 [0,1,0,0,0,0|1,0,2]=4 1516 B9R0.8 C=CC(C)C(=O)C/C=C/C 1458a_100011216780_100102629194 [0,1,0,0,0,0|0,0,3]=4 1517 B9R0.8 C=CC(C)C(=O)CC#CC 1458a_100011216780_100000748600 [0,1,0,0,0,0|0,0,3]=4 1518 B9R0.8 C=CC(C)C(=O)CC=CC 1458a_100011216780_100000070051 [0,1,0,0,0,0|0,0,3]=4 1519 B9R0.8 C=CC(C)C(=O)CCC#N 1458a_100011216780_100011215226 [0,1,0,0,0,0|1,0,2]=4 1520 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,1,0,0,0,0|0,0,1]=2 1521 B9R0.8 C=CC(C)C(=O)CCCF 1458a_100011216780_100011934791 [0,1,0,0,0,0|1,0,1]=3 1522 B9R0.8 C=CC(C)C(=O)CCCO 1458a_100011216780_100011215043 [0,1,0,0,0,0|1,0,1]=3 1523 B9R0.8 C=CC(C)C(=O)CCOC 1458a_100011216780_100000233755 [0,1,0,0,0,0|1,0,1]=3 1524 B9R0.8 C=CC(C)C(=O)CCSC 1458a_100011216780_100000751147 [0,1,0,0,0,0|1,0,1]=3 1525 B9R0.8 C=CC(C)C(=O)NCCC 11a_100020643023_100011216780 [0,1,0,0,0,0|1,0,1]=3 1526 B9R0.8 C=CC(C)C(=O)NCCC 1626a_100020643023_100011216780 [0,1,0,0,0,0|1,0,1]=3 1527 B9R0.8 C=CC(C)C(=O)NCCC 240690a_100020643023_100011216780 [0,1,0,0,0,0|1,0,1]=3 1528 B9R0.8 C=CC(C)C(=O)NCCC 527a_100020643023_100011216780 [0,1,0,0,0,0|1,0,1]=3 1529 B9R0.8 C=CC(C)C(=O)NCCF 11a_100000724931_100011216780 [0,1,0,0,0,0|2,0,1]=4 1530 B9R0.8 C=CC(C)C(=O)NCCF 1626a_100000724931_100011216780 [0,1,0,0,0,0|2,0,1]=4 1531 B9R0.8 C=CC(C)C(=O)NCCF 240690a_100000724931_100011216780 [0,1,0,0,0,0|2,0,1]=4 1532 B9R0.8 C=CC(C)C(=O)NCCF 527a_100000724931_100011216780 [0,1,0,0,0,0|2,0,1]=4 1533 B9R0.8 C=CC(C)C(=O)NCCO 240690a_100000210304_100011216780 [0,1,0,0,0,0|2,0,1]=4 1534 B9R0.8 C=CC(C)C(=O)NCCO 527a_100000210304_100011216780 [0,1,0,0,0,0|2,0,1]=4 1535 B9R0.8 C=CC(C)C(=O)NNCC 22a_100000756455_100011216780 [0,1,0,0,0,0|2,0,1]=4 1536 B9R0.8 C=CC(C)N(C)CCCC 269982a_100000207549_100011215867 [0,1,0,0,0,0|2,0,1]=4 1537 B9R0.8 C=CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000754431 [0,1,0,0,0,0|0,0,3]=4 1538 B9R0.8 C=CCCC(=O)C(C)C#N 1458a_100000749702_100000703298 [0,1,0,0,0,0|0,0,3]=4 1539 B9R0.8 C=CCCC(=O)C(C)C#N 1458a_100000753662_100000754431 [0,1,0,0,0,0|0,0,3]=4 1540 B9R0.8 C=CCCC(=O)C(C)C=C 1458a_100011216780_100000754431 [0,1,0,0,0,0|0,0,3]=4 1541 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [0,1,0,0,0,0|0,0,2]=3 1542 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [0,1,0,0,0,0|0,0,2]=3 1543 B9R0.8 C=CCCC(=O)C(C)OC 1458a_100000743197_100000754431 [0,1,0,0,0,0|0,0,2]=3 1544 B9R0.8 C=CCCC(=O)C(C)SC 1458a_100000149566_100000754431 [0,1,0,0,0,0|0,0,2]=3 1545 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [0,1,0,0,0,0|1,0,2]=4 1546 B9R0.8 C=CCCC(=O)C(O)CO 1458a_100011215603_100000754431 [0,1,0,0,0,0|1,0,2]=4 1547 B9R0.8 C=CCCC(=O)N(C)CC 11a_100000225621_100000749702 [0,1,0,0,0,0|1,0,2]=4 1548 B9R0.8 C=CCCC(=O)N(C)CC 1626a_100000225621_100000749702 [0,1,0,0,0,0|1,0,2]=4 1549 B9R0.8 C=CCCC(=O)N(C)CC 240690a_100000225621_100000749702 [0,1,0,0,0,0|1,0,2]=4 1550 B9R0.8 C=CCCC(=O)N(C)CC 527a_100000225621_100000749702 [0,1,0,0,0,0|1,0,2]=4 1551 B9R0.8 C=CCNC(=O)C(C)CC 1626a_100020586998_100011192722 [0,1,0,0,0,0|1,0,2]=4 1552 B9R0.8 C=CCNC(=O)C(C)CC 240690a_100020586998_100011192722 [0,1,0,0,0,0|1,0,2]=4 1553 B9R0.8 C=CCNC(=O)C(C)CC 527a_100020586998_100011192722 [0,1,0,0,0,0|1,0,2]=4 1554 B9R0.8 C=CCNC(=O)C(C)NC 2230a_106832991635_100000230288 [0,1,0,0,0,0|1,0,2]=4 1555 B9R0.8 C=CCNC(=O)C(C)NC 7a_106832991635_100000230288 [0,1,0,0,0,0|1,0,2]=4 1556 B9R0.8 C=CCNC(=O)C(C)OC 1626a_100020586998_100000743197 [0,1,0,0,0,0|1,0,2]=4 1557 B9R0.8 C=CCNC(=O)C(C)OC 240690a_100020586998_100000743197 [0,1,0,0,0,0|1,0,2]=4 1558 B9R0.8 C=CCNC(=O)C(C)OC 527a_100020586998_100000743197 [0,1,0,0,0,0|1,0,2]=4 1559 B9R0.8 C=CCNC(=O)C(C)SC 1626a_100020586998_100000149566 [0,1,0,0,0,0|1,0,2]=4 1560 B9R0.8 C=CCNC(=O)C(C)SC 240690a_100020586998_100000149566 [0,1,0,0,0,0|1,0,2]=4 1561 B9R0.8 C=CCNC(=O)C(C)SC 527a_100020586998_100000149566 [0,1,0,0,0,0|1,0,2]=4 1562 B9R0.8 C=CCNC(=O)C(C)SC 62a_100000230288_200000210301 [0,1,0,0,0,0|1,0,2]=4 1563 B9R0.8 C=CCNC(=O)C(C)SC 62a_200000210301_100000230288 [0,1,0,0,0,0|1,0,2]=4 1564 B9R0.8 C=CCNC(=O)C(C)S[13CH3] 62a_100000230288_200025704644 [0,1,0,0,0,0|1,0,2]=4 1565 B9R0.8 C=CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230288 [0,1,0,0,0,0|1,0,2]=4 1566 B9R0.8 CC#CCC(=O)/C(=C/C)/C 1458a_100020587367_100000748600 [0,1,0,0,0,0|0,0,3]=4 1567 B9R0.8 CC#CCC(=O)C(C)C#N 1458a_100000753662_100000748600 [0,1,0,0,0,0|0,0,3]=4 1568 B9R0.8 CC#CCC(=O)C(C)CC 1458a_100011192722_100000748600 [0,1,0,0,0,0|0,0,2]=3 1569 B9R0.8 CC#CCC(=O)C(C)OC 1458a_100000743197_100000748600 [0,1,0,0,0,0|0,0,2]=3 1570 B9R0.8 CC#CCC(=O)C(C)SC 1458a_100000149566_100000748600 [0,1,0,0,0,0|0,0,2]=3 1571 B9R0.8 CC#CCC(=O)C(O)CC 1458a_100011196387_100000748600 [0,1,0,0,0,0|1,0,2]=4 1572 B9R0.8 CC#CCC(=O)C(O)CO 1458a_100011215603_100000748600 [0,1,0,0,0,0|1,0,2]=4 1573 B9R0.8 CC(C#N)C(=O)CCC#N 1458a_100000753662_100011215226 [0,1,0,0,0,0|1,0,2]=4 1574 B9R0.8 CC(C#N)C(=O)CCC#N 1458a_100011934036_100000703298 [0,1,0,0,0,0|1,0,2]=4 1575 B9R0.8 CC(C#N)C(=O)CCCF 1458a_100000753662_100011934791 [0,1,0,0,0,0|1,0,1]=3 1576 B9R0.8 CC(C#N)C(=O)CCCO 1458a_100000753662_100011215043 [0,1,0,0,0,0|1,0,1]=3 1577 B9R0.8 CC(C#N)C(=O)NCCF 11a_100000724931_100000753662 [0,1,0,0,0,0|2,0,1]=4 1578 B9R0.8 CC(C#N)C(=O)NCCF 1626a_100000724931_100000753662 [0,1,0,0,0,0|2,0,1]=4 1579 B9R0.8 CC(C#N)C(=O)NCCF 240690a_100000724931_100000753662 [0,1,0,0,0,0|2,0,1]=4 1580 B9R0.8 CC(C#N)C(=O)NCCF 527a_100000724931_100000753662 [0,1,0,0,0,0|2,0,1]=4 1581 B9R0.8 CC(C#N)C(=O)NCCO 240690a_100000210304_100000753662 [0,1,0,0,0,0|2,0,1]=4 1582 B9R0.8 CC(C#N)C(=O)NCCO 527a_100000210304_100000753662 [0,1,0,0,0,0|2,0,1]=4 1583 B9R0.8 CC(CO)N(C)CCCF 2230a_100000693034_100011934791 [0,1,0,0,0,0|3,0,0]=4 1584 B9R0.8 CC(CO)N(C)CCCF 269982a_100000693034_100011934791 [0,1,0,0,0,0|3,0,0]=4 1585 B9R0.8 CC(CO)N(C)CCCO 2230a_100000213112_100012180447 [0,1,0,0,0,0|3,0,0]=4 1586 B9R0.8 CC(CO)N(C)CCCO 2230a_100000693034_100000230001 [0,1,0,0,0,0|3,0,0]=4 1587 B9R0.8 CC(CO)N(C)CCCO 269982a_100000693034_100011215043 [0,1,0,0,0,0|3,0,0]=4 1588 B9R0.8 CC=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000070051 [0,1,0,0,0,0|0,0,3]=4 1589 B9R0.8 CC=CCC(=O)C(C)C#N 1458a_100000753662_100000070051 [0,1,0,0,0,0|0,0,3]=4 1590 B9R0.8 CC=CCC(=O)C(C)C#N 1458a_100121576822_100000703298 [0,1,0,0,0,0|0,0,3]=4 1591 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [0,1,0,0,0,0|0,0,2]=3 1592 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [0,1,0,0,0,0|0,0,2]=3 1593 B9R0.8 CC=CCC(=O)C(C)OC 1458a_100000743197_100000070051 [0,1,0,0,0,0|0,0,2]=3 1594 B9R0.8 CC=CCC(=O)C(C)SC 1458a_100000149566_100000070051 [0,1,0,0,0,0|0,0,2]=3 1595 B9R0.8 CC=CCC(=O)C(O)CC 1458a_100011196387_100000070051 [0,1,0,0,0,0|1,0,2]=4 1596 B9R0.8 CC=CCC(=O)C(O)CO 1458a_100011215603_100000070051 [0,1,0,0,0,0|1,0,2]=4 1597 B9R0.8 CC=CCC(=O)N(C)CC 11a_100000225621_100121576822 [0,1,0,0,0,0|1,0,2]=4 1598 B9R0.8 CC=CCC(=O)N(C)CC 1626a_100000225621_100121576822 [0,1,0,0,0,0|1,0,2]=4 1599 B9R0.8 CC=CCC(=O)N(C)CC 240690a_100000225621_100121576822 [0,1,0,0,0,0|1,0,2]=4 1600 B9R0.8 CC=CCC(=O)N(C)CC 527a_100000225621_100121576822 [0,1,0,0,0,0|1,0,2]=4 1601 B9R0.8 CC=NNC(=O)C(C)CC 4a_100000740736_200000210099 [0,1,0,0,0,0|2,0,1]=4 1602 B9R0.8 CC=NNC(=O)C(C)OC 4a_100000243824_200000210099 [0,1,0,0,0,0|2,0,1]=4 1603 B9R0.8 CCC#CC(=O)C(C)C#N 1458a_100011827653_100000703298 [0,1,0,0,0,0|0,0,3]=4 1604 B9R0.8 CCC#CC(=O)C(C)CC 1458a_100011827653_100000758301 [0,1,0,0,0,0|0,0,2]=3 1605 B9R0.8 CCC(C)C(=O)C#CCO 1458a_100000049017_100000758301 [0,1,0,0,0,0|1,0,2]=4 1606 B9R0.8 CCC(C)C(=O)C=COC 1458a_100016268678_100000758301 [0,1,0,0,0,0|1,0,2]=4 1607 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011192722_100011215226 [0,1,0,0,0,0|1,0,1]=3 1608 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011934036_100000758301 [0,1,0,0,0,0|1,0,1]=3 1609 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,1,0,0,0,0|1,0,0]=2 1610 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,1,0,0,0,0|1,0,0]=2 1611 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,1,0,0,0,0|1,0,0]=2 1612 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,1,0,0,0,0|1,0,0]=2 1613 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,1,0,0,0,0|1,0,0]=2 1614 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,1,0,0,0,0|1,0,0]=2 1615 B9R0.8 CCC(C)C(=O)NCC#N 1626a_100000734998_100011192722 [0,1,0,0,0,0|2,0,1]=4 1616 B9R0.8 CCC(C)C(=O)NCC#N 527a_100000734998_100011192722 [0,1,0,0,0,0|2,0,1]=4 1617 B9R0.8 CCC(C)C(=O)NCCF 11a_100000724931_100011192722 [0,1,0,0,0,0|2,0,0]=3 1618 B9R0.8 CCC(C)C(=O)NCCF 1626a_100000724931_100011192722 [0,1,0,0,0,0|2,0,0]=3 1619 B9R0.8 CCC(C)C(=O)NCCF 240690a_100000724931_100011192722 [0,1,0,0,0,0|2,0,0]=3 1620 B9R0.8 CCC(C)C(=O)NCCF 527a_100000724931_100011192722 [0,1,0,0,0,0|2,0,0]=3 1621 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [0,1,0,0,0,0|2,0,0]=3 1622 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [0,1,0,0,0,0|2,0,0]=3 1623 B9R0.8 CCC(C)N(C)CCCF 2230a_100000741768_100011934791 [0,1,0,0,0,0|3,0,0]=4 1624 B9R0.8 CCC(C)N(C)CCCF 269982a_100000741768_100011934791 [0,1,0,0,0,0|3,0,0]=4 1625 B9R0.8 CCC(C)N(C)CCCO 2230a_100000213112_100000758301 [0,1,0,0,0,0|3,0,0]=4 1626 B9R0.8 CCC(C)N(C)CCCO 2230a_100000741768_100000230001 [0,1,0,0,0,0|3,0,0]=4 1627 B9R0.8 CCC(C)N(C)CCCO 269982a_100000213112_100000758301 [0,1,0,0,0,0|3,0,0]=4 1628 B9R0.8 CCC(C)N(C)CCCO 269982a_100000741768_100011215043 [0,1,0,0,0,0|3,0,0]=4 1629 B9R0.8 CCC(C)N(C)CCOC 2230a_100000741768_100011201679 [0,1,0,0,0,0|3,0,0]=4 1630 B9R0.8 CCC(C)N(C)CCOC 2230a_100000743101_100000758301 [0,1,0,0,0,0|3,0,0]=4 1631 B9R0.8 CCC(C)N(C)CCOC 2230a_200000740884_200000210301 [0,1,0,0,0,0|3,0,0]=4 1632 B9R0.8 CCC(C)N(C)CCOC 269982a_100000741768_100000233755 [0,1,0,0,0,0|3,0,0]=4 1633 B9R0.8 CCC(C)N(C)CCOC 269982a_100000743101_100000758301 [0,1,0,0,0,0|3,0,0]=4 1634 B9R0.8 CCC(C)N(C)CCOC 269982a_200000740884_200000210301 [0,1,0,0,0,0|3,0,0]=4 1635 B9R0.8 CCC(C)N(C)CCSC 2230a_100000686725_100000758301 [0,1,0,0,0,0|3,0,0]=4 1636 B9R0.8 CCC(C)N(C)CCSC 2230a_100000741768_100000751147 [0,1,0,0,0,0|3,0,0]=4 1637 B9R0.8 CCC(C)N(C)CCSC 269982a_100000686725_100000758301 [0,1,0,0,0,0|3,0,0]=4 1638 B9R0.8 CCC(C)N(C)CCSC 269982a_100000741768_100000212216 [0,1,0,0,0,0|3,0,0]=4 1639 B9R0.8 CCC(C)N([13CH3])CCOC 2230a_200000740884_200025704644 [0,1,0,0,0,0|3,0,0]=4 1640 B9R0.8 CCC(C)N([13CH3])CCOC 269982a_200000740884_200025704644 [0,1,0,0,0,0|3,0,0]=4 1641 B9R0.8 CCC(O)C(=O)CCC#N 1458a_100011196387_100011215226 [0,1,0,0,0,0|2,0,1]=4 1642 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,1,0,0,0,0|2,0,0]=3 1643 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,1,0,0,0,0|2,0,0]=3 1644 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,1,0,0,0,0|2,0,0]=3 1645 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,1,0,0,0,0|2,0,0]=3 1646 B9R0.8 CCC(O)C(=O)NCCF 240690a_100000724931_100011196387 [0,1,0,0,0,0|3,0,0]=4 1647 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [0,1,0,0,0,0|3,0,0]=4 1648 B9R0.8 CCC=CC(=O)C(C)C#N 1458a_100000212282_100000703298 [0,1,0,0,0,0|0,0,3]=4 1649 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [0,1,0,0,0,0|0,0,2]=3 1650 B9R0.8 CCC=CC(=O)N(C)CC 11a_100000225621_100000212282 [0,1,0,0,0,0|1,0,2]=4 1651 B9R0.8 CCC=CC(=O)N(C)CC 1626a_100000225621_100000212282 [0,1,0,0,0,0|1,0,2]=4 1652 B9R0.8 CCC=CC(=O)N(C)CC 240690a_100000225621_100000212282 [0,1,0,0,0,0|1,0,2]=4 1653 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,0,0,0,0|1,0,1]=3 1654 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000210183_100000703298 [0,1,0,0,0,0|0,0,1]=2 1655 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000753662_100000210211 [0,1,0,0,0,0|0,0,1]=2 1656 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,1,0,0,0,0|0,0,0]=1 1657 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,1,0,0,0,0|0,0,0]=1 1658 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,1,0,0,0,0|0,0,0]=1 1659 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,1,0,0,0,0|0,0,0]=1 1660 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,1,0,0,0,0|1,0,0]=2 1661 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,1,0,0,0,0|1,0,0]=2 1662 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,1,0,0,0,0|1,0,0]=2 1663 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,1,0,0,0,0|1,0,0]=2 1664 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,1,0,0,0,0|1,0,0]=2 1665 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,1,0,0,0,0|1,0,0]=2 1666 B9R0.8 CCCCC(C)N(C)CC 2230a_100000225621_200011215066 [0,1,0,0,0,0|2,0,1]=4 1667 B9R0.8 CCCCC(C)N(C)CC 269982a_100000225621_200011215066 [0,1,0,0,0,0|2,0,1]=4 1668 B9R0.8 CCCCN(C)C(C)C#N 2230a_100000207549_100000184139 [0,1,0,0,0,0|2,0,1]=4 1669 B9R0.8 CCCCN(C)C(C)C#N 269982a_100000207549_100000703298 [0,1,0,0,0,0|2,0,1]=4 1670 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207357_200000210301 [0,1,0,0,0,0|2,0,0]=3 1671 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207549_100000758301 [0,1,0,0,0,0|2,0,0]=3 1672 B9R0.8 CCCCN(C)C(C)CC 2230a_100000741768_100000210211 [0,1,0,0,0,0|2,0,0]=3 1673 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207357_200000210301 [0,1,0,0,0,0|2,0,0]=3 1674 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207549_100000758301 [0,1,0,0,0,0|2,0,0]=3 1675 B9R0.8 CCCCN(C)C(C)CC 269982a_100000741768_100000210211 [0,1,0,0,0,0|2,0,0]=3 1676 B9R0.8 CCCCN(C)C(C)CO 2230a_100000207549_100012180447 [0,1,0,0,0,0|2,0,0]=3 1677 B9R0.8 CCCCN(C)C(C)CO 2230a_100000693034_100000210211 [0,1,0,0,0,0|2,0,0]=3 1678 B9R0.8 CCCCN(C)C(C)CO 269982a_100000693034_100000210211 [0,1,0,0,0,0|2,0,0]=3 1679 B9R0.8 CCCCN(C)C(C)OC 269982a_100000207549_100009879195 [0,1,0,0,0,0|2,0,0]=3 1680 B9R0.8 CCCCN(C)[C@H](C)CO 269982a_100000207549_100016084084 [0,1,0,0,0,0|2,0,0]=3 1681 B9R0.8 CCCCN([13CH3])C(C)CC 2230a_100000207357_200025704644 [0,1,0,0,0,0|2,0,0]=3 1682 B9R0.8 CCCCN([13CH3])C(C)CC 269982a_100000207357_200025704644 [0,1,0,0,0,0|2,0,0]=3 1683 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,0,0,0,0|2,0,1]=4 1684 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,1,0,0,0,0|2,0,1]=4 1685 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,1,0,0,0,0|2,0,1]=4 1686 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,1,0,0,0,0|2,0,1]=4 1687 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,1,0,0,0,0|2,0,1]=4 1688 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,1,0,0,0,0|2,0,1]=4 1689 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,1,0,0,0,0|2,0,1]=4 1690 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,1,0,0,0,0|2,0,1]=4 1691 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 1692 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 1693 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 1694 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 1695 B9R0.8 CCCNC(=O)C(C)C#N 11a_100020643023_100000753662 [0,1,0,0,0,0|1,0,1]=3 1696 B9R0.8 CCCNC(=O)C(C)C#N 1626a_100020643023_100000753662 [0,1,0,0,0,0|1,0,1]=3 1697 B9R0.8 CCCNC(=O)C(C)C#N 240690a_100020643023_100000753662 [0,1,0,0,0,0|1,0,1]=3 1698 B9R0.8 CCCNC(=O)C(C)C#N 527a_100020643023_100000753662 [0,1,0,0,0,0|1,0,1]=3 1699 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,1,0,0,0,0|1,0,0]=2 1700 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,1,0,0,0,0|1,0,0]=2 1701 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,1,0,0,0,0|1,0,0]=2 1702 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,1,0,0,0,0|1,0,0]=2 1703 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [0,1,0,0,0,0|1,0,0]=2 1704 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [0,1,0,0,0,0|1,0,0]=2 1705 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [0,1,0,0,0,0|1,0,0]=2 1706 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [0,1,0,0,0,0|1,0,0]=2 1707 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [0,1,0,0,0,0|1,0,0]=2 1708 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [0,1,0,0,0,0|1,0,0]=2 1709 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [0,1,0,0,0,0|1,0,0]=2 1710 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [0,1,0,0,0,0|1,0,0]=2 1711 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [0,1,0,0,0,0|1,0,0]=2 1712 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [0,1,0,0,0,0|1,0,0]=2 1713 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [0,1,0,0,0,0|1,0,0]=2 1714 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [0,1,0,0,0,0|1,0,0]=2 1715 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [0,1,0,0,0,0|1,0,0]=2 1716 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [0,1,0,0,0,0|1,0,0]=2 1717 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [0,1,0,0,0,0|1,0,0]=2 1718 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [0,1,0,0,0,0|1,0,0]=2 1719 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [0,1,0,0,0,0|1,0,0]=2 1720 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [0,1,0,0,0,0|1,0,0]=2 1721 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [0,1,0,0,0,0|1,0,0]=2 1722 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [0,1,0,0,0,0|1,0,0]=2 1723 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,1,0,0,0,0|2,0,0]=3 1724 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [0,1,0,0,0,0|2,0,0]=3 1725 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [0,1,0,0,0,0|2,0,0]=3 1726 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [0,1,0,0,0,0|2,0,0]=3 1727 B9R0.8 CCCNC(C)C(C)CC 269862a_100020643023_100000210599 [0,1,0,0,0,0|2,0,1]=4 1728 B9R0.8 CCCNC(C)C(C)CC 270004a_100020643023_100000210599 [0,1,0,0,0,0|2,0,1]=4 1729 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,1,0,0,0,0|1,0,0]=2 1730 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,1,0,0,0,0|1,0,0]=2 1731 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,1,0,0,0,0|1,0,0]=2 1732 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,1,0,0,0,0|1,0,0]=2 1733 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,1,0,0,0,0|1,0,0]=2 1734 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,1,0,0,0,0|1,0,0]=2 1735 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,1,0,0,0,0|1,0,0]=2 1736 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,1,0,0,0,0|1,0,0]=2 1737 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,1,0,0,0,0|1,0,0]=2 1738 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,1,0,0,0,0|1,0,0]=2 1739 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,1,0,0,0,0|1,0,0]=2 1740 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,1,0,0,0,0|1,0,0]=2 1741 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [0,1,0,0,0,0|2,0,1]=4 1742 B9R0.8 CCN(C)C(=O)CCC#N 11a_100000225621_100011934036 [0,1,0,0,0,0|2,0,1]=4 1743 B9R0.8 CCN(C)C(=O)CCC#N 1626a_100000225621_100011934036 [0,1,0,0,0,0|2,0,1]=4 1744 B9R0.8 CCN(C)C(=O)CCC#N 240690a_100000225621_100011934036 [0,1,0,0,0,0|2,0,1]=4 1745 B9R0.8 CCN(C)C(=O)CCC#N 527a_100000225621_100011934036 [0,1,0,0,0,0|2,0,1]=4 1746 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,1,0,0,0,0|2,0,0]=3 1747 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,1,0,0,0,0|2,0,0]=3 1748 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,1,0,0,0,0|2,0,0]=3 1749 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,1,0,0,0,0|2,0,0]=3 1750 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,1,0,0,0,0|2,0,0]=3 1751 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,1,0,0,0,0|2,0,0]=3 1752 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,1,0,0,0,0|2,0,0]=3 1753 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,1,0,0,0,0|2,0,0]=3 1754 B9R0.8 CCN(C)C(=O)CSCF 62a_100000738999_100015361967 [0,1,0,0,0,0|3,0,0]=4 1755 B9R0.8 CCN(C)C(=O)CSCF 62a_100015361967_100000738999 [0,1,0,0,0,0|3,0,0]=4 1756 B9R0.8 CCN(C)C(=O)NCCF 273464a_100000724931_100000225621 [0,1,0,0,0,0|3,0,0]=4 1757 B9R0.8 CCN(C)C(=O)NCCO 273464a_100000210304_100000225621 [0,1,0,0,0,0|3,0,0]=4 1758 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [0,1,0,0,0,0|2,0,0]=3 1759 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015207273_100000210202 [0,1,0,0,0,0|2,0,0]=3 1760 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015525214_100000764215 [0,1,0,0,0,0|2,0,0]=3 1761 B9R0.8 CCNN=C(C)C(C)CC 4a_100000756455_100000210599 [0,1,0,0,0,0|3,0,0]=4 1762 B9R0.8 CCNN=C(C)C(C)CO 4a_100000756455_100000032740 [0,1,0,0,0,0|3,0,0]=4 1763 B9R0.8 CCNN=C(C)C(C)SC 4a_100000756455_200011218923 [0,1,0,0,0,0|3,0,0]=4 1764 B9R0.8 CCNNC(=O)C(C)C#N 22a_100000756455_100000753662 [0,1,0,0,0,0|2,0,1]=4 1765 B9R0.8 CCNNC(=O)C(C)CC 22a_100000756455_100011192722 [0,1,0,0,0,0|2,0,0]=3 1766 B9R0.8 CCNNC(=O)C(C)OC 22a_100000756455_100000743197 [0,1,0,0,0,0|2,0,0]=3 1767 B9R0.8 CCNNC(=O)C(C)SC 22a_100000756455_100000149566 [0,1,0,0,0,0|2,0,0]=3 1768 B9R0.8 CCNNC(=O)C(O)CC 22a_100000756455_100011196387 [0,1,0,0,0,0|3,0,0]=4 1769 B9R0.8 CCNNC(=O)C(O)CO 22a_100000756455_100011215603 [0,1,0,0,0,0|3,0,0]=4 1770 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,0,0,0,0|2,0,1]=4 1771 B9R0.8 CCOCC(=O)C(C)C#N 1458a_100000211967_100000703298 [0,1,0,0,0,0|1,0,1]=3 1772 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,1,0,0,0,0|1,0,0]=2 1773 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,1,0,0,0,0|2,0,0]=3 1774 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,1,0,0,0,0|2,0,0]=3 1775 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,1,0,0,0,0|2,0,0]=3 1776 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,1,0,0,0,0|2,0,0]=3 1777 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,1,0,0,0,0|2,0,0]=3 1778 B9R0.8 CCOCN(C)C(C)CC 269982a_100000741768_100000739092 [0,1,0,0,0,0|3,0,0]=4 1779 B9R0.8 CCOCN(C)C(C)CO 269982a_100000693034_100000739092 [0,1,0,0,0,0|3,0,0]=4 1780 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,1,0,0,0,0|2,0,1]=4 1781 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,1,0,0,0,0|2,0,1]=4 1782 B9R0.8 CCSCC(=O)C(C)C#N 1458a_100000230394_100000703298 [0,1,0,0,0,0|1,0,1]=3 1783 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [0,1,0,0,0,0|1,0,0]=2 1784 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [0,1,0,0,0,0|2,0,0]=3 1785 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [0,1,0,0,0,0|2,0,0]=3 1786 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [0,1,0,0,0,0|2,0,0]=3 1787 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [0,1,0,0,0,0|2,0,0]=3 1788 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [0,1,0,0,0,0|2,0,0]=3 1789 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [0,1,0,0,0,0|2,0,0]=3 1790 B9R0.8 CCSCC(=O)N(C)OC 62a_100000210202_100000764215 [0,1,0,0,0,0|2,0,0]=3 1791 B9R0.8 CCSCC(=O)N(C)OC 62a_100000764215_100000210202 [0,1,0,0,0,0|2,0,0]=3 1792 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,1,0,0,0,0|2,0,1]=4 1793 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,1,0,0,0,0|2,0,1]=4 1794 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,1,0,0,0,0|2,0,1]=4 1795 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,1,0,0,0,0|2,0,1]=4 1796 B9R0.8 COC(C)C(=O)CCC#N 1458a_100000743197_100011215226 [0,1,0,0,0,0|1,0,1]=3 1797 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [0,1,0,0,0,0|1,0,0]=2 1798 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,1,0,0,0,0|1,0,0]=2 1799 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,1,0,0,0,0|1,0,0]=2 1800 B9R0.8 COC(C)C(=O)NCC#N 1626a_100000734998_100000743197 [0,1,0,0,0,0|2,0,1]=4 1801 B9R0.8 COC(C)C(=O)NCC#N 527a_100000734998_100000743197 [0,1,0,0,0,0|2,0,1]=4 1802 B9R0.8 COC(C)C(=O)NCCF 11a_100000724931_100000743197 [0,1,0,0,0,0|2,0,0]=3 1803 B9R0.8 COC(C)C(=O)NCCF 1626a_100000724931_100000743197 [0,1,0,0,0,0|2,0,0]=3 1804 B9R0.8 COC(C)C(=O)NCCF 240690a_100000724931_100000743197 [0,1,0,0,0,0|2,0,0]=3 1805 B9R0.8 COC(C)C(=O)NCCF 527a_100000724931_100000743197 [0,1,0,0,0,0|2,0,0]=3 1806 B9R0.8 COC(C)C(=O)NCCO 240690a_100000210304_100000743197 [0,1,0,0,0,0|2,0,0]=3 1807 B9R0.8 COC(C)C(=O)NCCO 527a_100000210304_100000743197 [0,1,0,0,0,0|2,0,0]=3 1808 B9R0.8 COC(C)N(C)CCCO 269982a_100000213112_100009879195 [0,1,0,0,0,0|3,0,0]=4 1809 B9R0.8 COC(C)N(C)CCSC 269982a_100000686725_100009879195 [0,1,0,0,0,0|3,0,0]=4 1810 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000749529_100000703298 [0,1,0,0,0,0|1,0,1]=3 1811 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000753662_100000233755 [0,1,0,0,0,0|1,0,1]=3 1812 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [0,1,0,0,0,0|1,0,0]=2 1813 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [0,1,0,0,0,0|1,0,0]=2 1814 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,1,0,0,0,0|2,0,0]=3 1815 B9R0.8 COCCN(C)C(C)CO 2230a_100000693034_100011201679 [0,1,0,0,0,0|3,0,0]=4 1816 B9R0.8 COCCN(C)C(C)CO 2230a_100000743101_100012180447 [0,1,0,0,0,0|3,0,0]=4 1817 B9R0.8 COCCN(C)C(C)CO 269982a_100000693034_100000233755 [0,1,0,0,0,0|3,0,0]=4 1818 B9R0.8 COCCN(C)C(C)OC 269982a_100000743101_100009879195 [0,1,0,0,0,0|3,0,0]=4 1819 B9R0.8 COCCN(C)[C@H](C)CO 269982a_100000743101_100016084084 [0,1,0,0,0,0|3,0,0]=4 1820 B9R0.8 CON(C)C(=O)CSCF 62a_100000764215_100015361967 [0,1,0,0,0,0|3,0,0]=4 1821 B9R0.8 CON(C)C(=O)CSCF 62a_100015361967_100000764215 [0,1,0,0,0,0|3,0,0]=4 1822 B9R0.8 CSC(C)C(=O)CCC#N 1458a_100000149566_100011215226 [0,1,0,0,0,0|1,0,1]=3 1823 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [0,1,0,0,0,0|1,0,0]=2 1824 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [0,1,0,0,0,0|1,0,0]=2 1825 B9R0.8 CSC(C)C(=O)NCC#N 1626a_100000734998_100000149566 [0,1,0,0,0,0|2,0,1]=4 1826 B9R0.8 CSC(C)C(=O)NCC#N 527a_100000734998_100000149566 [0,1,0,0,0,0|2,0,1]=4 1827 B9R0.8 CSC(C)C(=O)NCCF 11a_100000724931_100000149566 [0,1,0,0,0,0|2,0,0]=3 1828 B9R0.8 CSC(C)C(=O)NCCF 1626a_100000724931_100000149566 [0,1,0,0,0,0|2,0,0]=3 1829 B9R0.8 CSC(C)C(=O)NCCF 240690a_100000724931_100000149566 [0,1,0,0,0,0|2,0,0]=3 1830 B9R0.8 CSC(C)C(=O)NCCF 527a_100000724931_100000149566 [0,1,0,0,0,0|2,0,0]=3 1831 B9R0.8 CSC(C)C(=O)NCCO 240690a_100000210304_100000149566 [0,1,0,0,0,0|2,0,0]=3 1832 B9R0.8 CSC(C)C(=O)NCCO 527a_100000210304_100000149566 [0,1,0,0,0,0|2,0,0]=3 1833 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000174002_100000703298 [0,1,0,0,0,0|1,0,1]=3 1834 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000753662_100000751147 [0,1,0,0,0,0|1,0,1]=3 1835 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [0,1,0,0,0,0|1,0,0]=2 1836 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,1,0,0,0,0|2,0,0]=3 1837 B9R0.8 CSCCN(C)C(C)CO 2230a_100000686725_100012180447 [0,1,0,0,0,0|3,0,0]=4 1838 B9R0.8 CSCCN(C)C(C)CO 2230a_100000693034_100000751147 [0,1,0,0,0,0|3,0,0]=4 1839 B9R0.8 CSCCN(C)C(C)CO 269982a_100000693034_100000212216 [0,1,0,0,0,0|3,0,0]=4 1840 B9R0.8 CSCCN(C)[C@H](C)CO 269982a_100000686725_100016084084 [0,1,0,0,0,0|3,0,0]=4 1841 B9R0.8 C[C@H](CO)N(C)CCCO 269982a_100000213112_100016084084 [0,1,0,0,0,0|3,0,0]=4 1842 B9R0.8 N#CCCC(=O)C(O)CO 1458a_100011215603_100011215226 [0,1,0,0,0,0|2,0,1]=4 1843 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [0,1,0,0,0,0|2,0,0]=3 1844 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,1,0,0,0,0|2,0,0]=3 1845 B9R0.8 O=C(NCCF)C(O)CO 240690a_100000724931_100011215603 [0,1,0,0,0,0|3,0,0]=4 1846 B9R0.8 O=C(NCCO)C(O)CO 240690a_100000210304_100011215603 [0,1,0,0,0,0|3,0,0]=4 1847 B9R0.13 C#CC(OCCC)C(C)C 34a_100011217124_100000210303 [0,1,0,0,0,0|2,0,1]=4 1848 B9R0.13 C#CC(OCCC)C(C)C 7a_100011217124_100000210303 [0,1,0,0,0,0|2,0,1]=4 1849 B9R0.13 C=CC(OCCC)C(C)C 34a_100000732651_100000210303 [0,1,0,0,0,0|2,0,1]=4 1850 B9R0.13 C=CC(OCCC)C(C)C 7a_100000732651_100000210303 [0,1,0,0,0,0|2,0,1]=4 1851 B9R0.13 CC(C)N(CF)CCCO 269982a_100000182298_100015361967 [0,1,0,0,0,0|3,0,0]=4 1852 B9R0.13 CCCCC(CC)N(C)C 269982a_100102631434_200011216223 [0,1,0,0,0,0|2,0,1]=4 1853 B9R0.13 CCCCC(CC)N(C)C 270004a_100102631434_100000753412 [0,1,0,0,0,0|2,0,1]=4 1854 B9R0.13 CCCCC(NC)C(C)C 270004a_106832991635_200011215219 [0,1,0,0,0,0|1,0,1]=3 1855 B9R0.13 CCCCN(CC)C(C)C 2230a_100000207398_100000210202 [0,1,0,0,0,0|2,0,0]=3 1856 B9R0.13 CCCCN(CC)C(C)C 2230a_100000207695_100000210206 [0,1,0,0,0,0|2,0,0]=3 1857 B9R0.13 CCCCN(CC)C(C)C 2230a_100000223864_100000210211 [0,1,0,0,0,0|2,0,0]=3 1858 B9R0.13 CCCCN(CC)C(C)C 269982a_100000207398_100000204670 [0,1,0,0,0,0|2,0,0]=3 1859 B9R0.13 CCCCN(CC)C(C)C 269982a_100000207695_100000210206 [0,1,0,0,0,0|2,0,0]=3 1860 B9R0.13 CCCCN(CC)C(C)C 269982a_100000223864_100000210211 [0,1,0,0,0,0|2,0,0]=3 1861 B9R0.13 CCCCN(CF)C(C)C 269982a_100000207398_100015361967 [0,1,0,0,0,0|2,0,0]=3 1862 B9R0.13 CCCNC(CC)C(C)C 270004a_100020643023_100000210600 [0,1,0,0,0,0|2,0,1]=4 1863 B9R0.13 CCCN[C@@H](CO)C(C)C 2230a_100011830312_100000210303 [0,1,0,0,0,0|1,0,2]=4 1864 B9R0.13 CCCN[C@@H](CO)C(C)C 34a_100011830312_100000210303 [0,1,0,0,0,0|1,0,2]=4 1865 B9R0.13 CCCOC(C#N)C(C)C 34a_100000748901_100000210303 [0,1,0,0,0,0|2,0,1]=4 1866 B9R0.13 CCCOC(C#N)C(C)C 7a_100000748901_100000210303 [0,1,0,0,0,0|2,0,1]=4 1867 B9R0.13 CCCOC(CC)C(C)C 34a_100011218073_100000210303 [0,1,0,0,0,0|2,0,1]=4 1868 B9R0.13 CCCOC(CC)C(C)C 7a_100011218073_100000210303 [0,1,0,0,0,0|2,0,1]=4 1869 B9R0.13 CCCOC(CN)C(C)C 34a_100000759067_100000210303 [0,1,0,0,0,0|2,0,1]=4 1870 B9R0.13 CCN(CCCF)C(C)C 2230a_100000223864_100011934791 [0,1,0,0,0,0|3,0,0]=4 1871 B9R0.13 CCN(CCCF)C(C)C 269982a_100000223864_100011934791 [0,1,0,0,0,0|3,0,0]=4 1872 B9R0.13 CCN(CCCO)C(C)C 2230a_100000182298_100000210202 [0,1,0,0,0,0|3,0,0]=4 1873 B9R0.13 CCN(CCCO)C(C)C 2230a_100000223864_100000230001 [0,1,0,0,0,0|3,0,0]=4 1874 B9R0.13 CCN(CCCO)C(C)C 269982a_100000182298_100000204670 [0,1,0,0,0,0|3,0,0]=4 1875 B9R0.13 CCN(CCCO)C(C)C 269982a_100000223864_100011215043 [0,1,0,0,0,0|3,0,0]=4 1876 B9R0.13 CCN(CCOC)C(C)C 2230a_100000223864_100011201679 [0,1,0,0,0,0|3,0,0]=4 1877 B9R0.13 CCN(CCOC)C(C)C 2230a_100000731262_100000210206 [0,1,0,0,0,0|3,0,0]=4 1878 B9R0.13 CCN(CCOC)C(C)C 2230a_200000223778_100000210202 [0,1,0,0,0,0|3,0,0]=4 1879 B9R0.13 CCN(CCOC)C(C)C 269982a_100000223864_100000233755 [0,1,0,0,0,0|3,0,0]=4 1880 B9R0.13 CCN(CCOC)C(C)C 269982a_100000731262_100000210206 [0,1,0,0,0,0|3,0,0]=4 1881 B9R0.13 CCN(CCOC)C(C)C 269982a_200000223778_100000204670 [0,1,0,0,0,0|3,0,0]=4 1882 B9R0.13 CCN(CCSC)C(C)C 2230a_100000223864_100000751147 [0,1,0,0,0,0|3,0,0]=4 1883 B9R0.13 CCN(CCSC)C(C)C 269982a_100000223864_100000212216 [0,1,0,0,0,0|3,0,0]=4 1884 B9R0.13 CCNCC(CC)C(C)C 269862a_100015525214_100011214906 [0,1,0,0,0,0|2,0,1]=4 1885 B9R0.13 CCNCC(CO)C(C)C 34a_100000692819_100000210202 [0,1,0,0,0,0|1,0,2]=4 1886 B9R0.13 CCNN=C(CC)C(C)C 4a_100000756455_100000210600 [0,1,0,0,0,0|3,0,0]=4 1887 B9R0.13 CCOCC(CC)C(C)C 34a_100011995916_100000210202 [0,1,0,0,0,0|2,0,1]=4 1888 B9R0.13 CCOCC(CC)C(C)C 7a_100011995916_100000210202 [0,1,0,0,0,0|2,0,1]=4 1889 B9R0.13 CCOCC(CN)C(C)C 34a_100000692819_100000210202 [0,1,0,0,0,0|2,0,1]=4 1890 B9R0.13 CCOCN(CC)C(C)C 269982a_100000223864_100000739092 [0,1,0,0,0,0|3,0,0]=4 1891 B9R0.13 COCCN(CF)C(C)C 269982a_200000223778_100015361967 [0,1,0,0,0,0|3,0,0]=4 1892 B9R0.42 C#CC(=O)CC(=O)C(C)C 1458a_100000211873_100000753385 [0,1,0,0,0,0|0,0,3]=4 1893 B9R0.42 C#CC(C)NC(=O)C(C)C 11a_100000707721_100000210198 [0,1,0,0,0,0|1,0,2]=4 1894 B9R0.42 C#CC(C)NC(=O)C(C)C 1626a_100000707721_100000210198 [0,1,0,0,0,0|1,0,2]=4 1895 B9R0.42 C#CC(C)NC(=O)C(C)C 240690a_100000707721_100000210198 [0,1,0,0,0,0|1,0,2]=4 1896 B9R0.42 C#CC(C)NC(=O)C(C)C 527a_100000707721_100000210198 [0,1,0,0,0,0|1,0,2]=4 1897 B9R0.42 C=C(C#N)CC(=O)C(C)C 1458a_100000210198_100000694840 [0,1,0,0,0,0|1,0,2]=4 1898 B9R0.42 C=C(C)C(=O)CC(=O)CC 1458a_100000185857_100000747405 [0,1,0,0,0,0|0,0,3]=4 1899 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,1,0,0,0,0|0,0,2]=3 1900 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [0,1,0,0,0,0|0,0,2]=3 1901 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,1,0,0,0,0|0,0,2]=3 1902 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [0,1,0,0,0,0|1,0,2]=4 1903 B9R0.42 C=C(C)C(=O)NC(C)CC 11a_100000209981_100000185857 [0,1,0,0,0,0|1,0,2]=4 1904 B9R0.42 C=C(C)C(=O)NC(C)CC 1626a_100000209981_100000185857 [0,1,0,0,0,0|1,0,2]=4 1905 B9R0.42 C=CC(=O)CC(=O)C(C)C 1458a_100000185746_100000753385 [0,1,0,0,0,0|0,0,3]=4 1906 B9R0.42 C=CC(C)CC(=O)C(C)C 1458a_100011934298_100000210206 [0,1,0,0,0,0|0,0,2]=3 1907 B9R0.42 C=CC(C)CC(=O)N(C)C 11a_100102631434_100011934298 [0,1,0,0,0,0|1,0,2]=4 1908 B9R0.42 C=CC(C)CC(=O)N(C)C 1626a_100102631434_100011934298 [0,1,0,0,0,0|1,0,2]=4 1909 B9R0.42 C=CC(C)CC(=O)N(C)C 240690a_100102631434_100011934298 [0,1,0,0,0,0|1,0,2]=4 1910 B9R0.42 C=CC(C)CC(=O)N(C)C 527a_100102631434_100011934298 [0,1,0,0,0,0|1,0,2]=4 1911 B9R0.42 CC(C#N)NC(=O)C(C)C 11a_100000737613_100000210198 [0,1,0,0,0,0|2,0,1]=4 1912 B9R0.42 CC(C#N)NC(=O)C(C)C 1626a_100000737613_100000210198 [0,1,0,0,0,0|2,0,1]=4 1913 B9R0.42 CC(C#N)NC(=O)C(C)C 527a_100000737613_100000210198 [0,1,0,0,0,0|2,0,1]=4 1914 B9R0.42 CC(C)C(=O)CC(=O)CO 1458a_100000210174_100000753385 [0,1,0,0,0,0|1,0,1]=3 1915 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,1,0,0,0,0|1,0,0]=2 1916 B9R0.42 CC(C)C(=O)N[C@H](C)CF 11a_100102880703_100000210198 [0,1,0,0,0,0|2,0,0]=3 1917 B9R0.42 CC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000210198 [0,1,0,0,0,0|2,0,0]=3 1918 B9R0.42 CC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000210198 [0,1,0,0,0,0|2,0,0]=3 1919 B9R0.42 CC(C)C(=O)N[C@H](C)CF 527a_100102880703_100000210198 [0,1,0,0,0,0|2,0,0]=3 1920 B9R0.42 CC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000210198 [0,1,0,0,0,0|2,0,0]=3 1921 B9R0.42 CC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000210198 [0,1,0,0,0,0|2,0,0]=3 1922 B9R0.42 CC(C)N(C)CC(O)CO 2230a_100000702902_200000210301 [0,1,0,0,0,0|3,0,0]=4 1923 B9R0.42 CC(C)N(C)CC(O)CO 2230a_100011216503_100000210206 [0,1,0,0,0,0|3,0,0]=4 1924 B9R0.42 CC(C)N(C)CC(O)CO 269982a_100000702902_200000210301 [0,1,0,0,0,0|3,0,0]=4 1925 B9R0.42 CC(C)N(C)CC(O)CO 269982a_100011216503_100000210206 [0,1,0,0,0,0|3,0,0]=4 1926 B9R0.42 CC(C)N(C)C[C@@H](C)CO 269982a_200000211004_100000059175 [0,1,0,0,0,0|3,0,0]=4 1927 B9R0.42 CC(C)N([13CH3])CC(O)CO 2230a_100000702902_200025704644 [0,1,0,0,0,0|3,0,0]=4 1928 B9R0.42 CC(C)N([13CH3])CC(O)CO 269982a_100000702902_200025704644 [0,1,0,0,0,0|3,0,0]=4 1929 B9R0.42 CC(F)C(=O)C[C@@H](C)CO 1458a_100000062450_100000059175 [0,1,0,0,0,0|2,0,0]=3 1930 B9R0.42 CC(F)C(=O)N[C@H](C)CF 11a_100102880703_100000062450 [0,1,0,0,0,0|3,0,0]=4 1931 B9R0.42 CC(F)C(=O)N[C@H](C)CF 1626a_100102880703_100000062450 [0,1,0,0,0,0|3,0,0]=4 1932 B9R0.42 CC(F)C(=O)N[C@H](C)CF 240690a_100102880703_100000062450 [0,1,0,0,0,0|3,0,0]=4 1933 B9R0.42 CC(F)C(=O)N[C@H](C)CF 527a_100102880703_100000062450 [0,1,0,0,0,0|3,0,0]=4 1934 B9R0.42 CC(F)C(=O)N[C@H](C)CO 240690a_100000737577_100000062450 [0,1,0,0,0,0|3,0,0]=4 1935 B9R0.42 CC(F)C(=O)N[C@H](C)CO 527a_100000737577_100000062450 [0,1,0,0,0,0|3,0,0]=4 1936 B9R0.42 CCC(=CC(=O)C(C)C)C 1458a_100020758463_100000210206 [0,1,0,0,0,0|0,0,2]=3 1937 B9R0.42 CCC(=CC(=O)N(C)C)C 11a_100102631434_100020758463 [0,1,0,0,0,0|1,0,2]=4 1938 B9R0.42 CCC(=CC(=O)N(C)C)C 1626a_100102631434_100020758463 [0,1,0,0,0,0|1,0,2]=4 1939 B9R0.42 CCC(=CC(=O)N(C)C)C 240690a_100102631434_100020758463 [0,1,0,0,0,0|1,0,2]=4 1940 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,1,0,0,0,0|1,0,2]=4 1941 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [0,1,0,0,0,0|0,0,1]=2 1942 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [0,1,0,0,0,0|0,0,1]=2 1943 B9R0.42 CCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747405 [0,1,0,0,0,0|1,0,1]=3 1944 B9R0.42 CCC(=O)CC(=O)C(O)O 1458a_100000233687_100000747405 [0,1,0,0,0,0|2,0,1]=4 1945 B9R0.42 CCC(=O)CC(=O)N(C)C 1458a_100000210414_100000185267 [0,1,0,0,0,0|1,0,1]=3 1946 B9R0.42 CCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747405 [0,1,0,0,0,0|1,0,1]=3 1947 B9R0.42 CCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747405 [0,1,0,0,0,0|1,0,1]=3 1948 B9R0.42 CCC(=O)CN(C)C(C)C 1458a_100000743827_100000210202 [0,1,0,0,0,0|2,0,1]=4 1949 B9R0.42 CCC(=O)CN(C)C(C)C 269982a_200000211004_100000747405 [0,1,0,0,0,0|2,0,1]=4 1950 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [0,1,0,0,0,0|0,0,0]=1 1951 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [0,1,0,0,0,0|0,0,0]=1 1952 B9R0.42 CCC(C)CC(=O)C(C)F 1458a_100000062450_100000748023 [0,1,0,0,0,0|1,0,0]=2 1953 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [0,1,0,0,0,0|2,0,0]=3 1954 B9R0.42 CCC(C)CC(=O)N(C)C 11a_100102631434_100000708755 [0,1,0,0,0,0|1,0,0]=2 1955 B9R0.42 CCC(C)CC(=O)N(C)C 1626a_100102631434_100000708755 [0,1,0,0,0,0|1,0,0]=2 1956 B9R0.42 CCC(C)CC(=O)N(C)C 240690a_100102631434_100000708755 [0,1,0,0,0,0|1,0,0]=2 1957 B9R0.42 CCC(C)CC(=O)N(C)C 527a_100102631434_100000708755 [0,1,0,0,0,0|1,0,0]=2 1958 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,1,0,0,0,0|1,0,0]=2 1959 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,1,0,0,0,0|1,0,0]=2 1960 B9R0.42 CCC(C)CC(C)N(C)C 270004a_100102631434_100011710205 [0,1,0,0,0,0|2,0,1]=4 1961 B9R0.42 CCC(C)CN(C)C(C)C 2230a_100000753921_100000210206 [0,1,0,0,0,0|2,0,0]=3 1962 B9R0.42 CCC(C)CN(C)C(C)C 269982a_100000753921_100000210206 [0,1,0,0,0,0|2,0,0]=3 1963 B9R0.42 CCC(C)CN(C)C(C)C 269982a_200000211004_100000748023 [0,1,0,0,0,0|2,0,0]=3 1964 B9R0.42 CCC(C)CN(C)C(C)C 270004a_200000211004_100000243153 [0,1,0,0,0,0|2,0,0]=3 1965 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,1,0,0,0,0|2,0,1]=4 1966 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,1,0,0,0,0|2,0,1]=4 1967 B9R0.42 CCC(C)NC(=O)C(C)C 11a_100000209981_100000210198 [0,1,0,0,0,0|1,0,0]=2 1968 B9R0.42 CCC(C)NC(=O)C(C)C 1626a_100000209981_100000210198 [0,1,0,0,0,0|1,0,0]=2 1969 B9R0.42 CCC(C)NC(=O)C(C)C 240690a_100000209981_100000210198 [0,1,0,0,0,0|1,0,0]=2 1970 B9R0.42 CCC(C)NC(=O)C(C)C 527a_100000209981_100000210198 [0,1,0,0,0,0|1,0,0]=2 1971 B9R0.42 CCC(C)NC(=O)C(C)F 11a_100000209981_100000062450 [0,1,0,0,0,0|2,0,0]=3 1972 B9R0.42 CCC(C)NC(=O)C(C)F 1626a_100000209981_100000062450 [0,1,0,0,0,0|2,0,0]=3 1973 B9R0.42 CCC(C)NC(=O)C(C)F 240690a_100000209981_100000062450 [0,1,0,0,0,0|2,0,0]=3 1974 B9R0.42 CCC(C)NC(=O)C(C)F 527a_100000209981_100000062450 [0,1,0,0,0,0|2,0,0]=3 1975 B9R0.42 CCC(C)NC(=O)C(F)F 11a_100000209981_100000210393 [0,1,0,0,0,0|3,0,0]=4 1976 B9R0.42 CCC(C)NC(=O)C(F)F 1626a_100000209981_100000210393 [0,1,0,0,0,0|3,0,0]=4 1977 B9R0.42 CCC(C)NC(=O)C(F)F 240690a_100000209981_100000210393 [0,1,0,0,0,0|3,0,0]=4 1978 B9R0.42 CCC(C)NC(=O)C(F)F 527a_100000209981_100000210393 [0,1,0,0,0,0|3,0,0]=4 1979 B9R0.42 CCC(C)NC(=O)C(O)O 240690a_100000209981_100000233687 [0,1,0,0,0,0|3,0,0]=4 1980 B9R0.42 CCC(C)NC(=O)N(C)C 2708a_100000209981_100102631434 [0,1,0,0,0,0|2,0,0]=3 1981 B9R0.42 CCC(C)NC(=O)[C@@H](C)O 240690a_100000209981_100000717761 [0,1,0,0,0,0|2,0,0]=3 1982 B9R0.42 CCC(C)NC(=O)[C@H](C)O 1626a_100000209981_217856618621 [0,1,0,0,0,0|2,0,0]=3 1983 B9R0.42 CCC(C)NC(=O)[C@H](C)O 240690a_100000209981_217856618621 [0,1,0,0,0,0|2,0,0]=3 1984 B9R0.42 CCC(C)NC(C)C(C)C 2230a_100000211541_100000758301 [0,1,0,0,0,0|2,0,1]=4 1985 B9R0.42 CCC(C)OC(C)C(C)C 7a_100000748068_100000758301 [0,1,0,0,0,0|2,0,1]=4 1986 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100000210198_100011218378 [0,1,0,0,0,0|0,0,0]=1 1987 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100011667805_100000210206 [0,1,0,0,0,0|0,0,0]=1 1988 B9R0.42 CCC(O)CC(=O)C(C)F 1458a_100000062450_100011218378 [0,1,0,0,0,0|1,0,0]=2 1989 B9R0.42 CCC(O)CC(=O)C(O)O 1458a_100000233687_100011218378 [0,1,0,0,0,0|2,0,0]=3 1990 B9R0.42 CCC(O)CC(=O)N(C)C 1626a_100102631434_100011667805 [0,1,0,0,0,0|1,0,0]=2 1991 B9R0.42 CCC(O)CC(=O)N(C)C 240690a_100102631434_100011667805 [0,1,0,0,0,0|1,0,0]=2 1992 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [0,1,0,0,0,0|1,0,0]=2 1993 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [0,1,0,0,0,0|1,0,0]=2 1994 B9R0.42 CCC(O)CN(C)C(C)C 269982a_200000211004_100011218378 [0,1,0,0,0,0|2,0,0]=3 1995 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,1,0,0,0,0|2,0,1]=4 1996 B9R0.42 CCN(C)CC(=O)C(C)C 1458a_100116209913_100000210206 [0,1,0,0,0,0|1,0,0]=2 1997 B9R0.42 CCN(C)CC(=O)C(C)C 2230a_100000225621_100000753385 [0,1,0,0,0,0|1,0,0]=2 1998 B9R0.42 CCN(C)CC(=O)C(C)C 269982a_100000225621_100000753385 [0,1,0,0,0,0|1,0,0]=2 1999 B9R0.42 CCN(C)CC(=O)N(C)C 2230a_100000185065_100000210202 [0,1,0,0,0,0|2,0,0]=3 2000 B9R0.42 CCN(C)CC(=O)N(C)C 2230a_100000225621_100000185267 [0,1,0,0,0,0|2,0,0]=3 2001 B9R0.42 CCN(C)CC(=O)N(C)C 240690a_100102631434_100116209913 [0,1,0,0,0,0|2,0,0]=3 2002 B9R0.42 CCN(C)CC(=O)N(C)C 269982a_100000225621_100000185267 [0,1,0,0,0,0|2,0,0]=3 2003 B9R0.42 CCN(C)CC(=O)N(C)C 527a_100102631434_100116209913 [0,1,0,0,0,0|2,0,0]=3 2004 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [0,1,0,0,0,0|0,0,0]=1 2005 B9R0.42 CC[C@H](C)CC(=O)C(C)F 1458a_100000062450_100009816398 [0,1,0,0,0,0|1,0,0]=2 2006 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [0,1,0,0,0,0|2,0,0]=3 2007 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,1,0,0,0,0|1,0,0]=2 2008 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,1,0,0,0,0|1,0,0]=2 2009 B9R0.42 CC[C@H](C)CN(C)C(C)C 269982a_200000211004_100009816398 [0,1,0,0,0,0|2,0,0]=3 2010 B9R0.42 CN(C)C(=O)CC(=O)CO 1458a_100000210174_100000185267 [0,1,0,0,0,0|2,0,1]=4 2011 B9R0.42 CNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183359 [0,1,0,0,0,0|1,0,1]=3 2012 B9R0.42 CNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183359 [0,1,0,0,0,0|2,0,1]=4 2013 B9R0.42 CNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183359 [0,1,0,0,0,0|2,0,1]=4 2014 B9R0.42 CNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183359 [0,1,0,0,0,0|2,0,1]=4 2015 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [0,1,0,0,0,0|1,0,1]=3 2016 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [0,1,0,0,0,0|1,0,1]=3 2017 B9R0.42 COC(=O)CC(=O)C(C)F 1458a_100000062450_100000747449 [0,1,0,0,0,0|2,0,1]=4 2018 B9R0.42 COC(=O)CC(=O)N(C)C 240690a_100102631434_100000211351 [0,1,0,0,0,0|2,0,1]=4 2019 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [0,1,0,0,0,0|2,0,1]=4 2020 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [0,1,0,0,0,0|2,0,1]=4 2021 B9R0.42 C[C@@H](CO)CC(=O)C(O)O 1458a_100000233687_100000059175 [0,1,0,0,0,0|3,0,0]=4 2022 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,1,0,0,0,0|2,0,0]=3 2023 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,1,0,0,0,0|2,0,0]=3 2024 B9R0.42 C[C@H](CF)NC(=O)[C@@H](C)O 240690a_100102880703_100000717761 [0,1,0,0,0,0|3,0,0]=4 2025 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 1626a_100102880703_217856618621 [0,1,0,0,0,0|3,0,0]=4 2026 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 240690a_100102880703_217856618621 [0,1,0,0,0,0|3,0,0]=4 2027 B9R0.42 C[C@H](CO)NC(=O)[C@@H](C)O 240690a_100000737577_100000717761 [0,1,0,0,0,0|3,0,0]=4 2028 B9R0.42 C[C@H](CO)NC(=O)[C@H](C)O 240690a_100000737577_217856618621 [0,1,0,0,0,0|3,0,0]=4 2029 B9R0.47 C#CCCCC(=O)C(=C)C 1458a_100000185857_100000731252 [0,1,0,0,0,0|0,0,3]=4 2030 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [0,1,0,0,0,0|0,0,1]=2 2031 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [0,1,0,0,0,0|0,0,1]=2 2032 B9R0.47 C#CCCCC(=O)C(C)F 1458a_100000062450_100000731252 [0,1,0,0,0,0|1,0,1]=3 2033 B9R0.47 C#CCCCC(=O)C(O)O 1458a_100000233687_100000731252 [0,1,0,0,0,0|2,0,1]=4 2034 B9R0.47 C#CCCCC(=O)N(C)C 11a_100102631434_100000690238 [0,1,0,0,0,0|1,0,1]=3 2035 B9R0.47 C#CCCCC(=O)N(C)C 1626a_100102631434_100000690238 [0,1,0,0,0,0|1,0,1]=3 2036 B9R0.47 C#CCCCC(=O)N(C)C 240690a_100102631434_100000690238 [0,1,0,0,0,0|1,0,1]=3 2037 B9R0.47 C#CCCCC(=O)N(C)C 527a_100102631434_100000690238 [0,1,0,0,0,0|1,0,1]=3 2038 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [0,1,0,0,0,0|1,0,1]=3 2039 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [0,1,0,0,0,0|1,0,1]=3 2040 B9R0.47 C#CCCCN(C)C(C)C 269982a_200000211004_100011215417 [0,1,0,0,0,0|2,0,1]=4 2041 B9R0.47 C#CCCNC(=O)C(C)C 11a_100000755551_100000210198 [0,1,0,0,0,0|0,0,2]=3 2042 B9R0.47 C#CCCNC(=O)C(C)C 1626a_100000755551_100000210198 [0,1,0,0,0,0|0,0,2]=3 2043 B9R0.47 C#CCCNC(=O)C(C)C 240690a_100000755551_100000210198 [0,1,0,0,0,0|0,0,2]=3 2044 B9R0.47 C#CCCNC(=O)C(C)C 527a_100000755551_100000210198 [0,1,0,0,0,0|0,0,2]=3 2045 B9R0.47 C#CCCNC(=O)C(C)F 11a_100000755551_100000062450 [0,1,0,0,0,0|1,0,2]=4 2046 B9R0.47 C#CCCNC(=O)C(C)F 1626a_100000755551_100000062450 [0,1,0,0,0,0|1,0,2]=4 2047 B9R0.47 C#CCCNC(=O)C(C)F 240690a_100000755551_100000062450 [0,1,0,0,0,0|1,0,2]=4 2048 B9R0.47 C#CCCNC(=O)C(C)F 527a_100000755551_100000062450 [0,1,0,0,0,0|1,0,2]=4 2049 B9R0.47 C#CCCNC(=O)N(C)C 2708a_100000755551_100102631434 [0,1,0,0,0,0|1,0,2]=4 2050 B9R0.47 C#CCCNC(=O)[C@@H](C)O 240690a_100000755551_100000717761 [0,1,0,0,0,0|1,0,2]=4 2051 B9R0.47 C#CCCNC(=O)[C@H](C)O 1626a_100000755551_217856618621 [0,1,0,0,0,0|1,0,2]=4 2052 B9R0.47 C#CCCNC(=O)[C@H](C)O 240690a_100000755551_217856618621 [0,1,0,0,0,0|1,0,2]=4 2053 B9R0.47 C#CCNCC(=O)C(C)C 34a_100000212058_100000753385 [0,1,0,0,0,0|0,0,2]=3 2054 B9R0.47 C#CCNCC(=O)N(C)C 2230a_100015183351_100000038162 [0,1,0,0,0,0|1,0,2]=4 2055 B9R0.47 C#CCNCC(=O)N(C)C 34a_100000212058_100000692301 [0,1,0,0,0,0|1,0,2]=4 2056 B9R0.47 C#CCOCC(=O)C(C)C 1458a_100011251226_100000210206 [0,1,0,0,0,0|0,0,2]=3 2057 B9R0.47 C#CCOCC(=O)C(C)C 34a_100000210247_100000753385 [0,1,0,0,0,0|0,0,2]=3 2058 B9R0.47 C#CCOCC(=O)N(C)C 11a_100102631434_100011251226 [0,1,0,0,0,0|1,0,2]=4 2059 B9R0.47 C#CCOCC(=O)N(C)C 1626a_100102631434_100011251226 [0,1,0,0,0,0|1,0,2]=4 2060 B9R0.47 C#CCOCC(=O)N(C)C 34a_100000210247_100000692301 [0,1,0,0,0,0|1,0,2]=4 2061 B9R0.47 C#CCOCC(=O)N(C)C 527a_100102631434_100011251226 [0,1,0,0,0,0|1,0,2]=4 2062 B9R0.47 C#CCSCC(=O)C(C)C 62a_100000038162_100000753385 [0,1,0,0,0,0|0,0,2]=3 2063 B9R0.47 C#CCSCC(=O)N(C)C 62a_100000038162_100000692301 [0,1,0,0,0,0|1,0,2]=4 2064 B9R0.47 C/C=C/C=CC(=O)C(C)C 1458a_100000185730_100000210206 [0,1,0,0,0,0|0,0,3]=4 2065 B9R0.47 C=C(Br)C(=O)NCCCC 11a_100000102301_100009813364 [0,1,0,0,0,0|1,0,2]=4 2066 B9R0.47 C=C(Br)C(=O)NCCCC 1626a_100000102301_100009813364 [0,1,0,0,0,0|1,0,2]=4 2067 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [0,1,0,0,0,0|0,0,3]=4 2068 B9R0.47 C=C(C)C(=O)CC#CCC 1458a_100000185857_100009813939 [0,1,0,0,0,0|0,0,3]=4 2069 B9R0.47 C=C(C)C(=O)CCCC#N 1458a_100000185857_100000211468 [0,1,0,0,0,0|0,0,3]=4 2070 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|0,0,2]=3 2071 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,1,0,0,0,0|0,0,2]=3 2072 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,1,0,0,0,0|0,0,2]=3 2073 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,1,0,0,0,0|0,0,2]=3 2074 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,1,0,0,0,0|0,0,2]=3 2075 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,1,0,0,0,0|0,0,2]=3 2076 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,1,0,0,0,0|0,0,2]=3 2077 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,1,0,0,0,0|0,0,2]=3 2078 B9R0.47 C=C(C)C(=O)NCCCF 11a_100015189416_100000185857 [0,1,0,0,0,0|1,0,2]=4 2079 B9R0.47 C=C(C)C(=O)NCCCF 1626a_100015189416_100000185857 [0,1,0,0,0,0|1,0,2]=4 2080 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,1,0,0,0,0|1,0,2]=4 2081 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,1,0,0,0,0|1,0,2]=4 2082 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,1,0,0,0,0|1,0,2]=4 2083 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,1,0,0,0,0|1,0,2]=4 2084 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,1,0,0,0,0|1,0,2]=4 2085 B9R0.47 C=C(C)C(=O)NNCCC 22a_100000740057_100000185857 [0,1,0,0,0,0|1,0,2]=4 2086 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,1,0,0,0,0|1,0,2]=4 2087 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,1,0,0,0,0|1,0,2]=4 2088 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,1,0,0,0,0|1,0,2]=4 2089 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,1,0,0,0,0|1,0,2]=4 2090 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,1,0,0,0,0|1,0,2]=4 2091 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,1,0,0,0,0|1,0,2]=4 2092 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,1,0,0,0,0|1,0,2]=4 2093 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,1,0,0,0,0|1,0,2]=4 2094 B9R0.47 C=C(Cl)C(=O)NCCCC 11a_100000102301_100000039160 [0,1,0,0,0,0|1,0,2]=4 2095 B9R0.47 C=C(Cl)C(=O)NCCCC 1626a_100000102301_100000039160 [0,1,0,0,0,0|1,0,2]=4 2096 B9R0.47 C=C(F)C(=O)NCCCC 11a_100000102301_100000036797 [0,1,0,0,0,0|1,0,2]=4 2097 B9R0.47 C=C(F)C(=O)NCCCC 1626a_100000102301_100000036797 [0,1,0,0,0,0|1,0,2]=4 2098 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [0,1,0,0,0,0|0,0,3]=4 2099 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,1,0,0,0,0|0,0,1]=2 2100 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,1,0,0,0,0|0,0,1]=2 2101 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [0,1,0,0,0,0|1,0,1]=3 2102 B9R0.47 C=CCCCC(=O)C(O)O 1458a_100000233687_100000757094 [0,1,0,0,0,0|2,0,1]=4 2103 B9R0.47 C=CCCCC(=O)N(C)C 11a_100102631434_100000766728 [0,1,0,0,0,0|1,0,1]=3 2104 B9R0.47 C=CCCCC(=O)N(C)C 1626a_100102631434_100000766728 [0,1,0,0,0,0|1,0,1]=3 2105 B9R0.47 C=CCCCC(=O)N(C)C 240690a_100102631434_100000766728 [0,1,0,0,0,0|1,0,1]=3 2106 B9R0.47 C=CCCCC(=O)N(C)C 527a_100102631434_100000766728 [0,1,0,0,0,0|1,0,1]=3 2107 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,1,0,0,0,0|1,0,1]=3 2108 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,1,0,0,0,0|1,0,1]=3 2109 B9R0.47 C=CCCCN(C)C(C)C 269982a_200000211004_100000757094 [0,1,0,0,0,0|2,0,1]=4 2110 B9R0.47 C=CCCNC(=O)C(C)C 11a_100015191253_100000210198 [0,1,0,0,0,0|0,0,2]=3 2111 B9R0.47 C=CCCNC(=O)C(C)C 1626a_100015191253_100000210198 [0,1,0,0,0,0|0,0,2]=3 2112 B9R0.47 C=CCCNC(=O)C(C)C 240690a_100015191253_100000210198 [0,1,0,0,0,0|0,0,2]=3 2113 B9R0.47 C=CCCNC(=O)C(C)C 527a_100015191253_100000210198 [0,1,0,0,0,0|0,0,2]=3 2114 B9R0.47 C=CCCNC(=O)C(C)F 11a_100015191253_100000062450 [0,1,0,0,0,0|1,0,2]=4 2115 B9R0.47 C=CCCNC(=O)C(C)F 1626a_100015191253_100000062450 [0,1,0,0,0,0|1,0,2]=4 2116 B9R0.47 C=CCCNC(=O)C(C)F 240690a_100015191253_100000062450 [0,1,0,0,0,0|1,0,2]=4 2117 B9R0.47 C=CCCNC(=O)C(C)F 527a_100015191253_100000062450 [0,1,0,0,0,0|1,0,2]=4 2118 B9R0.47 C=CCCNC(=O)N(C)C 2708a_100015191253_100102631434 [0,1,0,0,0,0|1,0,2]=4 2119 B9R0.47 C=CCCNC(=O)[C@@H](C)O 240690a_100015191253_100000717761 [0,1,0,0,0,0|1,0,2]=4 2120 B9R0.47 C=CCCNC(=O)[C@H](C)O 1626a_100015191253_217856618621 [0,1,0,0,0,0|1,0,2]=4 2121 B9R0.47 C=CCCNC(=O)[C@H](C)O 240690a_100015191253_217856618621 [0,1,0,0,0,0|1,0,2]=4 2122 B9R0.47 C=CCNCC(=O)C(C)C 2230a_100020586998_100000753385 [0,1,0,0,0,0|0,0,2]=3 2123 B9R0.47 C=CCNCC(=O)N(C)C 2230a_100015183351_100000210623 [0,1,0,0,0,0|1,0,2]=4 2124 B9R0.47 C=CCNCC(=O)N(C)C 2230a_100020586998_100000185267 [0,1,0,0,0,0|1,0,2]=4 2125 B9R0.47 C=CCNNC(=O)C(C)C 22a_100020588587_100000210198 [0,1,0,0,0,0|1,0,2]=4 2126 B9R0.47 C=CCOCC(=O)C(C)C 34a_200000210373_100000753385 [0,1,0,0,0,0|0,0,2]=3 2127 B9R0.47 C=CCOCC(=O)N(C)C 34a_200000210373_100000692301 [0,1,0,0,0,0|1,0,2]=4 2128 B9R0.47 C=CCSCC(=O)C(C)C 1458a_100000230395_100000210206 [0,1,0,0,0,0|0,0,2]=3 2129 B9R0.47 C=CCSCC(=O)C(C)C 62a_100000210623_100000753385 [0,1,0,0,0,0|0,0,2]=3 2130 B9R0.47 C=CCSCC(=O)C(C)C 62a_100000753385_100000210623 [0,1,0,0,0,0|0,0,2]=3 2131 B9R0.47 C=CCSCC(=O)N(C)C 11a_100102631434_100000230395 [0,1,0,0,0,0|1,0,2]=4 2132 B9R0.47 C=CCSCC(=O)N(C)C 1626a_100102631434_100000230395 [0,1,0,0,0,0|1,0,2]=4 2133 B9R0.47 C=CCSCC(=O)N(C)C 240690a_100102631434_100000230395 [0,1,0,0,0,0|1,0,2]=4 2134 B9R0.47 C=CCSCC(=O)N(C)C 527a_100102631434_100000230395 [0,1,0,0,0,0|1,0,2]=4 2135 B9R0.47 C=CCSCC(=O)N(C)C 62a_100000210623_100000692301 [0,1,0,0,0,0|1,0,2]=4 2136 B9R0.47 C=CCSCC(=O)N(C)C 62a_100000692301_100000210623 [0,1,0,0,0,0|1,0,2]=4 2137 B9R0.47 C=COCCC(=O)C(C)C 1458a_100000210198_100000039644 [0,1,0,0,0,0|0,0,2]=3 2138 B9R0.47 C=COCCC(=O)C(C)F 1458a_100000062450_100000039644 [0,1,0,0,0,0|1,0,2]=4 2139 B9R0.47 C=COCCC(=O)[C@@H](C)O 1458a_100000717761_100000039644 [0,1,0,0,0,0|1,0,2]=4 2140 B9R0.47 C=COCCC(=O)[C@H](C)O 1458a_217856618621_100000039644 [0,1,0,0,0,0|1,0,2]=4 2141 B9R0.47 CC#CCNC(=O)C(C)C 11a_100000685387_100000210198 [0,1,0,0,0,0|0,0,2]=3 2142 B9R0.47 CC#CCNC(=O)C(C)C 1626a_100000685387_100000210198 [0,1,0,0,0,0|0,0,2]=3 2143 B9R0.47 CC#CCNC(=O)C(C)C 527a_100000685387_100000210198 [0,1,0,0,0,0|0,0,2]=3 2144 B9R0.47 CC#CCNC(=O)C(C)F 11a_100000685387_100000062450 [0,1,0,0,0,0|1,0,2]=4 2145 B9R0.47 CC#CCNC(=O)C(C)F 1626a_100000685387_100000062450 [0,1,0,0,0,0|1,0,2]=4 2146 B9R0.47 CC#CCNC(=O)C(C)F 527a_100000685387_100000062450 [0,1,0,0,0,0|1,0,2]=4 2147 B9R0.47 CC#CCNC(=O)[C@H](C)O 1626a_100000685387_217856618621 [0,1,0,0,0,0|1,0,2]=4 2148 B9R0.47 CC(=NNCCO)C(C)C 4a_100000210001_100000211110 [0,1,0,0,0,0|3,0,0]=4 2149 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,1,0,0,0,0|2,0,1]=4 2150 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,1,0,0,0,0|2,0,1]=4 2151 B9R0.47 CC(=O)C(=O)COCCBr 34a_100000211926_100011261029 [0,1,0,0,0,0|2,0,1]=4 2152 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,1,0,0,0,0|2,0,1]=4 2153 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011217306_100011261029 [0,1,0,0,0,0|2,0,1]=4 2154 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011261029_100011217306 [0,1,0,0,0,0|2,0,1]=4 2155 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,1,0,0,0,0|2,0,1]=4 2156 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,1,0,0,0,0|2,0,1]=4 2157 B9R0.47 CC(C)C(=O)CC#CCO 1458a_100000210198_200000047223 [0,1,0,0,0,0|0,0,2]=3 2158 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [0,1,0,0,0,0|0,0,1]=2 2159 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [0,1,0,0,0,0|0,0,1]=2 2160 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,1,0,0,0,0|0,0,0]=1 2161 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,1,0,0,0,0|0,0,0]=1 2162 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,1,0,0,0,0|0,0,0]=1 2163 B9R0.47 CC(C)C(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210206 [0,1,0,0,0,0|2,0,0]=3 2164 B9R0.47 CC(C)C(=O)CNCCF 34a_100000724931_100000753385 [0,1,0,0,0,0|1,0,0]=2 2165 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,1,0,0,0,0|1,0,0]=2 2166 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,1,0,0,0,0|1,0,0]=2 2167 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [0,1,0,0,0,0|1,0,0]=2 2168 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [0,1,0,0,0,0|1,0,0]=2 2169 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,1,0,0,0,0|1,0,0]=2 2170 B9R0.47 CC(C)C(=O)CSCC#N 1458a_100000150266_100000210206 [0,1,0,0,0,0|1,0,1]=3 2171 B9R0.47 CC(C)C(=O)CSCC#N 62a_100000753385_100011215382 [0,1,0,0,0,0|1,0,1]=3 2172 B9R0.47 CC(C)C(=O)CSCC#N 62a_100011215382_100000753385 [0,1,0,0,0,0|1,0,1]=3 2173 B9R0.47 CC(C)C(=O)CSCC=O 62a_100000753385_200015260668 [0,1,0,0,0,0|1,0,1]=3 2174 B9R0.47 CC(C)C(=O)CSCC=O 62a_200015260668_100000753385 [0,1,0,0,0,0|1,0,1]=3 2175 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [0,1,0,0,0,0|1,0,0]=2 2176 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [0,1,0,0,0,0|1,0,0]=2 2177 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,1,0,0,0,0|1,0,0]=2 2178 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,1,0,0,0,0|1,0,0]=2 2179 B9R0.47 CC(C)C(=O)NCCC#N 11a_100000720768_100000210198 [0,1,0,0,0,0|1,0,1]=3 2180 B9R0.47 CC(C)C(=O)NCCC#N 1626a_100000720768_100000210198 [0,1,0,0,0,0|1,0,1]=3 2181 B9R0.47 CC(C)C(=O)NCCC#N 240690a_100000720768_100000210198 [0,1,0,0,0,0|1,0,1]=3 2182 B9R0.47 CC(C)C(=O)NCCC#N 527a_100000720768_100000210198 [0,1,0,0,0,0|1,0,1]=3 2183 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [0,1,0,0,0,0|1,0,0]=2 2184 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [0,1,0,0,0,0|1,0,0]=2 2185 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [0,1,0,0,0,0|1,0,0]=2 2186 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [0,1,0,0,0,0|1,0,0]=2 2187 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,1,0,0,0,0|1,0,0]=2 2188 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,1,0,0,0,0|1,0,0]=2 2189 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [0,1,0,0,0,0|1,0,0]=2 2190 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [0,1,0,0,0,0|1,0,0]=2 2191 B9R0.47 CC(C)C(=O)NNCCO 22a_100000210001_100000210198 [0,1,0,0,0,0|2,0,0]=3 2192 B9R0.47 CC(C)C(=O)OCSCF 62a_100000139345_100015361967 [0,1,0,0,0,0|2,0,0]=3 2193 B9R0.47 CC(C)C(=O)OCSCF 62a_100015361967_100000139345 [0,1,0,0,0,0|2,0,0]=3 2194 B9R0.47 CC(C)C(C)NCCCF 2230a_100000211541_100011934791 [0,1,0,0,0,0|2,0,1]=4 2195 B9R0.47 CC(C)C(C)NCCCO 2230a_100000211541_100000230001 [0,1,0,0,0,0|2,0,1]=4 2196 B9R0.47 CC(C)C(C)OCCCF 7a_100000748068_100011934791 [0,1,0,0,0,0|2,0,1]=4 2197 B9R0.47 CC(C)C(C)OCCCO 7a_100000748068_100011215043 [0,1,0,0,0,0|2,0,1]=4 2198 B9R0.47 CC(C)C(N)CCOCF 34a_100161115045_100015361967 [0,1,0,0,0,0|2,0,1]=4 2199 B9R0.47 CC(C)C(O)CNCCF 2230a_100000759067_100011217306 [0,1,0,0,0,0|1,0,2]=4 2200 B9R0.47 CC(C)C(O)CNCCF 34a_100000759067_100011217306 [0,1,0,0,0,0|1,0,2]=4 2201 B9R0.47 CC(C)C(O)CNCCO 2230a_100000759067_100000211926 [0,1,0,0,0,0|1,0,2]=4 2202 B9R0.47 CC(C)C(O)CNCCO 34a_100000759067_100000211926 [0,1,0,0,0,0|1,0,2]=4 2203 B9R0.47 CC(C)N(C)CCCC#N 269982a_200000211004_100000687738 [0,1,0,0,0,0|2,0,1]=4 2204 B9R0.47 CC(C)N(C)CCCC=O 269982a_200000211004_200011292268 [0,1,0,0,0,0|2,0,1]=4 2205 B9R0.47 CC(C)N(C)CCCCF 269982a_200000211004_100000729493 [0,1,0,0,0,0|2,0,0]=3 2206 B9R0.47 CC(C)N(C)CCCCO 2230a_100000717598_100000210206 [0,1,0,0,0,0|2,0,0]=3 2207 B9R0.47 CC(C)N(C)CCCCO 2230a_100011521146_200000210301 [0,1,0,0,0,0|2,0,0]=3 2208 B9R0.47 CC(C)N(C)CCCCO 269982a_100000717598_100000210206 [0,1,0,0,0,0|2,0,0]=3 2209 B9R0.47 CC(C)N(C)CCCCO 269982a_100011521146_200000210301 [0,1,0,0,0,0|2,0,0]=3 2210 B9R0.47 CC(C)N(C)CCCCO 269982a_200000211004_100000210776 [0,1,0,0,0,0|2,0,0]=3 2211 B9R0.47 CC(C)N([13CH3])CCCCO 2230a_100011521146_200025704644 [0,1,0,0,0,0|2,0,0]=3 2212 B9R0.47 CC(C)N([13CH3])CCCCO 269982a_100011521146_200025704644 [0,1,0,0,0,0|2,0,0]=3 2213 B9R0.47 CC(C)[C@@H](N)COCCF 34a_100011830312_100011217306 [0,1,0,0,0,0|2,0,1]=4 2214 B9R0.47 CC(C)[C@@H](N)COCCO 34a_100011830312_100000211926 [0,1,0,0,0,0|2,0,1]=4 2215 B9R0.47 CC(F)C(=O)CC#CCO 1458a_100000062450_200000047223 [0,1,0,0,0,0|1,0,2]=4 2216 B9R0.47 CC(F)C(=O)CCCC#N 1458a_100000062450_100000211468 [0,1,0,0,0,0|1,0,1]=3 2217 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,1,0,0,0,0|1,0,0]=2 2218 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,1,0,0,0,0|1,0,0]=2 2219 B9R0.47 CC(F)C(=O)NCCC#N 11a_100000720768_100000062450 [0,1,0,0,0,0|2,0,1]=4 2220 B9R0.47 CC(F)C(=O)NCCC#N 1626a_100000720768_100000062450 [0,1,0,0,0,0|2,0,1]=4 2221 B9R0.47 CC(F)C(=O)NCCC#N 240690a_100000720768_100000062450 [0,1,0,0,0,0|2,0,1]=4 2222 B9R0.47 CC(F)C(=O)NCCC#N 527a_100000720768_100000062450 [0,1,0,0,0,0|2,0,1]=4 2223 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [0,1,0,0,0,0|2,0,0]=3 2224 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [0,1,0,0,0,0|2,0,0]=3 2225 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [0,1,0,0,0,0|2,0,0]=3 2226 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [0,1,0,0,0,0|2,0,0]=3 2227 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,1,0,0,0,0|2,0,0]=3 2228 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,1,0,0,0,0|2,0,0]=3 2229 B9R0.47 CC(F)C(=O)NNCCO 22a_100000210001_100000062450 [0,1,0,0,0,0|3,0,0]=4 2230 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,1,0,0,0,0|0,0,1]=2 2231 B9R0.47 CC/C=C/CC(=O)N(C)C 11a_100102631434_100016274230 [0,1,0,0,0,0|1,0,1]=3 2232 B9R0.47 CC/C=C/CC(=O)N(C)C 1626a_100102631434_100016274230 [0,1,0,0,0,0|1,0,1]=3 2233 B9R0.47 CC/C=C/CC(=O)N(C)C 240690a_100102631434_100016274230 [0,1,0,0,0,0|1,0,1]=3 2234 B9R0.47 CC/C=C/CC(=O)N(C)C 527a_100102631434_100016274230 [0,1,0,0,0,0|1,0,1]=3 2235 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,1,0,0,0,0|0,0,1]=2 2236 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [0,1,0,0,0,0|1,0,1]=3 2237 B9R0.47 CC/C=C\CC(=O)C(O)O 1458a_100000233687_100103147603 [0,1,0,0,0,0|2,0,1]=4 2238 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,1,0,0,0,0|1,0,1]=3 2239 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,1,0,0,0,0|1,0,1]=3 2240 B9R0.47 CC/C=C\CN(C)C(C)C 269982a_200000211004_100103147603 [0,1,0,0,0,0|2,0,1]=4 2241 B9R0.47 CCC#CCC(=O)C(C)C 1458a_100000210198_100009813939 [0,1,0,0,0,0|0,0,1]=2 2242 B9R0.47 CCC#CCC(=O)C(C)F 1458a_100000062450_100009813939 [0,1,0,0,0,0|1,0,1]=3 2243 B9R0.47 CCC#CCC(=O)C(O)O 1458a_100000233687_100009813939 [0,1,0,0,0,0|2,0,1]=4 2244 B9R0.47 CCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009813939 [0,1,0,0,0,0|1,0,1]=3 2245 B9R0.47 CCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009813939 [0,1,0,0,0,0|1,0,1]=3 2246 B9R0.47 CCC=NNC(=O)C(C)C 4a_100000184118_100000210100 [0,1,0,0,0,0|1,0,1]=3 2247 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [0,1,0,0,0,0|0,0,1]=2 2248 B9R0.47 CCCC#CC(=O)N(C)C 240690a_100102631434_200011218047 [0,1,0,0,0,0|1,0,1]=3 2249 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,1,0,0,0,0|0,0,1]=2 2250 B9R0.47 CCCC=CC(=O)N(C)C 11a_100102631434_100000212230 [0,1,0,0,0,0|1,0,1]=3 2251 B9R0.47 CCCC=CC(=O)N(C)C 1626a_100102631434_100000212230 [0,1,0,0,0,0|1,0,1]=3 2252 B9R0.47 CCCC=CC(=O)N(C)C 240690a_100102631434_100000212230 [0,1,0,0,0,0|1,0,1]=3 2253 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,1,0,0,0,0|0,0,0]=1 2254 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,1,0,0,0,0|0,0,0]=1 2255 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,1,0,0,0,0|1,0,0]=2 2256 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,1,0,0,0,0|2,0,0]=3 2257 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,1,0,0,0,0|1,0,0]=2 2258 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,1,0,0,0,0|1,0,0]=2 2259 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,1,0,0,0,0|1,0,0]=2 2260 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,1,0,0,0,0|1,0,0]=2 2261 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,0,0,0,0|1,0,0]=2 2262 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,0,0,0,0|1,0,0]=2 2263 B9R0.47 CCCCCC(C)N(C)C 2230a_100102631434_200011218191 [0,1,0,0,0,0|2,0,1]=4 2264 B9R0.47 CCCCCC(C)N(C)C 269982a_100102631434_200011218191 [0,1,0,0,0,0|2,0,1]=4 2265 B9R0.47 CCCCCC(C)N(C)C 270004a_100102631434_100000211708 [0,1,0,0,0,0|2,0,1]=4 2266 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223495_100000210206 [0,1,0,0,0,0|2,0,0]=3 2267 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223497_200000210301 [0,1,0,0,0,0|2,0,0]=3 2268 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223495_100000210206 [0,1,0,0,0,0|2,0,0]=3 2269 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223497_200000210301 [0,1,0,0,0,0|2,0,0]=3 2270 B9R0.47 CCCCCN(C)C(C)C 269982a_200000211004_100000210215 [0,1,0,0,0,0|2,0,0]=3 2271 B9R0.47 CCCCCN([13CH3])C(C)C 2230a_100000223497_200025704644 [0,1,0,0,0,0|2,0,0]=3 2272 B9R0.47 CCCCCN([13CH3])C(C)C 269982a_100000223497_200025704644 [0,1,0,0,0,0|2,0,0]=3 2273 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,1,0,0,0,0|2,0,1]=4 2274 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,1,0,0,0,0|0,0,0]=1 2275 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,1,0,0,0,0|0,0,0]=1 2276 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,1,0,0,0,0|0,0,0]=1 2277 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,1,0,0,0,0|0,0,0]=1 2278 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,1,0,0,0,0|1,0,0]=2 2279 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,1,0,0,0,0|1,0,0]=2 2280 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,1,0,0,0,0|1,0,0]=2 2281 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,1,0,0,0,0|1,0,0]=2 2282 B9R0.47 CCCCNC(=O)C(F)F 11a_100000102301_100000210393 [0,1,0,0,0,0|2,0,0]=3 2283 B9R0.47 CCCCNC(=O)C(F)F 1626a_100000102301_100000210393 [0,1,0,0,0,0|2,0,0]=3 2284 B9R0.47 CCCCNC(=O)C(F)F 240690a_100000102301_100000210393 [0,1,0,0,0,0|2,0,0]=3 2285 B9R0.47 CCCCNC(=O)C(F)F 527a_100000102301_100000210393 [0,1,0,0,0,0|2,0,0]=3 2286 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,1,0,0,0,0|2,0,0]=3 2287 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,1,0,0,0,0|1,0,0]=2 2288 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,1,0,0,0,0|1,0,0]=2 2289 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,1,0,0,0,0|1,0,0]=2 2290 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,1,0,0,0,0|1,0,0]=2 2291 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [0,1,0,0,0,0|1,0,1]=3 2292 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [0,1,0,0,0,0|1,0,1]=3 2293 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,1,0,0,0,0|1,0,0]=2 2294 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [0,1,0,0,0,0|0,0,2]=3 2295 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [0,1,0,0,0,0|0,0,2]=3 2296 B9R0.47 CCCNN=C(C)C(C)C 4a_100000740057_100000211110 [0,1,0,0,0,0|2,0,0]=3 2297 B9R0.47 CCCNN=C(C)C(C)O 4a_100000740057_100000212229 [0,1,0,0,0,0|3,0,0]=4 2298 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [0,1,0,0,0,0|1,0,0]=2 2299 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [0,1,0,0,0,0|2,0,0]=3 2300 B9R0.47 CCCNNC(=O)C(F)F 22a_100000740057_100000210393 [0,1,0,0,0,0|3,0,0]=4 2301 B9R0.47 CCCNNC(=O)C(O)O 22a_100000740057_100000233687 [0,1,0,0,0,0|3,0,0]=4 2302 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,1,0,0,0,0|2,0,0]=3 2303 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,1,0,0,0,0|2,0,0]=3 2304 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,1,0,0,0,0|1,0,1]=3 2305 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,1,0,0,0,0|0,0,0]=1 2306 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,1,0,0,0,0|0,0,0]=1 2307 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,1,0,0,0,0|1,0,0]=2 2308 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,1,0,0,0,0|1,0,0]=2 2309 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,1,0,0,0,0|1,0,0]=2 2310 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,1,0,0,0,0|1,0,0]=2 2311 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,1,0,0,0,0|1,0,0]=2 2312 B9R0.47 CCCOC[C@H](N)C(C)C 34a_100011830312_100000210303 [0,1,0,0,0,0|1,0,1]=3 2313 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,1,0,0,0,0|1,0,1]=3 2314 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,1,0,0,0,0|1,0,1]=3 2315 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,1,0,0,0,0|0,0,0]=1 2316 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,1,0,0,0,0|0,0,0]=1 2317 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,1,0,0,0,0|0,0,0]=1 2318 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [0,1,0,0,0,0|1,0,0]=2 2319 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [0,1,0,0,0,0|1,0,0]=2 2320 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [0,1,0,0,0,0|1,0,0]=2 2321 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [0,1,0,0,0,0|1,0,0]=2 2322 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [0,1,0,0,0,0|1,0,0]=2 2323 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [0,1,0,0,0,0|1,0,0]=2 2324 B9R0.47 CCCSCC(C)N(C)C 270004a_100102631434_100011343953 [0,1,0,0,0,0|2,0,1]=4 2325 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [0,1,0,0,0,0|1,0,0]=2 2326 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [0,1,0,0,0,0|1,0,0]=2 2327 B9R0.47 CCOC=CC(=O)C(C)C 1458a_100016266692_100000210206 [0,1,0,0,0,0|0,0,2]=3 2328 B9R0.47 CCOC=CC(=O)N(C)C 11a_100102631434_100016266692 [0,1,0,0,0,0|1,0,2]=4 2329 B9R0.47 CCOC=CC(=O)N(C)C 1626a_100102631434_100016266692 [0,1,0,0,0,0|1,0,2]=4 2330 B9R0.47 CCOC=CC(=O)N(C)C 240690a_100102631434_100016266692 [0,1,0,0,0,0|1,0,2]=4 2331 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,1,0,0,0,0|0,0,0]=1 2332 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,1,0,0,0,0|0,0,0]=1 2333 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,1,0,0,0,0|1,0,0]=2 2334 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,1,0,0,0,0|2,0,0]=3 2335 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,1,0,0,0,0|1,0,0]=2 2336 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,1,0,0,0,0|1,0,0]=2 2337 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,1,0,0,0,0|1,0,0]=2 2338 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,1,0,0,0,0|1,0,0]=2 2339 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,1,0,0,0,0|1,0,0]=2 2340 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,1,0,0,0,0|1,0,0]=2 2341 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,1,0,0,0,0|1,0,0]=2 2342 B9R0.47 CCOCCC(C)N(C)C 270004a_100102631434_200011216536 [0,1,0,0,0,0|2,0,1]=4 2343 B9R0.47 CCOCCC(N)C(C)C 34a_100161115045_100000210202 [0,1,0,0,0,0|1,0,1]=3 2344 B9R0.47 CCOCCN(C)C(C)C 269982a_200000211004_100011215890 [0,1,0,0,0,0|2,0,0]=3 2345 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,1,0,0,0,0|0,0,0]=1 2346 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,1,0,0,0,0|0,0,0]=1 2347 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,1,0,0,0,0|1,0,0]=2 2348 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,1,0,0,0,0|2,0,0]=3 2349 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,1,0,0,0,0|1,0,0]=2 2350 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,1,0,0,0,0|1,0,0]=2 2351 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,1,0,0,0,0|1,0,0]=2 2352 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,1,0,0,0,0|1,0,0]=2 2353 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,1,0,0,0,0|1,0,0]=2 2354 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,1,0,0,0,0|1,0,0]=2 2355 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,1,0,0,0,0|1,0,0]=2 2356 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,1,0,0,0,0|1,0,0]=2 2357 B9R0.47 CCSCCN(C)C(C)C 269982a_200000211004_100000757381 [0,1,0,0,0,0|2,0,0]=3 2358 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,1,0,0,0,0|1,0,0]=2 2359 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,1,0,0,0,0|1,0,0]=2 2360 B9R0.47 CN(C)C(=O)CCCC#N 11a_100102631434_100000075515 [0,1,0,0,0,0|1,0,1]=3 2361 B9R0.47 CN(C)C(=O)CCCC#N 1626a_100102631434_100000075515 [0,1,0,0,0,0|1,0,1]=3 2362 B9R0.47 CN(C)C(=O)CCCC#N 240690a_100102631434_100000075515 [0,1,0,0,0,0|1,0,1]=3 2363 B9R0.47 CN(C)C(=O)CCCC#N 527a_100102631434_100000075515 [0,1,0,0,0,0|1,0,1]=3 2364 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,1,0,0,0,0|1,0,0]=2 2365 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [0,1,0,0,0,0|1,0,0]=2 2366 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,1,0,0,0,0|1,0,0]=2 2367 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,1,0,0,0,0|1,0,0]=2 2368 B9R0.47 CN(C)C(=O)CCN=[N+]=[N-] 11a_100102631434_100000688302 [0,1,0,0,0,0|3,0,0]=4 2369 B9R0.47 CN(C)C(=O)CCN=[N+]=[N-] 240690a_100102631434_100000688302 [0,1,0,0,0,0|3,0,0]=4 2370 B9R0.47 CN(C)C(=O)CCOCF 34a_200000747469_100015361967 [0,1,0,0,0,0|2,0,0]=3 2371 B9R0.47 CN(C)C(=O)CCSCF 62a_100000737620_100015361967 [0,1,0,0,0,0|2,0,0]=3 2372 B9R0.47 CN(C)C(=O)CCSCF 62a_100015361967_100000737620 [0,1,0,0,0,0|2,0,0]=3 2373 B9R0.47 CN(C)C(=O)CNCC#N 2230a_100015183351_100011215382 [0,1,0,0,0,0|2,0,1]=4 2374 B9R0.47 CN(C)C(=O)CNCC=O 2230a_100015183351_200015260668 [0,1,0,0,0,0|2,0,1]=4 2375 B9R0.47 CN(C)C(=O)CNCCF 2230a_100015183351_100011217306 [0,1,0,0,0,0|2,0,0]=3 2376 B9R0.47 CN(C)C(=O)CNCCF 34a_100000724931_100000692301 [0,1,0,0,0,0|2,0,0]=3 2377 B9R0.47 CN(C)C(=O)CNCCO 2230a_100015183351_100000211926 [0,1,0,0,0,0|2,0,0]=3 2378 B9R0.47 CN(C)C(=O)CNCCO 2230a_100016997473_100000185267 [0,1,0,0,0,0|2,0,0]=3 2379 B9R0.47 CN(C)C(=O)CNCCO 34a_100016990907_100000692301 [0,1,0,0,0,0|2,0,0]=3 2380 B9R0.47 CN(C)C(=O)COCCBr 34a_100000211926_100000692301 [0,1,0,0,0,0|2,0,0]=3 2381 B9R0.47 CN(C)C(=O)COCCN 34a_100000210304_100000692301 [0,1,0,0,0,0|2,0,0]=3 2382 B9R0.47 CN(C)C(=O)COCCO 1626a_100102631434_100000708028 [0,1,0,0,0,0|2,0,0]=3 2383 B9R0.47 CN(C)C(=O)COCCO 240690a_100102631434_100000708028 [0,1,0,0,0,0|2,0,0]=3 2384 B9R0.47 CN(C)C(=O)CSCC#N 11a_100102631434_100000150266 [0,1,0,0,0,0|2,0,1]=4 2385 B9R0.47 CN(C)C(=O)CSCC#N 1626a_100102631434_100000150266 [0,1,0,0,0,0|2,0,1]=4 2386 B9R0.47 CN(C)C(=O)CSCC#N 240690a_100102631434_100000150266 [0,1,0,0,0,0|2,0,1]=4 2387 B9R0.47 CN(C)C(=O)CSCC#N 62a_100000692301_100011215382 [0,1,0,0,0,0|2,0,1]=4 2388 B9R0.47 CN(C)C(=O)CSCC#N 62a_100011215382_100000692301 [0,1,0,0,0,0|2,0,1]=4 2389 B9R0.47 CN(C)C(=O)CSCC=O 62a_100000692301_200015260668 [0,1,0,0,0,0|2,0,1]=4 2390 B9R0.47 CN(C)C(=O)CSCC=O 62a_200015260668_100000692301 [0,1,0,0,0,0|2,0,1]=4 2391 B9R0.47 CN(C)C(=O)CSCCF 62a_100000692301_100011217306 [0,1,0,0,0,0|2,0,0]=3 2392 B9R0.47 CN(C)C(=O)CSCCF 62a_100011217306_100000692301 [0,1,0,0,0,0|2,0,0]=3 2393 B9R0.47 CN(C)C(=O)CSCCO 62a_100000211926_100000692301 [0,1,0,0,0,0|2,0,0]=3 2394 B9R0.47 CN(C)C(=O)CSCCO 62a_100000692301_100000211926 [0,1,0,0,0,0|2,0,0]=3 2395 B9R0.47 CN(C)C(=O)NCCC#N 2708a_100000720768_100102631434 [0,1,0,0,0,0|2,0,1]=4 2396 B9R0.47 CN(C)C(=O)NCCCF 2708a_100015189416_100102631434 [0,1,0,0,0,0|2,0,0]=3 2397 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [0,1,0,0,0,0|1,0,0]=2 2398 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [0,1,0,0,0,0|1,0,0]=2 2399 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [0,1,0,0,0,0|1,0,0]=2 2400 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [0,1,0,0,0,0|1,0,0]=2 2401 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [0,1,0,0,0,0|1,0,0]=2 2402 B9R0.47 COCC=CC(=O)C(C)C 1458a_100016285016_100000210206 [0,1,0,0,0,0|0,0,2]=3 2403 B9R0.47 COCC=CC(=O)N(C)C 11a_100102631434_100016285016 [0,1,0,0,0,0|1,0,2]=4 2404 B9R0.47 COCC=CC(=O)N(C)C 1626a_100102631434_100016285016 [0,1,0,0,0,0|1,0,2]=4 2405 B9R0.47 COCC=CC(=O)N(C)C 240690a_100102631434_100016285016 [0,1,0,0,0,0|1,0,2]=4 2406 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,1,0,0,0,0|0,0,0]=1 2407 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,1,0,0,0,0|0,0,0]=1 2408 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,1,0,0,0,0|1,0,0]=2 2409 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,1,0,0,0,0|2,0,0]=3 2410 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [0,1,0,0,0,0|1,0,0]=2 2411 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [0,1,0,0,0,0|1,0,0]=2 2412 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [0,1,0,0,0,0|1,0,0]=2 2413 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [0,1,0,0,0,0|1,0,0]=2 2414 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,1,0,0,0,0|1,0,0]=2 2415 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,1,0,0,0,0|1,0,0]=2 2416 B9R0.47 COCCCN(C)C(C)C 2230a_100000224831_100000210206 [0,1,0,0,0,0|2,0,0]=3 2417 B9R0.47 COCCCN(C)C(C)C 269982a_100000224831_100000210206 [0,1,0,0,0,0|2,0,0]=3 2418 B9R0.47 COCCCN(C)C(C)C 269982a_200000211004_100000740836 [0,1,0,0,0,0|2,0,0]=3 2419 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,1,0,0,0,0|1,0,0]=2 2420 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,1,0,0,0,0|1,0,0]=2 2421 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,1,0,0,0,0|1,0,0]=2 2422 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,1,0,0,0,0|2,0,0]=3 2423 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,1,0,0,0,0|2,0,0]=3 2424 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,1,0,0,0,0|2,0,0]=3 2425 B9R0.47 COCCNC(=O)C(F)F 1626a_100000209980_100000210393 [0,1,0,0,0,0|3,0,0]=4 2426 B9R0.47 COCCNC(=O)C(F)F 240690a_100000209980_100000210393 [0,1,0,0,0,0|3,0,0]=4 2427 B9R0.47 COCCNC(=O)C(F)F 527a_100000209980_100000210393 [0,1,0,0,0,0|3,0,0]=4 2428 B9R0.47 COCCNC(=O)C(O)O 240690a_100000209980_100000233687 [0,1,0,0,0,0|3,0,0]=4 2429 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,1,0,0,0,0|2,0,0]=3 2430 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,1,0,0,0,0|2,0,0]=3 2431 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,1,0,0,0,0|2,0,0]=3 2432 B9R0.47 COCCNC(C)C(C)C 2230a_100000211541_100011201679 [0,1,0,0,0,0|2,0,1]=4 2433 B9R0.47 COCCOC(C)C(C)C 7a_100000748068_100000233755 [0,1,0,0,0,0|2,0,1]=4 2434 B9R0.47 COCNCC(=O)N(C)C 2230a_100015183351_100000766300 [0,1,0,0,0,0|2,0,0]=3 2435 B9R0.47 COCNCC(O)C(C)C 2230a_100000759067_100000766300 [0,1,0,0,0,0|1,0,2]=4 2436 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,1,0,0,0,0|2,0,1]=4 2437 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,1,0,0,0,0|2,0,1]=4 2438 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [0,1,0,0,0,0|1,0,0]=2 2439 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [0,1,0,0,0,0|1,0,0]=2 2440 B9R0.47 COCSCC(=O)N(C)C 62a_100000692301_100000766300 [0,1,0,0,0,0|2,0,0]=3 2441 B9R0.47 COCSCC(=O)N(C)C 62a_100000766300_100000692301 [0,1,0,0,0,0|2,0,0]=3 2442 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,1,0,0,0,0|0,0,0]=1 2443 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,1,0,0,0,0|1,0,0]=2 2444 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,1,0,0,0,0|1,0,0]=2 2445 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,1,0,0,0,0|1,0,0]=2 2446 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,1,0,0,0,0|1,0,0]=2 2447 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,1,0,0,0,0|1,0,0]=2 2448 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,1,0,0,0,0|1,0,0]=2 2449 B9R0.47 CSCCCC(C)N(C)C 270004a_100102631434_100011399439 [0,1,0,0,0,0|2,0,1]=4 2450 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,1,0,0,0,0|1,0,0]=2 2451 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,1,0,0,0,0|1,0,0]=2 2452 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,1,0,0,0,0|1,0,0]=2 2453 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,1,0,0,0,0|1,0,0]=2 2454 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,1,0,0,0,0|2,0,0]=3 2455 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,1,0,0,0,0|2,0,0]=3 2456 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,1,0,0,0,0|2,0,0]=3 2457 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,1,0,0,0,0|2,0,0]=3 2458 B9R0.47 CSCCNC(=O)C(F)F 11a_100020590264_100000210393 [0,1,0,0,0,0|3,0,0]=4 2459 B9R0.47 CSCCNC(=O)C(F)F 1626a_100020590264_100000210393 [0,1,0,0,0,0|3,0,0]=4 2460 B9R0.47 CSCCNC(=O)C(F)F 240690a_100020590264_100000210393 [0,1,0,0,0,0|3,0,0]=4 2461 B9R0.47 CSCCNC(=O)C(F)F 527a_100020590264_100000210393 [0,1,0,0,0,0|3,0,0]=4 2462 B9R0.47 CSCCNC(=O)C(O)O 240690a_100020590264_100000233687 [0,1,0,0,0,0|3,0,0]=4 2463 B9R0.47 CSCCNC(=O)N(C)C 2708a_100020590264_100102631434 [0,1,0,0,0,0|2,0,0]=3 2464 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,1,0,0,0,0|2,0,0]=3 2465 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,1,0,0,0,0|2,0,0]=3 2466 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,1,0,0,0,0|2,0,0]=3 2467 B9R0.47 CSCCNC(C)C(C)C 2230a_100000211541_100000751147 [0,1,0,0,0,0|2,0,1]=4 2468 B9R0.47 CSCCOC(C)C(C)C 7a_100000748068_100000212216 [0,1,0,0,0,0|2,0,1]=4 2469 B9R0.47 CSCNCC(=O)N(C)C 2230a_100015183351_100011218213 [0,1,0,0,0,0|2,0,0]=3 2470 B9R0.47 CSCNCC(O)C(C)C 2230a_100000759067_100011218213 [0,1,0,0,0,0|1,0,2]=4 2471 B9R0.47 CSCNCC(O)C(C)C 34a_100000759067_100011218213 [0,1,0,0,0,0|1,0,2]=4 2472 B9R0.47 CSCOC[C@H](N)C(C)C 34a_100011830312_100011218213 [0,1,0,0,0,0|2,0,1]=4 2473 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,1,0,0,0,0|2,0,1]=4 2474 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,1,0,0,0,0|2,0,1]=4 2475 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [0,1,0,0,0,0|1,0,0]=2 2476 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [0,1,0,0,0,0|1,0,0]=2 2477 B9R0.47 CSCSCC(=O)N(C)C 62a_100000692301_100011218213 [0,1,0,0,0,0|2,0,0]=3 2478 B9R0.47 CSCSCC(=O)N(C)C 62a_100011218213_100000692301 [0,1,0,0,0,0|2,0,0]=3 2479 B9R0.47 C[C@@H](O)C(=O)CC#CCO 1458a_100000717761_200000047223 [0,1,0,0,0,0|1,0,2]=4 2480 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [0,1,0,0,0,0|1,0,1]=3 2481 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,1,0,0,0,0|1,0,0]=2 2482 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,1,0,0,0,0|1,0,0]=2 2483 B9R0.47 C[C@@H](O)C(=O)NCCC#N 240690a_100000720768_100000717761 [0,1,0,0,0,0|2,0,1]=4 2484 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,1,0,0,0,0|2,0,0]=3 2485 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,1,0,0,0,0|2,0,0]=3 2486 B9R0.47 C[C@@H](O)C(=O)NNCCO 22a_100000210001_100000717761 [0,1,0,0,0,0|3,0,0]=4 2487 B9R0.47 C[C@H](O)C(=O)CC#CCO 1458a_217856618621_200000047223 [0,1,0,0,0,0|1,0,2]=4 2488 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [0,1,0,0,0,0|1,0,1]=3 2489 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,1,0,0,0,0|1,0,0]=2 2490 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,1,0,0,0,0|1,0,0]=2 2491 B9R0.47 C[C@H](O)C(=O)NCCC#N 1626a_100000720768_217856618621 [0,1,0,0,0,0|2,0,1]=4 2492 B9R0.47 C[C@H](O)C(=O)NCCC#N 240690a_100000720768_217856618621 [0,1,0,0,0,0|2,0,1]=4 2493 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,1,0,0,0,0|2,0,0]=3 2494 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,1,0,0,0,0|2,0,0]=3 2495 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,1,0,0,0,0|2,0,0]=3 2496 B9R0.47 C[C@H](O)C(=O)NNCCO 22a_100000210001_217856618621 [0,1,0,0,0,0|3,0,0]=4 2497 B9R0.47 N#CCCCC(=O)C(O)O 1458a_100000233687_100000211468 [0,1,0,0,0,0|2,0,1]=4 2498 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [0,1,0,0,0,0|2,0,0]=3 2499 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,1,0,0,0,0|2,0,0]=3 2500 B9R0.47 O=C(NCCCF)C(F)F 11a_100015189416_100000210393 [0,1,0,0,0,0|3,0,0]=4 2501 B9R0.47 O=C(NCCCF)C(F)F 1626a_100015189416_100000210393 [0,1,0,0,0,0|3,0,0]=4 2502 B9R0.47 O=C(NCCCF)C(F)F 240690a_100015189416_100000210393 [0,1,0,0,0,0|3,0,0]=4 2503 B9R0.47 O=C(NCCCF)C(F)F 527a_100015189416_100000210393 [0,1,0,0,0,0|3,0,0]=4 2504 B9R0.47 O=C(NCCCF)C(O)O 240690a_100015189416_100000233687 [0,1,0,0,0,0|3,0,0]=4 2505 B9R0.47 O=C(NCCCO)C(F)F 240690a_100000182051_100000210393 [0,1,0,0,0,0|3,0,0]=4 2506 B9R0.47 O=C(NCCCO)C(F)F 527a_100000182051_100000210393 [0,1,0,0,0,0|3,0,0]=4 2507 B9R0.47 O=C(NCCCO)C(O)O 240690a_100000182051_100000233687 [0,1,0,0,0,0|3,0,0]=4 2508 B9R0.51 CC(C)S(=O)(=O)CCN[13CH3] 2230a_100000732177_200025704644 [0,1,0,0,0,0|2,0,0]=3 2509 B9R0.51 CC(C)S(=O)(=O)CCN[13CH3] 34a_100000732177_200025704644 [0,1,0,0,0,0|2,0,0]=3 2510 B9R0.51 CC(C)S(=O)(=O)NCCF 270084a_100000724931_100000742656 [0,1,0,0,0,0|3,0,0]=4 2511 B9R0.51 CC(C)S(=O)(=O)NCCF 274078a_100000724931_100000742656 [0,1,0,0,0,0|3,0,0]=4 2512 B9R0.51 CC(C)S(=O)(=O)NCCO 270084a_100000210304_100000742656 [0,1,0,0,0,0|3,0,0]=4 2513 B9R0.51 CC(C)S(=O)(=O)NCCO 274078a_100000210304_100000742656 [0,1,0,0,0,0|3,0,0]=4 2514 B9R0.51 CCCCS(=O)(=O)N(C)C 270084a_100102631434_100000212082 [0,1,0,0,0,0|2,0,0]=3 2515 B9R0.51 CCCCS(=O)(=O)N(C)C 274078a_100102631434_100000212082 [0,1,0,0,0,0|2,0,0]=3 2516 B9R0.51 CCCCS(=O)(=O)N(C)C 40a_100102631434_100000054263 [0,1,0,0,0,0|2,0,0]=3 2517 B9R0.51 CCCNC(C)(C)C(C)C 2230a_200160471154_100000210303 [0,1,0,0,0,0|2,0,1]=4 2518 B9R0.51 CCCNS(=O)(=O)C(C)C 270084a_100020643023_100000742656 [0,1,0,0,0,0|2,0,0]=3 2519 B9R0.51 CCCNS(=O)(=O)C(C)C 274078a_100020643023_100000742656 [0,1,0,0,0,0|2,0,0]=3 2520 B9R0.51 CCCOC(C)(C)C(C)C 7a_100011215261_100000210303 [0,1,0,0,0,0|2,0,1]=4 2521 B9R0.51 CN(C)S(=O)(=O)CCCCl 270084a_100102631434_100000211827 [0,1,0,0,0,0|3,0,0]=4 2522 B9R0.51 CN(C)S(=O)(=O)CCCF 270084a_100102631434_200000759752 [0,1,0,0,0,0|3,0,0]=4 2523 B9R0.51 CN(C)S(=O)(=O)CCCF 274078a_100102631434_200000759752 [0,1,0,0,0,0|3,0,0]=4 2524 B9R0.51 CN(C)S(=O)(=O)CCN[13CH3] 2230a_100000733455_200025704644 [0,1,0,0,0,0|3,0,0]=4 2525 B9R0.51 CN(C)S(=O)(=O)CCN[13CH3] 34a_100000733455_200025704644 [0,1,0,0,0,0|3,0,0]=4 2526 B9R0.51 CNCCS(=O)(=O)C(C)C 2230a_100000732177_200000210301 [0,1,0,0,0,0|2,0,0]=3 2527 B9R0.51 CNCCS(=O)(=O)C(C)C 34a_100000732177_200000210301 [0,1,0,0,0,0|2,0,0]=3 2528 B9R0.51 CNCCS(=O)(=O)N(C)C 2230a_100000733455_200000210301 [0,1,0,0,0,0|3,0,0]=4 2529 B9R0.51 CNCCS(=O)(=O)N(C)C 34a_100000733455_200000210301 [0,1,0,0,0,0|3,0,0]=4 2530 B9R0.51 COCCS(=O)(=O)N(C)C 270084a_100102631434_100000745348 [0,1,0,0,0,0|3,0,0]=4 2531 B9R0.51 COCCS(=O)(=O)N(C)C 274078a_100102631434_100000745348 [0,1,0,0,0,0|3,0,0]=4 2532 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,1,0,0|2,0,1]=4 2533 B9R1.6 CC(C)N1CCCOC1 2230a_100000131196_100000210206 [0,0,0,1,0,0|3,0,0]=4 2534 B9R1.6 CC(C)N1CCCOC1 269982a_100000131196_100000210206 [0,0,0,1,0,0|3,0,0]=4 2535 B9R1.6 CC(C)N1CCCOC1 34a_100000131196_100000210206 [0,0,0,1,0,0|3,0,0]=4 2536 B9R1.6 CC(C)N1CCOCC1 2230a_100015191051_100000210206 [0,0,0,1,0,0|3,0,0]=4 2537 B9R1.6 CC(C)N1CCOCC1 269982a_100015191051_100000210206 [0,0,0,1,0,0|3,0,0]=4 2538 B9R1.6 CC(C)N1CCOCC1 34a_100015191051_100000210206 [0,0,0,1,0,0|3,0,0]=4 2539 B9R1.6 CC(C)N1CCSCC1 2230a_100000737611_100000210206 [0,0,0,1,0,0|3,0,0]=4 2540 B9R1.6 CC(C)N1CCSCC1 269982a_100000737611_100000210206 [0,0,0,1,0,0|3,0,0]=4 2541 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [0,0,0,1,0,0|2,0,1]=4 2542 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [0,0,0,1,0,0|2,0,1]=4 2543 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [0,0,0,1,0,0|2,0,1]=4 2544 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [0,0,0,1,0,0|2,0,1]=4 2545 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [0,0,0,1,0,0|2,0,1]=4 2546 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [0,0,0,1,0,0|2,0,1]=4 2547 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [0,0,0,1,0,0|2,0,1]=4 2548 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [0,0,0,1,0,0|2,0,1]=4 2549 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,1,0,0|2,0,1]=4 2550 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210202 [0,0,0,1,0,0|1,0,2]=4 2551 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000204670 [0,0,0,1,0,0|1,0,2]=4 2552 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [0,0,0,1,0,0|2,0,0]=3 2553 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [0,0,0,1,0,0|2,0,0]=3 2554 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [0,0,0,1,0,0|2,0,0]=3 2555 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [0,0,0,1,0,0|2,0,0]=3 2556 B9R1.35 CC(C)N1CCC(C1)O 2230a_100011215560_100000210206 [0,0,0,1,0,0|3,0,0]=4 2557 B9R1.35 CC(C)N1CCC(C1)O 269982a_100011215560_100000210206 [0,0,0,1,0,0|3,0,0]=4 2558 B9R1.35 CC(C)N1CC[C@@H](C1)F 2230a_100015203821_100000210206 [0,0,0,1,0,0|3,0,0]=4 2559 B9R1.35 CC(C)N1CC[C@@H](C1)F 269982a_100015203821_100000210206 [0,0,0,1,0,0|3,0,0]=4 2560 B9R1.35 CC(C)N1CC[C@@H](C1)F 34a_100015203821_100000210206 [0,0,0,1,0,0|3,0,0]=4 2561 B9R1.35 CC(C)N1CC[C@H](C1)C 2230a_100016987628_100000210206 [0,0,0,1,0,0|2,0,0]=3 2562 B9R1.35 CC(C)N1CC[C@H](C1)C 269982a_100016987628_100000210206 [0,0,0,1,0,0|2,0,0]=3 2563 B9R1.35 CC(C)N1CC[C@H](C1)C 34a_100016987628_100000210206 [0,0,0,1,0,0|2,0,0]=3 2564 B9R1.35 CC1CCC(C1)N(C)C 270004a_100102631434_100011215218 [0,0,0,1,0,0|2,0,1]=4 2565 B9R1.39 CC1CCN1CCCF 269982a_100000755817_100011934791 [0,0,0,1,0,0|3,0,0]=4 2566 B9R1.39 CC1CCN1CCCF 34a_100000755817_100011934791 [0,0,0,1,0,0|3,0,0]=4 2567 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [0,0,0,1,0,0|3,0,0]=4 2568 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [0,0,0,1,0,0|3,0,0]=4 2569 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [0,0,0,1,0,0|2,0,0]=3 2570 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [0,0,0,1,0,0|2,0,0]=3 2571 B9R1.39 CCOCN1CCC1C 269982a_100000755817_100000739092 [0,0,0,1,0,0|3,0,0]=4 2572 B9R1.39 COCCN1CCC1C 269982a_100000755817_100000233755 [0,0,0,1,0,0|3,0,0]=4 2573 B9R1.39 COCCN1CCC1C 34a_100000755817_100011201679 [0,0,0,1,0,0|3,0,0]=4 2574 B9R1.39 CSCCN1CCC1C 269982a_100000755817_100000212216 [0,0,0,1,0,0|3,0,0]=4 2575 B9R1.39 CSCCN1CCC1C 34a_100000755817_100000212216 [0,0,0,1,0,0|3,0,0]=4 2576 B9R1.40 CC1(COCCN1[13CH3])C 2230a_100000724681_200025704644 [0,0,0,1,0,0|3,0,0]=4 2577 B9R1.40 CC1(COCCN1[13CH3])C 269982a_100000724681_200025704644 [0,0,0,1,0,0|3,0,0]=4 2578 B9R1.40 CC1(COCCN1[13CH3])C 34a_100000724681_200025704644 [0,0,0,1,0,0|3,0,0]=4 2579 B9R1.40 CN1CCOCC1(C)C 2230a_100000724681_200000210301 [0,0,0,1,0,0|3,0,0]=4 2580 B9R1.40 CN1CCOCC1(C)C 269982a_100000724681_200000210301 [0,0,0,1,0,0|3,0,0]=4 2581 B9R1.40 CN1CCOCC1(C)C 34a_100000724681_200000210301 [0,0,0,1,0,0|3,0,0]=4 2582 B9R1.45 CC(C)C(=O)C1CC1C 1458a_100000211227_100000210206 [0,0,0,1,0,0|0,0,0]=1 2583 B9R1.45 CC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210206 [0,0,0,1,0,0|1,0,0]=2 2584 B9R1.45 CC1CC1C(=O)N(C)C 11a_100102631434_100000211227 [0,0,0,1,0,0|1,0,0]=2 2585 B9R1.45 CC1CC1C(=O)N(C)C 1626a_100102631434_100000211227 [0,0,0,1,0,0|1,0,0]=2 2586 B9R1.45 CC1CC1C(=O)N(C)C 527a_100102631434_100000211227 [0,0,0,1,0,0|1,0,0]=2 2587 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F 11a_100102631434_100015396687 [0,0,0,1,0,0|2,0,0]=3 2588 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F 240690a_100102631434_100015396687 [0,0,0,1,0,0|2,0,0]=3 2589 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F 527a_100102631434_100015396687 [0,0,0,1,0,0|2,0,0]=3 2590 B9R1.69 CC1CN(CCC1O)C 2230a_100011998114_200000210301 [0,0,0,1,0,0|1,0,2]=4 2591 B9R1.69 CC1CN(CCC1O)C 269982a_100011998114_200000210301 [0,0,0,1,0,0|1,0,2]=4 2592 B9R1.69 CC1CN(CCC1O)[13CH3] 2230a_100011998114_200025704644 [0,0,0,1,0,0|1,0,2]=4 2593 B9R1.69 CC1CN(CCC1O)[13CH3] 269982a_100011998114_200025704644 [0,0,0,1,0,0|1,0,2]=4 2594 B9R1.69 C[C@H]1CN(CCN1C)C 2230a_100012002466_200000210301 [0,0,0,1,0,0|3,0,0]=4 2595 B9R1.69 C[C@H]1CN(CCN1C)C 2230a_100020603432_200000210301 [0,0,0,1,0,0|3,0,0]=4 2596 B9R1.69 C[C@H]1CN(CCN1C)C 269982a_100012002466_200000210301 [0,0,0,1,0,0|3,0,0]=4 2597 B9R1.69 C[C@H]1CN(CCN1C)C 269982a_100020603432_200000210301 [0,0,0,1,0,0|3,0,0]=4 2598 B9R1.69 C[C@H]1CN(CCN1C)[13CH3] 2230a_100020603432_200025704644 [0,0,0,1,0,0|3,0,0]=4 2599 B9R1.69 C[C@H]1CN(CCN1C)[13CH3] 269982a_100020603432_200025704644 [0,0,0,1,0,0|3,0,0]=4 2600 B9R1.69 C[C@H]1CN(CCN1[13CH3])C 2230a_100012002466_200025704644 [0,0,0,1,0,0|3,0,0]=4 2601 B9R1.69 C[C@H]1CN(CCN1[13CH3])C 269982a_100012002466_200025704644 [0,0,0,1,0,0|3,0,0]=4 2602 B9R1.77 CCOCC1CC1(C)C 34a_100000728257_100000210202 [0,0,0,1,0,0|2,0,1]=4 2603 B9R1.77 CCOCC1CC1(C)C 7a_100000728257_100000210202 [0,0,0,1,0,0|2,0,1]=4 2604 B9R1.77 CCOCC1OC1(C)C 34a_200010283642_100000210202 [0,0,0,1,0,0|1,0,2]=4 2605 B9R1.77 CCOCC1OC1(C)C 7a_200010283642_100000210202 [0,0,0,1,0,0|1,0,2]=4 2606 B9R1.95 CC(C)N1CC(C1)CF 269982a_100010363649_100000210206 [0,0,0,1,0,0|3,0,0]=4 2607 B9R1.95 CC(C)N1CC(C1)CF 34a_100010363649_100000210206 [0,0,0,1,0,0|3,0,0]=4 2608 B9R1.95 CC(C)N1CC(C1)CO 269982a_100016987283_100000210206 [0,0,0,1,0,0|3,0,0]=4 2609 B9R1.95 CC(C)N1CC(C1)CO 34a_100016987283_100000210206 [0,0,0,1,0,0|3,0,0]=4 2610 B9R1.95 CCC1CN(C1)C(C)C 2230a_100015205115_100000210206 [0,0,0,1,0,0|2,0,0]=3 2611 B9R1.95 CCC1CN(C1)C(C)C 269982a_100015205115_100000210206 [0,0,0,1,0,0|2,0,0]=3 2612 B9R1.95 COC1CN(C1)C(C)C 269982a_100000755009_100000210206 [0,0,0,1,0,0|3,0,0]=4 2613 B9R1.95 CSC1CN(C1)C(C)C 269982a_100016990038_100000210206 [0,0,0,1,0,0|3,0,0]=4 2614 B9R1.100 C#CCCC(=O)C1CC1 1458a_100000210395_100000753159 [0,0,0,1,0,0|0,0,2]=3 2615 B9R1.100 C#CCCC(=O)C1CO1 1458a_100000701028_100000753159 [0,0,0,1,0,0|1,0,2]=4 2616 B9R1.100 C#CCNC(=O)C1CC1 11a_100000212058_100000210395 [0,0,0,1,0,0|1,0,2]=4 2617 B9R1.100 C#CCNC(=O)C1CC1 1626a_100000212058_100000210395 [0,0,0,1,0,0|1,0,2]=4 2618 B9R1.100 C#CCNC(=O)C1CC1 240690a_100000212058_100000210395 [0,0,0,1,0,0|1,0,2]=4 2619 B9R1.100 C#CCNC(=O)C1CC1 527a_100000212058_100000210395 [0,0,0,1,0,0|1,0,2]=4 2620 B9R1.100 C/C=C/CC(=O)C1CC1 1458a_100000210395_100102629194 [0,0,0,1,0,0|0,0,2]=3 2621 B9R1.100 C/C=C/CC(=O)C1CO1 1458a_100000701028_100102629194 [0,0,0,1,0,0|1,0,2]=4 2622 B9R1.100 C=CCCC(=O)C1CC1 1458a_100000210395_100000754431 [0,0,0,1,0,0|0,0,2]=3 2623 B9R1.100 C=CCCC(=O)C1CO1 1458a_100000701028_100000754431 [0,0,0,1,0,0|1,0,2]=4 2624 B9R1.100 C=CCNC(=O)C1CC1 1626a_100020586998_100000210395 [0,0,0,1,0,0|1,0,2]=4 2625 B9R1.100 C=CCNC(=O)C1CC1 240690a_100020586998_100000210395 [0,0,0,1,0,0|1,0,2]=4 2626 B9R1.100 C=CCNC(=O)C1CC1 527a_100020586998_100000210395 [0,0,0,1,0,0|1,0,2]=4 2627 B9R1.100 CC#CCC(=O)C1CC1 1458a_100000210395_100000748600 [0,0,0,1,0,0|0,0,2]=3 2628 B9R1.100 CC#CCC(=O)C1CO1 1458a_100000701028_100000748600 [0,0,0,1,0,0|1,0,2]=4 2629 B9R1.100 CC=CCC(=O)C1CC1 1458a_100000210395_100000070051 [0,0,0,1,0,0|0,0,2]=3 2630 B9R1.100 CC=CCC(=O)C1CO1 1458a_100000701028_100000070051 [0,0,0,1,0,0|1,0,2]=4 2631 B9R1.100 CC=NNC(=O)C1CC1 4a_100000183419_200000210099 [0,0,0,1,0,0|2,0,1]=4 2632 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,0,0,1,0,0|0,0,0]=1 2633 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,0,0,1,0,0|1,0,0]=2 2634 B9R1.100 CCCCN(C)C1CC1 2230a_100000226674_100000210211 [0,0,0,1,0,0|2,0,0]=3 2635 B9R1.100 CCCCN(C)C1CC1 269982a_100000207549_100000211595 [0,0,0,1,0,0|2,0,0]=3 2636 B9R1.100 CCCCN(C)C1CC1 269982a_100000226674_100000210211 [0,0,0,1,0,0|2,0,0]=3 2637 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [0,0,0,1,0,0|1,0,0]=2 2638 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [0,0,0,1,0,0|1,0,0]=2 2639 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [0,0,0,1,0,0|1,0,0]=2 2640 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [0,0,0,1,0,0|1,0,0]=2 2641 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [0,0,0,1,0,0|2,0,0]=3 2642 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [0,0,0,1,0,0|2,0,0]=3 2643 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [0,0,0,1,0,0|2,0,0]=3 2644 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [0,0,0,1,0,0|2,0,0]=3 2645 B9R1.100 CCCNC(C)C1CC1 2230a_100000700016_100000210303 [0,0,0,1,0,0|2,0,1]=4 2646 B9R1.100 CCCNC(C)C1CC1 269862a_100020643023_100000210639 [0,0,0,1,0,0|2,0,1]=4 2647 B9R1.100 CCCNC(C)C1CC1 34a_100000700016_100000210303 [0,0,0,1,0,0|2,0,1]=4 2648 B9R1.100 CCCOC(C)C1CC1 34a_100000744524_100000210303 [0,0,0,1,0,0|2,0,1]=4 2649 B9R1.100 CCCOC(C)C1CC1 7a_100000744524_100000210303 [0,0,0,1,0,0|2,0,1]=4 2650 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [0,0,0,1,0,0|1,0,0]=2 2651 B9R1.100 CCNCC(O)C1CC1 2230a_100000751198_100000210202 [0,0,0,1,0,0|1,0,2]=4 2652 B9R1.100 CCNCC(O)C1CC1 34a_100000751198_100000210202 [0,0,0,1,0,0|1,0,2]=4 2653 B9R1.100 CCNN=C(C)C1CC1 4a_100000756455_100000210639 [0,0,0,1,0,0|3,0,0]=4 2654 B9R1.100 CCNNC(=O)C1CC1 22a_100000756455_100000210395 [0,0,0,1,0,0|2,0,0]=3 2655 B9R1.100 CCNNC(=O)C1CO1 22a_100000756455_100000701028 [0,0,0,1,0,0|3,0,0]=4 2656 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [0,0,0,1,0,0|1,0,0]=2 2657 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [0,0,0,1,0,0|1,0,0]=2 2658 B9R1.100 CCOCN(C)C1CC1 269982a_100000226674_100000739092 [0,0,0,1,0,0|3,0,0]=4 2659 B9R1.100 CCOC[C@H](N)C1CC1 34a_100020623730_100000210202 [0,0,0,1,0,0|2,0,1]=4 2660 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [0,0,0,1,0,0|1,0,0]=2 2661 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [0,0,0,1,0,0|1,0,0]=2 2662 B9R1.100 CN(CCCF)C1CC1 2230a_100000226674_100011934791 [0,0,0,1,0,0|3,0,0]=4 2663 B9R1.100 CN(CCCF)C1CC1 269982a_100000226674_100011934791 [0,0,0,1,0,0|3,0,0]=4 2664 B9R1.100 CN(CCCO)C1CC1 2230a_100000226674_100000230001 [0,0,0,1,0,0|3,0,0]=4 2665 B9R1.100 CN(CCCO)C1CC1 269982a_100000213112_100000211595 [0,0,0,1,0,0|3,0,0]=4 2666 B9R1.100 CN(CCCO)C1CC1 269982a_100000226674_100011215043 [0,0,0,1,0,0|3,0,0]=4 2667 B9R1.100 CNCOC(=O)C1CC1 2230a_106832991635_100000140896 [0,0,0,1,0,0|2,0,0]=3 2668 B9R1.100 CNCOC(=O)C1CC1 34a_100102657272_100000140896 [0,0,0,1,0,0|2,0,0]=3 2669 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [0,0,0,1,0,0|1,0,0]=2 2670 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [0,0,0,1,0,0|2,0,0]=3 2671 B9R1.100 COCCN(C)C1CC1 2230a_100000226674_100011201679 [0,0,0,1,0,0|3,0,0]=4 2672 B9R1.100 COCCN(C)C1CC1 269982a_100000226674_100000233755 [0,0,0,1,0,0|3,0,0]=4 2673 B9R1.100 COCCN(C)C1CC1 269982a_100000743101_100000211595 [0,0,0,1,0,0|3,0,0]=4 2674 B9R1.100 COCOC(=O)C1CC1 34a_100138415774_100000140896 [0,0,0,1,0,0|2,0,0]=3 2675 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,0,0,1,0,0|1,0,0]=2 2676 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [0,0,0,1,0,0|2,0,0]=3 2677 B9R1.100 CSCCN(C)C1CC1 2230a_100000226674_100000751147 [0,0,0,1,0,0|3,0,0]=4 2678 B9R1.100 CSCCN(C)C1CC1 269982a_100000226674_100000212216 [0,0,0,1,0,0|3,0,0]=4 2679 B9R1.100 CSCCN(C)C1CC1 269982a_100000686725_100000211595 [0,0,0,1,0,0|3,0,0]=4 2680 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [0,0,0,1,0,0|2,0,0]=3 2681 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [0,0,0,1,0,0|2,0,0]=3 2682 B9R1.100 N#CCCC(=O)C1CC1 1458a_100000210395_100011215226 [0,0,0,1,0,0|1,0,1]=3 2683 B9R1.100 N#CCCC(=O)C1CO1 1458a_100000701028_100011215226 [0,0,0,1,0,0|2,0,1]=4 2684 B9R1.100 N#CCNC(=O)C1CC1 1626a_100000734998_100000210395 [0,0,0,1,0,0|2,0,1]=4 2685 B9R1.100 N#CCNC(=O)C1CC1 527a_100000734998_100000210395 [0,0,0,1,0,0|2,0,1]=4 2686 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [0,0,0,1,0,0|1,0,0]=2 2687 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [0,0,0,1,0,0|2,0,0]=3 2688 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,0,0,1,0,0|1,0,0]=2 2689 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,0,0,1,0,0|2,0,0]=3 2690 B9R1.100 O=C(COCF)C1CC1 34a_100000686663_100015361967 [0,0,0,1,0,0|2,0,0]=3 2691 B9R1.100 O=C(CSCF)C1CC1 62a_100000746382_100015361967 [0,0,0,1,0,0|2,0,0]=3 2692 B9R1.100 O=C(CSCF)C1CC1 62a_100015361967_100000746382 [0,0,0,1,0,0|2,0,0]=3 2693 B9R1.100 O=C(NCCF)C1CC1 11a_100000724931_100000210395 [0,0,0,1,0,0|2,0,0]=3 2694 B9R1.100 O=C(NCCF)C1CC1 1626a_100000724931_100000210395 [0,0,0,1,0,0|2,0,0]=3 2695 B9R1.100 O=C(NCCF)C1CC1 240690a_100000724931_100000210395 [0,0,0,1,0,0|2,0,0]=3 2696 B9R1.100 O=C(NCCF)C1CC1 527a_100000724931_100000210395 [0,0,0,1,0,0|2,0,0]=3 2697 B9R1.100 O=C(NCCF)C1CO1 11a_100000724931_100000701028 [0,0,0,1,0,0|3,0,0]=4 2698 B9R1.100 O=C(NCCF)C1CO1 1626a_100000724931_100000701028 [0,0,0,1,0,0|3,0,0]=4 2699 B9R1.100 O=C(NCCF)C1CO1 240690a_100000724931_100000701028 [0,0,0,1,0,0|3,0,0]=4 2700 B9R1.100 O=C(NCCF)C1CO1 527a_100000724931_100000701028 [0,0,0,1,0,0|3,0,0]=4 2701 B9R1.100 O=C(NCCO)C1CC1 240690a_100000210304_100000210395 [0,0,0,1,0,0|2,0,0]=3 2702 B9R1.100 O=C(NCCO)C1CC1 527a_100000210304_100000210395 [0,0,0,1,0,0|2,0,0]=3 2703 B9R1.100 O=C(NCCO)C1CO1 240690a_100000210304_100000701028 [0,0,0,1,0,0|3,0,0]=4 2704 B9R1.100 O=C(NCCO)C1CO1 527a_100000210304_100000701028 [0,0,0,1,0,0|3,0,0]=4 2705 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [0,0,0,1,0,0|2,0,0]=3 2706 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [0,0,0,1,0,0|2,0,0]=3 2707 B9R1.106 CC1CCN(C1(C)C)C 2230a_102516457003_200000210301 [0,0,0,1,0,0|2,0,0]=3 2708 B9R1.106 CC1CCN(C1(C)C)C 269982a_102516457003_200000210301 [0,0,0,1,0,0|2,0,0]=3 2709 B9R1.106 CC1CCN(C1(C)C)C 34a_102516457003_200000210301 [0,0,0,1,0,0|2,0,0]=3 2710 B9R1.106 CC1CCN(C1(C)C)[13CH3] 2230a_102516457003_200025704644 [0,0,0,1,0,0|2,0,0]=3 2711 B9R1.106 CC1CCN(C1(C)C)[13CH3] 269982a_102516457003_200025704644 [0,0,0,1,0,0|2,0,0]=3 2712 B9R1.106 CC1CCN(C1(C)C)[13CH3] 34a_102516457003_200025704644 [0,0,0,1,0,0|2,0,0]=3 2713 B9R1.110 C=C(C)C(=O)C1CCC1 1458a_100000185857_100000749161 [0,0,0,1,0,0|0,0,2]=3 2714 B9R1.110 C=C(C)C(=O)C1COC1 1458a_100000185857_100000687716 [0,0,0,1,0,0|1,0,2]=4 2715 B9R1.110 C=C(C)C(=O)N1CCC1 11a_100000754969_100000185857 [0,0,0,1,0,0|1,0,2]=4 2716 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000209988_100000210206 [0,0,0,1,0,0|0,0,0]=1 2717 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000210198_100000749161 [0,0,0,1,0,0|0,0,0]=1 2718 B9R1.110 CC(C)C(=O)C1CCO1 1458a_100000089072_100000210206 [0,0,0,1,0,0|1,0,0]=2 2719 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000210198_100000687716 [0,0,0,1,0,0|1,0,0]=2 2720 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000758290_100000210206 [0,0,0,1,0,0|1,0,0]=2 2721 B9R1.110 CC(C)C(=O)N1CCC1 11a_100000754969_100000210198 [0,0,0,1,0,0|1,0,0]=2 2722 B9R1.110 CC(C)C(=O)N1CCC1 240690a_100000754969_100000210198 [0,0,0,1,0,0|1,0,0]=2 2723 B9R1.110 CC(C)C(=O)N1CCC1 527a_100000754969_100000210198 [0,0,0,1,0,0|1,0,0]=2 2724 B9R1.110 CC(C)N(C)C1CCC1 2230a_100000758072_100000210206 [0,0,0,1,0,0|2,0,0]=3 2725 B9R1.110 CC(C)N(C)C1CCC1 269982a_100000758072_100000210206 [0,0,0,1,0,0|2,0,0]=3 2726 B9R1.110 CC(C)N(C)C1CCC1 269982a_200000211004_100000749161 [0,0,0,1,0,0|2,0,0]=3 2727 B9R1.110 CC(C)N(C)C1CCC1 270004a_200000211004_100000241760 [0,0,0,1,0,0|2,0,0]=3 2728 B9R1.110 CC(C)N(C)C1CCC1 34a_100000758072_100000210206 [0,0,0,1,0,0|2,0,0]=3 2729 B9R1.110 CC(C)N(C)C1COC1 2230a_100102693430_100000210206 [0,0,0,1,0,0|3,0,0]=4 2730 B9R1.110 CC(C)N(C)C1COC1 269982a_100102693430_100000210206 [0,0,0,1,0,0|3,0,0]=4 2731 B9R1.110 CC(C)N(C)C1COC1 269982a_200000211004_100000687716 [0,0,0,1,0,0|3,0,0]=4 2732 B9R1.110 CC(F)C(=O)C1CCC1 1458a_100000062450_100000749161 [0,0,0,1,0,0|1,0,0]=2 2733 B9R1.110 CC(F)C(=O)C1COC1 1458a_100000062450_100000687716 [0,0,0,1,0,0|2,0,0]=3 2734 B9R1.110 CC(F)C(=O)N1CCC1 11a_100000754969_100000062450 [0,0,0,1,0,0|2,0,0]=3 2735 B9R1.110 CC(F)C(=O)N1CCC1 240690a_100000754969_100000062450 [0,0,0,1,0,0|2,0,0]=3 2736 B9R1.110 CC(F)C(=O)N1CCC1 527a_100000754969_100000062450 [0,0,0,1,0,0|2,0,0]=3 2737 B9R1.110 CN(C)C(=O)C1CCC1 11a_100102631434_100000209988 [0,0,0,1,0,0|1,0,0]=2 2738 B9R1.110 CN(C)C(=O)C1CCC1 1626a_100102631434_100000209988 [0,0,0,1,0,0|1,0,0]=2 2739 B9R1.110 CN(C)C(=O)C1CCC1 240690a_100102631434_100000209988 [0,0,0,1,0,0|1,0,0]=2 2740 B9R1.110 CN(C)C(=O)C1CCC1 527a_100102631434_100000209988 [0,0,0,1,0,0|1,0,0]=2 2741 B9R1.110 CN(C)C(=O)C1CCO1 11a_100102631434_100000089072 [0,0,0,1,0,0|2,0,0]=3 2742 B9R1.110 CN(C)C(=O)C1CCO1 1626a_100102631434_100000089072 [0,0,0,1,0,0|2,0,0]=3 2743 B9R1.110 CN(C)C(=O)C1CCO1 240690a_100102631434_100000089072 [0,0,0,1,0,0|2,0,0]=3 2744 B9R1.110 CN(C)C(=O)C1CCO1 527a_100102631434_100000089072 [0,0,0,1,0,0|2,0,0]=3 2745 B9R1.110 CN(C)C(=O)C1COC1 11a_100102631434_100000758290 [0,0,0,1,0,0|2,0,0]=3 2746 B9R1.110 CN(C)C(=O)C1COC1 1626a_100102631434_100000758290 [0,0,0,1,0,0|2,0,0]=3 2747 B9R1.110 CN(C)C(=O)C1COC1 240690a_100102631434_100000758290 [0,0,0,1,0,0|2,0,0]=3 2748 B9R1.110 CN(C)C(=O)C1COC1 527a_100102631434_100000758290 [0,0,0,1,0,0|2,0,0]=3 2749 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,0,0,1,0,0|1,0,0]=2 2750 B9R1.110 C[C@@H](O)C(=O)C1COC1 1458a_100000717761_100000687716 [0,0,0,1,0,0|2,0,0]=3 2751 B9R1.110 C[C@@H](O)C(=O)N1CCC1 240690a_100000754969_100000717761 [0,0,0,1,0,0|2,0,0]=3 2752 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,0,0,1,0,0|1,0,0]=2 2753 B9R1.110 C[C@H](O)C(=O)C1COC1 1458a_217856618621_100000687716 [0,0,0,1,0,0|2,0,0]=3 2754 B9R1.110 C[C@H](O)C(=O)N1CCC1 240690a_100000754969_217856618621 [0,0,0,1,0,0|2,0,0]=3 2755 B9R1.110 O=C(C(F)F)N1CCC1 11a_100000754969_100000210393 [0,0,0,1,0,0|3,0,0]=4 2756 B9R1.110 O=C(C(F)F)N1CCC1 240690a_100000754969_100000210393 [0,0,0,1,0,0|3,0,0]=4 2757 B9R1.110 O=C(C(F)F)N1CCC1 527a_100000754969_100000210393 [0,0,0,1,0,0|3,0,0]=4 2758 B9R1.110 O=C(C(O)O)C1CCC1 1458a_100000233687_100000749161 [0,0,0,1,0,0|2,0,0]=3 2759 B9R1.110 O=C(C(O)O)C1COC1 1458a_100000233687_100000687716 [0,0,0,1,0,0|3,0,0]=4 2760 B9R1.110 O=C(C(O)O)N1CCC1 240690a_100000754969_100000233687 [0,0,0,1,0,0|3,0,0]=4 2761 B9R1.112 C=C(C)C(=O)CC1CC1 1458a_100000185857_100000742324 [0,0,0,1,0,0|0,0,2]=3 2762 B9R1.112 C=C(C)C(=O)CC1CO1 1458a_100000185857_100011216344 [0,0,0,1,0,0|1,0,2]=4 2763 B9R1.112 C=C(C)C(=O)CC1CS1 1458a_100000185857_100000031435 [0,0,0,1,0,0|1,0,2]=4 2764 B9R1.112 C=C(C)C(=O)C[C@@H]1CO1 1458a_100000185857_100000745022 [0,0,0,1,0,0|1,0,2]=4 2765 B9R1.112 C=C(C)C(=O)NC1CC1 1626a_100000212008_100000185857 [0,0,0,1,0,0|1,0,2]=4 2766 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,0,0,1,0,0|2,0,1]=4 2767 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000210198_100000742324 [0,0,0,1,0,0|0,0,0]=1 2768 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000738066_100000210206 [0,0,0,1,0,0|0,0,0]=1 2769 B9R1.112 CC(C)C(=O)CC1CO1 1458a_100000210198_100011216344 [0,0,0,1,0,0|1,0,0]=2 2770 B9R1.112 CC(C)C(=O)CC1CS1 1458a_100000210198_100000031435 [0,0,0,1,0,0|1,0,0]=2 2771 B9R1.112 CC(C)C(=O)C[C@@H]1CO1 1458a_100000210198_100000745022 [0,0,0,1,0,0|1,0,0]=2 2772 B9R1.112 CC(C)C(=O)NC1CC1 1626a_100000212008_100000210198 [0,0,0,1,0,0|1,0,0]=2 2773 B9R1.112 CC(C)C(=O)NC1CC1 240690a_100000212008_100000210198 [0,0,0,1,0,0|1,0,0]=2 2774 B9R1.112 CC(C)C(=O)NC1CC1 527a_100000212008_100000210198 [0,0,0,1,0,0|1,0,0]=2 2775 B9R1.112 CC(C)N(C)CC1CC1 2230a_100000738798_200000210301 [0,0,0,1,0,0|2,0,0]=3 2776 B9R1.112 CC(C)N(C)CC1CC1 2230a_100000741881_100000210206 [0,0,0,1,0,0|2,0,0]=3 2777 B9R1.112 CC(C)N(C)CC1CC1 269982a_100000738798_200000210301 [0,0,0,1,0,0|2,0,0]=3 2778 B9R1.112 CC(C)N(C)CC1CC1 269982a_100000741881_100000210206 [0,0,0,1,0,0|2,0,0]=3 2779 B9R1.112 CC(C)N(C)CC1CC1 269982a_200000211004_100000756562 [0,0,0,1,0,0|2,0,0]=3 2780 B9R1.112 CC(C)N(C)CC1CC1 34a_100000738798_200000210301 [0,0,0,1,0,0|2,0,0]=3 2781 B9R1.112 CC(C)N(C)CC1CO1 269982a_200000211004_102125554688 [0,0,0,1,0,0|3,0,0]=4 2782 B9R1.112 CC(C)N(C)CC1CS1 269982a_200000211004_100000031435 [0,0,0,1,0,0|3,0,0]=4 2783 B9R1.112 CC(C)N(C)C[C@@H]1CO1 269982a_200000211004_100000745022 [0,0,0,1,0,0|3,0,0]=4 2784 B9R1.112 CC(C)N([13CH3])CC1CC1 2230a_100000738798_200025704644 [0,0,0,1,0,0|2,0,0]=3 2785 B9R1.112 CC(C)N([13CH3])CC1CC1 269982a_100000738798_200025704644 [0,0,0,1,0,0|2,0,0]=3 2786 B9R1.112 CC(C)N([13CH3])CC1CC1 34a_100000738798_200025704644 [0,0,0,1,0,0|2,0,0]=3 2787 B9R1.112 CC(CC1CC1)N(C)C 270004a_100102631434_200000686933 [0,0,0,1,0,0|2,0,1]=4 2788 B9R1.112 CC(F)C(=O)CC1CC1 1458a_100000062450_100000742324 [0,0,0,1,0,0|1,0,0]=2 2789 B9R1.112 CC(F)C(=O)CC1CO1 1458a_100000062450_100011216344 [0,0,0,1,0,0|2,0,0]=3 2790 B9R1.112 CC(F)C(=O)CC1CS1 1458a_100000062450_100000031435 [0,0,0,1,0,0|2,0,0]=3 2791 B9R1.112 CC(F)C(=O)C[C@@H]1CO1 1458a_100000062450_100000745022 [0,0,0,1,0,0|2,0,0]=3 2792 B9R1.112 CC(F)C(=O)NC1CC1 1626a_100000212008_100000062450 [0,0,0,1,0,0|2,0,0]=3 2793 B9R1.112 CC(F)C(=O)NC1CC1 240690a_100000212008_100000062450 [0,0,0,1,0,0|2,0,0]=3 2794 B9R1.112 CC(F)C(=O)NC1CC1 527a_100000212008_100000062450 [0,0,0,1,0,0|2,0,0]=3 2795 B9R1.112 CN(C)C(=O)CC1CC1 11a_100102631434_100000738066 [0,0,0,1,0,0|1,0,0]=2 2796 B9R1.112 CN(C)C(=O)CC1CC1 1626a_100102631434_100000738066 [0,0,0,1,0,0|1,0,0]=2 2797 B9R1.112 CN(C)C(=O)CC1CC1 240690a_100102631434_100000738066 [0,0,0,1,0,0|1,0,0]=2 2798 B9R1.112 CN(C)C(=O)CC1CC1 527a_100102631434_100000738066 [0,0,0,1,0,0|1,0,0]=2 2799 B9R1.112 CN(C)C(=O)NC1CC1 2708a_100000212008_100102631434 [0,0,0,1,0,0|2,0,0]=3 2800 B9R1.112 C[C@@H](O)C(=O)CC1CC1 1458a_100000717761_100000742324 [0,0,0,1,0,0|1,0,0]=2 2801 B9R1.112 C[C@@H](O)C(=O)CC1CO1 1458a_100000717761_100011216344 [0,0,0,1,0,0|2,0,0]=3 2802 B9R1.112 C[C@@H](O)C(=O)CC1CS1 1458a_100000717761_100000031435 [0,0,0,1,0,0|2,0,0]=3 2803 B9R1.112 C[C@@H](O)C(=O)C[C@@H]1CO1 1458a_100000717761_100000745022 [0,0,0,1,0,0|2,0,0]=3 2804 B9R1.112 C[C@@H](O)C(=O)NC1CC1 240690a_100000212008_100000717761 [0,0,0,1,0,0|2,0,0]=3 2805 B9R1.112 C[C@H](O)C(=O)CC1CC1 1458a_217856618621_100000742324 [0,0,0,1,0,0|1,0,0]=2 2806 B9R1.112 C[C@H](O)C(=O)CC1CO1 1458a_217856618621_100011216344 [0,0,0,1,0,0|2,0,0]=3 2807 B9R1.112 C[C@H](O)C(=O)CC1CS1 1458a_217856618621_100000031435 [0,0,0,1,0,0|2,0,0]=3 2808 B9R1.112 C[C@H](O)C(=O)C[C@@H]1CO1 1458a_217856618621_100000745022 [0,0,0,1,0,0|2,0,0]=3 2809 B9R1.112 C[C@H](O)C(=O)NC1CC1 1626a_100000212008_217856618621 [0,0,0,1,0,0|2,0,0]=3 2810 B9R1.112 C[C@H](O)C(=O)NC1CC1 240690a_100000212008_217856618621 [0,0,0,1,0,0|2,0,0]=3 2811 B9R1.112 O=C(CC1CC1)C(O)O 1458a_100000233687_100000742324 [0,0,0,1,0,0|2,0,0]=3 2812 B9R1.112 O=C(CC1CO1)C(O)O 1458a_100000233687_100011216344 [0,0,0,1,0,0|3,0,0]=4 2813 B9R1.112 O=C(CC1CS1)C(O)O 1458a_100000233687_100000031435 [0,0,0,1,0,0|3,0,0]=4 2814 B9R1.112 O=C(C[C@@H]1CO1)C(O)O 1458a_100000233687_100000745022 [0,0,0,1,0,0|3,0,0]=4 2815 B9R1.112 O=C(NC1CC1)C(F)F 1626a_100000212008_100000210393 [0,0,0,1,0,0|3,0,0]=4 2816 B9R1.112 O=C(NC1CC1)C(F)F 240690a_100000212008_100000210393 [0,0,0,1,0,0|3,0,0]=4 2817 B9R1.112 O=C(NC1CC1)C(F)F 527a_100000212008_100000210393 [0,0,0,1,0,0|3,0,0]=4 2818 B9R1.112 O=C(NC1CC1)C(O)O 240690a_100000212008_100000233687 [0,0,0,1,0,0|3,0,0]=4 2819 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,0,0,1,0,0|2,0,1]=4 2820 B9R0.4 C#CCCC(=O)C=C(C)C 1458a_100000211388_100000753159 [0,0,0,0,0,1|0,0,3]=4 2821 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000210554_100000753159 [0,0,0,0,0,1|0,0,2]=3 2822 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000692101_100000210624 [0,0,0,0,0,1|0,0,2]=3 2823 B9R0.4 C#CCCC(=O)CC(C)O 1458a_100000692101_100011218427 [0,0,0,0,0,1|1,0,2]=4 2824 B9R0.4 C#CCCC(=O)CN(C)C 1458a_100000750896_100000753159 [0,0,0,0,0,1|1,0,2]=4 2825 B9R0.4 C#CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000753159 [0,0,0,0,0,1|1,0,2]=4 2826 B9R0.4 C#CCCC(=O)C[S+](C)C 1458a_200159257847_100000753159 [0,0,0,0,0,1|1,0,2]=4 2827 B9R0.4 C#CCCC(=O)NC(C)C 11a_100138425928_100000692101 [0,0,0,0,0,1|0,0,2]=3 2828 B9R0.4 C#CCCC(=O)NC(C)C 1626a_100138425928_100000692101 [0,0,0,0,0,1|0,0,2]=3 2829 B9R0.4 C#CCCC(=O)NC(C)C 240690a_100138425928_100000692101 [0,0,0,0,0,1|0,0,2]=3 2830 B9R0.4 C#CCCC(=O)NC(C)C 527a_100138425928_100000692101 [0,0,0,0,0,1|0,0,2]=3 2831 B9R0.4 C#CCNC(=O)CC(C)C 11a_100000212058_100000210554 [0,0,0,0,0,1|1,0,2]=4 2832 B9R0.4 C#CCNC(=O)CC(C)C 1626a_100000212058_100000210554 [0,0,0,0,0,1|1,0,2]=4 2833 B9R0.4 C#CCNC(=O)CC(C)C 240690a_100000212058_100000210554 [0,0,0,0,0,1|1,0,2]=4 2834 B9R0.4 C#CCNC(=O)CC(C)C 527a_100000212058_100000210554 [0,0,0,0,0,1|1,0,2]=4 2835 B9R0.4 C#CCNC(=O)NC(C)C 2708a_100000212058_100138425928 [0,0,0,0,0,1|1,0,2]=4 2836 B9R0.4 C#CCNC(=O)NC(C)C 2708a_100138425928_100000212058 [0,0,0,0,0,1|1,0,2]=4 2837 B9R0.4 C#CCNC(=O)NC(C)C 273464a_100138425928_100000212058 [0,0,0,0,0,1|1,0,2]=4 2838 B9R0.4 C#CCNC(=O)NC(C)C 512a_100000212058_100138425928 [0,0,0,0,0,1|1,0,2]=4 2839 B9R0.4 C#CCNC(=O)NC(C)C 512a_100138425928_100000212058 [0,0,0,0,0,1|1,0,2]=4 2840 B9R0.4 C/C=C/CC(=O)C=C(C)C 1458a_100000211388_100102629194 [0,0,0,0,0,1|0,0,3]=4 2841 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [0,0,0,0,0,1|0,0,2]=3 2842 B9R0.4 C/C=C/CC(=O)CN(C)C 1458a_100000750896_100102629194 [0,0,0,0,0,1|1,0,2]=4 2843 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [0,0,0,0,0,1|1,0,2]=4 2844 B9R0.4 C/C=C/CC(=O)C[S+](C)C 1458a_200159257847_100102629194 [0,0,0,0,0,1|1,0,2]=4 2845 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,0,0,0,0,1|0,0,2]=3 2846 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,0,0,0,0,1|1,0,2]=4 2847 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,0,0,0,0,1|1,0,2]=4 2848 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,0,0,0,0,1|1,0,2]=4 2849 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,0,0,0,0,1|1,0,2]=4 2850 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,0,0,0,0,1|1,0,2]=4 2851 B9R0.4 C=CCCC(=O)C=C(C)C 1458a_100000211388_100000754431 [0,0,0,0,0,1|0,0,3]=4 2852 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [0,0,0,0,0,1|0,0,2]=3 2853 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [0,0,0,0,0,1|0,0,2]=3 2854 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [0,0,0,0,0,1|1,0,2]=4 2855 B9R0.4 C=CCCC(=O)CN(C)C 1458a_100000750896_100000754431 [0,0,0,0,0,1|1,0,2]=4 2856 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [0,0,0,0,0,1|1,0,2]=4 2857 B9R0.4 C=CCCC(=O)C[S+](C)C 1458a_200159257847_100000754431 [0,0,0,0,0,1|1,0,2]=4 2858 B9R0.4 C=CCCC(=O)NC(C)C 11a_100138425928_100000749702 [0,0,0,0,0,1|0,0,2]=3 2859 B9R0.4 C=CCCC(=O)NC(C)C 1626a_100138425928_100000749702 [0,0,0,0,0,1|0,0,2]=3 2860 B9R0.4 C=CCCC(=O)NC(C)C 240690a_100138425928_100000749702 [0,0,0,0,0,1|0,0,2]=3 2861 B9R0.4 C=CCCC(=O)NC(C)C 527a_100138425928_100000749702 [0,0,0,0,0,1|0,0,2]=3 2862 B9R0.4 C=CCNC(=O)CC(C)C 1626a_100020586998_100000210554 [0,0,0,0,0,1|1,0,2]=4 2863 B9R0.4 C=CCNC(=O)CC(C)C 240690a_100020586998_100000210554 [0,0,0,0,0,1|1,0,2]=4 2864 B9R0.4 C=CCNC(=O)CC(C)C 527a_100020586998_100000210554 [0,0,0,0,0,1|1,0,2]=4 2865 B9R0.4 C=CCNC(=O)NC(C)C 2708a_100138425928_100020586998 [0,0,0,0,0,1|1,0,2]=4 2866 B9R0.4 C=CCNC(=O)NC(C)C 273464a_100138425928_100020586998 [0,0,0,0,0,1|1,0,2]=4 2867 B9R0.4 C=CCNC(=O)NC(C)C 512a_100020586998_100138425928 [0,0,0,0,0,1|1,0,2]=4 2868 B9R0.4 C=CCNC(=O)NC(C)C 512a_100138425928_100020586998 [0,0,0,0,0,1|1,0,2]=4 2869 B9R0.4 CC#CCC(=O)C=C(C)C 1458a_100000211388_100000748600 [0,0,0,0,0,1|0,0,3]=4 2870 B9R0.4 CC#CCC(=O)CC(C)C 1458a_100000210554_100000748600 [0,0,0,0,0,1|0,0,2]=3 2871 B9R0.4 CC#CCC(=O)CN(C)C 1458a_100000750896_100000748600 [0,0,0,0,0,1|1,0,2]=4 2872 B9R0.4 CC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000748600 [0,0,0,0,0,1|1,0,2]=4 2873 B9R0.4 CC#CCC(=O)C[S+](C)C 1458a_200159257847_100000748600 [0,0,0,0,0,1|1,0,2]=4 2874 B9R0.4 CC(=CC(=O)CCC#N)C 1458a_100000211388_100011215226 [0,0,0,0,0,1|1,0,2]=4 2875 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [0,0,0,0,0,1|1,0,1]=3 2876 B9R0.4 CC(=CC(=O)CCCF)Cl 1458a_200042562850_100011934791 [0,0,0,0,0,1|2,0,1]=4 2877 B9R0.4 CC(=CC(=O)CCCF)I 1458a_100025716642_100011934791 [0,0,0,0,0,1|2,0,1]=4 2878 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,0,0,0,0,1|1,0,1]=3 2879 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [0,0,0,0,0,1|2,0,1]=4 2880 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [0,0,0,0,0,1|2,0,1]=4 2881 B9R0.4 CC(=CC(=O)NCCF)C 11a_100000724931_100000211388 [0,0,0,0,0,1|2,0,1]=4 2882 B9R0.4 CC(=CC(=O)NCCF)C 1626a_100000724931_100000211388 [0,0,0,0,0,1|2,0,1]=4 2883 B9R0.4 CC(=CC(=O)NCCF)C 240690a_100000724931_100000211388 [0,0,0,0,0,1|2,0,1]=4 2884 B9R0.4 CC(=CC(=O)NCCO)C 240690a_100000210304_100000211388 [0,0,0,0,0,1|2,0,1]=4 2885 B9R0.4 CC(C)CC(=O)C#CCO 1458a_100000049017_100000210624 [0,0,0,0,0,1|1,0,2]=4 2886 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100000210554_100011215226 [0,0,0,0,0,1|1,0,1]=3 2887 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100011934036_100000210624 [0,0,0,0,0,1|1,0,1]=3 2888 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,0,0,0,0,1|1,0,0]=2 2889 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,0,0,0,0,1|1,0,0]=2 2890 B9R0.4 CC(C)CC(=O)NCC#N 1626a_100000734998_100000210554 [0,0,0,0,0,1|2,0,1]=4 2891 B9R0.4 CC(C)CC(=O)NCC#N 527a_100000734998_100000210554 [0,0,0,0,0,1|2,0,1]=4 2892 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [0,0,0,0,0,1|2,0,0]=3 2893 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [0,0,0,0,0,1|2,0,0]=3 2894 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [0,0,0,0,0,1|2,0,0]=3 2895 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [0,0,0,0,0,1|2,0,0]=3 2896 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [0,0,0,0,0,1|2,0,0]=3 2897 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [0,0,0,0,0,1|2,0,0]=3 2898 B9R0.4 CC(C)CN(C)CCCF 2230a_100000747067_100011934791 [0,0,0,0,0,1|3,0,0]=4 2899 B9R0.4 CC(C)CN(C)CCCF 269982a_100000747067_100011934791 [0,0,0,0,0,1|3,0,0]=4 2900 B9R0.4 CC(C)CN(C)CCCO 2230a_100000213112_100000210760 [0,0,0,0,0,1|3,0,0]=4 2901 B9R0.4 CC(C)CN(C)CCCO 2230a_100000747067_100000230001 [0,0,0,0,0,1|3,0,0]=4 2902 B9R0.4 CC(C)CN(C)CCCO 269982a_100000213112_100000210624 [0,0,0,0,0,1|3,0,0]=4 2903 B9R0.4 CC(C)CN(C)CCCO 269982a_100000747067_100011215043 [0,0,0,0,0,1|3,0,0]=4 2904 B9R0.4 CC(C)CN(C)CCCO 270004a_100000213112_100000210432 [0,0,0,0,0,1|3,0,0]=4 2905 B9R0.4 CC(C)C[C@H](N)CCO[13CH3] 34a_100161151251_200025704644 [0,0,0,0,0,1|2,0,1]=4 2906 B9R0.4 CC(C)NC(=O)CCC#N 11a_100138425928_100011934036 [0,0,0,0,0,1|1,0,1]=3 2907 B9R0.4 CC(C)NC(=O)CCC#N 1626a_100138425928_100011934036 [0,0,0,0,0,1|1,0,1]=3 2908 B9R0.4 CC(C)NC(=O)CCC#N 240690a_100138425928_100011934036 [0,0,0,0,0,1|1,0,1]=3 2909 B9R0.4 CC(C)NC(=O)CCC#N 527a_100138425928_100011934036 [0,0,0,0,0,1|1,0,1]=3 2910 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,0,0,0,0,1|1,0,0]=2 2911 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,0,0,0,0,1|1,0,0]=2 2912 B9R0.4 CC(C)NC(=O)CN=[N+]=[N-] 11a_100138425928_100000751907 [0,0,0,0,0,1|3,0,0]=4 2913 B9R0.4 CC(C)NC(=O)CN=[N+]=[N-] 240690a_100138425928_100000751907 [0,0,0,0,0,1|3,0,0]=4 2914 B9R0.4 CC(C)NC(=O)CSCF 62a_100000183996_100015361967 [0,0,0,0,0,1|2,0,0]=3 2915 B9R0.4 CC(C)NC(=O)CSCF 62a_100015361967_100000183996 [0,0,0,0,0,1|2,0,0]=3 2916 B9R0.4 CC(C)NC(=O)NCC#N 2708a_100000734998_100138425928 [0,0,0,0,0,1|2,0,1]=4 2917 B9R0.4 CC(C)NC(=O)NCC#N 273464a_100138425928_100000734998 [0,0,0,0,0,1|2,0,1]=4 2918 B9R0.4 CC(C)NC(=O)NCC#N 512a_100000734998_100138425928 [0,0,0,0,0,1|2,0,1]=4 2919 B9R0.4 CC(C)NC(=O)NCC#N 512a_100138425928_100000734998 [0,0,0,0,0,1|2,0,1]=4 2920 B9R0.4 CC(C)NC(=O)NCCF 2708a_100138425928_100000724931 [0,0,0,0,0,1|2,0,0]=3 2921 B9R0.4 CC(C)NC(=O)NCCF 273464a_100138425928_100000724931 [0,0,0,0,0,1|2,0,0]=3 2922 B9R0.4 CC(C)NC(=O)NCCF 512a_100138425928_100000724931 [0,0,0,0,0,1|2,0,0]=3 2923 B9R0.4 CC(C)NC(=O)NCCO 2708a_100138425928_100000210304 [0,0,0,0,0,1|2,0,0]=3 2924 B9R0.4 CC(C)NC(=O)NCCO 273464a_100138425928_100000210304 [0,0,0,0,0,1|2,0,0]=3 2925 B9R0.4 CC(C)NC(=O)NCCO 512a_100138425928_100000210304 [0,0,0,0,0,1|2,0,0]=3 2926 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,0,0,0,0,1|1,0,0]=2 2927 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,0,0,0,0,1|1,0,0]=2 2928 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [0,0,0,0,0,1|2,0,0]=3 2929 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [0,0,0,0,0,1|2,0,0]=3 2930 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,0,0,0,0,1|2,0,0]=3 2931 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,0,0,0,0,1|2,0,0]=3 2932 B9R0.4 CC(C)OC(C)CCCCl 34a_200000718107_100000210206 [0,0,0,0,0,1|2,0,1]=4 2933 B9R0.4 CC(C)OC(C)CCCCl 7a_200000718107_100000210206 [0,0,0,0,0,1|2,0,1]=4 2934 B9R0.4 CC(O)CC(=O)CCC#N 1458a_100011934036_100011218427 [0,0,0,0,0,1|2,0,1]=4 2935 B9R0.4 CC=CCC(=O)C=C(C)C 1458a_100000211388_100000070051 [0,0,0,0,0,1|0,0,3]=4 2936 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [0,0,0,0,0,1|0,0,2]=3 2937 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [0,0,0,0,0,1|0,0,2]=3 2938 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [0,0,0,0,0,1|1,0,2]=4 2939 B9R0.4 CC=CCC(=O)CN(C)C 1458a_100000750896_100000070051 [0,0,0,0,0,1|1,0,2]=4 2940 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [0,0,0,0,0,1|1,0,2]=4 2941 B9R0.4 CC=CCC(=O)C[S+](C)C 1458a_200159257847_100000070051 [0,0,0,0,0,1|1,0,2]=4 2942 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [0,0,0,0,0,1|0,0,2]=3 2943 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [0,0,0,0,0,1|0,0,2]=3 2944 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [0,0,0,0,0,1|0,0,2]=3 2945 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [0,0,0,0,0,1|0,0,2]=3 2946 B9R0.4 CC=NNC(=O)CC(C)C 4a_100000189787_200000210099 [0,0,0,0,0,1|2,0,1]=4 2947 B9R0.4 CCC#CC(=O)CC(C)C 1458a_100011827653_100000210624 [0,0,0,0,0,1|0,0,2]=3 2948 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [0,0,0,0,0,1|1,0,2]=4 2949 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,0,0,0,0,1|0,0,2]=3 2950 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,0,0,0,0,1|1,0,2]=4 2951 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [0,0,0,0,0,1|0,0,2]=3 2952 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [0,0,0,0,0,1|0,0,2]=3 2953 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [0,0,0,0,0,1|0,0,2]=3 2954 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,0,0,0,0,1|0,0,1]=2 2955 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,0,0,0,0,1|1,0,1]=3 2956 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,0,0,0,0,1|1,0,1]=3 2957 B9R0.4 CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210211 [0,0,0,0,0,1|2,0,1]=4 2958 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,0,0,0,0,1|2,0,1]=4 2959 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,0,0,0,0,1|2,0,1]=4 2960 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,0,0,0,0,1|2,0,1]=4 2961 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,0,0,0,0,1|0,0,0]=1 2962 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,0,0,0,0,1|0,0,0]=1 2963 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,0,0,0,0,1|1,0,0]=2 2964 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [0,0,0,0,0,1|2,0,0]=3 2965 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,0,0,0,0,1|1,0,0]=2 2966 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,0,0,0,0,1|1,0,0]=2 2967 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [0,0,0,0,0,1|3,0,0]=4 2968 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,0,0,0,0,1|1,0,0]=2 2969 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,0,0,0,0,1|0,0,0]=1 2970 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,0,0,0,0,1|0,0,0]=1 2971 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,0,0,0,0,1|0,0,0]=1 2972 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,0,0,0,0,1|0,0,0]=1 2973 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [0,0,0,0,0,1|1,0,1]=3 2974 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [0,0,0,0,0,1|1,0,1]=3 2975 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [0,0,0,0,0,1|1,0,1]=3 2976 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [0,0,0,0,0,1|1,0,1]=3 2977 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [0,0,0,0,0,1|1,0,1]=3 2978 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [0,0,0,0,0,1|1,0,1]=3 2979 B9R0.4 CCCCC(C)SC(C)C 62a_100000210206_200011215066 [0,0,0,0,0,1|1,0,1]=3 2980 B9R0.4 CCCCC(C)SC(C)C 62a_200011215066_100000210206 [0,0,0,0,0,1|1,0,1]=3 2981 B9R0.4 CCCCN(C)CC(C)C 2230a_100000207549_100000210760 [0,0,0,0,0,1|2,0,0]=3 2982 B9R0.4 CCCCN(C)CC(C)C 2230a_100000747067_100000210211 [0,0,0,0,0,1|2,0,0]=3 2983 B9R0.4 CCCCN(C)CC(C)C 269982a_100000207549_100000210624 [0,0,0,0,0,1|2,0,0]=3 2984 B9R0.4 CCCCN(C)CC(C)C 269982a_100000747067_100000210211 [0,0,0,0,0,1|2,0,0]=3 2985 B9R0.4 CCCCN(C)CC(C)C 270004a_100000207549_100000210432 [0,0,0,0,0,1|2,0,0]=3 2986 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [0,0,0,0,0,1|3,0,0]=4 2987 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [0,0,0,0,0,1|3,0,0]=4 2988 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [0,0,0,0,0,1|3,0,0]=4 2989 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [0,0,0,0,0,1|3,0,0]=4 2990 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [0,0,0,0,0,1|3,0,0]=4 2991 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [0,0,0,0,0,1|3,0,0]=4 2992 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [0,0,0,0,0,1|1,0,1]=3 2993 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [0,0,0,0,0,1|1,0,1]=3 2994 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [0,0,0,0,0,1|1,0,1]=3 2995 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [0,0,0,0,0,1|2,0,1]=4 2996 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [0,0,0,0,0,1|2,0,1]=4 2997 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [0,0,0,0,0,1|2,0,1]=4 2998 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [0,0,0,0,0,1|2,0,1]=4 2999 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [0,0,0,0,0,1|2,0,1]=4 3000 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,0,0,0,0,1|2,0,1]=4 3001 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,0,0,0,0,1|1,0,0]=2 3002 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,0,0,0,0,1|1,0,0]=2 3003 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,0,0,0,0,1|1,0,0]=2 3004 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,0,0,0,0,1|1,0,0]=2 3005 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [0,0,0,0,0,1|2,0,0]=3 3006 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [0,0,0,0,0,1|2,0,0]=3 3007 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [0,0,0,0,0,1|2,0,0]=3 3008 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [0,0,0,0,0,1|2,0,0]=3 3009 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [0,0,0,0,0,1|2,0,0]=3 3010 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [0,0,0,0,0,1|2,0,0]=3 3011 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [0,0,0,0,0,1|2,0,0]=3 3012 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [0,0,0,0,0,1|2,0,0]=3 3013 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [0,0,0,0,0,1|2,0,0]=3 3014 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,0,0,0,0,1|2,0,0]=3 3015 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [0,0,0,0,0,1|2,0,0]=3 3016 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [0,0,0,0,0,1|2,0,0]=3 3017 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [0,0,0,0,0,1|2,0,0]=3 3018 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [0,0,0,0,0,1|2,0,0]=3 3019 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [0,0,0,0,0,1|1,0,0]=2 3020 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [0,0,0,0,0,1|1,0,0]=2 3021 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [0,0,0,0,0,1|1,0,0]=2 3022 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [0,0,0,0,0,1|1,0,0]=2 3023 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [0,0,0,0,0,1|1,0,0]=2 3024 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [0,0,0,0,0,1|2,0,1]=4 3025 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,0,0,0,0,1|2,0,1]=4 3026 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,0,0,0,0,1|2,0,0]=3 3027 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,0,0,0,0,1|2,0,0]=3 3028 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [0,0,0,0,0,1|2,0,1]=4 3029 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [0,0,0,0,0,1|2,0,1]=4 3030 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [0,0,0,0,0,1|2,0,1]=4 3031 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [0,0,0,0,0,1|2,0,1]=4 3032 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [0,0,0,0,0,1|2,0,1]=4 3033 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [0,0,0,0,0,1|1,0,0]=2 3034 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [0,0,0,0,0,1|1,0,0]=2 3035 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,0,0,0,0,1|1,0,0]=2 3036 B9R0.4 CCNNC(=O)C=C(C)C 22a_100000756455_100000211388 [0,0,0,0,0,1|2,0,1]=4 3037 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [0,0,0,0,0,1|2,0,0]=3 3038 B9R0.4 CCNNC(=O)CN(C)C 22a_100000756455_100000750896 [0,0,0,0,0,1|3,0,0]=4 3039 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [0,0,0,0,0,1|3,0,0]=4 3040 B9R0.4 CCNNC(=O)C[S+](C)C 22a_100000756455_200159257847 [0,0,0,0,0,1|3,0,0]=4 3041 B9R0.4 CCNNC(=O)NC(C)C 273464a_100138425928_100000756455 [0,0,0,0,0,1|2,0,0]=3 3042 B9R0.4 CCNNC(=O)NC(C)C 512a_100000756455_100138425928 [0,0,0,0,0,1|2,0,0]=3 3043 B9R0.4 CCNNC(=O)NC(C)C 512a_100138425928_100000756455 [0,0,0,0,0,1|2,0,0]=3 3044 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,0,0,0,0,1|1,0,0]=2 3045 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,0,0,0,0,1|2,0,0]=3 3046 B9R0.4 CCOCC(=O)CC(F)F 1458a_100000211967_100011934356 [0,0,0,0,0,1|3,0,0]=4 3047 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,0,0,0,0,1|1,0,0]=2 3048 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,0,0,0,0,1|1,0,0]=2 3049 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,0,0,0,0,1|1,0,0]=2 3050 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,0,0,0,0,1|1,0,0]=2 3051 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,0,0,0,0,1|1,0,0]=2 3052 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,0,0,0,0,1|1,0,0]=2 3053 B9R0.4 CCOCC(C)OC(C)C 34a_100000718985_100000210206 [0,0,0,0,0,1|2,0,1]=4 3054 B9R0.4 CCOCC(C)OC(C)C 7a_100000718985_100000210206 [0,0,0,0,0,1|2,0,1]=4 3055 B9R0.4 CCOCN(C)CC(C)C 269982a_100000747067_100000739092 [0,0,0,0,0,1|3,0,0]=4 3056 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [0,0,0,0,0,1|2,0,1]=4 3057 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,0,0,0,0,1|1,0,0]=2 3058 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,0,0,0,0,1|2,0,0]=3 3059 B9R0.4 CCSCC(=O)CC(F)F 1458a_100000230394_100011934356 [0,0,0,0,0,1|3,0,0]=4 3060 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,0,0,0,0,1|2,0,1]=4 3061 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [0,0,0,0,0,1|1,0,0]=2 3062 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [0,0,0,0,0,1|1,0,0]=2 3063 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [0,0,0,0,0,1|1,0,0]=2 3064 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [0,0,0,0,0,1|1,0,0]=2 3065 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [0,0,0,0,0,1|1,0,0]=2 3066 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [0,0,0,0,0,1|1,0,0]=2 3067 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,0,0,0,0,1|1,0,0]=2 3068 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,0,0,0,0,1|1,0,0]=2 3069 B9R0.4 CN(C)CC(=O)CCC#N 1458a_100000750896_100011215226 [0,0,0,0,0,1|2,0,1]=4 3070 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [0,0,0,0,0,1|2,0,0]=3 3071 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [0,0,0,0,0,1|2,0,0]=3 3072 B9R0.4 CN(C)CC(=O)NCCF 11a_100000724931_100000750896 [0,0,0,0,0,1|3,0,0]=4 3073 B9R0.4 CN(C)CC(=O)NCCF 240690a_100000724931_100000750896 [0,0,0,0,0,1|3,0,0]=4 3074 B9R0.4 CN(C)CC(=O)NCCF 527a_100000724931_100000750896 [0,0,0,0,0,1|3,0,0]=4 3075 B9R0.4 CN(C)CC(=O)NCCO 240690a_100000210304_100000750896 [0,0,0,0,0,1|3,0,0]=4 3076 B9R0.4 CN(C)CC(=O)NCCO 527a_100000210304_100000750896 [0,0,0,0,0,1|3,0,0]=4 3077 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,0,0,0,0,1|1,0,0]=2 3078 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,0,0,0,0,1|1,0,0]=2 3079 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,0,0,0,0,1|1,0,0]=2 3080 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,0,0,0,0,1|1,0,0]=2 3081 B9R0.4 COC=CC(=O)CC(C)C 1458a_100016268678_100000210624 [0,0,0,0,0,1|1,0,2]=4 3082 B9R0.4 COC=CC(=O)NC(C)C 1626a_100138425928_100016268678 [0,0,0,0,0,1|1,0,2]=4 3083 B9R0.4 COC=CC(=O)NC(C)C 240690a_100138425928_100016268678 [0,0,0,0,0,1|1,0,2]=4 3084 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,0,0,0,0,1|1,0,1]=3 3085 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [0,0,0,0,0,1|2,0,1]=4 3086 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [0,0,0,0,0,1|2,0,1]=4 3087 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,0,0,0,0,1|1,0,0]=2 3088 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,0,0,0,0,1|1,0,0]=2 3089 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,0,0,0,0,1|2,0,0]=3 3090 B9R0.4 COCCC(=O)CC(F)F 1458a_100000749529_100011934356 [0,0,0,0,0,1|3,0,0]=4 3091 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [0,0,0,0,0,1|2,0,0]=3 3092 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,0,0,0,0,1|2,0,0]=3 3093 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [0,0,0,0,0,1|2,0,0]=3 3094 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,0,0,0,0,1|1,0,0]=2 3095 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,0,0,0,0,1|1,0,0]=2 3096 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,0,0,0,0,1|1,0,0]=2 3097 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,0,0,0,0,1|1,0,0]=2 3098 B9R0.4 COCCN(C)CC(C)C 2230a_100000743101_100000210760 [0,0,0,0,0,1|3,0,0]=4 3099 B9R0.4 COCCN(C)CC(C)C 2230a_100000747067_100011201679 [0,0,0,0,0,1|3,0,0]=4 3100 B9R0.4 COCCN(C)CC(C)C 269982a_100000743101_100000210624 [0,0,0,0,0,1|3,0,0]=4 3101 B9R0.4 COCCN(C)CC(C)C 269982a_100000747067_100000233755 [0,0,0,0,0,1|3,0,0]=4 3102 B9R0.4 COCCN(C)CC(C)C 270004a_100000743101_100000210432 [0,0,0,0,0,1|3,0,0]=4 3103 B9R0.4 COCC[C@@H](N)CC(C)C 34a_100161151251_200000210301 [0,0,0,0,0,1|2,0,1]=4 3104 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,0,0,0,0,1|1,0,1]=3 3105 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,0,0,0,0,1|2,0,1]=4 3106 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,0,0,0,0,1|2,0,1]=4 3107 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,0,0,0,0,1|1,0,0]=2 3108 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,0,0,0,0,1|1,0,0]=2 3109 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,0,0,0,0,1|2,0,0]=3 3110 B9R0.4 CSCCC(=O)CC(F)F 1458a_100000174002_100011934356 [0,0,0,0,0,1|3,0,0]=4 3111 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,0,0,0,0,1|2,0,0]=3 3112 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,0,0,0,0,1|2,0,0]=3 3113 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,0,0,0,0,1|2,0,0]=3 3114 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,0,0,0,0,1|1,0,0]=2 3115 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,0,0,0,0,1|1,0,0]=2 3116 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,0,0,0,0,1|1,0,0]=2 3117 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,0,0,0,0,1|1,0,0]=2 3118 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,0,0,0,0,1|1,0,0]=2 3119 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,0,0,0,0,1|1,0,0]=2 3120 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,0,0,0,0,1|1,0,0]=2 3121 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,0,0,0,0,1|1,0,0]=2 3122 B9R0.4 CSCCN(C)CC(C)C 2230a_100000686725_100000210760 [0,0,0,0,0,1|3,0,0]=4 3123 B9R0.4 CSCCN(C)CC(C)C 2230a_100000747067_100000751147 [0,0,0,0,0,1|3,0,0]=4 3124 B9R0.4 CSCCN(C)CC(C)C 269982a_100000686725_100000210624 [0,0,0,0,0,1|3,0,0]=4 3125 B9R0.4 CSCCN(C)CC(C)C 269982a_100000747067_100000212216 [0,0,0,0,0,1|3,0,0]=4 3126 B9R0.4 CSCCN(C)CC(C)C 270004a_100000686725_100000210432 [0,0,0,0,0,1|3,0,0]=4 3127 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,0,0,0,0,1|2,0,0]=3 3128 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,0,0,0,0,1|2,0,0]=3 3129 B9R0.4 C[C@@H](O)CC(=O)CCC#N 1458a_100011933948_100011215226 [0,0,0,0,0,1|2,0,1]=4 3130 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,0,0,0,0,1|2,0,0]=3 3131 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,0,0,0,0,1|2,0,0]=3 3132 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [0,0,0,0,0,1|3,0,0]=4 3133 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [0,0,0,0,0,1|3,0,0]=4 3134 B9R0.4 C[S+](C)CC(=O)CCC#N 1458a_200159257847_100011215226 [0,0,0,0,0,1|2,0,1]=4 3135 B9R0.4 C[S+](C)CC(=O)CCCF 1458a_200159257847_100011934791 [0,0,0,0,0,1|2,0,0]=3 3136 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [0,0,0,0,0,1|2,0,0]=3 3137 B9R0.4 C[S+](C)CC(=O)NCCF 11a_100000724931_200159257847 [0,0,0,0,0,1|3,0,0]=4 3138 B9R0.4 C[S+](C)CC(=O)NCCF 1626a_100000724931_200159257847 [0,0,0,0,0,1|3,0,0]=4 3139 B9R0.4 C[S+](C)CC(=O)NCCF 240690a_100000724931_200159257847 [0,0,0,0,0,1|3,0,0]=4 3140 B9R0.4 C[S+](C)CC(=O)NCCF 527a_100000724931_200159257847 [0,0,0,0,0,1|3,0,0]=4 3141 B9R0.4 C[S+](C)CC(=O)NCCO 240690a_100000210304_200159257847 [0,0,0,0,0,1|3,0,0]=4 3142 B9R0.4 C[S+](C)CC(=O)NCCO 527a_100000210304_200159257847 [0,0,0,0,0,1|3,0,0]=4 3143 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|0,0,2]=4 3144 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [2,0,0,0,0,0|0,0,2]=4 3145 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [2,0,0,0,0,0|0,0,2]=4 3146 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|0,0,2]=4 3147 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|0,0,2]=4 3148 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|0,0,2]=4 3149 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [2,0,0,0,0,0|0,0,2]=4 3150 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|0,0,2]=4 3151 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [2,0,0,0,0,0|1,0,1]=4 3152 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [2,0,0,0,0,0|1,0,1]=4 3153 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|1,0,0]=3 3154 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|1,0,0]=3 3155 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|1,0,0]=3 3156 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|1,0,0]=3 3157 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|1,0,0]=3 3158 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|1,0,0]=3 3159 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|1,0,0]=3 3160 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|1,0,0]=3 3161 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|1,0,0]=3 3162 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|1,0,0]=3 3163 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|1,0,0]=3 3164 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|1,0,0]=3 3165 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [2,0,0,0,0,0|2,0,0]=4 3166 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|0,0,0]=2 3167 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|0,0,0]=2 3168 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,0]=3 3169 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|1,0,0]=3 3170 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,0]=3 3171 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 3172 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 3173 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 3174 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [2,0,0,0,0,0|2,0,0]=4 3175 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [2,0,0,0,0,0|2,0,0]=4 3176 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [2,0,0,0,0,0|2,0,0]=4 3177 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [2,0,0,0,0,0|2,0,0]=4 3178 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [2,0,0,0,0,0|2,0,0]=4 3179 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [2,0,0,0,0,0|2,0,0]=4 3180 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [2,0,0,0,0,0|2,0,0]=4 3181 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [2,0,0,0,0,0|2,0,0]=4 3182 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 3183 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 3184 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 3185 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [2,0,0,0,0,0|2,0,0]=4 3186 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [2,0,0,0,0,0|2,0,0]=4 3187 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 3188 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 3189 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 3190 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 3191 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 3192 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 3193 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|2,0,0]=4 3194 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [2,0,0,0,0,0|2,0,0]=4 3195 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|2,0,0]=4 3196 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 3197 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 3198 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|2,0,0]=4 3199 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|2,0,0]=4 3200 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 3201 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|2,0,0]=4 3202 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|2,0,0]=4 3203 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 3204 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 3205 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 3206 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|2,0,0]=4 3207 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|2,0,0]=4 3208 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|2,0,0]=4 3209 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|2,0,0]=4 3210 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [2,0,0,0,0,0|2,0,0]=4 3211 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 3212 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [2,0,0,0,0,0|2,0,0]=4 3213 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 3214 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|2,0,0]=4 3215 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|2,0,0]=4 3216 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|2,0,0]=4 3217 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|2,0,0]=4 3218 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|2,0,0]=4 3219 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|2,0,0]=4 3220 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|2,0,0]=4 3221 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [2,0,0,0,0,0|2,0,0]=4 3222 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|2,0,0]=4 3223 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [2,0,0,0,0,0|2,0,0]=4 3224 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [2,0,0,0,0,0|2,0,0]=4 3225 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [2,0,0,0,0,0|2,0,0]=4 3226 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|2,0,0]=4 3227 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|0,0,2]=4 3228 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|0,0,2]=4 3229 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|0,0,2]=4 3230 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,2]=4 3231 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 3232 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|2,0,0]=4 3233 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 3234 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|2,0,0]=4 3235 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|2,0,0]=4 3236 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|2,0,0]=4 3237 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|2,0,0]=4 3238 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|2,0,0]=4 3239 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|2,0,0]=4 3240 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|2,0,0]=4 3241 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [2,0,0,0,0,0|2,0,0]=4 3242 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|2,0,0]=4 3243 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|2,0,0]=4 3244 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|2,0,0]=4 3245 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|2,0,0]=4 3246 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|0,0,2]=4 3247 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|0,0,2]=4 3248 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|0,0,2]=4 3249 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [2,0,0,0,0,0|0,0,2]=4 3250 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [2,0,0,0,0,0|1,0,1]=4 3251 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [2,0,0,0,0,0|1,0,1]=4 3252 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [2,0,0,0,0,0|1,0,1]=4 3253 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [2,0,0,0,0,0|1,0,1]=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(Br)CCO[13CH3] 34a_100009893172_200025704644 [2,0,0,0,0,0|2,0,0]=4 3272 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [2,0,0,0,0,0|1,0,0]=3 3273 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [2,0,0,0,0,0|1,0,0]=3 3274 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [2,0,0,0,0,0|1,0,0]=3 3275 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [2,0,0,0,0,0|1,0,0]=3 3276 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [2,0,0,0,0,0|2,0,0]=4 3277 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [2,0,0,0,0,0|2,0,0]=4 3278 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [2,0,0,0,0,0|2,0,0]=4 3279 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [2,0,0,0,0,0|2,0,0]=4 3280 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [2,0,0,0,0,0|2,0,0]=4 3281 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [2,0,0,0,0,0|2,0,0]=4 3282 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [2,0,0,0,0,0|2,0,0]=4 3283 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [2,0,0,0,0,0|2,0,0]=4 3284 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [2,0,0,0,0,0|2,0,0]=4 3285 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [2,0,0,0,0,0|2,0,0]=4 3286 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [2,0,0,0,0,0|2,0,0]=4 3287 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [2,0,0,0,0,0|2,0,0]=4 3288 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [2,0,0,0,0,0|2,0,0]=4 3289 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [2,0,0,0,0,0|2,0,0]=4 3290 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [2,0,0,0,0,0|2,0,0]=4 3291 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [2,0,0,0,0,0|2,0,0]=4 3292 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [2,0,0,0,0,0|2,0,0]=4 3293 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [2,0,0,0,0,0|2,0,0]=4 3294 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [2,0,0,0,0,0|2,0,0]=4 3295 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [2,0,0,0,0,0|2,0,0]=4 3296 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [2,0,0,0,0,0|2,0,0]=4 3297 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [2,0,0,0,0,0|2,0,0]=4 3298 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [2,0,0,0,0,0|2,0,0]=4 3299 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [2,0,0,0,0,0|2,0,0]=4 3300 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,2]=4 3301 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,2]=4 3302 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,2]=4 3303 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [2,0,0,0,0,0|0,0,2]=4 3304 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [2,0,0,0,0,0|0,0,2]=4 3305 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|0,0,2]=4 3306 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|0,0,2]=4 3307 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,0]=2 3308 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,0]=2 3309 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,0]=2 3310 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|1,0,0]=3 3311 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|1,0,0]=3 3312 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|1,0,0]=3 3313 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|1,0,0]=3 3314 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|1,0,0]=3 3315 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|1,0,0]=3 3316 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 3317 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 3318 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 3319 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,0]=3 3320 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [2,0,0,0,0,0|1,0,0]=3 3321 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [2,0,0,0,0,0|1,0,0]=3 3322 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [2,0,0,0,0,0|1,0,0]=3 3323 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [2,0,0,0,0,0|1,0,0]=3 3324 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [2,0,0,0,0,0|1,0,0]=3 3325 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [2,0,0,0,0,0|1,0,0]=3 3326 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 3327 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 3328 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|2,0,0]=4 3329 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [2,0,0,0,0,0|1,0,0]=3 3330 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [2,0,0,0,0,0|1,0,0]=3 3331 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [2,0,0,0,0,0|1,0,0]=3 3332 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [2,0,0,0,0,0|1,0,0]=3 3333 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [2,0,0,0,0,0|2,0,0]=4 3334 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [2,0,0,0,0,0|2,0,0]=4 3335 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [2,0,0,0,0,0|2,0,0]=4 3336 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [2,0,0,0,0,0|2,0,0]=4 3337 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 3338 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,0]=3 3339 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,0]=3 3340 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 3341 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,0]=3 3342 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|2,0,0]=4 3343 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [2,0,0,0,0,0|2,0,0]=4 3344 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [2,0,0,0,0,0|1,0,0]=3 3345 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [2,0,0,0,0,0|1,0,0]=3 3346 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [2,0,0,0,0,0|2,0,0]=4 3347 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [2,0,0,0,0,0|2,0,0]=4 3348 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [2,0,0,0,0,0|2,0,0]=4 3349 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [2,0,0,0,0,0|2,0,0]=4 3350 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [2,0,0,0,0,0|2,0,0]=4 3351 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [2,0,0,0,0,0|2,0,0]=4 3352 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,0]=3 3353 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 3354 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 3355 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,0]=3 3356 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|2,0,0]=4 3357 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|2,0,0]=4 3358 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [2,0,0,0,0,0|1,0,0]=3 3359 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [2,0,0,0,0,0|1,0,0]=3 3360 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [2,0,0,0,0,0|2,0,0]=4 3361 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [2,0,0,0,0,0|2,0,0]=4 3362 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [2,0,0,0,0,0|2,0,0]=4 3363 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [2,0,0,0,0,0|2,0,0]=4 3364 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [2,0,0,0,0,0|2,0,0]=4 3365 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [2,0,0,0,0,0|2,0,0]=4 3366 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [2,0,0,0,0,0|2,0,0]=4 3367 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [2,0,0,0,0,0|2,0,0]=4 3368 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [2,0,0,0,0,0|2,0,0]=4 3369 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [2,0,0,0,0,0|2,0,0]=4 3370 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [2,0,0,0,0,0|2,0,0]=4 3371 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [2,0,0,0,0,0|2,0,0]=4 3372 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [2,0,0,0,0,0|2,0,0]=4 3373 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [2,0,0,0,0,0|1,0,1]=4 3374 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [2,0,0,0,0,0|1,0,1]=4 3375 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [2,0,0,0,0,0|1,0,1]=4 3376 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [2,0,0,0,0,0|1,0,1]=4 3377 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,0]=3 3378 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 3379 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 3380 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 3381 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [2,0,0,0,0,0|1,0,0]=3 3382 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [2,0,0,0,0,0|1,0,0]=3 3383 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [2,0,0,0,0,0|1,0,0]=3 3384 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [2,0,0,0,0,0|1,0,0]=3 3385 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [2,0,0,0,0,0|2,0,0]=4 3386 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [2,0,0,0,0,0|2,0,0]=4 3387 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [2,0,0,0,0,0|2,0,0]=4 3388 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [2,0,0,0,0,0|2,0,0]=4 3389 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [2,0,0,0,0,0|2,0,0]=4 3390 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|2,0,0]=4 3391 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [2,0,0,0,0,0|2,0,0]=4 3392 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [2,0,0,0,0,0|2,0,0]=4 3393 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [2,0,0,0,0,0|1,0,1]=4 3394 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [2,0,0,0,0,0|1,0,1]=4 3395 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,0]=3 3396 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,0]=3 3397 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 3398 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 3399 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 3400 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 3401 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 3402 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,0]=3 3403 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [2,0,0,0,0,0|2,0,0]=4 3404 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [2,0,0,0,0,0|1,0,0]=3 3405 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [2,0,0,0,0,0|1,0,0]=3 3406 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [2,0,0,0,0,0|1,0,0]=3 3407 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [2,0,0,0,0,0|2,0,0]=4 3408 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [2,0,0,0,0,0|2,0,0]=4 3409 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [2,0,0,0,0,0|2,0,0]=4 3410 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [2,0,0,0,0,0|2,0,0]=4 3411 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [2,0,0,0,0,0|2,0,0]=4 3412 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [2,0,0,0,0,0|2,0,0]=4 3413 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [2,0,0,0,0,0|2,0,0]=4 3414 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [2,0,0,0,0,0|2,0,0]=4 3415 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [2,0,0,0,0,0|2,0,0]=4 3416 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|2,0,0]=4 3417 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [2,0,0,0,0,0|2,0,0]=4 3418 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [2,0,0,0,0,0|2,0,0]=4 3419 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [2,0,0,0,0,0|2,0,0]=4 3420 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [2,0,0,0,0,0|1,0,1]=4 3421 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [2,0,0,0,0,0|1,0,1]=4 3422 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|1,0,0]=3 3423 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|1,0,0]=3 3424 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|1,0,0]=3 3425 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|1,0,0]=3 3426 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 3427 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 3428 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|1,0,0]=3 3429 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [2,0,0,0,0,0|1,0,0]=3 3430 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [2,0,0,0,0,0|1,0,0]=3 3431 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [2,0,0,0,0,0|2,0,0]=4 3432 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [2,0,0,0,0,0|2,0,0]=4 3433 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [2,0,0,0,0,0|2,0,0]=4 3434 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [2,0,0,0,0,0|2,0,0]=4 3435 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [2,0,0,0,0,0|2,0,0]=4 3436 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [2,0,0,0,0,0|2,0,0]=4 3437 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [2,0,0,0,0,0|2,0,0]=4 3438 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [2,0,0,0,0,0|2,0,0]=4 3439 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [2,0,0,0,0,0|2,0,0]=4 3440 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [2,0,0,0,0,0|2,0,0]=4 3441 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [2,0,0,0,0,0|2,0,0]=4 3442 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|2,0,0]=4 3443 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|2,0,0]=4 3444 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [2,0,0,0,0,0|2,0,0]=4 3445 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [2,0,0,0,0,0|2,0,0]=4 3446 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [2,0,0,0,0,0|2,0,0]=4 3447 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [2,0,0,0,0,0|2,0,0]=4 3448 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [2,0,0,0,0,0|2,0,0]=4 3449 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [2,0,0,0,0,0|2,0,0]=4 3450 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|1,0,1]=4 3451 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 3452 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 3453 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 3454 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 3455 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|1,0,1]=4 3456 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|1,0,1]=4 3457 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|1,0,1]=4 3458 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|1,0,1]=4 3459 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|1,0,1]=4 3460 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|1,0,1]=4 3461 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 3462 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [2,0,0,0,0,0|1,0,1]=4 3463 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 3464 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|1,0,1]=4 3465 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|1,0,1]=4 3466 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|1,0,1]=4 3467 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [2,0,0,0,0,0|1,0,1]=4 3468 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [2,0,0,0,0,0|1,0,1]=4 3469 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [2,0,0,0,0,0|1,0,1]=4 3470 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [2,0,0,0,0,0|1,0,1]=4 3471 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|1,0,1]=4 3472 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|1,0,1]=4 3473 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|1,0,1]=4 3474 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|1,0,1]=4 3475 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [2,0,0,0,0,0|2,0,0]=4 3476 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,1]=4 3477 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 3478 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,1]=4 3479 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 3480 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,1]=4 3481 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 3482 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,1]=4 3483 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 3484 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 3485 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 3486 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,1]=4 3487 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,1]=4 3488 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,1]=4 3489 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,1]=4 3490 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,0]=3 3491 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,0]=3 3492 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,0]=3 3493 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [2,0,0,0,0,0|2,0,0]=4 3494 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 3495 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,0]=3 3496 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 3497 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 3498 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 3499 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,0]=3 3500 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,0]=3 3501 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [2,0,0,0,0,0|2,0,0]=4 3502 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [2,0,0,0,0,0|2,0,0]=4 3503 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|1,0,1]=4 3504 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|1,0,1]=4 3505 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 3506 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [2,0,0,0,0,0|2,0,0]=4 3507 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 3508 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|2,0,0]=4 3509 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [2,0,0,0,0,0|2,0,0]=4 3510 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [2,0,0,0,0,0|2,0,0]=4 3511 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [2,0,0,0,0,0|2,0,0]=4 3512 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [2,0,0,0,0,0|2,0,0]=4 3513 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|2,0,0]=4 3514 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|2,0,0]=4 3515 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|2,0,0]=4 3516 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|2,0,0]=4 3517 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|2,0,0]=4 3518 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|2,0,0]=4 3519 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 3520 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 3521 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|2,0,0]=4 3522 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 3523 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 3524 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 3525 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 3526 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 3527 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|2,0,0]=4 3528 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|2,0,0]=4 3529 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|2,0,0]=4 3530 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 3531 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 3532 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 3533 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 3534 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|2,0,0]=4 3535 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|2,0,0]=4 3536 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|2,0,0]=4 3537 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 3538 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|2,0,0]=4 3539 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|2,0,0]=4 3540 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [2,0,0,0,0,0|2,0,0]=4 3541 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [2,0,0,0,0,0|2,0,0]=4 3542 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [2,0,0,0,0,0|2,0,0]=4 3543 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [2,0,0,0,0,0|2,0,0]=4 3544 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|2,0,0]=4 3545 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|2,0,0]=4 3546 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [2,0,0,0,0,0|2,0,0]=4 3547 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 3548 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [2,0,0,0,0,0|2,0,0]=4 3549 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 3550 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [2,0,0,0,0,0|2,0,0]=4 3551 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 3552 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [2,0,0,0,0,0|2,0,0]=4 3553 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [2,0,0,0,0,0|2,0,0]=4 3554 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [2,0,0,0,0,0|2,0,0]=4 3555 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 3556 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 3557 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 3558 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [2,0,0,0,0,0|2,0,0]=4 3559 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [2,0,0,0,0,0|2,0,0]=4 3560 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [2,0,0,0,0,0|2,0,0]=4 3561 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [2,0,0,0,0,0|2,0,0]=4 3562 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [2,0,0,0,0,0|2,0,0]=4 3563 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [2,0,0,0,0,0|2,0,0]=4 3564 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [2,0,0,0,0,0|0,0,2]=4 3565 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [2,0,0,0,0,0|0,0,2]=4 3566 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [2,0,0,0,0,0|0,0,2]=4 3567 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [2,0,0,0,0,0|1,0,0]=3 3568 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [2,0,0,0,0,0|1,0,0]=3 3569 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [2,0,0,0,0,0|2,0,0]=4 3570 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [2,0,0,0,0,0|0,0,0]=2 3571 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [2,0,0,0,0,0|0,0,0]=2 3572 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [2,0,0,0,0,0|1,0,0]=3 3573 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [2,0,0,0,0,0|2,0,0]=4 3574 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [2,0,0,0,0,0|1,0,0]=3 3575 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [2,0,0,0,0,0|1,0,0]=3 3576 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [2,0,0,0,0,0|1,0,0]=3 3577 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [2,0,0,0,0,0|1,0,0]=3 3578 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [2,0,0,0,0,0|1,0,0]=3 3579 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [2,0,0,0,0,0|1,0,0]=3 3580 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [2,0,0,0,0,0|2,0,0]=4 3581 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [2,0,0,0,0,0|2,0,0]=4 3582 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [2,0,0,0,0,0|2,0,0]=4 3583 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [2,0,0,0,0,0|2,0,0]=4 3584 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [2,0,0,0,0,0|2,0,0]=4 3585 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [2,0,0,0,0,0|2,0,0]=4 3586 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [2,0,0,0,0,0|2,0,0]=4 3587 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [2,0,0,0,0,0|2,0,0]=4 3588 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [2,0,0,0,0,0|2,0,0]=4 3589 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [2,0,0,0,0,0|1,0,0]=3 3590 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [2,0,0,0,0,0|1,0,0]=3 3591 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [2,0,0,0,0,0|1,0,0]=3 3592 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [2,0,0,0,0,0|1,0,0]=3 3593 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [2,0,0,0,0,0|2,0,0]=4 3594 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [2,0,0,0,0,0|2,0,0]=4 3595 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [2,0,0,0,0,0|2,0,0]=4 3596 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [2,0,0,0,0,0|2,0,0]=4 3597 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [2,0,0,0,0,0|2,0,0]=4 3598 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [2,0,0,0,0,0|2,0,0]=4 3599 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [2,0,0,0,0,0|2,0,0]=4 3600 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [2,0,0,0,0,0|2,0,0]=4 3601 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [2,0,0,0,0,0|2,0,0]=4 3602 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [2,0,0,0,0,0|2,0,0]=4 3603 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [1,1,0,0,0,0|0,0,1]=3 3604 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [1,1,0,0,0,0|0,0,1]=3 3605 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [1,1,0,0,0,0|1,0,1]=4 3606 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [1,1,0,0,0,0|1,0,1]=4 3607 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [1,1,0,0,0,0|1,0,1]=4 3608 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [1,1,0,0,0,0|1,0,1]=4 3609 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [1,1,0,0,0,0|1,0,1]=4 3610 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [1,1,0,0,0,0|1,0,1]=4 3611 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [1,1,0,0,0,0|1,0,1]=4 3612 B8R0.1 C#CCC(=O)CSCC 1458a_100000230394_100000184674 [1,1,0,0,0,0|1,0,1]=4 3613 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [1,1,0,0,0,0|1,0,1]=4 3614 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [1,1,0,0,0,0|1,0,1]=4 3615 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [1,1,0,0,0,0|0,0,2]=4 3616 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [1,1,0,0,0,0|0,0,2]=4 3617 B8R0.1 C#CCCC(=O)CCF 1458a_100000692101_100011217306 [1,1,0,0,0,0|0,0,2]=4 3618 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [1,1,0,0,0,0|0,0,2]=4 3619 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [1,1,0,0,0,0|0,0,2]=4 3620 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [1,1,0,0,0,0|0,0,2]=4 3621 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [1,1,0,0,0,0|0,0,2]=4 3622 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [1,1,0,0,0,0|0,0,2]=4 3623 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [1,1,0,0,0,0|0,0,2]=4 3624 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [1,1,0,0,0,0|0,0,2]=4 3625 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,1,0,0,0,0|0,0,2]=4 3626 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [1,1,0,0,0,0|0,0,2]=4 3627 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [1,1,0,0,0,0|0,0,2]=4 3628 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [1,1,0,0,0,0|0,0,2]=4 3629 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,1,0,0,0,0|0,0,1]=3 3630 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,1,0,0,0,0|0,0,1]=3 3631 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [1,1,0,0,0,0|1,0,1]=4 3632 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [1,1,0,0,0,0|1,0,1]=4 3633 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [1,1,0,0,0,0|1,0,1]=4 3634 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [1,1,0,0,0,0|1,0,1]=4 3635 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [1,1,0,0,0,0|1,0,1]=4 3636 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [1,1,0,0,0,0|1,0,1]=4 3637 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [1,1,0,0,0,0|1,0,1]=4 3638 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [1,1,0,0,0,0|1,0,1]=4 3639 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 3640 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 3641 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 3642 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 3643 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,1,0,0,0,0|0,0,2]=4 3644 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,1,0,0,0,0|0,0,2]=4 3645 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [1,1,0,0,0,0|0,0,2]=4 3646 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [1,1,0,0,0,0|0,0,2]=4 3647 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [1,1,0,0,0,0|0,0,2]=4 3648 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [1,1,0,0,0,0|0,0,2]=4 3649 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [1,1,0,0,0,0|0,0,2]=4 3650 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [1,1,0,0,0,0|0,0,2]=4 3651 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [1,1,0,0,0,0|0,0,2]=4 3652 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [1,1,0,0,0,0|0,0,2]=4 3653 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,1,0,0,0,0|0,0,1]=3 3654 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [1,1,0,0,0,0|1,0,1]=4 3655 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [1,1,0,0,0,0|1,0,1]=4 3656 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [1,1,0,0,0,0|1,0,1]=4 3657 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [1,1,0,0,0,0|1,0,1]=4 3658 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [1,1,0,0,0,0|0,0,2]=4 3659 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [1,1,0,0,0,0|0,0,2]=4 3660 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [1,1,0,0,0,0|0,0,2]=4 3661 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [1,1,0,0,0,0|0,0,2]=4 3662 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|0,0,1]=3 3663 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [1,1,0,0,0,0|1,0,1]=4 3664 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [1,1,0,0,0,0|1,0,1]=4 3665 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [1,1,0,0,0,0|1,0,1]=4 3666 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,1,0,0,0,0|1,0,1]=4 3667 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 3668 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 3669 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 3670 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,1,0,0,0,0|0,0,2]=4 3671 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,1,0,0,0,0|0,0,2]=4 3672 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [1,1,0,0,0,0|0,0,2]=4 3673 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [1,1,0,0,0,0|0,0,2]=4 3674 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [1,1,0,0,0,0|0,0,2]=4 3675 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [1,1,0,0,0,0|0,0,2]=4 3676 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [1,1,0,0,0,0|0,0,2]=4 3677 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [1,1,0,0,0,0|0,0,2]=4 3678 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [1,1,0,0,0,0|0,0,2]=4 3679 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [1,1,0,0,0,0|0,0,2]=4 3680 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [1,1,0,0,0,0|0,0,2]=4 3681 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [1,1,0,0,0,0|0,0,2]=4 3682 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [1,1,0,0,0,0|0,0,2]=4 3683 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,1,0,0,0,0|0,0,2]=4 3684 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [1,1,0,0,0,0|0,0,2]=4 3685 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [1,1,0,0,0,0|0,0,2]=4 3686 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [1,1,0,0,0,0|0,0,2]=4 3687 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [1,1,0,0,0,0|0,0,2]=4 3688 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [1,1,0,0,0,0|1,0,1]=4 3689 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [1,1,0,0,0,0|1,0,1]=4 3690 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,1,0,0,0,0|1,0,0]=3 3691 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,1,0,0,0,0|1,0,0]=3 3692 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,1,0,0,0,0|1,0,0]=3 3693 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,1,0,0,0,0|1,0,0]=3 3694 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,1,0,0,0,0|1,0,0]=3 3695 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,1,0,0,0,0|1,0,0]=3 3696 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,1,0,0,0,0|1,0,0]=3 3697 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,1,0,0,0,0|1,0,0]=3 3698 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,1,0,0,0,0|1,0,0]=3 3699 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,1,0,0,0,0|1,0,0]=3 3700 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,1,0,0,0,0|1,0,0]=3 3701 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [1,1,0,0,0,0|2,0,0]=4 3702 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [1,1,0,0,0,0|2,0,0]=4 3703 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [1,1,0,0,0,0|2,0,0]=4 3704 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [1,1,0,0,0,0|2,0,0]=4 3705 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [1,1,0,0,0,0|2,0,0]=4 3706 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [1,1,0,0,0,0|2,0,0]=4 3707 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [1,1,0,0,0,0|2,0,0]=4 3708 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [1,1,0,0,0,0|2,0,0]=4 3709 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [1,1,0,0,0,0|2,0,0]=4 3710 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [1,1,0,0,0,0|2,0,0]=4 3711 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [1,1,0,0,0,0|2,0,0]=4 3712 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [1,1,0,0,0,0|2,0,0]=4 3713 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [1,1,0,0,0,0|2,0,0]=4 3714 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [1,1,0,0,0,0|2,0,0]=4 3715 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [1,1,0,0,0,0|0,0,2]=4 3716 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [1,1,0,0,0,0|0,0,2]=4 3717 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [1,1,0,0,0,0|0,0,2]=4 3718 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [1,1,0,0,0,0|0,0,1]=3 3719 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [1,1,0,0,0,0|0,0,1]=3 3720 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|0,0,0]=2 3721 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|0,0,0]=2 3722 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,1,0,0,0,0|0,0,0]=2 3723 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|0,0,0]=2 3724 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|0,0,0]=2 3725 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|0,0,0]=2 3726 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,1,0,0,0,0|0,0,0]=2 3727 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,1,0,0,0,0|0,0,0]=2 3728 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,1,0,0,0,0|0,0,0]=2 3729 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,1,0,0,0,0|0,0,0]=2 3730 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,1,0,0,0,0|1,0,0]=3 3731 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 3732 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 3733 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 3734 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 3735 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,1,0,0,0,0|1,0,1]=4 3736 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,1,0,0,0,0|1,0,1]=4 3737 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,1,0,0,0,0|1,0,1]=4 3738 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 3739 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,1,0,0,0,0|1,0,1]=4 3740 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 3741 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,1,0,0,0,0|1,0,1]=4 3742 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,1,0,0,0,0|1,0,1]=4 3743 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [1,1,0,0,0,0|2,0,0]=4 3744 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [1,1,0,0,0,0|2,0,0]=4 3745 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [1,1,0,0,0,0|2,0,0]=4 3746 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [1,1,0,0,0,0|2,0,0]=4 3747 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [1,1,0,0,0,0|2,0,0]=4 3748 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [1,1,0,0,0,0|2,0,0]=4 3749 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [1,1,0,0,0,0|2,0,0]=4 3750 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [1,1,0,0,0,0|2,0,0]=4 3751 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [1,1,0,0,0,0|2,0,0]=4 3752 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [1,1,0,0,0,0|2,0,0]=4 3753 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [1,1,0,0,0,0|2,0,0]=4 3754 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [1,1,0,0,0,0|2,0,0]=4 3755 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [1,1,0,0,0,0|2,0,0]=4 3756 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [1,1,0,0,0,0|2,0,0]=4 3757 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [1,1,0,0,0,0|2,0,0]=4 3758 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [1,1,0,0,0,0|2,0,0]=4 3759 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [1,1,0,0,0,0|2,0,0]=4 3760 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [1,1,0,0,0,0|2,0,0]=4 3761 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [1,1,0,0,0,0|2,0,0]=4 3762 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [1,1,0,0,0,0|2,0,0]=4 3763 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [1,1,0,0,0,0|2,0,0]=4 3764 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [1,1,0,0,0,0|2,0,0]=4 3765 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,1]=4 3766 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,1]=4 3767 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [1,1,0,0,0,0|1,0,1]=4 3768 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [1,1,0,0,0,0|1,0,1]=4 3769 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 3770 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 3771 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 3772 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 3773 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [1,1,0,0,0,0|1,0,0]=3 3774 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [1,1,0,0,0,0|1,0,0]=3 3775 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [1,1,0,0,0,0|1,0,0]=3 3776 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [1,1,0,0,0,0|1,0,0]=3 3777 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [1,1,0,0,0,0|1,0,0]=3 3778 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [1,1,0,0,0,0|1,0,0]=3 3779 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,1,0,0,0,0|1,0,0]=3 3780 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,1,0,0,0,0|1,0,0]=3 3781 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,1,0,0,0,0|1,0,0]=3 3782 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,1,0,0,0,0|1,0,0]=3 3783 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,1,0,0,0,0|1,0,0]=3 3784 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [1,1,0,0,0,0|1,0,0]=3 3785 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [1,1,0,0,0,0|1,0,0]=3 3786 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [1,1,0,0,0,0|1,0,0]=3 3787 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [1,1,0,0,0,0|1,0,0]=3 3788 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [1,1,0,0,0,0|1,0,0]=3 3789 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [1,1,0,0,0,0|1,0,0]=3 3790 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [1,1,0,0,0,0|1,0,0]=3 3791 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [1,1,0,0,0,0|1,0,0]=3 3792 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,1,0,0,0,0|1,0,0]=3 3793 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,1,0,0,0,0|1,0,0]=3 3794 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,1,0,0,0,0|1,0,0]=3 3795 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,1,0,0,0,0|1,0,0]=3 3796 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,1,0,0,0,0|1,0,0]=3 3797 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,1,0,0,0,0|1,0,0]=3 3798 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [1,1,0,0,0,0|2,0,0]=4 3799 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [1,1,0,0,0,0|2,0,0]=4 3800 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [1,1,0,0,0,0|2,0,0]=4 3801 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [1,1,0,0,0,0|1,0,0]=3 3802 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [1,1,0,0,0,0|1,0,0]=3 3803 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [1,1,0,0,0,0|1,0,0]=3 3804 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,1,0,0,0,0|1,0,0]=3 3805 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [1,1,0,0,0,0|1,0,0]=3 3806 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [1,1,0,0,0,0|1,0,0]=3 3807 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [1,1,0,0,0,0|1,0,0]=3 3808 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [1,1,0,0,0,0|1,0,0]=3 3809 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [1,1,0,0,0,0|1,0,1]=4 3810 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [1,1,0,0,0,0|1,0,1]=4 3811 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [1,1,0,0,0,0|1,0,1]=4 3812 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,1,0,0,0,0|1,0,0]=3 3813 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,1,0,0,0,0|1,0,0]=3 3814 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,1,0,0,0,0|1,0,0]=3 3815 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,1,0,0,0,0|1,0,0]=3 3816 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,1,0,0,0,0|1,0,0]=3 3817 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,1,0,0,0,0|1,0,0]=3 3818 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,1,0,0,0,0|1,0,0]=3 3819 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,1,0,0,0,0|1,0,0]=3 3820 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,1,0,0,0,0|1,0,0]=3 3821 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,1,0,0,0,0|1,0,0]=3 3822 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,1,0,0,0,0|1,0,0]=3 3823 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,1,0,0,0,0|1,0,0]=3 3824 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,1,0,0,0,0|1,0,0]=3 3825 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,1,0,0,0,0|1,0,0]=3 3826 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [1,1,0,0,0,0|1,0,0]=3 3827 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [1,1,0,0,0,0|1,0,0]=3 3828 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [1,1,0,0,0,0|1,0,0]=3 3829 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [1,1,0,0,0,0|1,0,0]=3 3830 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [1,1,0,0,0,0|1,0,0]=3 3831 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [1,1,0,0,0,0|1,0,0]=3 3832 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [1,1,0,0,0,0|1,0,0]=3 3833 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [1,1,0,0,0,0|1,0,0]=3 3834 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [1,1,0,0,0,0|1,0,0]=3 3835 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [1,1,0,0,0,0|2,0,0]=4 3836 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [1,1,0,0,0,0|2,0,0]=4 3837 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [1,1,0,0,0,0|2,0,0]=4 3838 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [1,1,0,0,0,0|2,0,0]=4 3839 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [1,1,0,0,0,0|2,0,0]=4 3840 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [1,1,0,0,0,0|2,0,0]=4 3841 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [1,1,0,0,0,0|2,0,0]=4 3842 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [1,1,0,0,0,0|2,0,0]=4 3843 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [1,1,0,0,0,0|2,0,0]=4 3844 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [1,1,0,0,0,0|2,0,0]=4 3845 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,1,0,0,0,0|1,0,0]=3 3846 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,1,0,0,0,0|1,0,0]=3 3847 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [1,1,0,0,0,0|2,0,0]=4 3848 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,1,0,0,0,0|1,0,0]=3 3849 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [1,1,0,0,0,0|2,0,0]=4 3850 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [1,1,0,0,0,0|2,0,0]=4 3851 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [1,1,0,0,0,0|2,0,0]=4 3852 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [1,1,0,0,0,0|2,0,0]=4 3853 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [1,1,0,0,0,0|2,0,0]=4 3854 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [1,1,0,0,0,0|2,0,0]=4 3855 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,1,0,0,0,0|1,0,0]=3 3856 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,1,0,0,0,0|1,0,0]=3 3857 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,1,0,0,0,0|1,0,0]=3 3858 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,1,0,0,0,0|1,0,0]=3 3859 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,1,0,0,0,0|1,0,0]=3 3860 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,1,0,0,0,0|1,0,0]=3 3861 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,1,0,0,0,0|1,0,0]=3 3862 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,1,0,0,0,0|1,0,0]=3 3863 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,1,0,0,0,0|1,0,0]=3 3864 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,1,0,0,0,0|1,0,0]=3 3865 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [1,1,0,0,0,0|2,0,0]=4 3866 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [1,1,0,0,0,0|2,0,0]=4 3867 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,1,0,0,0,0|2,0,0]=4 3868 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,1,0,0,0,0|2,0,0]=4 3869 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [1,1,0,0,0,0|1,0,1]=4 3870 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [1,1,0,0,0,0|1,0,0]=3 3871 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,1,0,0,0,0|1,0,0]=3 3872 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [1,1,0,0,0,0|2,0,0]=4 3873 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [1,1,0,0,0,0|2,0,0]=4 3874 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,1,0,0,0,0|1,0,0]=3 3875 B8R0.1 CCSCC(=O)CC#N 1458a_100000230394_100011214920 [1,1,0,0,0,0|1,0,1]=4 3876 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [1,1,0,0,0,0|1,0,0]=3 3877 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [1,1,0,0,0,0|1,0,0]=3 3878 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [1,1,0,0,0,0|2,0,0]=4 3879 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [1,1,0,0,0,0|2,0,0]=4 3880 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [1,1,0,0,0,0|2,0,0]=4 3881 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [1,1,0,0,0,0|2,0,0]=4 3882 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [1,1,0,0,0,0|2,0,0]=4 3883 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [1,1,0,0,0,0|2,0,0]=4 3884 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [1,1,0,0,0,0|1,0,1]=4 3885 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,1,0,0,0,0|1,0,0]=3 3886 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,1,0,0,0,0|1,0,0]=3 3887 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,1,0,0,0,0|1,0,0]=3 3888 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 3889 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 3890 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 3891 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 3892 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [1,1,0,0,0,0|2,0,0]=4 3893 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [1,1,0,0,0,0|2,0,0]=4 3894 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [1,1,0,0,0,0|1,0,1]=4 3895 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [1,1,0,0,0,0|1,0,1]=4 3896 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [1,1,0,0,0,0|1,0,0]=3 3897 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,1,0,0,0,0|1,0,0]=3 3898 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,1,0,0,0,0|1,0,0]=3 3899 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,1,0,0,0,0|1,0,0]=3 3900 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,1,0,0,0,0|1,0,0]=3 3901 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [1,1,0,0,0,0|1,0,1]=4 3902 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [1,1,0,0,0,0|1,0,0]=3 3903 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,1,0,0,0,0|1,0,0]=3 3904 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 3905 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 3906 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 3907 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 3908 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [1,1,0,0,0,0|2,0,0]=4 3909 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [1,1,0,0,0,0|2,0,0]=4 3910 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [1,1,0,0,0,0|1,0,1]=4 3911 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [1,1,0,0,0,0|1,0,1]=4 3912 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [1,1,0,0,0,0|1,0,0]=3 3913 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,1,0,0,0,0|1,0,0]=3 3914 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,1,0,0,0,0|1,0,0]=3 3915 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [1,1,0,0,0,0|1,0,0]=3 3916 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [1,1,0,0,0,0|1,0,1]=4 3917 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [1,1,0,0,0,0|1,0,1]=4 3918 B8R0.1 N#CCCC(=O)CCF 1458a_100011934036_100011217306 [1,1,0,0,0,0|1,0,1]=4 3919 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [1,1,0,0,0,0|1,0,1]=4 3920 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [1,1,0,0,0,0|1,0,1]=4 3921 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,1,0,0,0,0|1,0,0]=3 3922 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,1,0,0,0,0|1,0,0]=3 3923 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [1,1,0,0,0,0|2,0,0]=4 3924 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [1,1,0,0,0,0|2,0,0]=4 3925 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [1,1,0,0,0,0|2,0,0]=4 3926 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [1,1,0,0,0,0|0,0,2]=4 3927 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [1,1,0,0,0,0|0,0,2]=4 3928 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [1,1,0,0,0,0|0,0,2]=4 3929 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [1,1,0,0,0,0|2,0,0]=4 3930 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [1,1,0,0,0,0|0,0,2]=4 3931 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [1,1,0,0,0,0|1,0,1]=4 3932 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,1,0,0,0,0|1,0,0]=3 3933 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [1,1,0,0,0,0|1,0,0]=3 3934 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [1,1,0,0,0,0|1,0,0]=3 3935 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,1,0,0,0,0|1,0,0]=3 3936 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [1,1,0,0,0,0|2,0,0]=4 3937 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [1,1,0,0,0,0|2,0,0]=4 3938 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [1,1,0,0,0,0|2,0,0]=4 3939 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [1,1,0,0,0,0|2,0,0]=4 3940 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,1,0,0,0,0|1,0,1]=4 3941 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|0,0,0]=2 3942 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|0,0,0]=2 3943 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,1,0,0,0,0|1,0,0]=3 3944 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|1,0,0]=3 3945 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,1,0,0,0,0|1,0,0]=3 3946 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 3947 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 3948 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 3949 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [1,1,0,0,0,0|2,0,0]=4 3950 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [1,1,0,0,0,0|2,0,0]=4 3951 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 3952 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 3953 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 3954 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 3955 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 3956 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 3957 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 3958 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 3959 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|0,0,0]=2 3960 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,1,0,0,0,0|1,0,0]=3 3961 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,1,0,0,0,0|1,0,0]=3 3962 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,1,0,0,0,0|1,0,1]=4 3963 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [1,1,0,0,0,0|1,0,0]=3 3964 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [1,1,0,0,0,0|2,0,0]=4 3965 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,1,0,0,0,0|2,0,0]=4 3966 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [1,1,0,0,0,0|2,0,0]=4 3967 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [1,1,0,0,0,0|2,0,0]=4 3968 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [1,1,0,0,0,0|2,0,0]=4 3969 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,1,0,0,0,0|1,0,0]=3 3970 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [1,1,0,0,0,0|2,0,0]=4 3971 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [1,1,0,0,0,0|2,0,0]=4 3972 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 3973 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 3974 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [1,1,0,0,0,0|2,0,0]=4 3975 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 3976 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,1,0,0,0,0|2,0,0]=4 3977 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,1,0,0,0,0|2,0,0]=4 3978 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [1,1,0,0,0,0|2,0,0]=4 3979 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [1,1,0,0,0,0|1,0,0]=3 3980 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [1,1,0,0,0,0|1,0,0]=3 3981 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [1,1,0,0,0,0|1,0,0]=3 3982 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [1,1,0,0,0,0|2,0,0]=4 3983 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [1,1,0,0,0,0|2,0,0]=4 3984 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 3985 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 3986 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 3987 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [1,1,0,0,0,0|2,0,0]=4 3988 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [1,1,0,0,0,0|2,0,0]=4 3989 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,1,0,0,0,0|2,0,0]=4 3990 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,1,0,0,0,0|2,0,0]=4 3991 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [1,1,0,0,0,0|2,0,0]=4 3992 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [1,1,0,0,0,0|2,0,0]=4 3993 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 3994 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 3995 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [1,1,0,0,0,0|2,0,0]=4 3996 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 3997 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 3998 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 3999 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [1,1,0,0,0,0|2,0,0]=4 4000 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 4001 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 4002 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 4003 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 4004 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 4005 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,1,0,0,0,0|2,0,0]=4 4006 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,1,0,0,0,0|2,0,0]=4 4007 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,1,0,0,0,0|2,0,0]=4 4008 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|2,0,0]=4 4009 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|2,0,0]=4 4010 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|2,0,0]=4 4011 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|2,0,0]=4 4012 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [1,1,0,0,0,0|2,0,0]=4 4013 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,1,0,0,0,0|2,0,0]=4 4014 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [1,1,0,0,0,0|2,0,0]=4 4015 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [1,1,0,0,0,0|2,0,0]=4 4016 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,1,0,0,0,0|2,0,0]=4 4017 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,1,0,0,0,0|2,0,0]=4 4018 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,1,0,0,0,0|2,0,0]=4 4019 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [1,1,0,0,0,0|2,0,0]=4 4020 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,1,0,0,0,0|2,0,0]=4 4021 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [1,1,0,0,0,0|2,0,0]=4 4022 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [1,1,0,0,0,0|0,0,2]=4 4023 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [1,1,0,0,0,0|0,0,2]=4 4024 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [1,1,0,0,0,0|0,0,2]=4 4025 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [1,1,0,0,0,0|0,0,2]=4 4026 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [1,1,0,0,0,0|0,0,2]=4 4027 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [1,1,0,0,0,0|0,0,2]=4 4028 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [1,1,0,0,0,0|0,0,1]=3 4029 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [1,1,0,0,0,0|0,0,1]=3 4030 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [1,1,0,0,0,0|1,0,1]=4 4031 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [1,1,0,0,0,0|1,0,1]=4 4032 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [1,1,0,0,0,0|1,0,1]=4 4033 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [1,1,0,0,0,0|1,0,1]=4 4034 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [1,1,0,0,0,0|1,0,1]=4 4035 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [1,1,0,0,0,0|1,0,1]=4 4036 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [1,1,0,0,0,0|0,0,2]=4 4037 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [1,1,0,0,0,0|0,0,2]=4 4038 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [1,1,0,0,0,0|0,0,2]=4 4039 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [1,1,0,0,0,0|0,0,2]=4 4040 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [1,1,0,0,0,0|0,0,2]=4 4041 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [1,1,0,0,0,0|0,0,2]=4 4042 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [1,1,0,0,0,0|0,0,2]=4 4043 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,1,0,0,0,0|0,0,2]=4 4044 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [1,1,0,0,0,0|0,0,2]=4 4045 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [1,1,0,0,0,0|0,0,2]=4 4046 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [1,1,0,0,0,0|0,0,2]=4 4047 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [1,1,0,0,0,0|0,0,2]=4 4048 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [1,1,0,0,0,0|0,0,2]=4 4049 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [1,1,0,0,0,0|0,0,2]=4 4050 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [1,1,0,0,0,0|0,0,2]=4 4051 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,1,0,0,0,0|0,0,1]=3 4052 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,1,0,0,0,0|0,0,1]=3 4053 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [1,1,0,0,0,0|1,0,1]=4 4054 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [1,1,0,0,0,0|1,0,1]=4 4055 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [1,1,0,0,0,0|1,0,1]=4 4056 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [1,1,0,0,0,0|1,0,1]=4 4057 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [1,1,0,0,0,0|1,0,1]=4 4058 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [1,1,0,0,0,0|1,0,1]=4 4059 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [1,1,0,0,0,0|0,0,2]=4 4060 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [1,1,0,0,0,0|0,0,2]=4 4061 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [1,1,0,0,0,0|0,0,2]=4 4062 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [1,1,0,0,0,0|0,0,2]=4 4063 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [1,1,0,0,0,0|0,0,2]=4 4064 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [1,1,0,0,0,0|0,0,2]=4 4065 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [1,1,0,0,0,0|0,0,2]=4 4066 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [1,1,0,0,0,0|0,0,2]=4 4067 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [1,1,0,0,0,0|0,0,2]=4 4068 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [1,1,0,0,0,0|0,0,2]=4 4069 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [1,1,0,0,0,0|0,0,2]=4 4070 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [1,1,0,0,0,0|0,0,2]=4 4071 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,1,0,0,0,0|0,0,1]=3 4072 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [1,1,0,0,0,0|1,0,1]=4 4073 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [1,1,0,0,0,0|1,0,1]=4 4074 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [1,1,0,0,0,0|1,0,1]=4 4075 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [1,1,0,0,0,0|1,0,1]=4 4076 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [1,1,0,0,0,0|1,0,1]=4 4077 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,1,0,0,0,0|0,0,1]=3 4078 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [1,1,0,0,0,0|1,0,1]=4 4079 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [1,1,0,0,0,0|0,0,1]=3 4080 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [1,1,0,0,0,0|1,0,1]=4 4081 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [1,1,0,0,0,0|0,0,2]=4 4082 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [1,1,0,0,0,0|0,0,2]=4 4083 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [1,1,0,0,0,0|0,0,1]=3 4084 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [1,1,0,0,0,0|0,0,1]=3 4085 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,1,0,0,0,0|0,0,0]=2 4086 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,1,0,0,0,0|0,0,0]=2 4087 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,1,0,0,0,0|0,0,0]=2 4088 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,1,0,0,0,0|0,0,0]=2 4089 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,1,0,0,0,0|0,0,0]=2 4090 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,1,0,0,0,0|0,0,0]=2 4091 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [1,1,0,0,0,0|2,0,0]=4 4092 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [1,1,0,0,0,0|1,0,1]=4 4093 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [1,1,0,0,0,0|1,0,0]=3 4094 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,1,0,0,0,0|1,0,0]=3 4095 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,1,0,0,0,0|1,0,0]=3 4096 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [1,1,0,0,0,0|1,0,0]=3 4097 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [1,1,0,0,0,0|1,0,1]=4 4098 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [1,1,0,0,0,0|1,0,1]=4 4099 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [1,1,0,0,0,0|1,0,1]=4 4100 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [1,1,0,0,0,0|1,0,1]=4 4101 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [1,1,0,0,0,0|1,0,1]=4 4102 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [1,1,0,0,0,0|1,0,0]=3 4103 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [1,1,0,0,0,0|1,0,0]=3 4104 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [1,1,0,0,0,0|1,0,0]=3 4105 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [1,1,0,0,0,0|1,0,0]=3 4106 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [1,1,0,0,0,0|1,0,0]=3 4107 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [1,1,0,0,0,0|1,0,0]=3 4108 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [1,1,0,0,0,0|1,0,0]=3 4109 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [1,1,0,0,0,0|1,0,0]=3 4110 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [1,1,0,0,0,0|1,0,1]=4 4111 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [1,1,0,0,0,0|1,0,1]=4 4112 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [1,1,0,0,0,0|1,0,1]=4 4113 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [1,1,0,0,0,0|1,0,1]=4 4114 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [1,1,0,0,0,0|1,0,0]=3 4115 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [1,1,0,0,0,0|1,0,0]=3 4116 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [1,1,0,0,0,0|1,0,0]=3 4117 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [1,1,0,0,0,0|1,0,0]=3 4118 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,1,0,0,0,0|1,0,0]=3 4119 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,1,0,0,0,0|1,0,0]=3 4120 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [1,1,0,0,0,0|1,0,0]=3 4121 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [1,1,0,0,0,0|1,0,0]=3 4122 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [1,1,0,0,0,0|1,0,0]=3 4123 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [1,1,0,0,0,0|1,0,0]=3 4124 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [1,1,0,0,0,0|1,0,0]=3 4125 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [1,1,0,0,0,0|1,0,0]=3 4126 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [1,1,0,0,0,0|1,0,0]=3 4127 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [1,1,0,0,0,0|1,0,0]=3 4128 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [1,1,0,0,0,0|1,0,0]=3 4129 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [1,1,0,0,0,0|1,0,0]=3 4130 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [1,1,0,0,0,0|1,0,0]=3 4131 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [1,1,0,0,0,0|1,0,0]=3 4132 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [1,1,0,0,0,0|1,0,0]=3 4133 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [1,1,0,0,0,0|2,0,0]=4 4134 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [1,1,0,0,0,0|1,0,0]=3 4135 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [1,1,0,0,0,0|1,0,0]=3 4136 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,1,0,0,0,0|1,0,1]=4 4137 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,1,0,0,0,0|1,0,1]=4 4138 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [1,1,0,0,0,0|1,0,1]=4 4139 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [1,1,0,0,0,0|0,0,1]=3 4140 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [1,1,0,0,0,0|1,0,1]=4 4141 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [1,1,0,0,0,0|1,0,1]=4 4142 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,1,0,0,0,0|0,0,1]=3 4143 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [1,1,0,0,0,0|1,0,1]=4 4144 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [1,1,0,0,0,0|1,0,1]=4 4145 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [1,1,0,0,0,0|1,0,1]=4 4146 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [1,1,0,0,0,0|1,0,1]=4 4147 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|0,0,0]=2 4148 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|0,0,0]=2 4149 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,1,0,0,0,0|1,0,0]=3 4150 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,1,0,0,0,0|1,0,0]=3 4151 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,1,0,0,0,0|1,0,0]=3 4152 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,1,0,0,0,0|1,0,0]=3 4153 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,1,0,0,0,0|1,0,0]=3 4154 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,1,0,0,0,0|1,0,0]=3 4155 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [1,1,0,0,0,0|2,0,0]=4 4156 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [1,1,0,0,0,0|2,0,0]=4 4157 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [1,1,0,0,0,0|2,0,0]=4 4158 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [1,1,0,0,0,0|2,0,0]=4 4159 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,1,0,0,0,0|0,0,0]=2 4160 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,1,0,0,0,0|0,0,0]=2 4161 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,1,0,0,0,0|0,0,0]=2 4162 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,1,0,0,0,0|0,0,0]=2 4163 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,1,0,0,0,0|1,0,0]=3 4164 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,1,0,0,0,0|1,0,0]=3 4165 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,1,0,0,0,0|1,0,0]=3 4166 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,1,0,0,0,0|1,0,0]=3 4167 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,1,0,0,0,0|1,0,0]=3 4168 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,1,0,0,0,0|1,0,0]=3 4169 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,1,0,0,0,0|1,0,0]=3 4170 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,1,0,0,0,0|1,0,0]=3 4171 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,1,0,0,0,0|1,0,1]=4 4172 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,1,0,0,0,0|1,0,1]=4 4173 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,1,0,0,0,0|1,0,1]=4 4174 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,1,0,0,0,0|1,0,1]=4 4175 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,1,0,0,0,0|1,0,1]=4 4176 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,1,0,0,0,0|1,0,1]=4 4177 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,1,0,0,0,0|1,0,1]=4 4178 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,1,0,0,0,0|1,0,1]=4 4179 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [1,1,0,0,0,0|1,0,0]=3 4180 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,1,0,0,0,0|1,0,1]=4 4181 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,1,0,0,0,0|1,0,1]=4 4182 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [1,1,0,0,0,0|0,0,2]=4 4183 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [1,1,0,0,0,0|1,0,0]=3 4184 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [1,1,0,0,0,0|2,0,0]=4 4185 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [1,1,0,0,0,0|2,0,0]=4 4186 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [1,1,0,0,0,0|2,0,0]=4 4187 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [1,1,0,0,0,0|2,0,0]=4 4188 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,1,0,0,0,0|0,0,0]=2 4189 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,1,0,0,0,0|0,0,0]=2 4190 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [1,1,0,0,0,0|1,0,0]=3 4191 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [1,1,0,0,0,0|1,0,0]=3 4192 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [1,1,0,0,0,0|1,0,0]=3 4193 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [1,1,0,0,0,0|1,0,0]=3 4194 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [1,1,0,0,0,0|1,0,0]=3 4195 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [1,1,0,0,0,0|1,0,0]=3 4196 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [1,1,0,0,0,0|1,0,0]=3 4197 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,1,0,0,0,0|1,0,0]=3 4198 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [1,1,0,0,0,0|1,0,1]=4 4199 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [1,1,0,0,0,0|0,0,2]=4 4200 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [1,1,0,0,0,0|1,0,1]=4 4201 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [1,1,0,0,0,0|1,0,1]=4 4202 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,1,0,0,0,0|0,0,0]=2 4203 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,1,0,0,0,0|0,0,0]=2 4204 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,1,0,0,0,0|0,0,0]=2 4205 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [1,1,0,0,0,0|1,0,0]=3 4206 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [1,1,0,0,0,0|1,0,0]=3 4207 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [1,1,0,0,0,0|1,0,0]=3 4208 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [1,1,0,0,0,0|1,0,0]=3 4209 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [1,1,0,0,0,0|1,0,0]=3 4210 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [1,1,0,0,0,0|1,0,0]=3 4211 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [1,1,0,0,0,0|1,0,0]=3 4212 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,1,0,0,0,0|1,0,0]=3 4213 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,1,0,0,0,0|1,0,0]=3 4214 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,1,0,0,0,0|1,0,1]=4 4215 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,1,0,0,0,0|1,0,1]=4 4216 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [1,1,0,0,0,0|0,0,2]=4 4217 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [1,1,0,0,0,0|0,0,2]=4 4218 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,1,0,0,0,0|1,0,1]=4 4219 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,1,0,0,0,0|1,0,1]=4 4220 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [1,1,0,0,0,0|2,0,0]=4 4221 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [1,1,0,0,0,0|2,0,0]=4 4222 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [1,1,0,0,0,0|2,0,0]=4 4223 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [1,1,0,0,0,0|2,0,0]=4 4224 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [1,1,0,0,0,0|2,0,0]=4 4225 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [1,1,0,0,0,0|2,0,0]=4 4226 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [1,1,0,0,0,0|2,0,0]=4 4227 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [1,1,0,0,0,0|2,0,0]=4 4228 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [1,1,0,0,0,0|2,0,0]=4 4229 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [1,1,0,0,0,0|2,0,0]=4 4230 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [1,1,0,0,0,0|2,0,0]=4 4231 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [1,1,0,0,0,0|2,0,0]=4 4232 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [1,1,0,0,0,0|2,0,0]=4 4233 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [1,1,0,0,0,0|2,0,0]=4 4234 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [1,1,0,0,0,0|2,0,0]=4 4235 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [1,1,0,0,0,0|2,0,0]=4 4236 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [1,1,0,0,0,0|2,0,0]=4 4237 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [1,1,0,0,0,0|2,0,0]=4 4238 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [1,1,0,0,0,0|1,0,0]=3 4239 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [1,1,0,0,0,0|1,0,0]=3 4240 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [1,1,0,0,0,0|1,0,0]=3 4241 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,1,0,0,0,0|1,0,0]=3 4242 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,1,0,0,0,0|1,0,1]=4 4243 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [1,1,0,0,0,0|0,0,2]=4 4244 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,1,0,0,0,0|0,0,0]=2 4245 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,1,0,0,0,0|0,0,0]=2 4246 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [1,1,0,0,0,0|1,0,0]=3 4247 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,1,0,0,0,0|1,0,0]=3 4248 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [1,1,0,0,0,0|1,0,0]=3 4249 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [1,1,0,0,0,0|1,0,0]=3 4250 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [1,1,0,0,0,0|1,0,0]=3 4251 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [1,1,0,0,0,0|1,0,0]=3 4252 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [1,1,0,0,0,0|1,0,0]=3 4253 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [1,1,0,0,0,0|1,0,0]=3 4254 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,1,0,0,0,0|1,0,0]=3 4255 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,1,0,0,0,0|1,0,1]=4 4256 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [1,1,0,0,0,0|2,0,0]=4 4257 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [1,1,0,0,0,0|2,0,0]=4 4258 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,1,0,0,0,0|0,0,0]=2 4259 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,1,0,0,0,0|0,0,0]=2 4260 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [1,1,0,0,0,0|1,0,0]=3 4261 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,1,0,0,0,0|1,0,0]=3 4262 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [1,1,0,0,0,0|1,0,0]=3 4263 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [1,1,0,0,0,0|1,0,0]=3 4264 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [1,1,0,0,0,0|1,0,0]=3 4265 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [1,1,0,0,0,0|1,0,0]=3 4266 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [1,1,0,0,0,0|1,0,0]=3 4267 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [1,1,0,0,0,0|1,0,0]=3 4268 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,1,0,0,0,0|1,0,0]=3 4269 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,1,0,0,0,0|1,0,0]=3 4270 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [1,1,0,0,0,0|2,0,0]=4 4271 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [1,1,0,0,0,0|2,0,0]=4 4272 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [1,1,0,0,0,0|2,0,0]=4 4273 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [1,1,0,0,0,0|1,0,1]=4 4274 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [1,1,0,0,0,0|1,0,1]=4 4275 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [1,1,0,0,0,0|1,0,1]=4 4276 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [1,1,0,0,0,0|1,0,1]=4 4277 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,1,0,0,0,0|1,0,0]=3 4278 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [1,1,0,0,0,0|1,0,0]=3 4279 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [1,1,0,0,0,0|1,0,0]=3 4280 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,1,0,0,0,0|1,0,0]=3 4281 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,1,0,0,0,0|1,0,0]=3 4282 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,1,0,0,0,0|1,0,0]=3 4283 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,1,0,0,0,0|1,0,0]=3 4284 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,1,0,0,0,0|1,0,0]=3 4285 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,1,0,0,0,0|1,0,0]=3 4286 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,1,0,0,0,0|1,0,0]=3 4287 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,1,0,0,0,0|1,0,0]=3 4288 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,1,0,0,0,0|1,0,0]=3 4289 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,1,0,0,0,0|1,0,0]=3 4290 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,1,0,0,0,0|1,0,0]=3 4291 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,1,0,0,0,0|1,0,0]=3 4292 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,1,0,0,0,0|1,0,0]=3 4293 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [1,1,0,0,0,0|2,0,0]=4 4294 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [1,1,0,0,0,0|2,0,0]=4 4295 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [1,1,0,0,0,0|2,0,0]=4 4296 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [1,1,0,0,0,0|2,0,0]=4 4297 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [1,1,0,0,0,0|2,0,0]=4 4298 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [1,1,0,0,0,0|2,0,0]=4 4299 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [1,1,0,0,0,0|2,0,0]=4 4300 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [1,1,0,0,0,0|2,0,0]=4 4301 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [1,1,0,0,0,0|2,0,0]=4 4302 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [1,1,0,0,0,0|2,0,0]=4 4303 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [1,1,0,0,0,0|2,0,0]=4 4304 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [1,1,0,0,0,0|2,0,0]=4 4305 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [1,1,0,0,0,0|2,0,0]=4 4306 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [1,1,0,0,0,0|2,0,0]=4 4307 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [1,1,0,0,0,0|2,0,0]=4 4308 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [1,1,0,0,0,0|2,0,0]=4 4309 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [1,1,0,0,0,0|2,0,0]=4 4310 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [1,1,0,0,0,0|2,0,0]=4 4311 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [1,1,0,0,0,0|2,0,0]=4 4312 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [1,1,0,0,0,0|2,0,0]=4 4313 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [1,1,0,0,0,0|2,0,0]=4 4314 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [1,1,0,0,0,0|2,0,0]=4 4315 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [1,1,0,0,0,0|2,0,0]=4 4316 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [1,1,0,0,0,0|2,0,0]=4 4317 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [1,1,0,0,0,0|2,0,0]=4 4318 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [1,1,0,0,0,0|2,0,0]=4 4319 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [1,1,0,0,0,0|2,0,0]=4 4320 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [1,1,0,0,0,0|2,0,0]=4 4321 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [1,1,0,0,0,0|2,0,0]=4 4322 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [1,1,0,0,0,0|2,0,0]=4 4323 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [1,1,0,0,0,0|2,0,0]=4 4324 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [1,1,0,0,0,0|2,0,0]=4 4325 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [1,1,0,0,0,0|2,0,0]=4 4326 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [1,1,0,0,0,0|2,0,0]=4 4327 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [1,1,0,0,0,0|2,0,0]=4 4328 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [1,1,0,0,0,0|2,0,0]=4 4329 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [1,1,0,0,0,0|2,0,0]=4 4330 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [1,1,0,0,0,0|2,0,0]=4 4331 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [1,1,0,0,0,0|2,0,0]=4 4332 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [1,1,0,0,0,0|2,0,0]=4 4333 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [1,1,0,0,0,0|2,0,0]=4 4334 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [1,1,0,0,0,0|2,0,0]=4 4335 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [1,1,0,0,0,0|2,0,0]=4 4336 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [1,1,0,0,0,0|2,0,0]=4 4337 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [1,1,0,0,0,0|2,0,0]=4 4338 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [1,1,0,0,0,0|2,0,0]=4 4339 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [1,1,0,0,0,0|2,0,0]=4 4340 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [1,1,0,0,0,0|2,0,0]=4 4341 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [1,1,0,0,0,0|2,0,0]=4 4342 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [1,1,0,0,0,0|2,0,0]=4 4343 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [1,1,0,0,0,0|2,0,0]=4 4344 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [1,1,0,0,0,0|1,0,0]=3 4345 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [1,1,0,0,0,0|1,0,0]=3 4346 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [1,1,0,0,0,0|1,0,0]=3 4347 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [1,1,0,0,0,0|1,0,0]=3 4348 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [1,1,0,0,0,0|1,0,0]=3 4349 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,1,0,0,0,0|1,0,0]=3 4350 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,1,0,0,0,0|1,0,0]=3 4351 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,1,0,0,0,0|1,0,0]=3 4352 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [1,1,0,0,0,0|2,0,0]=4 4353 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [1,1,0,0,0,0|2,0,0]=4 4354 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [1,1,0,0,0,0|2,0,0]=4 4355 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,1,0,0,0,0|1,0,0]=3 4356 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,1,0,0,0,0|1,0,0]=3 4357 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,1,0,0,0,0|1,0,0]=3 4358 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,1,0,0,0,0|1,0,0]=3 4359 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [1,1,0,0,0,0|2,0,0]=4 4360 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [1,1,0,0,0,0|2,0,0]=4 4361 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [1,1,0,0,0,0|2,0,0]=4 4362 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [1,1,0,0,0,0|2,0,0]=4 4363 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [1,1,0,0,0,0|2,0,0]=4 4364 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [1,1,0,0,0,0|2,0,0]=4 4365 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [1,1,0,0,0,0|2,0,0]=4 4366 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [1,1,0,0,0,0|2,0,0]=4 4367 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [1,1,0,0,0,0|2,0,0]=4 4368 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [1,1,0,0,0,0|2,0,0]=4 4369 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [1,1,0,0,0,0|2,0,0]=4 4370 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [1,1,0,0,0,0|2,0,0]=4 4371 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [1,1,0,0,0,0|2,0,0]=4 4372 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [1,1,0,0,0,0|2,0,0]=4 4373 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,1,0,0,0,0|2,0,0]=4 4374 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [1,1,0,0,0,0|1,0,0]=3 4375 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,1,0,0,0,0|1,0,0]=3 4376 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [1,1,0,0,0,0|2,0,0]=4 4377 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,1,0,0,0,0|1,0,0]=3 4378 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [1,1,0,0,0,0|2,0,0]=4 4379 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [1,1,0,0,0,0|2,0,0]=4 4380 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [1,1,0,0,0,0|2,0,0]=4 4381 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,1,0,0,0,0|2,0,0]=4 4382 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [1,1,0,0,0,0|2,0,0]=4 4383 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [1,1,0,0,0,0|2,0,0]=4 4384 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [1,1,0,0,0,0|1,0,0]=3 4385 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [1,1,0,0,0,0|2,0,0]=4 4386 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [1,1,0,0,0,0|2,0,0]=4 4387 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [1,1,0,0,0,0|1,0,1]=4 4388 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [1,1,0,0,0,0|1,0,1]=4 4389 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,1,0,0,0,0|1,0,0]=3 4390 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [1,1,0,0,0,0|2,0,0]=4 4391 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,1,0,0,0,0|1,0,0]=3 4392 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,1,0,0,0,0|1,0,0]=3 4393 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [1,1,0,0,0,0|2,0,0]=4 4394 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [1,1,0,0,0,0|2,0,0]=4 4395 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [1,1,0,0,0,0|2,0,0]=4 4396 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [1,1,0,0,0,0|2,0,0]=4 4397 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [1,1,0,0,0,0|2,0,0]=4 4398 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [1,1,0,0,0,0|0,0,2]=4 4399 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [1,1,0,0,0,0|0,0,2]=4 4400 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,1,0,0,0,0|0,0,1]=3 4401 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,1,0,0,0,0|0,0,1]=3 4402 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [1,1,0,0,0,0|1,0,1]=4 4403 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [1,1,0,0,0,0|1,0,1]=4 4404 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [1,1,0,0,0,0|1,0,1]=4 4405 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 4406 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 4407 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 4408 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 4409 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 4410 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 4411 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 4412 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,1,0,0,0,0|0,0,2]=4 4413 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [1,1,0,0,0,0|0,0,2]=4 4414 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [1,1,0,0,0,0|1,0,0]=3 4415 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|1,0,0]=3 4416 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [1,1,0,0,0,0|2,0,0]=4 4417 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [1,1,0,0,0,0|2,0,0]=4 4418 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [1,1,0,0,0,0|2,0,0]=4 4419 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [1,1,0,0,0,0|2,0,0]=4 4420 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|1,0,0]=3 4421 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [1,1,0,0,0,0|2,0,0]=4 4422 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [1,1,0,0,0,0|2,0,0]=4 4423 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [1,1,0,0,0,0|0,0,2]=4 4424 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,1,0,0,0,0|0,0,2]=4 4425 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,1,0,0,0,0|0,0,2]=4 4426 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,1,0,0,0,0|1,0,1]=4 4427 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|0,0,0]=2 4428 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|0,0,0]=2 4429 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|0,0,0]=2 4430 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [1,1,0,0,0,0|2,0,0]=4 4431 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [1,1,0,0,0,0|1,0,0]=3 4432 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,1,0,0,0,0|1,0,1]=4 4433 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,1,0,0,0,0|1,0,1]=4 4434 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [1,1,0,0,0,0|1,0,0]=3 4435 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [1,1,0,0,0,0|1,0,0]=3 4436 B8R0.9 CCC(=O)COC(F)F 1458a_200000719455_100000210202 [1,1,0,0,0,0|2,0,0]=4 4437 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,1,0,0,0,0|1,0,1]=4 4438 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [1,1,0,0,0,0|1,0,0]=3 4439 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [1,1,0,0,0,0|1,0,0]=3 4440 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [1,1,0,0,0,0|1,0,0]=3 4441 B8R0.9 CCC(=O)CSC(F)F 1458a_114828291038_100000210202 [1,1,0,0,0,0|2,0,0]=4 4442 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,1,0,0,0,0|1,0,1]=4 4443 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,1,0,0,0,0|1,0,1]=4 4444 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 4445 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 4446 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 4447 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 4448 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,1,0,0,0,0|1,0,0]=3 4449 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,1,0,0,0,0|1,0,0]=3 4450 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,1,0,0,0,0|1,0,0]=3 4451 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 4452 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 4453 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 4454 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 4455 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [1,1,0,0,0,0|2,0,0]=4 4456 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [1,1,0,0,0,0|2,0,0]=4 4457 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [1,1,0,0,0,0|2,0,0]=4 4458 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [1,1,0,0,0,0|2,0,0]=4 4459 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [1,1,0,0,0,0|2,0,0]=4 4460 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [1,1,0,0,0,0|2,0,0]=4 4461 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [1,1,0,0,0,0|2,0,0]=4 4462 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [1,1,0,0,0,0|2,0,0]=4 4463 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [1,1,0,0,0,0|2,0,0]=4 4464 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [1,1,0,0,0,0|2,0,0]=4 4465 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [1,1,0,0,0,0|2,0,0]=4 4466 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,1,0,0,0,0|1,0,1]=4 4467 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,1,0,0,0,0|1,0,1]=4 4468 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,1,0,0,0,0|1,0,1]=4 4469 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,1,0,0,0,0|1,0,1]=4 4470 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,1,0,0,0,0|1,0,0]=3 4471 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 4472 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 4473 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 4474 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,1,0,0,0,0|1,0,0]=3 4475 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [1,1,0,0,0,0|2,0,0]=4 4476 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 4477 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 4478 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 4479 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 4480 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 4481 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 4482 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 4483 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 4484 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [1,1,0,0,0,0|2,0,0]=4 4485 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [1,1,0,0,0,0|2,0,0]=4 4486 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [1,1,0,0,0,0|2,0,0]=4 4487 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [1,1,0,0,0,0|2,0,0]=4 4488 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [1,1,0,0,0,0|2,0,0]=4 4489 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [1,1,0,0,0,0|2,0,0]=4 4490 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [1,1,0,0,0,0|2,0,0]=4 4491 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 4492 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 4493 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [1,1,0,0,0,0|2,0,0]=4 4494 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [1,1,0,0,0,0|2,0,0]=4 4495 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 4496 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [1,1,0,0,0,0|2,0,0]=4 4497 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 4498 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 4499 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 4500 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [1,1,0,0,0,0|2,0,0]=4 4501 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [1,1,0,0,0,0|2,0,0]=4 4502 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [1,1,0,0,0,0|2,0,0]=4 4503 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 4504 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 4505 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 4506 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 4507 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [1,1,0,0,0,0|2,0,0]=4 4508 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 4509 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 4510 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 4511 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 4512 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [1,1,0,0,0,0|2,0,0]=4 4513 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,1,0,0,0,0|1,0,1]=4 4514 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,1,0,0,0,0|1,0,1]=4 4515 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [1,1,0,0,0,0|2,0,0]=4 4516 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [1,1,0,0,0,0|2,0,0]=4 4517 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [1,1,0,0,0,0|2,0,0]=4 4518 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [1,1,0,0,0,0|2,0,0]=4 4519 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [1,1,0,0,0,0|2,0,0]=4 4520 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [1,1,0,0,0,0|2,0,0]=4 4521 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [1,1,0,0,0,0|2,0,0]=4 4522 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [1,1,0,0,0,0|2,0,0]=4 4523 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [1,1,0,0,0,0|2,0,0]=4 4524 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [1,1,0,0,0,0|2,0,0]=4 4525 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [1,1,0,0,0,0|1,0,1]=4 4526 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [1,1,0,0,0,0|1,0,1]=4 4527 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [1,1,0,0,0,0|1,0,1]=4 4528 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [1,1,0,0,0,0|0,0,2]=4 4529 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [1,1,0,0,0,0|0,0,2]=4 4530 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [1,1,0,0,0,0|0,0,2]=4 4531 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [1,1,0,0,0,0|0,0,2]=4 4532 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [1,1,0,0,0,0|0,0,2]=4 4533 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [1,1,0,0,0,0|0,1,1]=4 4534 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [1,1,0,0,0,0|0,1,1]=4 4535 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [1,1,0,0,0,0|0,1,1]=4 4536 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [1,1,0,0,0,0|0,1,1]=4 4537 B8R0.11 CCCCN(CC)CC 2230a_100000207695_100000210202 [1,1,0,0,0,0|2,0,0]=4 4538 B8R0.11 CCCCN(CC)CC 2230a_100000724800_100000210211 [1,1,0,0,0,0|2,0,0]=4 4539 B8R0.11 CCCCN(CC)CC 269956a_100000042499_100000210211 [1,1,0,0,0,0|2,0,0]=4 4540 B8R0.11 CCCCN(CC)CC 269982a_100000207695_100000204670 [1,1,0,0,0,0|2,0,0]=4 4541 B8R0.11 CCCCN(CC)CC 269982a_100000724800_100000210211 [1,1,0,0,0,0|2,0,0]=4 4542 B8R0.11 CCCCN(CC)CF 269982a_100000207695_100015361967 [1,1,0,0,0,0|2,0,0]=4 4543 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [1,1,0,0,0,0|0,0,2]=4 4544 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [1,1,0,0,0,0|0,0,2]=4 4545 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [1,1,0,0,0,0|0,0,2]=4 4546 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,1,0,0,0,0|0,0,2]=4 4547 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,1,0,0,0,0|0,0,2]=4 4548 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,1,0,0,0,0|0,0,2]=4 4549 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [1,1,0,0,0,0|0,0,2]=4 4550 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [1,1,0,0,0,0|0,0,2]=4 4551 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,1,0,0,0,0|0,0,1]=3 4552 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [1,1,0,0,0,0|1,0,1]=4 4553 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [1,1,0,0,0,0|1,0,1]=4 4554 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|1,0,1]=4 4555 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|1,0,1]=4 4556 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|0,0,0]=2 4557 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|0,0,0]=2 4558 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|0,0,0]=2 4559 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|0,0,0]=2 4560 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,1,0,0,0,0|1,0,0]=3 4561 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,1,0,0,0,0|1,0,0]=3 4562 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|0,0,0]=2 4563 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|1,0,0]=3 4564 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 4565 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 4566 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 4567 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 4568 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 4569 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 4570 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 4571 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 4572 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [1,1,0,0,0,0|2,0,0]=4 4573 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [1,1,0,0,0,0|2,0,0]=4 4574 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|1,0,0]=3 4575 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|1,0,0]=3 4576 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|1,0,0]=3 4577 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 4578 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 4579 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 4580 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [1,1,0,0,0,0|2,0,0]=4 4581 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [1,1,0,0,0,0|2,0,0]=4 4582 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [1,1,0,0,0,0|2,0,0]=4 4583 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [1,1,0,0,0,0|2,0,0]=4 4584 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [1,1,0,0,0,0|2,0,0]=4 4585 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [1,1,0,0,0,0|2,0,0]=4 4586 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,1,0,0,0,0|2,0,0]=4 4587 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 4588 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 4589 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 4590 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 4591 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,1,0,0,0,0|2,0,0]=4 4592 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|1,0,0]=3 4593 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|1,0,0]=3 4594 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 4595 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 4596 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [1,1,0,0,0,0|2,0,0]=4 4597 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [1,1,0,0,0,0|2,0,0]=4 4598 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [1,1,0,0,0,0|2,0,0]=4 4599 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [1,1,0,0,0,0|2,0,0]=4 4600 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [1,1,0,0,0,0|2,0,0]=4 4601 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [1,1,0,0,0,0|2,0,0]=4 4602 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [1,1,0,0,0,0|2,0,0]=4 4603 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [1,1,0,0,0,0|2,0,0]=4 4604 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 4605 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 4606 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 4607 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 4608 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|2,0,0]=4 4609 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 4610 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 4611 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|1,0,0]=3 4612 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [1,1,0,0,0,0|2,0,0]=4 4613 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [1,1,0,0,0,0|2,0,0]=4 4614 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|2,0,0]=4 4615 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|2,0,0]=4 4616 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|2,0,0]=4 4617 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|2,0,0]=4 4618 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|2,0,0]=4 4619 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|2,0,0]=4 4620 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|2,0,0]=4 4621 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|2,0,0]=4 4622 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [1,1,0,0,0,0|2,0,0]=4 4623 B8R0.25 CCCCS(=O)(=O)NC 270084a_100102657272_100000212082 [1,1,0,0,0,0|2,0,0]=4 4624 B8R0.25 CCCCS(=O)(=O)NC 274078a_100102657272_100000212082 [1,1,0,0,0,0|2,0,0]=4 4625 B8R0.25 CCCCS(=O)(=O)NC 40a_100102657272_100000054263 [1,1,0,0,0,0|2,0,0]=4 4626 B8R0.25 CCCNS(=O)(=O)CC 270084a_100020643023_100000211323 [1,1,0,0,0,0|2,0,0]=4 4627 B8R0.25 CCCNS(=O)(=O)CC 274078a_100020643023_100000211323 [1,1,0,0,0,0|2,0,0]=4 4628 B8R0.25 CCCNS(=O)(=O)CC 40a_100020643023_100000053943 [1,1,0,0,0,0|2,0,0]=4 4629 B8R0.25 CCS(=O)(=O)CCNC 2230a_100000751051_200000210301 [1,1,0,0,0,0|2,0,0]=4 4630 B8R0.25 CCS(=O)(=O)CCNC 2230a_106832991635_100000756660 [1,1,0,0,0,0|2,0,0]=4 4631 B8R0.25 CCS(=O)(=O)CCNC 34a_100000751051_200000210301 [1,1,0,0,0,0|2,0,0]=4 4632 B8R0.25 CCS(=O)(=O)CCNC 34a_100102657272_100000756660 [1,1,0,0,0,0|2,0,0]=4 4633 B8R0.25 CCS(=O)(=O)CCNC 7a_106832991635_100000756660 [1,1,0,0,0,0|2,0,0]=4 4634 B8R0.25 CCS(=O)(=O)CCN[13CH3] 2230a_100000751051_200025704644 [1,1,0,0,0,0|2,0,0]=4 4635 B8R0.25 CCS(=O)(=O)CCN[13CH3] 34a_100000751051_200025704644 [1,1,0,0,0,0|2,0,0]=4 4636 B8R0.25 CCS(=O)(=O)CCOC 34a_100138415774_100000756660 [1,1,0,0,0,0|2,0,0]=4 4637 B8R0.25 CCS(=O)(=O)CCOC 34a_200011216379_200000210301 [1,1,0,0,0,0|2,0,0]=4 4638 B8R0.25 CCS(=O)(=O)CCOC 7a_200011216379_200000210301 [1,1,0,0,0,0|2,0,0]=4 4639 B8R0.25 CCS(=O)(=O)CCO[13CH3] 34a_200011216379_200025704644 [1,1,0,0,0,0|2,0,0]=4 4640 B8R0.25 CCS(=O)(=O)CCO[13CH3] 7a_200011216379_200025704644 [1,1,0,0,0,0|2,0,0]=4 4641 B8R0.25 CCS(=O)(=O)CCSC 62a_100000756660_200000210301 [1,1,0,0,0,0|2,0,0]=4 4642 B8R0.25 CCS(=O)(=O)CCSC 62a_200000210301_100000756660 [1,1,0,0,0,0|2,0,0]=4 4643 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_100000756660_200025704644 [1,1,0,0,0,0|2,0,0]=4 4644 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_200025704644_100000756660 [1,1,0,0,0,0|2,0,0]=4 4645 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [1,1,0,0,0,0|1,0,1]=4 4646 B8R0.5 CC(C)NC(C)CCO 2230a_100138425928_100009893172 [1,1,0,0,0,0|2,0,0]=4 4647 B8R0.5 CC(C)NC(C)CCO 34a_100138425928_100009893172 [1,1,0,0,0,0|2,0,0]=4 4648 B8R0.5 CC(C)N[C@H](C)CCO 2230a_100000706166_100000210206 [1,1,0,0,0,0|2,0,0]=4 4649 B8R0.5 CC(C)N[C@H](C)CCO 34a_100000706166_100000210206 [1,1,0,0,0,0|2,0,0]=4 4650 B8R0.5 CC(C)OC(C)CCBr 34a_100012276601_100000210206 [1,1,0,0,0,0|2,0,0]=4 4651 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [1,1,0,0,0,0|2,0,0]=4 4652 B8R0.5 CC(C)SC(C)CCO 62a_100000210206_100009893172 [1,1,0,0,0,0|2,0,0]=4 4653 B8R0.5 CC(C)SC(C)CCO 62a_100009893172_100000210206 [1,1,0,0,0,0|2,0,0]=4 4654 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [1,1,0,0,0,0|0,0,2]=4 4655 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [1,1,0,0,0,0|0,0,2]=4 4656 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [1,1,0,0,0,0|0,0,2]=4 4657 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [1,1,0,0,0,0|1,0,1]=4 4658 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [1,1,0,0,0,0|1,0,1]=4 4659 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [1,1,0,0,0,0|1,0,1]=4 4660 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [1,1,0,0,0,0|1,0,1]=4 4661 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [1,1,0,0,0,0|1,0,1]=4 4662 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [1,1,0,0,0,0|1,0,1]=4 4663 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [1,1,0,0,0,0|1,0,1]=4 4664 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [1,1,0,0,0,0|1,0,0]=3 4665 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [1,1,0,0,0,0|1,0,0]=3 4666 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [1,1,0,0,0,0|1,0,0]=3 4667 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [1,1,0,0,0,0|1,0,0]=3 4668 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [1,1,0,0,0,0|1,0,0]=3 4669 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [1,1,0,0,0,0|1,0,0]=3 4670 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [1,1,0,0,0,0|1,0,0]=3 4671 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [1,1,0,0,0,0|1,0,0]=3 4672 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [1,1,0,0,0,0|1,0,1]=4 4673 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [1,1,0,0,0,0|1,0,1]=4 4674 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [1,1,0,0,0,0|1,0,1]=4 4675 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [1,1,0,0,0,0|1,0,1]=4 4676 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [1,1,0,0,0,0|1,0,1]=4 4677 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [1,1,0,0,0,0|1,0,1]=4 4678 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [1,1,0,0,0,0|1,0,1]=4 4679 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [1,1,0,0,0,0|1,0,1]=4 4680 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [1,1,0,0,0,0|1,0,1]=4 4681 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [1,1,0,0,0,0|1,0,1]=4 4682 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [1,1,0,0,0,0|1,0,1]=4 4683 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [1,1,0,0,0,0|1,0,1]=4 4684 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [1,1,0,0,0,0|1,0,1]=4 4685 B8R0.5 COCC(C)NC(C)C 2230a_100138425928_100000765312 [1,1,0,0,0,0|2,0,0]=4 4686 B8R0.5 COCC(C)NC(C)C 34a_100138425928_100000765312 [1,1,0,0,0,0|2,0,0]=4 4687 B8R0.5 COCC(C)OC(C)C 34a_100000212225_100000765312 [1,1,0,0,0,0|2,0,0]=4 4688 B8R0.5 COCC(C)SC(C)C 62a_100000210206_100000765312 [1,1,0,0,0,0|2,0,0]=4 4689 B8R0.5 COCC(C)SC(C)C 62a_100000765312_100000210206 [1,1,0,0,0,0|2,0,0]=4 4690 B8R0.5 COC[C@@H](C)NC(C)C 2230a_100000764878_100000210206 [1,1,0,0,0,0|2,0,0]=4 4691 B8R0.5 COC[C@@H](C)OC(C)C 34a_100011934205_100000210206 [1,1,0,0,0,0|2,0,0]=4 4692 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [1,1,0,0,0,0|1,0,1]=4 4693 B8R0.7 C#CCCCNC(C)C 2230a_100138425928_100000731252 [1,1,0,0,0,0|1,0,1]=4 4694 B8R0.7 C#CCCCNC(C)C 34a_100000718082_100000210206 [1,1,0,0,0,0|1,0,1]=4 4695 B8R0.7 C#CCCCNC(C)C 34a_100138425928_100000695029 [1,1,0,0,0,0|1,0,1]=4 4696 B8R0.7 C#CCCCOC(C)C 34a_100000212225_100000695029 [1,1,0,0,0,0|1,0,1]=4 4697 B8R0.7 C#CCCCOC(C)C 34a_100000215630_100000210206 [1,1,0,0,0,0|1,0,1]=4 4698 B8R0.7 C#CCCCOC(C)C 7a_100000215630_100000210206 [1,1,0,0,0,0|1,0,1]=4 4699 B8R0.7 C#CCCCSC(C)C 62a_100000210206_100011215417 [1,1,0,0,0,0|1,0,1]=4 4700 B8R0.7 C#CCCCSC(C)C 62a_100011215417_100000210206 [1,1,0,0,0,0|1,0,1]=4 4701 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [1,1,0,0,0,0|1,0,1]=4 4702 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [1,1,0,0,0,0|1,0,1]=4 4703 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [1,1,0,0,0,0|1,0,1]=4 4704 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [1,1,0,0,0,0|1,0,1]=4 4705 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [1,1,0,0,0,0|1,0,1]=4 4706 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [1,1,0,0,0,0|1,0,1]=4 4707 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [1,1,0,0,0,0|1,0,1]=4 4708 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [1,1,0,0,0,0|1,0,1]=4 4709 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [1,1,0,0,0,0|1,0,1]=4 4710 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [1,1,0,0,0,0|1,0,1]=4 4711 B8R0.7 CC#CCCOC(C)C 34a_100000750427_100000210206 [1,1,0,0,0,0|1,0,1]=4 4712 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [1,1,0,0,0,0|1,0,1]=4 4713 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [1,1,0,0,0,0|1,0,1]=4 4714 B8R0.7 CC(=CCNCCF)C 34a_100000718196_100011217306 [1,1,0,0,0,0|1,0,1]=4 4715 B8R0.7 CC(=CCNCCF)C 34a_100000724931_100000761012 [1,1,0,0,0,0|1,0,1]=4 4716 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [1,1,0,0,0,0|1,0,1]=4 4717 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [1,1,0,0,0,0|1,0,1]=4 4718 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [1,1,0,0,0,0|1,0,1]=4 4719 B8R0.7 CC(=CCOCCBr)C 34a_100000211926_100000761012 [1,1,0,0,0,0|1,0,1]=4 4720 B8R0.7 CC(=CCOCCF)C 34a_100000753907_100011217306 [1,1,0,0,0,0|1,0,1]=4 4721 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [1,1,0,0,0,0|1,0,1]=4 4722 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [1,1,0,0,0,0|1,0,1]=4 4723 B8R0.7 CC(=CCSCCF)C 62a_100000761012_100011217306 [1,1,0,0,0,0|1,0,1]=4 4724 B8R0.7 CC(=CCSCCF)C 62a_100011217306_100000761012 [1,1,0,0,0,0|1,0,1]=4 4725 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [1,1,0,0,0,0|1,0,1]=4 4726 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [1,1,0,0,0,0|1,0,1]=4 4727 B8R0.7 CC(C)C=NNCCO 4a_100000210001_100000210432 [1,1,0,0,0,0|2,0,0]=4 4728 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,0,0,0,0|0,0,1]=3 4729 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,0,0,0,0|0,0,1]=3 4730 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|0,0,1]=3 4731 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|0,0,1]=3 4732 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [1,1,0,0,0,0|1,0,1]=4 4733 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [1,1,0,0,0,0|1,0,1]=4 4734 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [1,1,0,0,0,0|1,0,1]=4 4735 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [1,1,0,0,0,0|1,0,1]=4 4736 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [1,1,0,0,0,0|1,0,1]=4 4737 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [1,1,0,0,0,0|1,0,1]=4 4738 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [1,1,0,0,0,0|1,0,1]=4 4739 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [1,1,0,0,0,0|1,0,1]=4 4740 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [1,1,0,0,0,0|1,0,1]=4 4741 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [1,1,0,0,0,0|1,0,1]=4 4742 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [1,1,0,0,0,0|1,0,1]=4 4743 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [1,1,0,0,0,0|1,0,1]=4 4744 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [1,1,0,0,0,0|1,0,1]=4 4745 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [1,1,0,0,0,0|1,0,1]=4 4746 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,1,0,0,0,0|1,0,1]=4 4747 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,1,0,0,0,0|1,0,1]=4 4748 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [1,1,0,0,0,0|1,0,1]=4 4749 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [1,1,0,0,0,0|1,0,1]=4 4750 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [1,1,0,0,0,0|1,0,1]=4 4751 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [1,1,0,0,0,0|1,0,1]=4 4752 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [1,1,0,0,0,0|1,0,1]=4 4753 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [1,1,0,0,0,0|1,0,1]=4 4754 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [1,1,0,0,0,0|1,0,1]=4 4755 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [1,1,0,0,0,0|1,0,1]=4 4756 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [1,1,0,0,0,0|1,0,1]=4 4757 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [1,1,0,0,0,0|1,0,1]=4 4758 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [1,1,0,0,0,0|1,0,1]=4 4759 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [1,1,0,0,0,0|1,0,1]=4 4760 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [1,1,0,0,0,0|1,0,1]=4 4761 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [1,1,0,0,0,0|1,0,1]=4 4762 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [1,1,0,0,0,0|1,0,1]=4 4763 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [1,1,0,0,0,0|1,0,1]=4 4764 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [1,1,0,0,0,0|1,0,1]=4 4765 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [1,1,0,0,0,0|1,0,1]=4 4766 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [1,1,0,0,0,0|1,0,1]=4 4767 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [1,1,0,0,0,0|1,0,1]=4 4768 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [1,1,0,0,0,0|1,0,1]=4 4769 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [1,1,0,0,0,0|1,0,1]=4 4770 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [1,1,0,0,0,0|1,0,1]=4 4771 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [1,1,0,0,0,0|1,0,1]=4 4772 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [1,1,0,0,0,0|1,0,1]=4 4773 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [1,1,0,0,0,0|1,0,1]=4 4774 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [1,1,0,0,0,0|1,0,1]=4 4775 B8R0.7 CC(C)NCCCC#N 2230a_100138425928_100000687738 [1,1,0,0,0,0|1,0,1]=4 4776 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [1,1,0,0,0,0|1,0,1]=4 4777 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [1,1,0,0,0,0|1,0,0]=3 4778 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [1,1,0,0,0,0|1,0,0]=3 4779 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [1,1,0,0,0,0|1,0,0]=3 4780 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [1,1,0,0,0,0|1,0,0]=3 4781 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [1,1,0,0,0,0|1,0,0]=3 4782 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [1,1,0,0,0,0|1,0,0]=3 4783 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [1,1,0,0,0,0|1,0,0]=3 4784 B8R0.7 CC(C)NCCOCF 34a_100000224655_100015361967 [1,1,0,0,0,0|2,0,0]=4 4785 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [1,1,0,0,0,0|1,0,0]=3 4786 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [1,1,0,0,0,0|1,0,0]=3 4787 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [1,1,0,0,0,0|1,0,0]=3 4788 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [1,1,0,0,0,0|1,0,0]=3 4789 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [1,1,0,0,0,0|1,0,0]=3 4790 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [1,1,0,0,0,0|1,0,0]=3 4791 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [1,1,0,0,0,0|1,0,0]=3 4792 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [1,1,0,0,0,0|1,0,0]=3 4793 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [1,1,0,0,0,0|1,0,0]=3 4794 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [1,1,0,0,0,0|1,0,0]=3 4795 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [1,1,0,0,0,0|1,0,0]=3 4796 B8R0.7 CC(C)OCCNCF 34a_100000701111_100015361967 [1,1,0,0,0,0|2,0,0]=4 4797 B8R0.7 CC(C)OCCOCF 34a_100000211219_100015361967 [1,1,0,0,0,0|2,0,0]=4 4798 B8R0.7 CC(C)OCCOCF 7a_100000211219_100015361967 [1,1,0,0,0,0|2,0,0]=4 4799 B8R0.7 CC(C)OCCSCF 62a_100000211751_100015361967 [1,1,0,0,0,0|2,0,0]=4 4800 B8R0.7 CC(C)OCCSCF 62a_100015361967_100000211751 [1,1,0,0,0,0|2,0,0]=4 4801 B8R0.7 CC(C)OCNCCF 34a_100000724931_100000709892 [1,1,0,0,0,0|2,0,0]=4 4802 B8R0.7 CC(C)OCNCCO 2230a_100016997473_100000709892 [1,1,0,0,0,0|2,0,0]=4 4803 B8R0.7 CC(C)OCNCCO 34a_100016990907_100000709892 [1,1,0,0,0,0|2,0,0]=4 4804 B8R0.7 CC(C)OCOCCBr 34a_100000211926_100000709892 [1,1,0,0,0,0|2,0,0]=4 4805 B8R0.7 CC(C)OCOCCN 34a_100000210304_100000709892 [1,1,0,0,0,0|2,0,0]=4 4806 B8R0.7 CC(C)OCSCCF 62a_100000709892_100011217306 [1,1,0,0,0,0|2,0,0]=4 4807 B8R0.7 CC(C)OCSCCF 62a_100011217306_100000709892 [1,1,0,0,0,0|2,0,0]=4 4808 B8R0.7 CC(C)OCSCCO 62a_100000211926_100000709892 [1,1,0,0,0,0|2,0,0]=4 4809 B8R0.7 CC(C)OCSCCO 62a_100000709892_100000211926 [1,1,0,0,0,0|2,0,0]=4 4810 B8R0.7 CC(C)SCCCC#N 62a_100000210206_100000687738 [1,1,0,0,0,0|1,0,1]=4 4811 B8R0.7 CC(C)SCCCC#N 62a_100000687738_100000210206 [1,1,0,0,0,0|1,0,1]=4 4812 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [1,1,0,0,0,0|1,0,1]=4 4813 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [1,1,0,0,0,0|1,0,1]=4 4814 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [1,1,0,0,0,0|1,0,0]=3 4815 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [1,1,0,0,0,0|1,0,0]=3 4816 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [1,1,0,0,0,0|1,0,0]=3 4817 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [1,1,0,0,0,0|1,0,0]=3 4818 B8R0.7 CC(C)SCCNCF 34a_100000731138_100015361967 [1,1,0,0,0,0|2,0,0]=4 4819 B8R0.7 CC(C)SCCOCF 34a_200011212901_100015361967 [1,1,0,0,0,0|2,0,0]=4 4820 B8R0.7 CC(C)SCCOCF 7a_200011212901_100015361967 [1,1,0,0,0,0|2,0,0]=4 4821 B8R0.7 CC(C)SCCSCF 62a_100000730970_100015361967 [1,1,0,0,0,0|2,0,0]=4 4822 B8R0.7 CC(C)SCCSCF 62a_100015361967_100000730970 [1,1,0,0,0,0|2,0,0]=4 4823 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [1,1,0,0,0,0|1,0,1]=4 4824 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [1,1,0,0,0,0|1,0,1]=4 4825 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [1,1,0,0,0,0|1,0,1]=4 4826 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [1,1,0,0,0,0|1,0,1]=4 4827 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [1,1,0,0,0,0|1,0,1]=4 4828 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [1,1,0,0,0,0|1,0,1]=4 4829 B8R0.7 CCC#CCNC(C)C 2230a_100138425928_100009813939 [1,1,0,0,0,0|1,0,1]=4 4830 B8R0.7 CCC#CCNC(C)C 34a_100138425928_100009813939 [1,1,0,0,0,0|1,0,1]=4 4831 B8R0.7 CCC#CCOC(C)C 34a_100000032950_100000210206 [1,1,0,0,0,0|1,0,1]=4 4832 B8R0.7 CCC#CCOC(C)C 34a_100000212225_100009813939 [1,1,0,0,0,0|1,0,1]=4 4833 B8R0.7 CCC#CCSC(C)C 62a_100000210206_100009813939 [1,1,0,0,0,0|1,0,1]=4 4834 B8R0.7 CCC#CCSC(C)C 62a_100009813939_100000210206 [1,1,0,0,0,0|1,0,1]=4 4835 B8R0.7 CCCC=NNC(C)C 4a_100000741168_100000185831 [1,1,0,0,0,0|1,0,1]=4 4836 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|1,0,1]=4 4837 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|1,0,1]=4 4838 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,1,0,0,0,0|1,0,1]=4 4839 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 4840 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,1,0,0,0,0|1,0,1]=4 4841 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 4842 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 4843 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 4844 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,1,0,0,0,0|0,0,1]=3 4845 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,1,0,0,0,0|0,0,1]=3 4846 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,1,0,0,0,0|0,0,1]=3 4847 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,1,0,0,0,0|0,0,1]=3 4848 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,1,0,0,0,0|0,0,1]=3 4849 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,1,0,0,0,0|0,0,1]=3 4850 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,1,0,0,0,0|0,0,1]=3 4851 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,1,0,0,0,0|0,0,1]=3 4852 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,1,0,0,0,0|0,0,1]=3 4853 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,1,0,0,0,0|0,0,1]=3 4854 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,1,0,0,0,0|0,0,1]=3 4855 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,1,0,0,0,0|0,0,1]=3 4856 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,1,0,0,0,0|0,0,1]=3 4857 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,1,0,0,0,0|1,0,1]=4 4858 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,1,0,0,0,0|1,0,1]=4 4859 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,1]=4 4860 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,1,0,0,0,0|1,0,1]=4 4861 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,1,0,0,0,0|1,0,1]=4 4862 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,1,0,0,0,0|1,0,1]=4 4863 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [1,1,0,0,0,0|1,0,1]=4 4864 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,1,0,0,0,0|0,0,1]=3 4865 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,1,0,0,0,0|0,0,1]=3 4866 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,1,0,0,0,0|0,0,1]=3 4867 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [1,1,0,0,0,0|1,0,1]=4 4868 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 4869 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 4870 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [1,1,0,0,0,0|1,0,1]=4 4871 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [1,1,0,0,0,0|1,0,1]=4 4872 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [1,1,0,0,0,0|1,0,1]=4 4873 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [1,1,0,0,0,0|1,0,1]=4 4874 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 4875 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 4876 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,1,0,0,0,0|0,0,1]=3 4877 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,1,0,0,0,0|0,0,1]=3 4878 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,1,0,0,0,0|1,0,1]=4 4879 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,1,0,0,0,0|1,0,1]=4 4880 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,1,0,0,0,0|1,0,1]=4 4881 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,1,0,0,0,0|1,0,1]=4 4882 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [1,1,0,0,0,0|0,0,1]=3 4883 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,1,0,0,0,0|0,0,1]=3 4884 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,1,0,0,0,0|1,0,1]=4 4885 B8R0.7 CCCNN=CC(C)C 4a_100000740057_100000210432 [1,1,0,0,0,0|1,0,0]=3 4886 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,1,0,0,0,0|0,0,1]=3 4887 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,1,0,0,0,0|0,0,1]=3 4888 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,1,0,0,0,0|1,0,1]=4 4889 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,1,0,0,0,0|0,0,1]=3 4890 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,1,0,0,0,0|0,0,1]=3 4891 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,1,0,0,0,0|0,0,1]=3 4892 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|1,0,1]=4 4893 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [1,1,0,0,0,0|1,0,1]=4 4894 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [1,1,0,0,0,0|1,0,1]=4 4895 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,1,0,0,0,0|1,0,1]=4 4896 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [1,1,0,0,0,0|1,0,0]=3 4897 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [1,1,0,0,0,0|0,0,1]=3 4898 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [1,1,0,0,0,0|0,0,1]=3 4899 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,1,0,0,0,0|0,0,1]=3 4900 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,1,0,0,0,0|0,0,1]=3 4901 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,1,0,0,0,0|1,0,1]=4 4902 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,1,0,0,0,0|1,0,1]=4 4903 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [1,1,0,0,0,0|1,0,1]=4 4904 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [1,1,0,0,0,0|1,0,0]=3 4905 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [1,1,0,0,0,0|1,0,0]=3 4906 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,1,0,0,0,0|0,0,1]=3 4907 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,1,0,0,0,0|0,0,1]=3 4908 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,1,0,0,0,0|0,0,1]=3 4909 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,1,0,0,0,0|0,0,1]=3 4910 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,1,0,0,0,0|1,0,1]=4 4911 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [1,1,0,0,0,0|1,0,0]=3 4912 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [1,1,0,0,0,0|1,0,0]=3 4913 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [1,1,0,0,0,0|1,0,0]=3 4914 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [1,1,0,0,0,0|1,0,0]=3 4915 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [1,1,0,0,0,0|1,0,0]=3 4916 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [1,1,0,0,0,0|1,0,0]=3 4917 B8R0.7 CCNN=CCC(C)C 4a_100000756455_100000185833 [1,1,0,0,0,0|2,0,0]=4 4918 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,1,0,0,0,0|0,0,1]=3 4919 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,1,0,0,0,0|0,0,1]=3 4920 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,1,0,0,0,0|0,0,1]=3 4921 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,1,0,0,0,0|0,0,1]=3 4922 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|1,0,1]=4 4923 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [1,1,0,0,0,0|1,0,1]=4 4924 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [1,1,0,0,0,0|1,0,1]=4 4925 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [1,1,0,0,0,0|1,0,0]=3 4926 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [1,1,0,0,0,0|1,0,0]=3 4927 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [1,1,0,0,0,0|1,0,0]=3 4928 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [1,1,0,0,0,0|1,0,0]=3 4929 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [1,1,0,0,0,0|1,0,0]=3 4930 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [1,1,0,0,0,0|1,0,0]=3 4931 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [1,1,0,0,0,0|1,0,0]=3 4932 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [1,1,0,0,0,0|1,0,0]=3 4933 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [1,1,0,0,0,0|1,0,0]=3 4934 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [1,1,0,0,0,0|1,0,0]=3 4935 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [1,1,0,0,0,0|1,0,0]=3 4936 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [1,1,0,0,0,0|1,0,0]=3 4937 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [1,1,0,0,0,0|1,0,0]=3 4938 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [1,1,0,0,0,0|1,0,0]=3 4939 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [1,1,0,0,0,0|1,0,0]=3 4940 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [1,1,0,0,0,0|1,0,0]=3 4941 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [1,1,0,0,0,0|1,0,1]=4 4942 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [1,1,0,0,0,0|1,0,1]=4 4943 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,1,0,0,0,0|0,0,1]=3 4944 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,1,0,0,0,0|0,0,1]=3 4945 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,1,0,0,0,0|0,0,1]=3 4946 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,1,0,0,0,0|0,0,1]=3 4947 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,1,0,0,0,0|1,0,1]=4 4948 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,1,0,0,0,0|1,0,1]=4 4949 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [1,1,0,0,0,0|1,0,1]=4 4950 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [1,1,0,0,0,0|1,0,0]=3 4951 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [1,1,0,0,0,0|1,0,0]=3 4952 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [1,1,0,0,0,0|1,0,0]=3 4953 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [1,1,0,0,0,0|1,0,0]=3 4954 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [1,1,0,0,0,0|1,0,0]=3 4955 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [1,1,0,0,0,0|1,0,0]=3 4956 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [1,1,0,0,0,0|1,0,0]=3 4957 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [1,1,0,0,0,0|1,0,0]=3 4958 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [1,1,0,0,0,0|1,0,0]=3 4959 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [1,1,0,0,0,0|1,0,0]=3 4960 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [1,1,0,0,0,0|1,0,0]=3 4961 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [1,1,0,0,0,0|1,0,0]=3 4962 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [1,1,0,0,0,0|1,0,1]=4 4963 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [1,1,0,0,0,0|1,0,1]=4 4964 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [1,1,0,0,0,0|1,0,1]=4 4965 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [1,1,0,0,0,0|1,0,1]=4 4966 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [1,1,0,0,0,0|1,0,1]=4 4967 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [1,1,0,0,0,0|1,0,1]=4 4968 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [1,1,0,0,0,0|1,0,1]=4 4969 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [1,1,0,0,0,0|1,0,1]=4 4970 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [1,1,0,0,0,0|1,0,1]=4 4971 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,1,0,0,0,0|0,0,1]=3 4972 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,1,0,0,0,0|0,0,1]=3 4973 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,1,0,0,0,0|0,0,1]=3 4974 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [1,1,0,0,0,0|1,0,0]=3 4975 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [1,1,0,0,0,0|1,0,0]=3 4976 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [1,1,0,0,0,0|1,0,0]=3 4977 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,0,0,0,0|0,0,1]=3 4978 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,0,0,0,0|0,0,1]=3 4979 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,0,0,0,0|0,0,1]=3 4980 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [1,1,0,0,0,0|1,0,1]=4 4981 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [1,1,0,0,0,0|1,0,1]=4 4982 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [1,1,0,0,0,0|1,0,0]=3 4983 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [1,1,0,0,0,0|1,0,0]=3 4984 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [1,1,0,0,0,0|1,0,0]=3 4985 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [1,1,0,0,0,0|1,0,0]=3 4986 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [1,1,0,0,0,0|1,0,0]=3 4987 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [1,1,0,0,0,0|1,0,0]=3 4988 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [1,1,0,0,0,0|1,0,0]=3 4989 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [1,1,0,0,0,0|1,0,0]=3 4990 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [1,1,0,0,0,0|1,0,1]=4 4991 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [1,1,0,0,0,0|1,0,1]=4 4992 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [1,1,0,0,0,0|1,0,1]=4 4993 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [1,1,0,0,0,0|1,0,1]=4 4994 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [1,1,0,0,0,0|1,0,1]=4 4995 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [1,1,0,0,0,0|1,0,1]=4 4996 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [1,1,0,0,0,0|1,0,1]=4 4997 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [1,1,0,0,0,0|1,0,1]=4 4998 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [1,1,0,0,0,0|1,0,1]=4 4999 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [1,1,0,0,0,0|1,0,1]=4 5000 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [1,1,0,0,0,0|1,0,1]=4 5001 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [1,1,0,0,0,0|1,0,1]=4 5002 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [1,1,0,0,0,0|1,0,1]=4 5003 B8R0.7 COCSCC=C(C)C 62a_100000761012_100000766300 [1,1,0,0,0,0|1,0,1]=4 5004 B8R0.7 COCSCC=C(C)C 62a_100000766300_100000761012 [1,1,0,0,0,0|1,0,1]=4 5005 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [1,1,0,0,0,0|1,0,1]=4 5006 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [1,1,0,0,0,0|1,0,1]=4 5007 B8R0.7 COCSCOC(C)C 62a_100000709892_100000766300 [1,1,0,0,0,0|2,0,0]=4 5008 B8R0.7 COCSCOC(C)C 62a_100000766300_100000709892 [1,1,0,0,0,0|2,0,0]=4 5009 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|0,0,1]=3 5010 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|0,0,1]=3 5011 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [1,1,0,0,0,0|1,0,1]=4 5012 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [1,1,0,0,0,0|1,0,0]=3 5013 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [1,1,0,0,0,0|1,0,0]=3 5014 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [1,1,0,0,0,0|1,0,0]=3 5015 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [1,1,0,0,0,0|1,0,1]=4 5016 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [1,1,0,0,0,0|1,0,1]=4 5017 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [1,1,0,0,0,0|1,0,1]=4 5018 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [1,1,0,0,0,0|1,0,1]=4 5019 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [1,1,0,0,0,0|1,0,1]=4 5020 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [1,1,0,0,0,0|1,0,1]=4 5021 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [1,1,0,0,0,0|1,0,1]=4 5022 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [1,1,0,0,0,0|1,0,1]=4 5023 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [1,1,0,0,0,0|1,0,1]=4 5024 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [1,1,0,0,0,0|1,0,1]=4 5025 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [1,1,0,0,0,0|1,0,1]=4 5026 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [1,1,0,0,0,0|1,0,1]=4 5027 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [1,1,0,0,0,0|1,0,1]=4 5028 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [1,1,0,0,0,0|1,0,1]=4 5029 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [1,1,0,0,0,0|1,0,1]=4 5030 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [1,1,0,0,0,0|1,0,1]=4 5031 B8R0.7 CSCSCOC(C)C 62a_100000709892_100011218213 [1,1,0,0,0,0|2,0,0]=4 5032 B8R0.7 CSCSCOC(C)C 62a_100011218213_100000709892 [1,1,0,0,0,0|2,0,0]=4 5033 B8R0.21 CC(C)(C)NCCCF 2230a_100000715429_100011934791 [1,1,0,0,0,0|2,0,0]=4 5034 B8R0.21 CC(C)(C)NCCCF 34a_100015189416_100000210625 [1,1,0,0,0,0|2,0,0]=4 5035 B8R0.21 CC(C)(C)NCCCO 2230a_100000715429_100000230001 [1,1,0,0,0,0|2,0,0]=4 5036 B8R0.21 CC(C)(C)OCCCBr 34a_100011217188_100000210625 [1,1,0,0,0,0|2,0,0]=4 5037 B8R0.21 CC(C)(C)OCCCCl 34a_100000230001_100000210625 [1,1,0,0,0,0|2,0,0]=4 5038 B8R0.21 CC(C)(C)OCCCF 34a_100000759539_100000210625 [1,1,0,0,0,0|2,0,0]=4 5039 B8R0.21 CC(C)(C)OCCCF 34a_100015890283_100011934791 [1,1,0,0,0,0|2,0,0]=4 5040 B8R0.21 CC(C)(C)OCCCF 7a_100015890283_100011934791 [1,1,0,0,0,0|2,0,0]=4 5041 B8R0.21 CC(C)(C)OCCCN 34a_100000182051_100000210625 [1,1,0,0,0,0|2,0,0]=4 5042 B8R0.21 CC(C)(C)OCCCO 34a_100015890283_100000230001 [1,1,0,0,0,0|2,0,0]=4 5043 B8R0.21 CC(C)(C)OCCCO 7a_100015890283_100011215043 [1,1,0,0,0,0|2,0,0]=4 5044 B8R0.21 CC(C)(C)OCCN[13CH3] 2230a_100000747557_200025704644 [1,1,0,0,0,0|2,0,0]=4 5045 B8R0.21 CC(C)(C)OCCO[13CH3] 34a_100000693234_200025704644 [1,1,0,0,0,0|2,0,0]=4 5046 B8R0.21 CC(C)(C)OCCO[13CH3] 7a_100000693234_200025704644 [1,1,0,0,0,0|2,0,0]=4 5047 B8R0.21 CC(C)(C)SCCCF 62a_100000211941_100011934791 [1,1,0,0,0,0|2,0,0]=4 5048 B8R0.21 CC(C)(C)SCCCF 62a_100011934791_100000211941 [1,1,0,0,0,0|2,0,0]=4 5049 B8R0.21 CC(C)(C)SCCCO 62a_100000211941_100011215043 [1,1,0,0,0,0|2,0,0]=4 5050 B8R0.21 CC(C)(C)SCCCO 62a_100011215043_100000211941 [1,1,0,0,0,0|2,0,0]=4 5051 B8R0.21 CC(C)(C)SCCN[13CH3] 2230a_100000689375_200025704644 [1,1,0,0,0,0|2,0,0]=4 5052 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [1,1,0,0,0,0|1,0,1]=4 5053 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [1,1,0,0,0,0|1,0,1]=4 5054 B8R0.21 CCCCNC(C)(C)C 2230a_100000715429_100000210211 [1,1,0,0,0,0|1,0,0]=3 5055 B8R0.21 CCCCOC(C)(C)C 34a_100000210227_100000210625 [1,1,0,0,0,0|1,0,0]=3 5056 B8R0.21 CCCCOC(C)(C)C 34a_100015890283_100000210210 [1,1,0,0,0,0|1,0,0]=3 5057 B8R0.21 CCCCOC(C)(C)C 7a_100015890283_100000210211 [1,1,0,0,0,0|1,0,0]=3 5058 B8R0.21 CCCCSC(C)(C)C 62a_100000210211_100000211941 [1,1,0,0,0,0|1,0,0]=3 5059 B8R0.21 CCCCSC(C)(C)C 62a_100000211941_100000210210 [1,1,0,0,0,0|1,0,0]=3 5060 B8R0.21 CCCNCC(C)(C)C 2230a_100000743828_100000210303 [1,1,0,0,0,0|1,0,1]=4 5061 B8R0.21 CCCNCC(C)(C)C 270004a_100020643023_100011204126 [1,1,0,0,0,0|1,0,1]=4 5062 B8R0.21 CCCNCC(C)(C)F 2230a_100020643315_100000210303 [1,1,0,0,0,0|1,0,1]=4 5063 B8R0.21 CCCNCC(C)(C)O 2230a_100000751335_100000210303 [1,1,0,0,0,0|1,0,1]=4 5064 B8R0.21 CCCOCC(C)(C)C 34a_100000210258_100011219605 [1,1,0,0,0,0|1,0,1]=4 5065 B8R0.21 CCCOCC(C)(C)F 34a_100000210258_100011997219 [1,1,0,0,0,0|1,0,1]=4 5066 B8R0.21 CCCOCC(C)(C)F 34a_100000716592_100000210303 [1,1,0,0,0,0|1,0,1]=4 5067 B8R0.21 CCCOCC(C)(C)O 34a_100000210258_100000764493 [1,1,0,0,0,0|1,0,1]=4 5068 B8R0.21 CCCSCC(C)(C)C 62a_100000210303_100011219605 [1,1,0,0,0,0|1,0,1]=4 5069 B8R0.21 CCCSCC(C)(C)C 62a_100011219605_100000210303 [1,1,0,0,0,0|1,0,1]=4 5070 B8R0.21 CCCSCC(C)(C)F 62a_100000210303_100011997219 [1,1,0,0,0,0|1,0,1]=4 5071 B8R0.21 CCCSCC(C)(C)F 62a_100011997219_100000210303 [1,1,0,0,0,0|1,0,1]=4 5072 B8R0.21 CCCSCC(C)(C)O 62a_100000210303_100000764493 [1,1,0,0,0,0|1,0,1]=4 5073 B8R0.21 CCCSCC(C)(C)O 62a_100000764493_100000210303 [1,1,0,0,0,0|1,0,1]=4 5074 B8R0.21 CCNCCC(C)(C)C 2230a_100000738805_100000210202 [1,1,0,0,0,0|1,0,1]=4 5075 B8R0.21 CCNCCC(C)(C)C 2230a_100015525214_100000755188 [1,1,0,0,0,0|1,0,1]=4 5076 B8R0.21 CCNCCC(C)(C)F 2230a_100016253952_100000210202 [1,1,0,0,0,0|1,0,1]=4 5077 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [1,1,0,0,0,0|1,0,1]=4 5078 B8R0.21 CCOCCC(C)(C)C 34a_100121572206_100000755188 [1,1,0,0,0,0|1,0,1]=4 5079 B8R0.21 CCOCCC(C)(C)C 7a_100000765024_100000210202 [1,1,0,0,0,0|1,0,1]=4 5080 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [1,1,0,0,0,0|1,0,1]=4 5081 B8R0.21 CCOCSC(C)(C)C 62a_100000211941_100000739092 [1,1,0,0,0,0|2,0,0]=4 5082 B8R0.21 CCOCSC(C)(C)C 62a_100000739092_100000211941 [1,1,0,0,0,0|2,0,0]=4 5083 B8R0.21 CCSCCC(C)(C)C 62a_100000210202_100000755188 [1,1,0,0,0,0|1,0,1]=4 5084 B8R0.21 CCSCCC(C)(C)C 62a_100000755188_100000210202 [1,1,0,0,0,0|1,0,1]=4 5085 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [1,1,0,0,0,0|1,0,1]=4 5086 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [1,1,0,0,0,0|1,0,1]=4 5087 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [1,1,0,0,0,0|1,0,1]=4 5088 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [1,1,0,0,0,0|1,0,1]=4 5089 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [1,1,0,0,0,0|1,0,1]=4 5090 B8R0.21 CNCCOC(C)(C)C 2230a_100000747557_200000210301 [1,1,0,0,0,0|2,0,0]=4 5091 B8R0.21 CNCCSC(C)(C)C 2230a_100000689375_200000210301 [1,1,0,0,0,0|2,0,0]=4 5092 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [1,1,0,0,0,0|1,0,1]=4 5093 B8R0.21 COCCNC(C)(C)C 2230a_100000715429_100011201679 [1,1,0,0,0,0|2,0,0]=4 5094 B8R0.21 COCCOC(C)(C)C 34a_100000210237_100000210625 [1,1,0,0,0,0|2,0,0]=4 5095 B8R0.21 COCCOC(C)(C)C 34a_100000693234_200000210301 [1,1,0,0,0,0|2,0,0]=4 5096 B8R0.21 COCCOC(C)(C)C 34a_100015890283_100011201679 [1,1,0,0,0,0|2,0,0]=4 5097 B8R0.21 COCCOC(C)(C)C 7a_100000693234_200000210301 [1,1,0,0,0,0|2,0,0]=4 5098 B8R0.21 COCCOC(C)(C)C 7a_100015890283_100000233755 [1,1,0,0,0,0|2,0,0]=4 5099 B8R0.21 COCCSC(C)(C)C 62a_100000211941_100000233755 [1,1,0,0,0,0|2,0,0]=4 5100 B8R0.21 COCCSC(C)(C)C 62a_100000233755_100000211941 [1,1,0,0,0,0|2,0,0]=4 5101 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [1,1,0,0,0,0|1,0,1]=4 5102 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [1,1,0,0,0,0|1,0,1]=4 5103 B8R0.21 CSCCNC(C)(C)C 2230a_100000715429_100000751147 [1,1,0,0,0,0|2,0,0]=4 5104 B8R0.21 CSCCOC(C)(C)C 34a_100000230434_100000210625 [1,1,0,0,0,0|2,0,0]=4 5105 B8R0.21 CSCCOC(C)(C)C 34a_100015890283_100000212216 [1,1,0,0,0,0|2,0,0]=4 5106 B8R0.21 CSCCOC(C)(C)C 7a_100015890283_100000212216 [1,1,0,0,0,0|2,0,0]=4 5107 B8R0.21 CSCCSC(C)(C)C 62a_100000211941_100000751147 [1,1,0,0,0,0|2,0,0]=4 5108 B8R0.21 CSCCSC(C)(C)C 62a_100000212216_100000211941 [1,1,0,0,0,0|2,0,0]=4 5109 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [1,1,0,0,0,0|1,0,1]=4 5110 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [1,1,0,0,0,0|1,0,1]=4 5111 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [1,1,0,0,0,0|1,0,1]=4 5112 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [1,1,0,0,0,0|1,0,1]=4 5113 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [1,1,0,0,0,0|1,0,1]=4 5114 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [1,1,0,0,0,0|1,0,1]=4 5115 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [1,1,0,0,0,0|1,0,1]=4 5116 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [1,1,0,0,0,0|1,0,1]=4 5117 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [1,1,0,0,0,0|1,0,1]=4 5118 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [1,1,0,0,0,0|1,0,1]=4 5119 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [1,1,0,0,0,0|1,0,1]=4 5120 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [1,1,0,0,0,0|1,0,1]=4 5121 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [1,1,0,0,0,0|1,0,1]=4 5122 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [1,1,0,0,0,0|1,0,1]=4 5123 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [1,1,0,0,0,0|1,0,1]=4 5124 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,1,0,0,0,0|0,0,2]=4 5125 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,1,0,0,0,0|0,0,2]=4 5126 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|0,0,2]=4 5127 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|0,0,2]=4 5128 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|1,0,1]=4 5129 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|1,0,1]=4 5130 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|1,0,1]=4 5131 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|1,0,1]=4 5132 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|1,0,1]=4 5133 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|1,0,1]=4 5134 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [1,1,0,0,0,0|1,0,0]=3 5135 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,1,0,0,0,0|0,0,2]=4 5136 B8R0.28 CC(C)C=NNC(C)C 4a_100000741168_100000210432 [1,1,0,0,0,0|2,0,0]=4 5137 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|0,0,2]=4 5138 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [1,1,0,0,0,0|1,0,1]=4 5139 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [1,1,0,0,0,0|1,0,1]=4 5140 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [1,1,0,0,0,0|1,0,0]=3 5141 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [1,1,0,0,0,0|1,0,0]=3 5142 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [1,1,0,0,0,0|1,0,0]=3 5143 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [1,1,0,0,0,0|1,0,0]=3 5144 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [1,1,0,0,0,0|1,0,0]=3 5145 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [1,1,0,0,0,0|1,0,0]=3 5146 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [1,1,0,0,0,0|1,0,0]=3 5147 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [1,1,0,0,0,0|1,0,1]=4 5148 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [1,1,0,0,0,0|1,0,1]=4 5149 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [1,1,0,0,0,0|1,0,1]=4 5150 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [1,1,0,0,0,0|1,0,1]=4 5151 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [1,1,0,0,0,0|1,0,1]=4 5152 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [1,1,0,0,0,0|1,0,1]=4 5153 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [1,1,0,0,0,0|1,0,1]=4 5154 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [1,1,0,0,0,0|1,0,1]=4 5155 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [1,1,0,0,0,0|1,0,1]=4 5156 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [1,1,0,0,0,0|1,0,1]=4 5157 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [1,1,0,0,0,0|1,0,1]=4 5158 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [1,1,0,0,0,0|1,0,1]=4 5159 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [1,1,0,0,0,0|1,0,1]=4 5160 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [1,1,0,0,0,0|1,0,1]=4 5161 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [1,1,0,0,0,0|1,0,1]=4 5162 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [1,1,0,0,0,0|1,0,1]=4 5163 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [1,1,0,0,0,0|1,0,1]=4 5164 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [1,1,0,0,0,0|1,0,1]=4 5165 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [1,1,0,0,0,0|1,0,1]=4 5166 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [1,1,0,0,0,0|1,0,1]=4 5167 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [1,1,0,0,0,0|1,0,1]=4 5168 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [1,1,0,0,0,0|1,0,1]=4 5169 B8R0.28 CC(C)NCOC(C)C 2230a_100138425928_100000709892 [1,1,0,0,0,0|2,0,0]=4 5170 B8R0.28 CC(C)NCOC(C)C 34a_100138425928_100000709892 [1,1,0,0,0,0|2,0,0]=4 5171 B8R0.28 CC(C)OCCC(F)F 34a_100103093639_100000210206 [1,1,0,0,0,0|2,0,0]=4 5172 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [1,1,0,0,0,0|2,0,0]=4 5173 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [1,1,0,0,0,0|2,0,0]=4 5174 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [1,1,0,0,0,0|1,0,0]=3 5175 B8R0.28 CC(C)OCOC(C)C 34a_100000212225_100000709892 [1,1,0,0,0,0|2,0,0]=4 5176 B8R0.28 CC(C)OCSC(C)C 62a_100000210206_100000709892 [1,1,0,0,0,0|2,0,0]=4 5177 B8R0.28 CC(C)OCSC(C)C 62a_100000709892_100000210206 [1,1,0,0,0,0|2,0,0]=4 5178 B8R0.28 CC(C)SCCN(C)C 2230a_100102631434_100000730970 [1,1,0,0,0,0|2,0,0]=4 5179 B8R0.28 CC(C)SCCN(C)C 269982a_100102631434_100000730970 [1,1,0,0,0,0|2,0,0]=4 5180 B8R0.28 CC(C)SCCN(C)C 62a_100000210206_100000755713 [1,1,0,0,0,0|2,0,0]=4 5181 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [1,1,0,0,0,0|1,0,1]=4 5182 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [1,1,0,0,0,0|1,0,1]=4 5183 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [1,1,0,0,0,0|1,0,0]=3 5184 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [1,1,0,0,0,0|1,0,0]=3 5185 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [1,1,0,0,0,0|1,0,0]=3 5186 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [1,1,0,0,0,0|1,0,0]=3 5187 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [1,1,0,0,0,0|1,0,0]=3 5188 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [1,1,0,0,0,0|1,0,0]=3 5189 B8R0.2 C#CC(C)C(=O)C(C)C 1458a_100000210198_200000035995 [1,1,0,0,0,0|0,0,2]=4 5190 B8R0.2 C/C=C(\C)/C(=O)C(C)C 1458a_100020587367_100000210206 [1,1,0,0,0,0|0,0,2]=4 5191 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [1,1,0,0,0,0|0,0,2]=4 5192 B8R0.2 C=CC(C)C(=O)C(C)C 1458a_100011216780_100000210206 [1,1,0,0,0,0|0,0,2]=4 5193 B8R0.2 CC(C)C(=O)C(C)C#N 1458a_100000210198_100000703298 [1,1,0,0,0,0|1,0,1]=4 5194 B8R0.2 CC(C)C(=O)C(C)C#N 1458a_100000753662_100000210206 [1,1,0,0,0,0|1,0,1]=4 5195 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_100009893295_200025704644 [1,1,0,0,0,0|1,0,0]=3 5196 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_200025704644_100009893295 [1,1,0,0,0,0|1,0,0]=3 5197 B8R0.2 CC(C)C(=O)C(O)CO 1458a_100011215603_100000210206 [1,1,0,0,0,0|1,0,0]=3 5198 B8R0.2 CC(S[13CH3])C(=O)N(C)C 62a_100000209910_200025704644 [1,1,0,0,0,0|2,0,0]=4 5199 B8R0.2 CC(S[13CH3])C(=O)N(C)C 62a_200025704644_100000209910 [1,1,0,0,0,0|2,0,0]=4 5200 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [1,1,0,0,0,0|1,0,1]=4 5201 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [1,1,0,0,0,0|0,0,0]=2 5202 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [1,1,0,0,0,0|0,0,0]=2 5203 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [1,1,0,0,0,0|1,0,0]=3 5204 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [1,1,0,0,0,0|2,0,0]=4 5205 B8R0.2 CCC(C)C(=O)N(C)C 11a_100102631434_100011192722 [1,1,0,0,0,0|1,0,0]=3 5206 B8R0.2 CCC(C)C(=O)N(C)C 1626a_100102631434_100011192722 [1,1,0,0,0,0|1,0,0]=3 5207 B8R0.2 CCC(C)C(=O)N(C)C 240690a_100102631434_100011192722 [1,1,0,0,0,0|1,0,0]=3 5208 B8R0.2 CCC(C)C(=O)N(C)C 527a_100102631434_100011192722 [1,1,0,0,0,0|1,0,0]=3 5209 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [1,1,0,0,0,0|1,0,0]=3 5210 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [1,1,0,0,0,0|1,0,0]=3 5211 B8R0.2 CCC(C)N(C)C(C)C 2230a_100000741768_100000210206 [1,1,0,0,0,0|2,0,0]=4 5212 B8R0.2 CCC(C)N(C)C(C)C 269982a_100000741768_100000210206 [1,1,0,0,0,0|2,0,0]=4 5213 B8R0.2 CCC(C)N(C)C(C)C 269982a_200000211004_100000758301 [1,1,0,0,0,0|2,0,0]=4 5214 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [1,1,0,0,0,0|0,0,0]=2 5215 B8R0.2 CCC(O)C(=O)N(C)C 240690a_100102631434_100011196387 [1,1,0,0,0,0|1,0,0]=3 5216 B8R0.2 CCN(C)C(=O)C(C)C 11a_100000225621_100000210198 [1,1,0,0,0,0|1,0,0]=3 5217 B8R0.2 CCN(C)C(=O)C(C)C 1626a_100000225621_100000210198 [1,1,0,0,0,0|1,0,0]=3 5218 B8R0.2 CCN(C)C(=O)C(C)C 240690a_100000225621_100000210198 [1,1,0,0,0,0|1,0,0]=3 5219 B8R0.2 CCN(C)C(=O)C(C)C 527a_100000225621_100000210198 [1,1,0,0,0,0|1,0,0]=3 5220 B8R0.2 CCN(C)C(=O)C(C)F 11a_100000225621_100000062450 [1,1,0,0,0,0|2,0,0]=4 5221 B8R0.2 CCN(C)C(=O)C(C)F 1626a_100000225621_100000062450 [1,1,0,0,0,0|2,0,0]=4 5222 B8R0.2 CCN(C)C(=O)C(C)F 240690a_100000225621_100000062450 [1,1,0,0,0,0|2,0,0]=4 5223 B8R0.2 CCN(C)C(=O)C(C)F 527a_100000225621_100000062450 [1,1,0,0,0,0|2,0,0]=4 5224 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [1,1,0,0,0,0|2,0,0]=4 5225 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [1,1,0,0,0,0|2,0,0]=4 5226 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [1,1,0,0,0,0|2,0,0]=4 5227 B8R0.2 CN(C)C(=O)C(O)CO 240690a_100102631434_100011215603 [1,1,0,0,0,0|2,0,0]=4 5228 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [1,1,0,0,0,0|1,0,1]=4 5229 B8R0.2 CNC(C)C(=O)C(C)C 2230a_106832991635_100009893295 [1,1,0,0,0,0|1,0,0]=3 5230 B8R0.2 CNC(C)C(=O)C(C)C 7a_106832991635_100009893295 [1,1,0,0,0,0|1,0,0]=3 5231 B8R0.2 CNC(C)C(=O)N(C)C 2230a_106832991635_100000209910 [1,1,0,0,0,0|2,0,0]=4 5232 B8R0.2 CNC(C)C(=O)N(C)C 7a_106832991635_100000209910 [1,1,0,0,0,0|2,0,0]=4 5233 B8R0.2 CN[C@@H](C)C(=O)N(C)C 2230a_100000697320_200000210301 [1,1,0,0,0,0|2,0,0]=4 5234 B8R0.2 CN[C@@H](C)C(=O)N(C)C 34a_100000697320_200000210301 [1,1,0,0,0,0|2,0,0]=4 5235 B8R0.2 COC(C)C(=O)C(C)C 1458a_100000743197_100000210206 [1,1,0,0,0,0|1,0,0]=3 5236 B8R0.2 COC(C)C(=O)N(C)C 11a_100102631434_100000743197 [1,1,0,0,0,0|2,0,0]=4 5237 B8R0.2 COC(C)C(=O)N(C)C 1626a_100102631434_100000743197 [1,1,0,0,0,0|2,0,0]=4 5238 B8R0.2 COC(C)C(=O)N(C)C 240690a_100102631434_100000743197 [1,1,0,0,0,0|2,0,0]=4 5239 B8R0.2 COC(C)C(=O)N(C)C 527a_100102631434_100000743197 [1,1,0,0,0,0|2,0,0]=4 5240 B8R0.2 CSC(C)C(=O)C(C)C 1458a_100000149566_100000210206 [1,1,0,0,0,0|1,0,0]=3 5241 B8R0.2 CSC(C)C(=O)C(C)C 62a_100009893295_200000210301 [1,1,0,0,0,0|1,0,0]=3 5242 B8R0.2 CSC(C)C(=O)C(C)C 62a_200000210301_100009893295 [1,1,0,0,0,0|1,0,0]=3 5243 B8R0.2 CSC(C)C(=O)N(C)C 11a_100102631434_100000149566 [1,1,0,0,0,0|2,0,0]=4 5244 B8R0.2 CSC(C)C(=O)N(C)C 1626a_100102631434_100000149566 [1,1,0,0,0,0|2,0,0]=4 5245 B8R0.2 CSC(C)C(=O)N(C)C 240690a_100102631434_100000149566 [1,1,0,0,0,0|2,0,0]=4 5246 B8R0.2 CSC(C)C(=O)N(C)C 527a_100102631434_100000149566 [1,1,0,0,0,0|2,0,0]=4 5247 B8R0.2 CSC(C)C(=O)N(C)C 62a_100000209910_200000210301 [1,1,0,0,0,0|2,0,0]=4 5248 B8R0.2 CSC(C)C(=O)N(C)C 62a_200000210301_100000209910 [1,1,0,0,0,0|2,0,0]=4 5249 B8R0.2 C[C@H](N[13CH3])C(=O)N(C)C 2230a_100000697320_200025704644 [1,1,0,0,0,0|2,0,0]=4 5250 B8R0.2 C[C@H](N[13CH3])C(=O)N(C)C 34a_100000697320_200025704644 [1,1,0,0,0,0|2,0,0]=4 5251 B8R0.12 CCCS(=O)(=O)N(C)C 270084a_100102631434_100000211391 [1,1,0,0,0,0|2,0,0]=4 5252 B8R0.12 CCCS(=O)(=O)N(C)C 274078a_100102631434_100000211391 [1,1,0,0,0,0|2,0,0]=4 5253 B8R0.12 CCCS(=O)(=O)N(C)C 40a_100102631434_100000054278 [1,1,0,0,0,0|2,0,0]=4 5254 B8R0.12 CCNS(=O)(=O)C(C)C 270084a_100015525214_100000742656 [1,1,0,0,0,0|2,0,0]=4 5255 B8R0.12 CCNS(=O)(=O)C(C)C 274078a_100015525214_100000742656 [1,1,0,0,0,0|2,0,0]=4 5256 B8R0.14 C#CCC(=O)C(C)(C)C 1458a_106744555173_100000184674 [1,1,0,0,0,0|0,0,2]=4 5257 B8R0.14 C#CCC(=O)C(C)(C)F 1458a_100000765255_100000184674 [1,1,0,0,0,0|0,0,2]=4 5258 B8R0.14 C#CCC(=O)C(C)(C)O 1458a_100000242741_100000184674 [1,1,0,0,0,0|0,0,2]=4 5259 B8R0.14 C=CCC(=O)C(C)(C)C 1458a_106744555173_100000210623 [1,1,0,0,0,0|0,0,2]=4 5260 B8R0.14 C=CCC(=O)C(C)(C)F 1458a_100000765255_100000210623 [1,1,0,0,0,0|0,0,2]=4 5261 B8R0.14 C=CCC(=O)C(C)(C)O 1458a_100000242741_100000210623 [1,1,0,0,0,0|0,0,2]=4 5262 B8R0.14 CC(C)(C)C(=O)CC#N 1458a_106744555173_100011214920 [1,1,0,0,0,0|1,0,1]=4 5263 B8R0.14 CC(C)(C)C(=O)CCF 1458a_106744555173_100011217306 [1,1,0,0,0,0|1,0,0]=3 5264 B8R0.14 CC(C)(C)C(=O)CCO 1458a_106744555173_100000211926 [1,1,0,0,0,0|1,0,0]=3 5265 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 34a_200011592769_200025704644 [1,1,0,0,0,0|1,0,0]=3 5266 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 7a_200011592769_200025704644 [1,1,0,0,0,0|1,0,0]=3 5267 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_100000210923_200025704644 [1,1,0,0,0,0|1,0,0]=3 5268 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_200025704644_100000210923 [1,1,0,0,0,0|1,0,0]=3 5269 B8R0.14 CC(C)(F)C(=O)CC#N 1458a_100000765255_100011214920 [1,1,0,0,0,0|1,0,1]=4 5270 B8R0.14 CC(C)(F)C(=O)CCF 1458a_100000765255_100011217306 [1,1,0,0,0,0|1,0,0]=3 5271 B8R0.14 CC(C)(F)C(=O)CCO 1458a_100000765255_100000211926 [1,1,0,0,0,0|1,0,0]=3 5272 B8R0.14 CC(C)(O)C(=O)CC#N 1458a_100000242741_100011214920 [1,1,0,0,0,0|1,0,1]=4 5273 B8R0.14 CC(C)(O)C(=O)CCF 1458a_100000242741_100011217306 [1,1,0,0,0,0|1,0,0]=3 5274 B8R0.14 CC(C)(O)C(=O)CCO 1458a_100000242741_100000211926 [1,1,0,0,0,0|1,0,0]=3 5275 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [1,1,0,0,0,0|0,0,0]=2 5276 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [1,1,0,0,0,0|0,0,0]=2 5277 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [1,1,0,0,0,0|0,0,0]=2 5278 B8R0.14 CCCC(=O)C(F)(F)F 1458a_100000211992_200000243211 [1,1,0,0,0,0|2,0,0]=4 5279 B8R0.14 CCCC(=O)C(F)(F)F 1458a_100015355933_100000210303 [1,1,0,0,0,0|2,0,0]=4 5280 B8R0.14 CCCN(C)C(C)(C)C 2230a_100000743177_200000210301 [1,1,0,0,0,0|2,0,0]=4 5281 B8R0.14 CCCN(C)C(C)(C)C 269982a_100000743177_200000210301 [1,1,0,0,0,0|2,0,0]=4 5282 B8R0.14 CCCN(C)C(C)(C)C 269982a_100000747261_100000210625 [1,1,0,0,0,0|2,0,0]=4 5283 B8R0.14 CCCN(C)C(C)(C)C 269982a_100011215553_100000210303 [1,1,0,0,0,0|2,0,0]=4 5284 B8R0.14 CCCN([13CH3])C(C)(C)C 2230a_100000743177_200025704644 [1,1,0,0,0,0|2,0,0]=4 5285 B8R0.14 CCCN([13CH3])C(C)(C)C 269982a_100000743177_200025704644 [1,1,0,0,0,0|2,0,0]=4 5286 B8R0.14 CCNC(=O)C(C)(C)C 11a_100015525214_106744555173 [1,1,0,0,0,0|1,0,0]=3 5287 B8R0.14 CCNC(=O)C(C)(C)C 240690a_100015525214_106744555173 [1,1,0,0,0,0|1,0,0]=3 5288 B8R0.14 CCNC(=O)C(C)(C)C 527a_100015525214_106744555173 [1,1,0,0,0,0|1,0,0]=3 5289 B8R0.14 CCNC(=O)C(C)(C)F 11a_100015525214_100000765255 [1,1,0,0,0,0|1,0,0]=3 5290 B8R0.14 CCNC(=O)C(C)(C)F 240690a_100015525214_100000765255 [1,1,0,0,0,0|1,0,0]=3 5291 B8R0.14 CCNC(=O)C(C)(C)F 527a_100015525214_100000765255 [1,1,0,0,0,0|1,0,0]=3 5292 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [1,1,0,0,0,0|1,0,0]=3 5293 B8R0.14 CCNC(=O)C(C)(F)F 11a_100015525214_100000042251 [1,1,0,0,0,0|2,0,0]=4 5294 B8R0.14 CCNC(=O)C(C)(F)F 240690a_100015525214_100000042251 [1,1,0,0,0,0|2,0,0]=4 5295 B8R0.14 CCNC(=O)C(C)(F)F 527a_100015525214_100000042251 [1,1,0,0,0,0|2,0,0]=4 5296 B8R0.14 CNCC(=O)C(C)(C)C 34a_100102657272_100000229897 [1,1,0,0,0,0|1,0,0]=3 5297 B8R0.14 CNCC(=O)C(C)(C)C 7a_106832991635_100000210923 [1,1,0,0,0,0|1,0,0]=3 5298 B8R0.14 CNNC(=O)C(C)(C)C 22a_100016993582_106744555173 [1,1,0,0,0,0|2,0,0]=4 5299 B8R0.14 CNNC(=O)C(C)(C)F 22a_100016993582_100000765255 [1,1,0,0,0,0|2,0,0]=4 5300 B8R0.14 CNNC(=O)C(C)(C)O 22a_100016993582_100000242741 [1,1,0,0,0,0|2,0,0]=4 5301 B8R0.14 COCC(=O)C(C)(C)C 34a_100138415774_100000229897 [1,1,0,0,0,0|1,0,0]=3 5302 B8R0.14 COCC(=O)C(C)(C)C 34a_200011592769_200000210301 [1,1,0,0,0,0|1,0,0]=3 5303 B8R0.14 COCC(=O)C(C)(C)C 7a_200011592769_200000210301 [1,1,0,0,0,0|1,0,0]=3 5304 B8R0.14 CSCC(=O)C(C)(C)C 62a_100000210923_200000210301 [1,1,0,0,0,0|1,0,0]=3 5305 B8R0.14 CSCC(=O)C(C)(C)C 62a_200000210301_100000210923 [1,1,0,0,0,0|1,0,0]=3 5306 B8R0.15 CCCC(OC)C(C)C 34a_200011215069_200000210301 [1,1,0,0,0,0|0,0,2]=4 5307 B8R0.15 CCCC(OC)C(C)C 7a_200011215069_200000210301 [1,1,0,0,0,0|0,0,2]=4 5308 B8R0.15 CCCC(O[13CH3])C(C)C 34a_200011215069_200025704644 [1,1,0,0,0,0|0,0,2]=4 5309 B8R0.15 CCCC(O[13CH3])C(C)C 7a_200011215069_200025704644 [1,1,0,0,0,0|0,0,2]=4 5310 B8R0.15 CCCN(CC)C(C)C 2230a_100000223864_100000210303 [1,1,0,0,0,0|2,0,0]=4 5311 B8R0.15 CCCN(CC)C(C)C 2230a_100000226822_100000210206 [1,1,0,0,0,0|2,0,0]=4 5312 B8R0.15 CCCN(CC)C(C)C 2230a_106256033942_100000210202 [1,1,0,0,0,0|2,0,0]=4 5313 B8R0.15 CCCN(CC)C(C)C 269982a_100000223864_100000210303 [1,1,0,0,0,0|2,0,0]=4 5314 B8R0.15 CCCN(CC)C(C)C 269982a_100000226822_100000210206 [1,1,0,0,0,0|2,0,0]=4 5315 B8R0.15 CCCN(CC)C(C)C 269982a_106256033942_100000204670 [1,1,0,0,0,0|2,0,0]=4 5316 B8R0.15 CCCN(CF)C(C)C 269982a_106256033942_100015361967 [1,1,0,0,0,0|2,0,0]=4 5317 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [1,1,0,0,0,0|0,0,2]=4 5318 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [1,1,0,0,0,0|0,0,2]=4 5319 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [1,1,0,0,0,0|0,0,1]=3 5320 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [1,1,0,0,0,0|1,0,1]=4 5321 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [1,1,0,0,0,0|1,0,1]=4 5322 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [1,1,0,0,0,0|1,0,1]=4 5323 B8R0.23 C=C(F)CC(=O)C(C)C 1458a_100000210198_100009893438 [1,1,0,0,0,0|0,0,2]=4 5324 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [1,1,0,0,0,0|0,0,2]=4 5325 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [1,1,0,0,0,0|0,0,2]=4 5326 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [1,1,0,0,0,0|0,0,2]=4 5327 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [1,1,0,0,0,0|0,0,1]=3 5328 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [1,1,0,0,0,0|1,0,1]=4 5329 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [1,1,0,0,0,0|1,0,1]=4 5330 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [1,1,0,0,0,0|1,0,1]=4 5331 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [1,1,0,0,0,0|1,0,1]=4 5332 B8R0.23 CC(C)C(=O)CC(F)F 1458a_100000210198_100011934356 [1,1,0,0,0,0|1,0,0]=3 5333 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [1,1,0,0,0,0|1,0,0]=3 5334 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [1,1,0,0,0,0|1,0,0]=3 5335 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [1,1,0,0,0,0|1,0,0]=3 5336 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [1,1,0,0,0,0|0,0,0]=2 5337 B8R0.23 CC(C)C(=O)C[N+](=O)[O-] 1458a_100000210198_100000761209 [1,1,0,0,0,0|2,0,0]=4 5338 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [1,1,0,0,0,0|1,0,0]=3 5339 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [1,1,0,0,0,0|0,0,0]=2 5340 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [1,1,0,0,0,0|0,0,0]=2 5341 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [1,1,0,0,0,0|1,0,0]=3 5342 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [1,1,0,0,0,0|2,0,0]=4 5343 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [1,1,0,0,0,0|1,0,0]=3 5344 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [1,1,0,0,0,0|1,0,0]=3 5345 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [1,1,0,0,0,0|1,0,0]=3 5346 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [1,1,0,0,0,0|1,0,0]=3 5347 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [1,1,0,0,0,0|1,0,0]=3 5348 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [1,1,0,0,0,0|1,0,0]=3 5349 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000737641_200000210301 [1,1,0,0,0,0|2,0,0]=4 5350 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000747067_100000210206 [1,1,0,0,0,0|2,0,0]=4 5351 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000737641_200000210301 [1,1,0,0,0,0|2,0,0]=4 5352 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000747067_100000210206 [1,1,0,0,0,0|2,0,0]=4 5353 B8R0.23 CC(C)CN(C)C(C)C 269982a_200000211004_100000210624 [1,1,0,0,0,0|2,0,0]=4 5354 B8R0.23 CC(C)CN(C)C(C)C 270004a_200000211004_100000210432 [1,1,0,0,0,0|2,0,0]=4 5355 B8R0.23 CC(C)CN([13CH3])C(C)C 2230a_100000737641_200025704644 [1,1,0,0,0,0|2,0,0]=4 5356 B8R0.23 CC(C)CN([13CH3])C(C)C 269982a_100000737641_200025704644 [1,1,0,0,0,0|2,0,0]=4 5357 B8R0.23 CC(C)N(C)C[C@@H](C)O 269982a_200000211004_100009817552 [1,1,0,0,0,0|2,0,0]=4 5358 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 5359 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 5360 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 5361 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 5362 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [1,1,0,0,0,0|2,0,0]=4 5363 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [1,1,0,0,0,0|2,0,0]=4 5364 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [1,1,0,0,0,0|2,0,0]=4 5365 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [1,1,0,0,0,0|2,0,0]=4 5366 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [1,1,0,0,0,0|2,0,0]=4 5367 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [1,1,0,0,0,0|2,0,0]=4 5368 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [1,1,0,0,0,0|2,0,0]=4 5369 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [1,1,0,0,0,0|2,0,0]=4 5370 B8R0.23 CC(F)C(=O)CC(F)F 1458a_100000062450_100011934356 [1,1,0,0,0,0|2,0,0]=4 5371 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [1,1,0,0,0,0|0,0,0]=2 5372 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [1,1,0,0,0,0|1,0,0]=3 5373 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [1,1,0,0,0,0|2,0,0]=4 5374 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [1,1,0,0,0,0|1,0,0]=3 5375 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [1,1,0,0,0,0|1,0,0]=3 5376 B8R0.23 CC(O)CN(C)C(C)C 2230a_100000227577_100000210206 [1,1,0,0,0,0|2,0,0]=4 5377 B8R0.23 CC(O)CN(C)C(C)C 269982a_100000227577_100000210206 [1,1,0,0,0,0|2,0,0]=4 5378 B8R0.23 CC(O)CN(C)C(C)C 269982a_200000211004_100011218427 [1,1,0,0,0,0|2,0,0]=4 5379 B8R0.23 CN(C)C(=O)C[S+](C)C 11a_100102631434_200159257847 [1,1,0,0,0,0|2,0,0]=4 5380 B8R0.23 CN(C)C(=O)C[S+](C)C 1626a_100102631434_200159257847 [1,1,0,0,0,0|2,0,0]=4 5381 B8R0.23 CN(C)C(=O)C[S+](C)C 240690a_100102631434_200159257847 [1,1,0,0,0,0|2,0,0]=4 5382 B8R0.23 CN(C)C(=O)C[S+](C)C 527a_100102631434_200159257847 [1,1,0,0,0,0|2,0,0]=4 5383 B8R0.23 CN(C)CC(=O)N(C)C 11a_100102631434_100000750896 [1,1,0,0,0,0|2,0,0]=4 5384 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100000185065_200000210301 [1,1,0,0,0,0|2,0,0]=4 5385 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100102631434_100000185267 [1,1,0,0,0,0|2,0,0]=4 5386 B8R0.23 CN(C)CC(=O)N(C)C 240690a_100102631434_100000750896 [1,1,0,0,0,0|2,0,0]=4 5387 B8R0.23 CN(C)CC(=O)N(C)C 269982a_100102631434_100000185267 [1,1,0,0,0,0|2,0,0]=4 5388 B8R0.23 CN(C)CC(=O)N(C)C 527a_100102631434_100000750896 [1,1,0,0,0,0|2,0,0]=4 5389 B8R0.23 CN([13CH3])CC(=O)N(C)C 2230a_100000185065_200025704644 [1,1,0,0,0,0|2,0,0]=4 5390 B8R0.23 C[C@@H](O)C(=O)CC(F)F 1458a_100000717761_100011934356 [1,1,0,0,0,0|2,0,0]=4 5391 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [1,1,0,0,0,0|1,0,0]=3 5392 B8R0.23 C[C@H](O)C(=O)CC(F)F 1458a_217856618621_100011934356 [1,1,0,0,0,0|2,0,0]=4 5393 B10R0.6 C#CCCCC(=O)C=C(C)C 1458a_100000211388_100000731252 [0,1,0,0,0,1|0,0,2]=4 5394 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000210554_100000731252 [0,1,0,0,0,1|0,0,1]=3 5395 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000690238_100000210624 [0,1,0,0,0,1|0,0,1]=3 5396 B10R0.6 C#CCCCC(=O)CC(C)O 1458a_100000690238_100011218427 [0,1,0,0,0,1|1,0,1]=4 5397 B10R0.6 C#CCCCC(=O)CN(C)C 1458a_100000750896_100000731252 [0,1,0,0,0,1|1,0,1]=4 5398 B10R0.6 C#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000731252 [0,1,0,0,0,1|1,0,1]=4 5399 B10R0.6 C#CCCCC(=O)C[S+](C)C 1458a_200159257847_100000731252 [0,1,0,0,0,1|1,0,1]=4 5400 B10R0.6 C#CCCCC(=O)NC(C)C 11a_100138425928_100000690238 [0,1,0,0,0,1|0,0,1]=3 5401 B10R0.6 C#CCCCC(=O)NC(C)C 1626a_100138425928_100000690238 [0,1,0,0,0,1|0,0,1]=3 5402 B10R0.6 C#CCCCC(=O)NC(C)C 240690a_100138425928_100000690238 [0,1,0,0,0,1|0,0,1]=3 5403 B10R0.6 C#CCCCC(=O)NC(C)C 527a_100138425928_100000690238 [0,1,0,0,0,1|0,0,1]=3 5404 B10R0.6 C#CCCNC(=O)CC(C)C 11a_100000755551_100000210554 [0,1,0,0,0,1|0,0,2]=4 5405 B10R0.6 C#CCCNC(=O)CC(C)C 1626a_100000755551_100000210554 [0,1,0,0,0,1|0,0,2]=4 5406 B10R0.6 C#CCCNC(=O)CC(C)C 240690a_100000755551_100000210554 [0,1,0,0,0,1|0,0,2]=4 5407 B10R0.6 C#CCCNC(=O)CC(C)C 527a_100000755551_100000210554 [0,1,0,0,0,1|0,0,2]=4 5408 B10R0.6 C#CCCNC(=O)NC(C)C 2708a_100000755551_100138425928 [0,1,0,0,0,1|0,0,2]=4 5409 B10R0.6 C#CCCNC(=O)NC(C)C 2708a_100138425928_100000755551 [0,1,0,0,0,1|0,0,2]=4 5410 B10R0.6 C#CCCNC(=O)NC(C)C 273464a_100138425928_100000755551 [0,1,0,0,0,1|0,0,2]=4 5411 B10R0.6 C#CCCNC(=O)NC(C)C 512a_100000755551_100138425928 [0,1,0,0,0,1|0,0,2]=4 5412 B10R0.6 C#CCCNC(=O)NC(C)C 512a_100138425928_100000755551 [0,1,0,0,0,1|0,0,2]=4 5413 B10R0.6 C#CCNCC(=O)NC(C)C 2230a_100000168517_100000038162 [0,1,0,0,0,1|0,0,2]=4 5414 B10R0.6 C#CCNCC(=O)NC(C)C 34a_100000212058_100000183996 [0,1,0,0,0,1|0,0,2]=4 5415 B10R0.6 C#CCNCC(=O)OC(C)C 34a_100000212058_100011215430 [0,1,0,0,0,1|0,0,2]=4 5416 B10R0.6 C#CCOCC(=O)CC(C)C 1458a_100011251226_100000210624 [0,1,0,0,0,1|0,0,2]=4 5417 B10R0.6 C#CCOCC(=O)NC(C)C 11a_100138425928_100011251226 [0,1,0,0,0,1|0,0,2]=4 5418 B10R0.6 C#CCOCC(=O)NC(C)C 1626a_100138425928_100011251226 [0,1,0,0,0,1|0,0,2]=4 5419 B10R0.6 C#CCOCC(=O)NC(C)C 34a_100000210247_100000183996 [0,1,0,0,0,1|0,0,2]=4 5420 B10R0.6 C#CCOCC(=O)NC(C)C 527a_100138425928_100011251226 [0,1,0,0,0,1|0,0,2]=4 5421 B10R0.6 C#CCOCC(=O)OC(C)C 34a_100000210247_100011215430 [0,1,0,0,0,1|0,0,2]=4 5422 B10R0.6 C#CCSCC(=O)NC(C)C 62a_100000038162_100000183996 [0,1,0,0,0,1|0,0,2]=4 5423 B10R0.6 C#CCSCC(=O)OC(C)C 62a_100000038162_100011215430 [0,1,0,0,0,1|0,0,2]=4 5424 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,1,0,0,0,1|0,0,2]=4 5425 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [0,1,0,0,0,1|0,0,2]=4 5426 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [0,1,0,0,0,1|0,0,2]=4 5427 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,1,0,0,0,1|0,0,2]=4 5428 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,1,0,0,0,1|0,0,2]=4 5429 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,1,0,0,0,1|0,0,2]=4 5430 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,1,0,0,0,1|0,0,2]=4 5431 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [0,1,0,0,0,1|0,0,2]=4 5432 B10R0.6 C=CCCCC(=O)C=C(C)C 1458a_100000211388_100000757094 [0,1,0,0,0,1|0,0,2]=4 5433 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000210554_100000757094 [0,1,0,0,0,1|0,0,1]=3 5434 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000766728_100000210624 [0,1,0,0,0,1|0,0,1]=3 5435 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [0,1,0,0,0,1|1,0,1]=4 5436 B10R0.6 C=CCCCC(=O)CN(C)C 1458a_100000750896_100000757094 [0,1,0,0,0,1|1,0,1]=4 5437 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [0,1,0,0,0,1|1,0,1]=4 5438 B10R0.6 C=CCCCC(=O)C[S+](C)C 1458a_200159257847_100000757094 [0,1,0,0,0,1|1,0,1]=4 5439 B10R0.6 C=CCCCC(=O)NC(C)C 11a_100138425928_100000766728 [0,1,0,0,0,1|0,0,1]=3 5440 B10R0.6 C=CCCCC(=O)NC(C)C 1626a_100138425928_100000766728 [0,1,0,0,0,1|0,0,1]=3 5441 B10R0.6 C=CCCCC(=O)NC(C)C 240690a_100138425928_100000766728 [0,1,0,0,0,1|0,0,1]=3 5442 B10R0.6 C=CCCCC(=O)NC(C)C 527a_100138425928_100000766728 [0,1,0,0,0,1|0,0,1]=3 5443 B10R0.6 C=CCCNC(=O)CC(C)C 11a_100015191253_100000210554 [0,1,0,0,0,1|0,0,2]=4 5444 B10R0.6 C=CCCNC(=O)CC(C)C 1626a_100015191253_100000210554 [0,1,0,0,0,1|0,0,2]=4 5445 B10R0.6 C=CCCNC(=O)CC(C)C 240690a_100015191253_100000210554 [0,1,0,0,0,1|0,0,2]=4 5446 B10R0.6 C=CCCNC(=O)CC(C)C 527a_100015191253_100000210554 [0,1,0,0,0,1|0,0,2]=4 5447 B10R0.6 C=CCCNC(=O)NC(C)C 2708a_100015191253_100138425928 [0,1,0,0,0,1|0,0,2]=4 5448 B10R0.6 C=CCCNC(=O)NC(C)C 2708a_100138425928_100015191253 [0,1,0,0,0,1|0,0,2]=4 5449 B10R0.6 C=CCCNC(=O)NC(C)C 273464a_100138425928_100015191253 [0,1,0,0,0,1|0,0,2]=4 5450 B10R0.6 C=CCCNC(=O)NC(C)C 512a_100015191253_100138425928 [0,1,0,0,0,1|0,0,2]=4 5451 B10R0.6 C=CCCNC(=O)NC(C)C 512a_100138425928_100015191253 [0,1,0,0,0,1|0,0,2]=4 5452 B10R0.6 C=CCNCC(=O)NC(C)C 2230a_100000168517_100000210623 [0,1,0,0,0,1|0,0,2]=4 5453 B10R0.6 C=CCNCC(=O)NC(C)C 2230a_100020586998_100000183996 [0,1,0,0,0,1|0,0,2]=4 5454 B10R0.6 C=CCNCC(=O)OC(C)C 2230a_100020586998_100011215430 [0,1,0,0,0,1|0,0,2]=4 5455 B10R0.6 C=CCOCC(=O)NC(C)C 34a_200000210373_100000183996 [0,1,0,0,0,1|0,0,2]=4 5456 B10R0.6 C=CCOCC(=O)OC(C)C 34a_200000210373_100011215430 [0,1,0,0,0,1|0,0,2]=4 5457 B10R0.6 C=CCSCC(=O)CC(C)C 1458a_100000230395_100000210624 [0,1,0,0,0,1|0,0,2]=4 5458 B10R0.6 C=CCSCC(=O)NC(C)C 11a_100138425928_100000230395 [0,1,0,0,0,1|0,0,2]=4 5459 B10R0.6 C=CCSCC(=O)NC(C)C 1626a_100138425928_100000230395 [0,1,0,0,0,1|0,0,2]=4 5460 B10R0.6 C=CCSCC(=O)NC(C)C 240690a_100138425928_100000230395 [0,1,0,0,0,1|0,0,2]=4 5461 B10R0.6 C=CCSCC(=O)NC(C)C 527a_100138425928_100000230395 [0,1,0,0,0,1|0,0,2]=4 5462 B10R0.6 C=CCSCC(=O)NC(C)C 62a_100000183996_100000210623 [0,1,0,0,0,1|0,0,2]=4 5463 B10R0.6 C=CCSCC(=O)NC(C)C 62a_100000210623_100000183996 [0,1,0,0,0,1|0,0,2]=4 5464 B10R0.6 C=CCSCC(=O)OC(C)C 62a_100000210623_100011215430 [0,1,0,0,0,1|0,0,2]=4 5465 B10R0.6 C=CCSCC(=O)OC(C)C 62a_100011215430_100000210623 [0,1,0,0,0,1|0,0,2]=4 5466 B10R0.6 C=COCCC(=O)CC(C)C 1458a_100000210554_100000039644 [0,1,0,0,0,1|0,0,2]=4 5467 B10R0.6 CC#CCNC(=O)CC(C)C 11a_100000685387_100000210554 [0,1,0,0,0,1|0,0,2]=4 5468 B10R0.6 CC#CCNC(=O)CC(C)C 1626a_100000685387_100000210554 [0,1,0,0,0,1|0,0,2]=4 5469 B10R0.6 CC#CCNC(=O)CC(C)C 527a_100000685387_100000210554 [0,1,0,0,0,1|0,0,2]=4 5470 B10R0.6 CC#CCNC(=O)NC(C)C 2708a_100138425928_100000685387 [0,1,0,0,0,1|0,0,2]=4 5471 B10R0.6 CC#CCNC(=O)NC(C)C 273464a_100138425928_100000685387 [0,1,0,0,0,1|0,0,2]=4 5472 B10R0.6 CC#CCNC(=O)NC(C)C 512a_100000685387_100138425928 [0,1,0,0,0,1|0,0,2]=4 5473 B10R0.6 CC#CCNC(=O)NC(C)C 512a_100138425928_100000685387 [0,1,0,0,0,1|0,0,2]=4 5474 B10R0.6 CC(=CC(=O)CCCC#N)C 1458a_100000211388_100000211468 [0,1,0,0,0,1|0,0,2]=4 5475 B10R0.6 CC(=CC(=O)CCCCF)C 1458a_100000211388_100000729493 [0,1,0,0,0,1|0,0,1]=3 5476 B10R0.6 CC(=CC(=O)CCCCF)Cl 1458a_200042562850_100000729493 [0,1,0,0,0,1|1,0,1]=4 5477 B10R0.6 CC(=CC(=O)CCCCF)I 1458a_100025716642_100000729493 [0,1,0,0,0,1|1,0,1]=4 5478 B10R0.6 CC(=CC(=O)CCCCO)C 1458a_100000211388_100000210776 [0,1,0,0,0,1|0,0,1]=3 5479 B10R0.6 CC(=CC(=O)CCCCO)Cl 1458a_200042562850_100000210776 [0,1,0,0,0,1|1,0,1]=4 5480 B10R0.6 CC(=CC(=O)CCCCO)I 1458a_100025716642_100000210776 [0,1,0,0,0,1|1,0,1]=4 5481 B10R0.6 CC(=CC(=O)NCCCF)C 11a_100015189416_100000211388 [0,1,0,0,0,1|1,0,1]=4 5482 B10R0.6 CC(=CC(=O)NCCCF)C 1626a_100015189416_100000211388 [0,1,0,0,0,1|1,0,1]=4 5483 B10R0.6 CC(=CC(=O)NCCCF)C 240690a_100015189416_100000211388 [0,1,0,0,0,1|1,0,1]=4 5484 B10R0.6 CC(=CC(=O)NCCCO)C 240690a_100000182051_100000211388 [0,1,0,0,0,1|1,0,1]=4 5485 B10R0.6 CC(C)CC(=O)CC#CCO 1458a_100000210554_200000047223 [0,1,0,0,0,1|0,0,2]=4 5486 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000075515_100000210624 [0,1,0,0,0,1|0,0,1]=3 5487 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000210554_100000211468 [0,1,0,0,0,1|0,0,1]=3 5488 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,1,0,0,0,1|0,0,0]=2 5489 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,1,0,0,0,1|0,0,0]=2 5490 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,1,0,0,0,1|0,0,0]=2 5491 B10R0.6 CC(C)CC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210624 [0,1,0,0,0,1|2,0,0]=4 5492 B10R0.6 CC(C)CC(=O)COCCO 1458a_100000708028_100000210624 [0,1,0,0,0,1|1,0,0]=3 5493 B10R0.6 CC(C)CC(=O)CSCC#N 1458a_100000150266_100000210624 [0,1,0,0,0,1|1,0,1]=4 5494 B10R0.6 CC(C)CC(=O)NCCC#N 11a_100000720768_100000210554 [0,1,0,0,0,1|1,0,1]=4 5495 B10R0.6 CC(C)CC(=O)NCCC#N 1626a_100000720768_100000210554 [0,1,0,0,0,1|1,0,1]=4 5496 B10R0.6 CC(C)CC(=O)NCCC#N 240690a_100000720768_100000210554 [0,1,0,0,0,1|1,0,1]=4 5497 B10R0.6 CC(C)CC(=O)NCCC#N 527a_100000720768_100000210554 [0,1,0,0,0,1|1,0,1]=4 5498 B10R0.6 CC(C)CC(=O)NCCCF 11a_100015189416_100000210554 [0,1,0,0,0,1|1,0,0]=3 5499 B10R0.6 CC(C)CC(=O)NCCCF 1626a_100015189416_100000210554 [0,1,0,0,0,1|1,0,0]=3 5500 B10R0.6 CC(C)CC(=O)NCCCF 240690a_100015189416_100000210554 [0,1,0,0,0,1|1,0,0]=3 5501 B10R0.6 CC(C)CC(=O)NCCCF 527a_100015189416_100000210554 [0,1,0,0,0,1|1,0,0]=3 5502 B10R0.6 CC(C)CC(=O)NCCCO 240690a_100000182051_100000210554 [0,1,0,0,0,1|1,0,0]=3 5503 B10R0.6 CC(C)CC(=O)NCCCO 527a_100000182051_100000210554 [0,1,0,0,0,1|1,0,0]=3 5504 B10R0.6 CC(C)CC(=O)NNCCO 22a_100000210001_100000210554 [0,1,0,0,0,1|2,0,0]=4 5505 B10R0.6 CC(C)CN(C)CCCCF 2230a_100000747067_100000729493 [0,1,0,0,0,1|2,0,0]=4 5506 B10R0.6 CC(C)CN(C)CCCCF 269982a_100000747067_100000729493 [0,1,0,0,0,1|2,0,0]=4 5507 B10R0.6 CC(C)CN(C)CCCCO 2230a_100000717598_100000210760 [0,1,0,0,0,1|2,0,0]=4 5508 B10R0.6 CC(C)CN(C)CCCCO 2230a_100000747067_100000210776 [0,1,0,0,0,1|2,0,0]=4 5509 B10R0.6 CC(C)CN(C)CCCCO 269982a_100000717598_100000210624 [0,1,0,0,0,1|2,0,0]=4 5510 B10R0.6 CC(C)CN(C)CCCCO 269982a_100000747067_100000210776 [0,1,0,0,0,1|2,0,0]=4 5511 B10R0.6 CC(C)CN(C)CCCCO 270004a_100000717598_100000210432 [0,1,0,0,0,1|2,0,0]=4 5512 B10R0.6 CC(C)NC(=O)CCCC#N 11a_100138425928_100000075515 [0,1,0,0,0,1|0,0,1]=3 5513 B10R0.6 CC(C)NC(=O)CCCC#N 1626a_100138425928_100000075515 [0,1,0,0,0,1|0,0,1]=3 5514 B10R0.6 CC(C)NC(=O)CCCC#N 240690a_100138425928_100000075515 [0,1,0,0,0,1|0,0,1]=3 5515 B10R0.6 CC(C)NC(=O)CCCC#N 527a_100138425928_100000075515 [0,1,0,0,0,1|0,0,1]=3 5516 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [0,1,0,0,0,1|0,0,0]=2 5517 B10R0.6 CC(C)NC(=O)CCN=[N+]=[N-] 11a_100138425928_100000688302 [0,1,0,0,0,1|2,0,0]=4 5518 B10R0.6 CC(C)NC(=O)CCN=[N+]=[N-] 240690a_100138425928_100000688302 [0,1,0,0,0,1|2,0,0]=4 5519 B10R0.6 CC(C)NC(=O)CCSCF 62a_100000737564_100015361967 [0,1,0,0,0,1|1,0,0]=3 5520 B10R0.6 CC(C)NC(=O)CCSCF 62a_100015361967_100000737564 [0,1,0,0,0,1|1,0,0]=3 5521 B10R0.6 CC(C)NC(=O)CNCC#N 2230a_100000168517_100011215382 [0,1,0,0,0,1|1,0,1]=4 5522 B10R0.6 CC(C)NC(=O)CNCC=O 2230a_100000168517_200015260668 [0,1,0,0,0,1|1,0,1]=4 5523 B10R0.6 CC(C)NC(=O)CNCCF 2230a_100000168517_100011217306 [0,1,0,0,0,1|1,0,0]=3 5524 B10R0.6 CC(C)NC(=O)CNCCF 34a_100000724931_100000183996 [0,1,0,0,0,1|1,0,0]=3 5525 B10R0.6 CC(C)NC(=O)CNCCO 2230a_100000168517_100000211926 [0,1,0,0,0,1|1,0,0]=3 5526 B10R0.6 CC(C)NC(=O)CNCCO 2230a_100016997473_100000183996 [0,1,0,0,0,1|1,0,0]=3 5527 B10R0.6 CC(C)NC(=O)CNCCO 34a_100016990907_100000183996 [0,1,0,0,0,1|1,0,0]=3 5528 B10R0.6 CC(C)NC(=O)COCCBr 34a_100000211926_100000183996 [0,1,0,0,0,1|1,0,0]=3 5529 B10R0.6 CC(C)NC(=O)COCCN 34a_100000210304_100000183996 [0,1,0,0,0,1|1,0,0]=3 5530 B10R0.6 CC(C)NC(=O)COCCO 1626a_100138425928_100000708028 [0,1,0,0,0,1|1,0,0]=3 5531 B10R0.6 CC(C)NC(=O)COCCO 240690a_100138425928_100000708028 [0,1,0,0,0,1|1,0,0]=3 5532 B10R0.6 CC(C)NC(=O)CSCC#N 11a_100138425928_100000150266 [0,1,0,0,0,1|1,0,1]=4 5533 B10R0.6 CC(C)NC(=O)CSCC#N 1626a_100138425928_100000150266 [0,1,0,0,0,1|1,0,1]=4 5534 B10R0.6 CC(C)NC(=O)CSCC#N 240690a_100138425928_100000150266 [0,1,0,0,0,1|1,0,1]=4 5535 B10R0.6 CC(C)NC(=O)CSCC#N 62a_100000183996_100011215382 [0,1,0,0,0,1|1,0,1]=4 5536 B10R0.6 CC(C)NC(=O)CSCC#N 62a_100011215382_100000183996 [0,1,0,0,0,1|1,0,1]=4 5537 B10R0.6 CC(C)NC(=O)CSCC=O 62a_100000183996_200015260668 [0,1,0,0,0,1|1,0,1]=4 5538 B10R0.6 CC(C)NC(=O)CSCC=O 62a_200015260668_100000183996 [0,1,0,0,0,1|1,0,1]=4 5539 B10R0.6 CC(C)NC(=O)CSCCF 62a_100000183996_100011217306 [0,1,0,0,0,1|1,0,0]=3 5540 B10R0.6 CC(C)NC(=O)CSCCF 62a_100011217306_100000183996 [0,1,0,0,0,1|1,0,0]=3 5541 B10R0.6 CC(C)NC(=O)CSCCO 62a_100000183996_100000211926 [0,1,0,0,0,1|1,0,0]=3 5542 B10R0.6 CC(C)NC(=O)CSCCO 62a_100000211926_100000183996 [0,1,0,0,0,1|1,0,0]=3 5543 B10R0.6 CC(C)NC(=O)NCCC#N 2708a_100000720768_100138425928 [0,1,0,0,0,1|1,0,1]=4 5544 B10R0.6 CC(C)NC(=O)NCCC#N 2708a_100138425928_100000720768 [0,1,0,0,0,1|1,0,1]=4 5545 B10R0.6 CC(C)NC(=O)NCCC#N 273464a_100138425928_100000720768 [0,1,0,0,0,1|1,0,1]=4 5546 B10R0.6 CC(C)NC(=O)NCCC#N 512a_100000720768_100138425928 [0,1,0,0,0,1|1,0,1]=4 5547 B10R0.6 CC(C)NC(=O)NCCC#N 512a_100138425928_100000720768 [0,1,0,0,0,1|1,0,1]=4 5548 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100015189416_100138425928 [0,1,0,0,0,1|1,0,0]=3 5549 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100138425928_100015189416 [0,1,0,0,0,1|1,0,0]=3 5550 B10R0.6 CC(C)NC(=O)NCCCF 273464a_100138425928_100015189416 [0,1,0,0,0,1|1,0,0]=3 5551 B10R0.6 CC(C)NC(=O)NCCCF 512a_100015189416_100138425928 [0,1,0,0,0,1|1,0,0]=3 5552 B10R0.6 CC(C)NC(=O)NCCCF 512a_100138425928_100015189416 [0,1,0,0,0,1|1,0,0]=3 5553 B10R0.6 CC(C)NC(=O)NCCCO 2708a_100138425928_100000182051 [0,1,0,0,0,1|1,0,0]=3 5554 B10R0.6 CC(C)NC(=O)NCCCO 273464a_100138425928_100000182051 [0,1,0,0,0,1|1,0,0]=3 5555 B10R0.6 CC(C)NC(=O)NCCCO 512a_100138425928_100000182051 [0,1,0,0,0,1|1,0,0]=3 5556 B10R0.6 CC(C)NC(=O)NNCCO 273464a_100138425928_100000210001 [0,1,0,0,0,1|2,0,0]=4 5557 B10R0.6 CC(C)NC(=O)NNCCO 512a_100138425928_100000210001 [0,1,0,0,0,1|2,0,0]=4 5558 B10R0.6 CC(C)OC(=O)CCSCF 62a_100000760027_100015361967 [0,1,0,0,0,1|1,0,0]=3 5559 B10R0.6 CC(C)OC(=O)CCSCF 62a_100015361967_100000760027 [0,1,0,0,0,1|1,0,0]=3 5560 B10R0.6 CC(C)OC(=O)CNCCF 34a_100000724931_100011215430 [0,1,0,0,0,1|1,0,0]=3 5561 B10R0.6 CC(C)OC(=O)CNCCO 2230a_100016997473_100011215430 [0,1,0,0,0,1|1,0,0]=3 5562 B10R0.6 CC(C)OC(=O)CNCCO 34a_100016990907_100011215430 [0,1,0,0,0,1|1,0,0]=3 5563 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [0,1,0,0,0,1|1,0,0]=3 5564 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [0,1,0,0,0,1|1,0,0]=3 5565 B10R0.6 CC(C)OC(=O)CSCC#N 62a_100011215382_100011215430 [0,1,0,0,0,1|1,0,1]=4 5566 B10R0.6 CC(C)OC(=O)CSCC#N 62a_100011215430_100011215382 [0,1,0,0,0,1|1,0,1]=4 5567 B10R0.6 CC(C)OC(=O)CSCC=O 62a_100011215430_200015260668 [0,1,0,0,0,1|1,0,1]=4 5568 B10R0.6 CC(C)OC(=O)CSCC=O 62a_200015260668_100011215430 [0,1,0,0,0,1|1,0,1]=4 5569 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011215430_100011217306 [0,1,0,0,0,1|1,0,0]=3 5570 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011217306_100011215430 [0,1,0,0,0,1|1,0,0]=3 5571 B10R0.6 CC(C)OC(=O)CSCCO 62a_100000211926_100011215430 [0,1,0,0,0,1|1,0,0]=3 5572 B10R0.6 CC(C)OC(=O)CSCCO 62a_100011215430_100000211926 [0,1,0,0,0,1|1,0,0]=3 5573 B10R0.6 CC(C)OC(=O)OCSCF 62a_100000003507_100015361967 [0,1,0,0,0,1|2,0,0]=4 5574 B10R0.6 CC(C)OC(=O)OCSCF 62a_100015361967_100000003507 [0,1,0,0,0,1|2,0,0]=4 5575 B10R0.6 CC(O)CC(=O)CCCC#N 1458a_100000075515_100011218427 [0,1,0,0,0,1|1,0,1]=4 5576 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,1,0,0,0,1|1,0,0]=3 5577 B10R0.6 CC(O)CC(=O)COCCO 1458a_100000708028_100011218427 [0,1,0,0,0,1|2,0,0]=4 5578 B10R0.6 CC/C=C/CC(=O)CC(C)C 1458a_100016274230_100000210624 [0,1,0,0,0,1|0,0,1]=3 5579 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [0,1,0,0,0,1|1,0,1]=4 5580 B10R0.6 CC/C=C/CC(=O)NC(C)C 11a_100138425928_100016274230 [0,1,0,0,0,1|0,0,1]=3 5581 B10R0.6 CC/C=C/CC(=O)NC(C)C 1626a_100138425928_100016274230 [0,1,0,0,0,1|0,0,1]=3 5582 B10R0.6 CC/C=C/CC(=O)NC(C)C 240690a_100138425928_100016274230 [0,1,0,0,0,1|0,0,1]=3 5583 B10R0.6 CC/C=C/CC(=O)NC(C)C 527a_100138425928_100016274230 [0,1,0,0,0,1|0,0,1]=3 5584 B10R0.6 CC/C=C\CC(=O)C=C(C)C 1458a_100000211388_100103147603 [0,1,0,0,0,1|0,0,2]=4 5585 B10R0.6 CC/C=C\CC(=O)CC(C)C 1458a_100000210554_100103147603 [0,1,0,0,0,1|0,0,1]=3 5586 B10R0.6 CC/C=C\CC(=O)CN(C)C 1458a_100000750896_100103147603 [0,1,0,0,0,1|1,0,1]=4 5587 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [0,1,0,0,0,1|1,0,1]=4 5588 B10R0.6 CC/C=C\CC(=O)C[S+](C)C 1458a_200159257847_100103147603 [0,1,0,0,0,1|1,0,1]=4 5589 B10R0.6 CCC#CCC(=O)C=C(C)C 1458a_100000211388_100009813939 [0,1,0,0,0,1|0,0,2]=4 5590 B10R0.6 CCC#CCC(=O)CC(C)C 1458a_100000210554_100009813939 [0,1,0,0,0,1|0,0,1]=3 5591 B10R0.6 CCC#CCC(=O)CN(C)C 1458a_100000750896_100009813939 [0,1,0,0,0,1|1,0,1]=4 5592 B10R0.6 CCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009813939 [0,1,0,0,0,1|1,0,1]=4 5593 B10R0.6 CCC#CCC(=O)C[S+](C)C 1458a_200159257847_100009813939 [0,1,0,0,0,1|1,0,1]=4 5594 B10R0.6 CCC=NNC(=O)CC(C)C 4a_100000189787_100000210100 [0,1,0,0,0,1|1,0,1]=4 5595 B10R0.6 CCCC#CC(=O)CC(C)C 1458a_200011218047_100000210624 [0,1,0,0,0,1|0,0,1]=3 5596 B10R0.6 CCCC#CC(=O)CC(C)O 1458a_200011218047_100011218427 [0,1,0,0,0,1|1,0,1]=4 5597 B10R0.6 CCCC#CC(=O)NC(C)C 240690a_100138425928_200011218047 [0,1,0,0,0,1|0,0,1]=3 5598 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [0,1,0,0,0,1|0,0,1]=3 5599 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [0,1,0,0,0,1|1,0,1]=4 5600 B10R0.6 CCCC=CC(=O)NC(C)C 11a_100138425928_100000212230 [0,1,0,0,0,1|0,0,1]=3 5601 B10R0.6 CCCC=CC(=O)NC(C)C 1626a_100138425928_100000212230 [0,1,0,0,0,1|0,0,1]=3 5602 B10R0.6 CCCC=CC(=O)NC(C)C 240690a_100138425928_100000212230 [0,1,0,0,0,1|0,0,1]=3 5603 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,1,0,0,0,1|0,0,1]=3 5604 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,1,0,0,0,1|1,0,1]=4 5605 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,1,0,0,0,1|1,0,1]=4 5606 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,1,0,0,0,1|1,0,1]=4 5607 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,1,0,0,0,1|0,0,0]=2 5608 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,1,0,0,0,1|0,0,0]=2 5609 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,1,0,0,0,1|1,0,0]=3 5610 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [0,1,0,0,0,1|2,0,0]=4 5611 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,1,0,0,0,1|1,0,0]=3 5612 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,1,0,0,0,1|1,0,0]=3 5613 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,1,0,0,0,1|1,0,0]=3 5614 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,1,0,0,0,1|1,0,0]=3 5615 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,1,0,0,0,1|1,0,0]=3 5616 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,1,0,0,0,1|0,0,0]=2 5617 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,1,0,0,0,1|0,0,0]=2 5618 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,1,0,0,0,1|0,0,0]=2 5619 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,1,0,0,0,1|0,0,0]=2 5620 B10R0.6 CCCCCC(C)NC(C)C 2230a_100000211957_100000210206 [0,1,0,0,0,1|1,0,1]=4 5621 B10R0.6 CCCCCC(C)NC(C)C 2230a_100138425928_200011218191 [0,1,0,0,0,1|1,0,1]=4 5622 B10R0.6 CCCCCC(C)NC(C)C 34a_100138425928_200011218191 [0,1,0,0,0,1|1,0,1]=4 5623 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [0,1,0,0,0,1|1,0,1]=4 5624 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [0,1,0,0,0,1|1,0,1]=4 5625 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [0,1,0,0,0,1|1,0,1]=4 5626 B10R0.6 CCCCCC(C)SC(C)C 62a_100000210206_200011218191 [0,1,0,0,0,1|1,0,1]=4 5627 B10R0.6 CCCCCC(C)SC(C)C 62a_200011218191_100000210206 [0,1,0,0,0,1|1,0,1]=4 5628 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000223495_100000210760 [0,1,0,0,0,1|2,0,0]=4 5629 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000747067_100000210326 [0,1,0,0,0,1|2,0,0]=4 5630 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000223495_100000210624 [0,1,0,0,0,1|2,0,0]=4 5631 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000747067_100000210215 [0,1,0,0,0,1|2,0,0]=4 5632 B10R0.6 CCCCCN(C)CC(C)C 270004a_100000223495_100000210432 [0,1,0,0,0,1|2,0,0]=4 5633 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [0,1,0,0,0,1|0,0,1]=3 5634 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [0,1,0,0,0,1|0,0,1]=3 5635 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [0,1,0,0,0,1|0,0,1]=3 5636 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [0,1,0,0,0,1|1,0,1]=4 5637 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [0,1,0,0,0,1|1,0,1]=4 5638 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [0,1,0,0,0,1|1,0,1]=4 5639 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [0,1,0,0,0,1|1,0,1]=4 5640 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [0,1,0,0,0,1|1,0,1]=4 5641 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,1,0,0,0,1|1,0,1]=4 5642 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,1,0,0,0,1|0,0,0]=2 5643 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,1,0,0,0,1|0,0,0]=2 5644 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,1,0,0,0,1|0,0,0]=2 5645 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,1,0,0,0,1|0,0,0]=2 5646 B10R0.6 CCCCNC(=O)CN(C)C 11a_100000102301_100000750896 [0,1,0,0,0,1|1,0,0]=3 5647 B10R0.6 CCCCNC(=O)CN(C)C 2230a_100102631434_100000182744 [0,1,0,0,0,1|1,0,0]=3 5648 B10R0.6 CCCCNC(=O)CN(C)C 2230a_200000213093_200000210301 [0,1,0,0,0,1|1,0,0]=3 5649 B10R0.6 CCCCNC(=O)CN(C)C 240690a_100000102301_100000750896 [0,1,0,0,0,1|1,0,0]=3 5650 B10R0.6 CCCCNC(=O)CN(C)C 269982a_100102631434_100000182744 [0,1,0,0,0,1|1,0,0]=3 5651 B10R0.6 CCCCNC(=O)CN(C)C 269982a_200000213093_200000210301 [0,1,0,0,0,1|1,0,0]=3 5652 B10R0.6 CCCCNC(=O)CN(C)C 527a_100000102301_100000750896 [0,1,0,0,0,1|1,0,0]=3 5653 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 2230a_200000213093_200025704644 [0,1,0,0,0,1|1,0,0]=3 5654 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 269982a_200000213093_200025704644 [0,1,0,0,0,1|1,0,0]=3 5655 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,1,0,0,0,1|1,0,0]=3 5656 B10R0.6 CCCCNC(=O)C[S+](C)C 11a_100000102301_200159257847 [0,1,0,0,0,1|1,0,0]=3 5657 B10R0.6 CCCCNC(=O)C[S+](C)C 1626a_100000102301_200159257847 [0,1,0,0,0,1|1,0,0]=3 5658 B10R0.6 CCCCNC(=O)C[S+](C)C 240690a_100000102301_200159257847 [0,1,0,0,0,1|1,0,0]=3 5659 B10R0.6 CCCCNC(=O)C[S+](C)C 527a_100000102301_200159257847 [0,1,0,0,0,1|1,0,0]=3 5660 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [0,1,0,0,0,1|0,0,0]=2 5661 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [0,1,0,0,0,1|0,0,0]=2 5662 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [0,1,0,0,0,1|0,0,0]=2 5663 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [0,1,0,0,0,1|0,0,0]=2 5664 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [0,1,0,0,0,1|0,0,0]=2 5665 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000102301_100000731052 [0,1,0,0,0,1|1,0,1]=4 5666 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000692259_100000210211 [0,1,0,0,0,1|1,0,1]=4 5667 B10R0.6 CCCCNC(C)CC(C)C 7a_106832991798_100000731052 [0,1,0,0,0,1|1,0,1]=4 5668 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,1,0,0,0,1|1,0,1]=4 5669 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [0,1,0,0,0,1|1,0,0]=3 5670 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [0,1,0,0,0,1|1,0,0]=3 5671 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [0,1,0,0,0,1|1,0,1]=4 5672 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [0,1,0,0,0,1|1,0,1]=4 5673 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [0,1,0,0,0,1|1,0,1]=4 5674 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [0,1,0,0,0,1|1,0,1]=4 5675 B10R0.6 CCCCSC(C)CC(C)C 62a_100000210211_100000731052 [0,1,0,0,0,1|1,0,1]=4 5676 B10R0.6 CCCCSC(C)CC(C)C 62a_100000731052_100000210210 [0,1,0,0,0,1|1,0,1]=4 5677 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [0,1,0,0,0,1|0,0,0]=2 5678 B10R0.6 CCCNNC(=O)C=C(C)C 22a_100000740057_100000211388 [0,1,0,0,0,1|1,0,1]=4 5679 B10R0.6 CCCNNC(=O)CC(C)C 22a_100000740057_100000210554 [0,1,0,0,0,1|1,0,0]=3 5680 B10R0.6 CCCNNC(=O)CN(C)C 22a_100000740057_100000750896 [0,1,0,0,0,1|2,0,0]=4 5681 B10R0.6 CCCNNC(=O)C[C@@H](C)O 22a_100000740057_100011933948 [0,1,0,0,0,1|2,0,0]=4 5682 B10R0.6 CCCNNC(=O)C[S+](C)C 22a_100000740057_200159257847 [0,1,0,0,0,1|2,0,0]=4 5683 B10R0.6 CCCNNC(=O)NC(C)C 273464a_100138425928_100000740057 [0,1,0,0,0,1|1,0,0]=3 5684 B10R0.6 CCCNNC(=O)NC(C)C 512a_100000740057_100138425928 [0,1,0,0,0,1|1,0,0]=3 5685 B10R0.6 CCCNNC(=O)NC(C)C 512a_100138425928_100000740057 [0,1,0,0,0,1|1,0,0]=3 5686 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,1,0,0,0,1|0,0,0]=2 5687 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,1,0,0,0,1|1,0,0]=3 5688 B10R0.6 CCCOCC(=O)CC(F)F 1458a_100000745993_100011934356 [0,1,0,0,0,1|2,0,0]=4 5689 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [0,1,0,0,0,1|0,0,0]=2 5690 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [0,1,0,0,0,1|0,0,0]=2 5691 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [0,1,0,0,0,1|0,0,0]=2 5692 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [0,1,0,0,0,1|0,0,0]=2 5693 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [0,1,0,0,0,1|0,0,0]=2 5694 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,1,0,0,0,1|0,0,0]=2 5695 B10R0.6 CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210303 [0,1,0,0,0,1|1,0,1]=4 5696 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,1,0,0,0,1|0,0,0]=2 5697 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,1,0,0,0,1|1,0,0]=3 5698 B10R0.6 CCCSCC(=O)CC(F)F 1458a_100000217233_100011934356 [0,1,0,0,0,1|2,0,0]=4 5699 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [0,1,0,0,0,1|1,0,1]=4 5700 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [0,1,0,0,0,1|0,0,0]=2 5701 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [0,1,0,0,0,1|0,0,0]=2 5702 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [0,1,0,0,0,1|0,0,0]=2 5703 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [0,1,0,0,0,1|0,0,0]=2 5704 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [0,1,0,0,0,1|0,0,0]=2 5705 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [0,1,0,0,0,1|0,0,0]=2 5706 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,1,0,0,0,1|0,0,0]=2 5707 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,1,0,0,0,1|0,0,0]=2 5708 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [0,1,0,0,0,1|0,0,0]=2 5709 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,1,0,0,0,1|0,0,0]=2 5710 B10R0.6 CCOC=CC(=O)CC(C)C 1458a_100016266692_100000210624 [0,1,0,0,0,1|0,0,2]=4 5711 B10R0.6 CCOC=CC(=O)NC(C)C 11a_100138425928_100016266692 [0,1,0,0,0,1|0,0,2]=4 5712 B10R0.6 CCOC=CC(=O)NC(C)C 1626a_100138425928_100016266692 [0,1,0,0,0,1|0,0,2]=4 5713 B10R0.6 CCOC=CC(=O)NC(C)C 240690a_100138425928_100016266692 [0,1,0,0,0,1|0,0,2]=4 5714 B10R0.6 CCOCCC(=O)C=C(C)C 1458a_100000211388_100011215890 [0,1,0,0,0,1|0,0,1]=3 5715 B10R0.6 CCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215890 [0,1,0,0,0,1|1,0,1]=4 5716 B10R0.6 CCOCCC(=O)C=C(C)I 1458a_100025716642_100011215890 [0,1,0,0,0,1|1,0,1]=4 5717 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,1,0,0,0,1|0,0,0]=2 5718 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,1,0,0,0,1|0,0,0]=2 5719 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,1,0,0,0,1|1,0,0]=3 5720 B10R0.6 CCOCCC(=O)CC(F)F 1458a_100000749530_100011934356 [0,1,0,0,0,1|2,0,0]=4 5721 B10R0.6 CCOCCC(=O)CN(C)C 1458a_100000750896_100011215890 [0,1,0,0,0,1|1,0,0]=3 5722 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,1,0,0,0,1|1,0,0]=3 5723 B10R0.6 CCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215890 [0,1,0,0,0,1|1,0,0]=3 5724 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [0,1,0,0,0,1|0,0,0]=2 5725 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [0,1,0,0,0,1|0,0,0]=2 5726 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [0,1,0,0,0,1|0,0,0]=2 5727 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [0,1,0,0,0,1|0,0,0]=2 5728 B10R0.6 CCOCCN(C)CC(C)C 2230a_100000747067_100011215890 [0,1,0,0,0,1|2,0,0]=4 5729 B10R0.6 CCOCCN(C)CC(C)C 269982a_100000747067_100011215890 [0,1,0,0,0,1|2,0,0]=4 5730 B10R0.6 CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210202 [0,1,0,0,0,1|1,0,1]=4 5731 B10R0.6 CCSCCC(=O)C=C(C)C 1458a_100000211388_100000757381 [0,1,0,0,0,1|0,0,1]=3 5732 B10R0.6 CCSCCC(=O)C=C(C)Cl 1458a_200042562850_100000757381 [0,1,0,0,0,1|1,0,1]=4 5733 B10R0.6 CCSCCC(=O)C=C(C)I 1458a_100025716642_100000757381 [0,1,0,0,0,1|1,0,1]=4 5734 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,1,0,0,0,1|0,0,0]=2 5735 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,1,0,0,0,1|0,0,0]=2 5736 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,1,0,0,0,1|1,0,0]=3 5737 B10R0.6 CCSCCC(=O)CC(F)F 1458a_100000230768_100011934356 [0,1,0,0,0,1|2,0,0]=4 5738 B10R0.6 CCSCCC(=O)CN(C)C 1458a_100000750896_100000757381 [0,1,0,0,0,1|1,0,0]=3 5739 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,1,0,0,0,1|1,0,0]=3 5740 B10R0.6 CCSCCC(=O)C[S+](C)C 1458a_200159257847_100000757381 [0,1,0,0,0,1|1,0,0]=3 5741 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [0,1,0,0,0,1|0,0,0]=2 5742 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [0,1,0,0,0,1|0,0,0]=2 5743 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [0,1,0,0,0,1|0,0,0]=2 5744 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [0,1,0,0,0,1|0,0,0]=2 5745 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [0,1,0,0,0,1|0,0,0]=2 5746 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [0,1,0,0,0,1|0,0,0]=2 5747 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,1,0,0,0,1|0,0,0]=2 5748 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,1,0,0,0,1|0,0,0]=2 5749 B10R0.6 CCSCCN(C)CC(C)C 2230a_100000747067_100000757381 [0,1,0,0,0,1|2,0,0]=4 5750 B10R0.6 CCSCCN(C)CC(C)C 269982a_100000747067_100000757381 [0,1,0,0,0,1|2,0,0]=4 5751 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [0,1,0,0,0,1|1,0,0]=3 5752 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [0,1,0,0,0,1|1,0,0]=3 5753 B10R0.6 CN(C)CC(=O)CCCC#N 1458a_100000750896_100000211468 [0,1,0,0,0,1|1,0,1]=4 5754 B10R0.6 CN(C)CC(=O)CCCCF 1458a_100000750896_100000729493 [0,1,0,0,0,1|1,0,0]=3 5755 B10R0.6 CN(C)CC(=O)CCCCO 1458a_100000750896_100000210776 [0,1,0,0,0,1|1,0,0]=3 5756 B10R0.6 CN(C)CC(=O)NCCCF 11a_100015189416_100000750896 [0,1,0,0,0,1|2,0,0]=4 5757 B10R0.6 CN(C)CC(=O)NCCCF 240690a_100015189416_100000750896 [0,1,0,0,0,1|2,0,0]=4 5758 B10R0.6 CN(C)CC(=O)NCCCF 527a_100015189416_100000750896 [0,1,0,0,0,1|2,0,0]=4 5759 B10R0.6 CN(C)CC(=O)NCCCO 240690a_100000182051_100000750896 [0,1,0,0,0,1|2,0,0]=4 5760 B10R0.6 CN(C)CC(=O)NCCCO 527a_100000182051_100000750896 [0,1,0,0,0,1|2,0,0]=4 5761 B10R0.6 COCC=CC(=O)CC(C)C 1458a_100016285016_100000210624 [0,1,0,0,0,1|0,0,2]=4 5762 B10R0.6 COCC=CC(=O)NC(C)C 11a_100138425928_100016285016 [0,1,0,0,0,1|0,0,2]=4 5763 B10R0.6 COCC=CC(=O)NC(C)C 1626a_100138425928_100016285016 [0,1,0,0,0,1|0,0,2]=4 5764 B10R0.6 COCC=CC(=O)NC(C)C 240690a_100138425928_100016285016 [0,1,0,0,0,1|0,0,2]=4 5765 B10R0.6 COCCCC(=O)C=C(C)C 1458a_100000211388_100000740836 [0,1,0,0,0,1|0,0,1]=3 5766 B10R0.6 COCCCC(=O)C=C(C)Cl 1458a_200042562850_100000740836 [0,1,0,0,0,1|1,0,1]=4 5767 B10R0.6 COCCCC(=O)C=C(C)I 1458a_100025716642_100000740836 [0,1,0,0,0,1|1,0,1]=4 5768 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,1,0,0,0,1|0,0,0]=2 5769 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,1,0,0,0,1|0,0,0]=2 5770 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,1,0,0,0,1|1,0,0]=3 5771 B10R0.6 COCCCC(=O)CC(F)F 1458a_100000741012_100011934356 [0,1,0,0,0,1|2,0,0]=4 5772 B10R0.6 COCCCC(=O)CN(C)C 1458a_100000750896_100000740836 [0,1,0,0,0,1|1,0,0]=3 5773 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,1,0,0,0,1|1,0,0]=3 5774 B10R0.6 COCCCC(=O)C[S+](C)C 1458a_200159257847_100000740836 [0,1,0,0,0,1|1,0,0]=3 5775 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [0,1,0,0,0,1|0,0,0]=2 5776 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [0,1,0,0,0,1|0,0,0]=2 5777 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [0,1,0,0,0,1|0,0,0]=2 5778 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [0,1,0,0,0,1|0,0,0]=2 5779 B10R0.6 COCCCC(C)OC(C)C 34a_200011539412_100000210206 [0,1,0,0,0,1|1,0,1]=4 5780 B10R0.6 COCCCC(C)OC(C)C 7a_200011539412_100000210206 [0,1,0,0,0,1|1,0,1]=4 5781 B10R0.6 COCCCN(C)CC(C)C 2230a_100000224831_100000210760 [0,1,0,0,0,1|2,0,0]=4 5782 B10R0.6 COCCCN(C)CC(C)C 2230a_100000747067_100000740836 [0,1,0,0,0,1|2,0,0]=4 5783 B10R0.6 COCCCN(C)CC(C)C 269982a_100000224831_100000210624 [0,1,0,0,0,1|2,0,0]=4 5784 B10R0.6 COCCCN(C)CC(C)C 269982a_100000747067_100000740836 [0,1,0,0,0,1|2,0,0]=4 5785 B10R0.6 COCCCN(C)CC(C)C 270004a_100000224831_100000210432 [0,1,0,0,0,1|2,0,0]=4 5786 B10R0.6 COCCNC(=O)C=C(C)C 1626a_100000209980_100000211388 [0,1,0,0,0,1|1,0,1]=4 5787 B10R0.6 COCCNC(=O)C=C(C)C 240690a_100000209980_100000211388 [0,1,0,0,0,1|1,0,1]=4 5788 B10R0.6 COCCNC(=O)CC(C)C 1626a_100000209980_100000210554 [0,1,0,0,0,1|1,0,0]=3 5789 B10R0.6 COCCNC(=O)CC(C)C 240690a_100000209980_100000210554 [0,1,0,0,0,1|1,0,0]=3 5790 B10R0.6 COCCNC(=O)CC(C)C 527a_100000209980_100000210554 [0,1,0,0,0,1|1,0,0]=3 5791 B10R0.6 COCCNC(=O)CN(C)C 2230a_100020672463_200000210301 [0,1,0,0,0,1|2,0,0]=4 5792 B10R0.6 COCCNC(=O)CN(C)C 2230a_100102631434_100000183275 [0,1,0,0,0,1|2,0,0]=4 5793 B10R0.6 COCCNC(=O)CN(C)C 240690a_100000209980_100000750896 [0,1,0,0,0,1|2,0,0]=4 5794 B10R0.6 COCCNC(=O)CN(C)C 269982a_100020672463_200000210301 [0,1,0,0,0,1|2,0,0]=4 5795 B10R0.6 COCCNC(=O)CN(C)C 269982a_100102631434_100000183275 [0,1,0,0,0,1|2,0,0]=4 5796 B10R0.6 COCCNC(=O)CN(C)C 527a_100000209980_100000750896 [0,1,0,0,0,1|2,0,0]=4 5797 B10R0.6 COCCNC(=O)CN(C)[13CH3] 2230a_100020672463_200025704644 [0,1,0,0,0,1|2,0,0]=4 5798 B10R0.6 COCCNC(=O)CN(C)[13CH3] 269982a_100020672463_200025704644 [0,1,0,0,0,1|2,0,0]=4 5799 B10R0.6 COCCNC(=O)C[C@@H](C)O 240690a_100000209980_100011933948 [0,1,0,0,0,1|2,0,0]=4 5800 B10R0.6 COCCNC(=O)C[S+](C)C 1626a_100000209980_200159257847 [0,1,0,0,0,1|2,0,0]=4 5801 B10R0.6 COCCNC(=O)C[S+](C)C 240690a_100000209980_200159257847 [0,1,0,0,0,1|2,0,0]=4 5802 B10R0.6 COCCNC(=O)C[S+](C)C 527a_100000209980_200159257847 [0,1,0,0,0,1|2,0,0]=4 5803 B10R0.6 COCCNC(=O)NC(C)C 2708a_100138425928_100000209980 [0,1,0,0,0,1|1,0,0]=3 5804 B10R0.6 COCCNC(=O)NC(C)C 273464a_100138425928_100000209980 [0,1,0,0,0,1|1,0,0]=3 5805 B10R0.6 COCCOC(=O)CN(C)C 2230a_100102631434_200000040189 [0,1,0,0,0,1|2,0,0]=4 5806 B10R0.6 COCCOC(=O)CN(C)C 269982a_100102631434_200000040189 [0,1,0,0,0,1|2,0,0]=4 5807 B10R0.6 COCNCC(=O)NC(C)C 2230a_100000168517_100000766300 [0,1,0,0,0,1|1,0,0]=3 5808 B10R0.6 COCSCC(=O)NC(C)C 62a_100000183996_100000766300 [0,1,0,0,0,1|1,0,0]=3 5809 B10R0.6 COCSCC(=O)NC(C)C 62a_100000766300_100000183996 [0,1,0,0,0,1|1,0,0]=3 5810 B10R0.6 COCSCC(=O)OC(C)C 62a_100000766300_100011215430 [0,1,0,0,0,1|1,0,0]=3 5811 B10R0.6 COCSCC(=O)OC(C)C 62a_100011215430_100000766300 [0,1,0,0,0,1|1,0,0]=3 5812 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,1,0,0,0,1|0,0,0]=2 5813 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,1,0,0,0,1|1,0,0]=3 5814 B10R0.6 CSCCCC(=O)CC(F)F 1458a_100000173376_100011934356 [0,1,0,0,0,1|2,0,0]=4 5815 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [0,1,0,0,0,1|0,0,0]=2 5816 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [0,1,0,0,0,1|0,0,0]=2 5817 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [0,1,0,0,0,1|0,0,0]=2 5818 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [0,1,0,0,0,1|0,0,0]=2 5819 B10R0.6 CSCCNC(=O)C=C(C)C 11a_100020590264_100000211388 [0,1,0,0,0,1|1,0,1]=4 5820 B10R0.6 CSCCNC(=O)C=C(C)C 1626a_100020590264_100000211388 [0,1,0,0,0,1|1,0,1]=4 5821 B10R0.6 CSCCNC(=O)C=C(C)C 240690a_100020590264_100000211388 [0,1,0,0,0,1|1,0,1]=4 5822 B10R0.6 CSCCNC(=O)CC(C)C 11a_100020590264_100000210554 [0,1,0,0,0,1|1,0,0]=3 5823 B10R0.6 CSCCNC(=O)CC(C)C 1626a_100020590264_100000210554 [0,1,0,0,0,1|1,0,0]=3 5824 B10R0.6 CSCCNC(=O)CC(C)C 240690a_100020590264_100000210554 [0,1,0,0,0,1|1,0,0]=3 5825 B10R0.6 CSCCNC(=O)CC(C)C 527a_100020590264_100000210554 [0,1,0,0,0,1|1,0,0]=3 5826 B10R0.6 CSCCNC(=O)CN(C)C 11a_100020590264_100000750896 [0,1,0,0,0,1|2,0,0]=4 5827 B10R0.6 CSCCNC(=O)CN(C)C 240690a_100020590264_100000750896 [0,1,0,0,0,1|2,0,0]=4 5828 B10R0.6 CSCCNC(=O)CN(C)C 527a_100020590264_100000750896 [0,1,0,0,0,1|2,0,0]=4 5829 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [0,1,0,0,0,1|2,0,0]=4 5830 B10R0.6 CSCCNC(=O)C[S+](C)C 11a_100020590264_200159257847 [0,1,0,0,0,1|2,0,0]=4 5831 B10R0.6 CSCCNC(=O)C[S+](C)C 1626a_100020590264_200159257847 [0,1,0,0,0,1|2,0,0]=4 5832 B10R0.6 CSCCNC(=O)C[S+](C)C 240690a_100020590264_200159257847 [0,1,0,0,0,1|2,0,0]=4 5833 B10R0.6 CSCCNC(=O)C[S+](C)C 527a_100020590264_200159257847 [0,1,0,0,0,1|2,0,0]=4 5834 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100020590264_100138425928 [0,1,0,0,0,1|1,0,0]=3 5835 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100138425928_100020590264 [0,1,0,0,0,1|1,0,0]=3 5836 B10R0.6 CSCCNC(=O)NC(C)C 273464a_100138425928_100020590264 [0,1,0,0,0,1|1,0,0]=3 5837 B10R0.6 CSCCNC(=O)NC(C)C 512a_100020590264_100138425928 [0,1,0,0,0,1|1,0,0]=3 5838 B10R0.6 CSCCNC(=O)NC(C)C 512a_100138425928_100020590264 [0,1,0,0,0,1|1,0,0]=3 5839 B10R0.6 CSCNCC(=O)NC(C)C 2230a_100000168517_100011218213 [0,1,0,0,0,1|1,0,0]=3 5840 B10R0.6 CSCSCC(=O)NC(C)C 62a_100000183996_100011218213 [0,1,0,0,0,1|1,0,0]=3 5841 B10R0.6 CSCSCC(=O)NC(C)C 62a_100011218213_100000183996 [0,1,0,0,0,1|1,0,0]=3 5842 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [0,1,0,0,0,1|1,0,0]=3 5843 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [0,1,0,0,0,1|1,0,0]=3 5844 B10R0.6 C[C@@H](O)CC(=O)CCCC#N 1458a_100011933948_100000211468 [0,1,0,0,0,1|1,0,1]=4 5845 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,1,0,0,0,1|1,0,0]=3 5846 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,1,0,0,0,1|1,0,0]=3 5847 B10R0.6 C[C@@H](O)CC(=O)NCCCF 240690a_100015189416_100011933948 [0,1,0,0,0,1|2,0,0]=4 5848 B10R0.6 C[C@@H](O)CC(=O)NCCCO 240690a_100000182051_100011933948 [0,1,0,0,0,1|2,0,0]=4 5849 B10R0.6 C[S+](C)CC(=O)CCCC#N 1458a_200159257847_100000211468 [0,1,0,0,0,1|1,0,1]=4 5850 B10R0.6 C[S+](C)CC(=O)CCCCF 1458a_200159257847_100000729493 [0,1,0,0,0,1|1,0,0]=3 5851 B10R0.6 C[S+](C)CC(=O)CCCCO 1458a_200159257847_100000210776 [0,1,0,0,0,1|1,0,0]=3 5852 B10R0.6 C[S+](C)CC(=O)NCCCF 11a_100015189416_200159257847 [0,1,0,0,0,1|2,0,0]=4 5853 B10R0.6 C[S+](C)CC(=O)NCCCF 1626a_100015189416_200159257847 [0,1,0,0,0,1|2,0,0]=4 5854 B10R0.6 C[S+](C)CC(=O)NCCCF 240690a_100015189416_200159257847 [0,1,0,0,0,1|2,0,0]=4 5855 B10R0.6 C[S+](C)CC(=O)NCCCF 527a_100015189416_200159257847 [0,1,0,0,0,1|2,0,0]=4 5856 B10R0.6 C[S+](C)CC(=O)NCCCO 240690a_100000182051_200159257847 [0,1,0,0,0,1|2,0,0]=4 5857 B10R0.6 C[S+](C)CC(=O)NCCCO 527a_100000182051_200159257847 [0,1,0,0,0,1|2,0,0]=4 5858 B10R0.6 O=C(CCCCO)CC(F)F 1458a_100000695505_100011934356 [0,1,0,0,0,1|2,0,0]=4 5859 B10R0.18 C#CC(C)NC(=O)CCCC 11a_100000707721_100000210183 [0,1,0,0,0,1|0,0,1]=3 5860 B10R0.18 C#CC(C)NC(=O)CCCC 1626a_100000707721_100000210183 [0,1,0,0,0,1|0,0,1]=3 5861 B10R0.18 C#CC(C)NC(=O)CCCC 240690a_100000707721_100000210183 [0,1,0,0,0,1|0,0,1]=3 5862 B10R0.18 C#CC(C)NC(=O)CCCC 527a_100000707721_100000210183 [0,1,0,0,0,1|0,0,1]=3 5863 B10R0.18 C#CC(C)NC(=O)CCOC 11a_100000707721_100000749529 [0,1,0,0,0,1|1,0,1]=4 5864 B10R0.18 C#CC(C)NC(=O)CCOC 1626a_100000707721_100000749529 [0,1,0,0,0,1|1,0,1]=4 5865 B10R0.18 C#CC(C)NC(=O)CCOC 240690a_100000707721_100000749529 [0,1,0,0,0,1|1,0,1]=4 5866 B10R0.18 C#CC(C)NC(=O)CCOC 527a_100000707721_100000749529 [0,1,0,0,0,1|1,0,1]=4 5867 B10R0.18 C#CC(C)NC(=O)CCSC 11a_100000707721_100000174002 [0,1,0,0,0,1|1,0,1]=4 5868 B10R0.18 C#CC(C)NC(=O)CCSC 1626a_100000707721_100000174002 [0,1,0,0,0,1|1,0,1]=4 5869 B10R0.18 C#CC(C)NC(=O)CCSC 240690a_100000707721_100000174002 [0,1,0,0,0,1|1,0,1]=4 5870 B10R0.18 C#CC(C)NC(=O)CCSC 527a_100000707721_100000174002 [0,1,0,0,0,1|1,0,1]=4 5871 B10R0.18 C#CC(C)NC(=O)COCC 11a_100000707721_100000211967 [0,1,0,0,0,1|1,0,1]=4 5872 B10R0.18 C#CC(C)NC(=O)COCC 1626a_100000707721_100000211967 [0,1,0,0,0,1|1,0,1]=4 5873 B10R0.18 C#CC(C)NC(=O)COCC 240690a_100000707721_100000211967 [0,1,0,0,0,1|1,0,1]=4 5874 B10R0.18 C#CC(C)NC(=O)COCC 527a_100000707721_100000211967 [0,1,0,0,0,1|1,0,1]=4 5875 B10R0.18 C#CC(C)NC(=O)CSCC 11a_100000707721_100000230394 [0,1,0,0,0,1|1,0,1]=4 5876 B10R0.18 C#CC(C)NC(=O)CSCC 1626a_100000707721_100000230394 [0,1,0,0,0,1|1,0,1]=4 5877 B10R0.18 C#CC(C)NC(=O)CSCC 240690a_100000707721_100000230394 [0,1,0,0,0,1|1,0,1]=4 5878 B10R0.18 C#CC(C)NC(=O)CSCC 527a_100000707721_100000230394 [0,1,0,0,0,1|1,0,1]=4 5879 B10R0.18 C#CC(C)NC(=O)NCCC 2708a_100000707721_100020643023 [0,1,0,0,0,1|1,0,1]=4 5880 B10R0.18 C#CC(C)NC(=O)NCCC 2708a_100020643023_100000707721 [0,1,0,0,0,1|1,0,1]=4 5881 B10R0.18 C#CC(C)NC(=O)NCCC 273464a_100000707721_100020643023 [0,1,0,0,0,1|1,0,1]=4 5882 B10R0.18 C#CC(C)NC(=O)NCCC 273464a_100020643023_100000707721 [0,1,0,0,0,1|1,0,1]=4 5883 B10R0.18 C#CC(C)NC(=O)NCCC 512a_100000707721_100020643023 [0,1,0,0,0,1|1,0,1]=4 5884 B10R0.18 C#CC(C)NC(=O)NCCC 512a_100020643023_100000707721 [0,1,0,0,0,1|1,0,1]=4 5885 B10R0.18 C#CCCC(=O)CC(C)CC 1458a_100000692101_100000748023 [0,1,0,0,0,1|0,0,2]=4 5886 B10R0.18 C#CCCC(=O)CC(C)CC 1458a_100000708755_100000753159 [0,1,0,0,0,1|0,0,2]=4 5887 B10R0.18 C#CCCC(=O)C[C@@H](C)CC 1458a_100000692101_100009816398 [0,1,0,0,0,1|0,0,2]=4 5888 B10R0.18 C#CCCC(=O)C[C@@H](C)CO 1458a_100000692101_100000059175 [0,1,0,0,0,1|0,0,2]=4 5889 B10R0.18 C#CCCC(=O)NC(C)CC 11a_100000209981_100000692101 [0,1,0,0,0,1|0,0,2]=4 5890 B10R0.18 C#CCCC(=O)NC(C)CC 1626a_100000209981_100000692101 [0,1,0,0,0,1|0,0,2]=4 5891 B10R0.18 C#CCCC(=O)NC(C)CC 240690a_100000209981_100000692101 [0,1,0,0,0,1|0,0,2]=4 5892 B10R0.18 C#CCCC(=O)NC(C)CC 527a_100000209981_100000692101 [0,1,0,0,0,1|0,0,2]=4 5893 B10R0.18 C#CCCC(=O)N[C@H](C)CF 11a_100102880703_100000692101 [0,1,0,0,0,1|0,0,2]=4 5894 B10R0.18 C#CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000692101 [0,1,0,0,0,1|0,0,2]=4 5895 B10R0.18 C#CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000692101 [0,1,0,0,0,1|0,0,2]=4 5896 B10R0.18 C#CCCC(=O)N[C@H](C)CF 527a_100102880703_100000692101 [0,1,0,0,0,1|0,0,2]=4 5897 B10R0.18 C#CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000692101 [0,1,0,0,0,1|0,0,2]=4 5898 B10R0.18 C#CCCC(=O)N[C@H](C)CO 527a_100000737577_100000692101 [0,1,0,0,0,1|0,0,2]=4 5899 B10R0.18 C/C=C/CC(=O)CC(C)CC 1458a_100000708755_100102629194 [0,1,0,0,0,1|0,0,2]=4 5900 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [0,1,0,0,0,1|0,0,1]=3 5901 B10R0.18 C=CC(C)CC(=O)CCCF 1458a_100011934298_100011934791 [0,1,0,0,0,1|1,0,1]=4 5902 B10R0.18 C=CC(C)CC(=O)CCCO 1458a_100011934298_100011215043 [0,1,0,0,0,1|1,0,1]=4 5903 B10R0.18 C=CC(C)CC(=O)CCOC 1458a_100011934298_100000233755 [0,1,0,0,0,1|1,0,1]=4 5904 B10R0.18 C=CC(C)CC(=O)CCSC 1458a_100011934298_100000751147 [0,1,0,0,0,1|1,0,1]=4 5905 B10R0.18 C=CC(C)CC(=O)NCCC 11a_100020643023_100011934298 [0,1,0,0,0,1|1,0,1]=4 5906 B10R0.18 C=CC(C)CC(=O)NCCC 1626a_100020643023_100011934298 [0,1,0,0,0,1|1,0,1]=4 5907 B10R0.18 C=CC(C)CC(=O)NCCC 240690a_100020643023_100011934298 [0,1,0,0,0,1|1,0,1]=4 5908 B10R0.18 C=CC(C)CC(=O)NCCC 527a_100020643023_100011934298 [0,1,0,0,0,1|1,0,1]=4 5909 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000708755_100000754431 [0,1,0,0,0,1|0,0,2]=4 5910 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000749702_100000748023 [0,1,0,0,0,1|0,0,2]=4 5911 B10R0.18 C=CCCC(=O)C[C@@H](C)CC 1458a_100000749702_100009816398 [0,1,0,0,0,1|0,0,2]=4 5912 B10R0.18 C=CCCC(=O)C[C@@H](C)CO 1458a_100000749702_100000059175 [0,1,0,0,0,1|0,0,2]=4 5913 B10R0.18 C=CCCC(=O)NC(C)CC 11a_100000209981_100000749702 [0,1,0,0,0,1|0,0,2]=4 5914 B10R0.18 C=CCCC(=O)NC(C)CC 1626a_100000209981_100000749702 [0,1,0,0,0,1|0,0,2]=4 5915 B10R0.18 C=CCCC(=O)NC(C)CC 240690a_100000209981_100000749702 [0,1,0,0,0,1|0,0,2]=4 5916 B10R0.18 C=CCCC(=O)NC(C)CC 527a_100000209981_100000749702 [0,1,0,0,0,1|0,0,2]=4 5917 B10R0.18 C=CCCC(=O)N[C@H](C)CF 11a_100102880703_100000749702 [0,1,0,0,0,1|0,0,2]=4 5918 B10R0.18 C=CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000749702 [0,1,0,0,0,1|0,0,2]=4 5919 B10R0.18 C=CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000749702 [0,1,0,0,0,1|0,0,2]=4 5920 B10R0.18 C=CCCC(=O)N[C@H](C)CF 527a_100102880703_100000749702 [0,1,0,0,0,1|0,0,2]=4 5921 B10R0.18 C=CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749702 [0,1,0,0,0,1|0,0,2]=4 5922 B10R0.18 C=CCCC(=O)N[C@H](C)CO 527a_100000737577_100000749702 [0,1,0,0,0,1|0,0,2]=4 5923 B10R0.18 CC#CCC(=O)CC(C)CC 1458a_100000708755_100000748600 [0,1,0,0,0,1|0,0,2]=4 5924 B10R0.18 CC=CCC(=O)CC(C)CC 1458a_100000708755_100000070051 [0,1,0,0,0,1|0,0,2]=4 5925 B10R0.18 CC=CCC(=O)CC(C)CC 1458a_100121576822_100000748023 [0,1,0,0,0,1|0,0,2]=4 5926 B10R0.18 CC=CCC(=O)C[C@@H](C)CC 1458a_100121576822_100009816398 [0,1,0,0,0,1|0,0,2]=4 5927 B10R0.18 CC=CCC(=O)C[C@@H](C)CO 1458a_100121576822_100000059175 [0,1,0,0,0,1|0,0,2]=4 5928 B10R0.18 CC=CCC(=O)NC(C)CC 11a_100000209981_100121576822 [0,1,0,0,0,1|0,0,2]=4 5929 B10R0.18 CC=CCC(=O)NC(C)CC 1626a_100000209981_100121576822 [0,1,0,0,0,1|0,0,2]=4 5930 B10R0.18 CC=CCC(=O)NC(C)CC 240690a_100000209981_100121576822 [0,1,0,0,0,1|0,0,2]=4 5931 B10R0.18 CC=CCC(=O)NC(C)CC 527a_100000209981_100121576822 [0,1,0,0,0,1|0,0,2]=4 5932 B10R0.18 CC=CCC(=O)N[C@H](C)CF 11a_100102880703_100121576822 [0,1,0,0,0,1|0,0,2]=4 5933 B10R0.18 CC=CCC(=O)N[C@H](C)CF 1626a_100102880703_100121576822 [0,1,0,0,0,1|0,0,2]=4 5934 B10R0.18 CC=CCC(=O)N[C@H](C)CF 240690a_100102880703_100121576822 [0,1,0,0,0,1|0,0,2]=4 5935 B10R0.18 CC=CCC(=O)N[C@H](C)CF 527a_100102880703_100121576822 [0,1,0,0,0,1|0,0,2]=4 5936 B10R0.18 CC=CCC(=O)N[C@H](C)CO 240690a_100000737577_100121576822 [0,1,0,0,0,1|0,0,2]=4 5937 B10R0.18 CC=CCC(=O)N[C@H](C)CO 527a_100000737577_100121576822 [0,1,0,0,0,1|0,0,2]=4 5938 B10R0.18 CCC#CC(=O)CC(C)CC 1458a_100011827653_100000748023 [0,1,0,0,0,1|0,0,2]=4 5939 B10R0.18 CCC#CC(=O)C[C@@H](C)CC 1458a_100011827653_100009816398 [0,1,0,0,0,1|0,0,2]=4 5940 B10R0.18 CCC#CC(=O)C[C@@H](C)CO 1458a_100011827653_100000059175 [0,1,0,0,0,1|0,0,2]=4 5941 B10R0.18 CCC(=CC(=O)CCCF)C 1458a_100020758463_100011934791 [0,1,0,0,0,1|1,0,1]=4 5942 B10R0.18 CCC(=CC(=O)CCCO)C 1458a_100020758463_100011215043 [0,1,0,0,0,1|1,0,1]=4 5943 B10R0.18 CCC(=CC(=O)CCOC)C 1458a_100020758463_100000233755 [0,1,0,0,0,1|1,0,1]=4 5944 B10R0.18 CCC(=CC(=O)CCSC)C 1458a_100020758463_100000751147 [0,1,0,0,0,1|1,0,1]=4 5945 B10R0.18 CCC(C)CC(=O)CCC#N 1458a_100000708755_100011215226 [0,1,0,0,0,1|1,0,1]=4 5946 B10R0.18 CCC(C)CC(=O)CCC#N 1458a_100011934036_100000748023 [0,1,0,0,0,1|1,0,1]=4 5947 B10R0.18 CCC(C)CC(=O)CCCF 1458a_100000708755_100011934791 [0,1,0,0,0,1|1,0,0]=3 5948 B10R0.18 CCC(C)CC(=O)CCCO 1458a_100000708755_100011215043 [0,1,0,0,0,1|1,0,0]=3 5949 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000708755_100000233755 [0,1,0,0,0,1|1,0,0]=3 5950 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000749529_100000748023 [0,1,0,0,0,1|1,0,0]=3 5951 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000174002_100000748023 [0,1,0,0,0,1|1,0,0]=3 5952 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000708755_100000751147 [0,1,0,0,0,1|1,0,0]=3 5953 B10R0.18 CCC(C)CC(=O)NCCF 11a_100000724931_100000708755 [0,1,0,0,0,1|2,0,0]=4 5954 B10R0.18 CCC(C)CC(=O)NCCF 1626a_100000724931_100000708755 [0,1,0,0,0,1|2,0,0]=4 5955 B10R0.18 CCC(C)CC(=O)NCCF 240690a_100000724931_100000708755 [0,1,0,0,0,1|2,0,0]=4 5956 B10R0.18 CCC(C)CC(=O)NCCF 527a_100000724931_100000708755 [0,1,0,0,0,1|2,0,0]=4 5957 B10R0.18 CCC(C)CC(=O)NCCO 240690a_100000210304_100000708755 [0,1,0,0,0,1|2,0,0]=4 5958 B10R0.18 CCC(C)CC(=O)NCCO 527a_100000210304_100000708755 [0,1,0,0,0,1|2,0,0]=4 5959 B10R0.18 CCC(C)NC(=O)CCC#N 11a_100000209981_100011934036 [0,1,0,0,0,1|1,0,1]=4 5960 B10R0.18 CCC(C)NC(=O)CCC#N 1626a_100000209981_100011934036 [0,1,0,0,0,1|1,0,1]=4 5961 B10R0.18 CCC(C)NC(=O)CCC#N 240690a_100000209981_100011934036 [0,1,0,0,0,1|1,0,1]=4 5962 B10R0.18 CCC(C)NC(=O)CCC#N 527a_100000209981_100011934036 [0,1,0,0,0,1|1,0,1]=4 5963 B10R0.18 CCC(C)NC(=O)CCOC 11a_100000209981_100000749529 [0,1,0,0,0,1|1,0,0]=3 5964 B10R0.18 CCC(C)NC(=O)CCOC 1626a_100000209981_100000749529 [0,1,0,0,0,1|1,0,0]=3 5965 B10R0.18 CCC(C)NC(=O)CCOC 240690a_100000209981_100000749529 [0,1,0,0,0,1|1,0,0]=3 5966 B10R0.18 CCC(C)NC(=O)CCOC 527a_100000209981_100000749529 [0,1,0,0,0,1|1,0,0]=3 5967 B10R0.18 CCC(C)NC(=O)CCSC 11a_100000209981_100000174002 [0,1,0,0,0,1|1,0,0]=3 5968 B10R0.18 CCC(C)NC(=O)CCSC 1626a_100000209981_100000174002 [0,1,0,0,0,1|1,0,0]=3 5969 B10R0.18 CCC(C)NC(=O)CCSC 240690a_100000209981_100000174002 [0,1,0,0,0,1|1,0,0]=3 5970 B10R0.18 CCC(C)NC(=O)CCSC 527a_100000209981_100000174002 [0,1,0,0,0,1|1,0,0]=3 5971 B10R0.18 CCC(C)NC(=O)CSCF 62a_100000182745_100015361967 [0,1,0,0,0,1|2,0,0]=4 5972 B10R0.18 CCC(C)NC(=O)CSCF 62a_100015361967_100000182745 [0,1,0,0,0,1|2,0,0]=4 5973 B10R0.18 CCC(C)NC(=O)NCCF 2708a_100000209981_100000724931 [0,1,0,0,0,1|2,0,0]=4 5974 B10R0.18 CCC(C)NC(=O)NCCF 273464a_100000209981_100000724931 [0,1,0,0,0,1|2,0,0]=4 5975 B10R0.18 CCC(C)NC(=O)NCCF 273464a_100000724931_100000209981 [0,1,0,0,0,1|2,0,0]=4 5976 B10R0.18 CCC(C)NC(=O)NCCF 512a_100000209981_100000724931 [0,1,0,0,0,1|2,0,0]=4 5977 B10R0.18 CCC(C)NC(=O)NCCO 2708a_100000209981_100000210304 [0,1,0,0,0,1|2,0,0]=4 5978 B10R0.18 CCC(C)NC(=O)NCCO 273464a_100000209981_100000210304 [0,1,0,0,0,1|2,0,0]=4 5979 B10R0.18 CCC(C)NC(=O)NCCO 273464a_100000210304_100000209981 [0,1,0,0,0,1|2,0,0]=4 5980 B10R0.18 CCC(C)NC(=O)NCCO 512a_100000209981_100000210304 [0,1,0,0,0,1|2,0,0]=4 5981 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [0,1,0,0,0,1|2,0,0]=4 5982 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [0,1,0,0,0,1|2,0,0]=4 5983 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [0,1,0,0,0,1|2,0,0]=4 5984 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [0,1,0,0,0,1|2,0,0]=4 5985 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [0,1,0,0,0,1|2,0,0]=4 5986 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [0,1,0,0,0,1|2,0,0]=4 5987 B10R0.18 CCC=CC(=O)CC(C)CC 1458a_100000212282_100000748023 [0,1,0,0,0,1|0,0,2]=4 5988 B10R0.18 CCC=CC(=O)C[C@@H](C)CC 1458a_100000212282_100009816398 [0,1,0,0,0,1|0,0,2]=4 5989 B10R0.18 CCC=CC(=O)C[C@@H](C)CO 1458a_100000212282_100000059175 [0,1,0,0,0,1|0,0,2]=4 5990 B10R0.18 CCC=CC(=O)NC(C)CC 11a_100000209981_100000212282 [0,1,0,0,0,1|0,0,2]=4 5991 B10R0.18 CCC=CC(=O)NC(C)CC 1626a_100000209981_100000212282 [0,1,0,0,0,1|0,0,2]=4 5992 B10R0.18 CCC=CC(=O)NC(C)CC 240690a_100000209981_100000212282 [0,1,0,0,0,1|0,0,2]=4 5993 B10R0.18 CCC=CC(=O)N[C@H](C)CF 11a_100102880703_100000212282 [0,1,0,0,0,1|0,0,2]=4 5994 B10R0.18 CCC=CC(=O)N[C@H](C)CF 1626a_100102880703_100000212282 [0,1,0,0,0,1|0,0,2]=4 5995 B10R0.18 CCC=CC(=O)N[C@H](C)CF 240690a_100102880703_100000212282 [0,1,0,0,0,1|0,0,2]=4 5996 B10R0.18 CCC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000212282 [0,1,0,0,0,1|0,0,2]=4 5997 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [0,1,0,0,0,1|0,0,1]=3 5998 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,1,0,0,0,1|1,0,1]=4 5999 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,1,0,0,0,1|1,0,1]=4 6000 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,1,0,0,0,1|1,0,1]=4 6001 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,1,0,0,0,1|1,0,1]=4 6002 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [0,1,0,0,0,1|0,0,0]=2 6003 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [0,1,0,0,0,1|0,0,0]=2 6004 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,1,0,0,0,1|1,0,0]=3 6005 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,1,0,0,0,1|1,0,0]=3 6006 B10R0.18 CCCCC(=O)CN(C)CC 1458a_100116209913_100000210211 [0,1,0,0,0,1|1,0,0]=3 6007 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [0,1,0,0,0,1|0,0,0]=2 6008 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [0,1,0,0,0,1|0,0,0]=2 6009 B10R0.18 CCCCC(=O)NC(C)C#N 11a_100000737613_100000210183 [0,1,0,0,0,1|0,0,1]=3 6010 B10R0.18 CCCCC(=O)NC(C)C#N 1626a_100000737613_100000210183 [0,1,0,0,0,1|0,0,1]=3 6011 B10R0.18 CCCCC(=O)NC(C)C#N 527a_100000737613_100000210183 [0,1,0,0,0,1|0,0,1]=3 6012 B10R0.18 CCCCC(=O)NC(C)CC 11a_100000209981_100000210183 [0,1,0,0,0,1|0,0,0]=2 6013 B10R0.18 CCCCC(=O)NC(C)CC 1626a_100000209981_100000210183 [0,1,0,0,0,1|0,0,0]=2 6014 B10R0.18 CCCCC(=O)NC(C)CC 240690a_100000209981_100000210183 [0,1,0,0,0,1|0,0,0]=2 6015 B10R0.18 CCCCC(=O)NC(C)CC 527a_100000209981_100000210183 [0,1,0,0,0,1|0,0,0]=2 6016 B10R0.18 CCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210183 [0,1,0,0,0,1|0,0,0]=2 6017 B10R0.18 CCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210183 [0,1,0,0,0,1|0,0,0]=2 6018 B10R0.18 CCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210183 [0,1,0,0,0,1|0,0,0]=2 6019 B10R0.18 CCCCC(=O)N[C@H](C)CF 527a_100102880703_100000210183 [0,1,0,0,0,1|0,0,0]=2 6020 B10R0.18 CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210183 [0,1,0,0,0,1|0,0,0]=2 6021 B10R0.18 CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210183 [0,1,0,0,0,1|0,0,0]=2 6022 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000126638_100000758301 [0,1,0,0,0,1|1,0,1]=4 6023 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000209981_200011215066 [0,1,0,0,0,1|1,0,1]=4 6024 B10R0.18 CCCCC(C)NC(C)CC 270004a_100000209981_100000210087 [0,1,0,0,0,1|1,0,1]=4 6025 B10R0.18 CCCCC(C)NC(C)CO 2230a_100000126638_100012180447 [0,1,0,0,0,1|1,0,1]=4 6026 B10R0.18 CCCCC(C)N[C@H](C)CF 270004a_100102880703_100000210087 [0,1,0,0,0,1|1,0,1]=4 6027 B10R0.18 CCCCC(C)N[C@H](C)CO 2230a_100000737577_200011215066 [0,1,0,0,0,1|1,0,1]=4 6028 B10R0.18 CCCCC(C)N[C@H](C)CO 270004a_100000737577_100000210087 [0,1,0,0,0,1|1,0,1]=4 6029 B10R0.18 CCCCC(C)OC(C)CC 34a_100000687866_100011215416 [0,1,0,0,0,1|1,0,1]=4 6030 B10R0.18 CCCCC(C)OC(C)CC 7a_100000210228_200011215066 [0,1,0,0,0,1|1,0,1]=4 6031 B10R0.18 CCCCC(C)OC(C)CC 7a_100000687866_100000758301 [0,1,0,0,0,1|1,0,1]=4 6032 B10R0.18 CCCCC(C)OC(C)CF 34a_100016041109_200011215066 [0,1,0,0,0,1|1,0,1]=4 6033 B10R0.18 CCCCC(C)OC(C)CF 7a_100016041109_200011215066 [0,1,0,0,0,1|1,0,1]=4 6034 B10R0.18 CCCCC(C)OC(C)CN 34a_100000210904_200011215066 [0,1,0,0,0,1|1,0,1]=4 6035 B10R0.18 CCCCC(C)OC(C)CO 34a_100000687866_100012180447 [0,1,0,0,0,1|1,0,1]=4 6036 B10R0.18 CCCCC(C)OC(C)CO 7a_100000687866_100012180447 [0,1,0,0,0,1|1,0,1]=4 6037 B10R0.18 CCCCC(C)SC(C)CC 62a_100000758301_200011215066 [0,1,0,0,0,1|1,0,1]=4 6038 B10R0.18 CCCCC(C)SC(C)CC 62a_200011215066_100000758301 [0,1,0,0,0,1|1,0,1]=4 6039 B10R0.18 CCCCC(C)SC(C)CO 62a_100012180447_200011215066 [0,1,0,0,0,1|1,0,1]=4 6040 B10R0.18 CCCCC(C)SC(C)OC 62a_100009879195_200011215066 [0,1,0,0,0,1|1,0,1]=4 6041 B10R0.18 CCCCC(C)SC(C)OC 62a_200011215066_100009879195 [0,1,0,0,0,1|1,0,1]=4 6042 B10R0.18 CCCCC(C)S[C@H](C)CO 62a_100016084084_200011215066 [0,1,0,0,0,1|1,0,1]=4 6043 B10R0.18 CCCCC(C)S[C@H](C)CO 62a_200011215066_100016084084 [0,1,0,0,0,1|1,0,1]=4 6044 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000207549_100000748023 [0,1,0,0,0,1|2,0,0]=4 6045 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000753921_100000210211 [0,1,0,0,0,1|2,0,0]=4 6046 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000207549_100000748023 [0,1,0,0,0,1|2,0,0]=4 6047 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000753921_100000210211 [0,1,0,0,0,1|2,0,0]=4 6048 B10R0.18 CCCCN(C)CC(C)CC 270004a_100000207549_100000243153 [0,1,0,0,0,1|2,0,0]=4 6049 B10R0.18 CCCCN(C)C[C@@H](C)CC 2230a_100000207549_100009816398 [0,1,0,0,0,1|2,0,0]=4 6050 B10R0.18 CCCCN(C)C[C@@H](C)CC 269982a_100000207549_100009816398 [0,1,0,0,0,1|2,0,0]=4 6051 B10R0.18 CCCCN(C)C[C@@H](C)CO 2230a_100000207549_100000059175 [0,1,0,0,0,1|2,0,0]=4 6052 B10R0.18 CCCCN(C)C[C@@H](C)CO 269982a_100000207549_100000059175 [0,1,0,0,0,1|2,0,0]=4 6053 B10R0.18 CCCNC(=O)C=C(C)CC 11a_100020643023_100020758463 [0,1,0,0,0,1|1,0,1]=4 6054 B10R0.18 CCCNC(=O)C=C(C)CC 1626a_100020643023_100020758463 [0,1,0,0,0,1|1,0,1]=4 6055 B10R0.18 CCCNC(=O)C=C(C)CC 240690a_100020643023_100020758463 [0,1,0,0,0,1|1,0,1]=4 6056 B10R0.18 CCCNC(=O)CC(C)CC 11a_100020643023_100000708755 [0,1,0,0,0,1|1,0,0]=3 6057 B10R0.18 CCCNC(=O)CC(C)CC 1626a_100020643023_100000708755 [0,1,0,0,0,1|1,0,0]=3 6058 B10R0.18 CCCNC(=O)CC(C)CC 240690a_100020643023_100000708755 [0,1,0,0,0,1|1,0,0]=3 6059 B10R0.18 CCCNC(=O)CC(C)CC 527a_100020643023_100000708755 [0,1,0,0,0,1|1,0,0]=3 6060 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [0,1,0,0,0,1|2,0,0]=4 6061 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [0,1,0,0,0,1|2,0,0]=4 6062 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000225621_100000183358 [0,1,0,0,0,1|2,0,0]=4 6063 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000684209_100000210202 [0,1,0,0,0,1|2,0,0]=4 6064 B10R0.18 CCCNC(=O)CN(C)CC 240690a_100020643023_100116209913 [0,1,0,0,0,1|2,0,0]=4 6065 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000225621_100000183358 [0,1,0,0,0,1|2,0,0]=4 6066 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000684209_100000204670 [0,1,0,0,0,1|2,0,0]=4 6067 B10R0.18 CCCNC(=O)CN(C)CC 527a_100020643023_100116209913 [0,1,0,0,0,1|2,0,0]=4 6068 B10R0.18 CCCNC(=O)CN(C)CF 269982a_100000684209_100015361967 [0,1,0,0,0,1|2,0,0]=4 6069 B10R0.18 CCCNC(=O)NC(C)C#N 2708a_100000737613_100020643023 [0,1,0,0,0,1|1,0,1]=4 6070 B10R0.18 CCCNC(=O)NC(C)C#N 2708a_100020643023_100000737613 [0,1,0,0,0,1|1,0,1]=4 6071 B10R0.18 CCCNC(=O)NC(C)C#N 273464a_100000737613_100020643023 [0,1,0,0,0,1|1,0,1]=4 6072 B10R0.18 CCCNC(=O)NC(C)C#N 273464a_100020643023_100000737613 [0,1,0,0,0,1|1,0,1]=4 6073 B10R0.18 CCCNC(=O)NC(C)C#N 512a_100000737613_100020643023 [0,1,0,0,0,1|1,0,1]=4 6074 B10R0.18 CCCNC(=O)NC(C)C#N 512a_100020643023_100000737613 [0,1,0,0,0,1|1,0,1]=4 6075 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100000209981_100020643023 [0,1,0,0,0,1|1,0,0]=3 6076 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100020643023_100000209981 [0,1,0,0,0,1|1,0,0]=3 6077 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100000209981_100020643023 [0,1,0,0,0,1|1,0,0]=3 6078 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100020643023_100000209981 [0,1,0,0,0,1|1,0,0]=3 6079 B10R0.18 CCCNC(=O)NC(C)CC 512a_100000209981_100020643023 [0,1,0,0,0,1|1,0,0]=3 6080 B10R0.18 CCCNC(=O)NC(C)CC 512a_100020643023_100000209981 [0,1,0,0,0,1|1,0,0]=3 6081 B10R0.18 CCCNC(=O)N[C@H](C)CF 2708a_100020643023_100102880703 [0,1,0,0,0,1|1,0,0]=3 6082 B10R0.18 CCCNC(=O)N[C@H](C)CF 273464a_100020643023_100102880703 [0,1,0,0,0,1|1,0,0]=3 6083 B10R0.18 CCCNC(=O)N[C@H](C)CF 273464a_100102880703_100020643023 [0,1,0,0,0,1|1,0,0]=3 6084 B10R0.18 CCCNC(=O)N[C@H](C)CF 512a_100020643023_100102880703 [0,1,0,0,0,1|1,0,0]=3 6085 B10R0.18 CCCNC(=O)N[C@H](C)CF 512a_100102880703_100020643023 [0,1,0,0,0,1|1,0,0]=3 6086 B10R0.18 CCCNC(=O)N[C@H](C)CO 2708a_100020643023_100000737577 [0,1,0,0,0,1|1,0,0]=3 6087 B10R0.18 CCCNC(=O)N[C@H](C)CO 273464a_100000737577_100020643023 [0,1,0,0,0,1|1,0,0]=3 6088 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100000737577_100020643023 [0,1,0,0,0,1|1,0,0]=3 6089 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100020643023_100000737577 [0,1,0,0,0,1|1,0,0]=3 6090 B10R0.18 CCCOC(=O)CN(C)CC 2230a_100000225621_200011215008 [0,1,0,0,0,1|2,0,0]=4 6091 B10R0.18 CCCOC(=O)CN(C)CC 269982a_100000225621_200011215008 [0,1,0,0,0,1|2,0,0]=4 6092 B10R0.18 CCN(C)CC(=O)CCCF 1458a_100116209913_100011934791 [0,1,0,0,0,1|2,0,0]=4 6093 B10R0.18 CCN(C)CC(=O)CCCO 1458a_100116209913_100011215043 [0,1,0,0,0,1|2,0,0]=4 6094 B10R0.18 CCN(C)CC(=O)CCOC 1458a_100116209913_100000233755 [0,1,0,0,0,1|2,0,0]=4 6095 B10R0.18 CCN(C)CC(=O)CCSC 1458a_100116209913_100000751147 [0,1,0,0,0,1|2,0,0]=4 6096 B10R0.18 CCNCC(=O)NC(C)CC 2230a_100015525214_100000182745 [0,1,0,0,0,1|1,0,0]=3 6097 B10R0.18 CCNNC(=O)CC(C)CC 22a_100000756455_100000708755 [0,1,0,0,0,1|2,0,0]=4 6098 B10R0.18 CCNNC(=O)NC(C)CC 273464a_100000209981_100000756455 [0,1,0,0,0,1|2,0,0]=4 6099 B10R0.18 CCNNC(=O)NC(C)CC 512a_100000209981_100000756455 [0,1,0,0,0,1|2,0,0]=4 6100 B10R0.18 CCNNC(=O)NC(C)CC 512a_100000756455_100000209981 [0,1,0,0,0,1|2,0,0]=4 6101 B10R0.18 CCNNC(=O)N[C@H](C)CF 273464a_100102880703_100000756455 [0,1,0,0,0,1|2,0,0]=4 6102 B10R0.18 CCNNC(=O)N[C@H](C)CF 512a_100000756455_100102880703 [0,1,0,0,0,1|2,0,0]=4 6103 B10R0.18 CCNNC(=O)N[C@H](C)CF 512a_100102880703_100000756455 [0,1,0,0,0,1|2,0,0]=4 6104 B10R0.18 CCNNC(=O)N[C@H](C)CO 273464a_100000737577_100000756455 [0,1,0,0,0,1|2,0,0]=4 6105 B10R0.18 CCNNC(=O)N[C@H](C)CO 512a_100000737577_100000756455 [0,1,0,0,0,1|2,0,0]=4 6106 B10R0.18 CCNNC(=O)N[C@H](C)CO 512a_100000756455_100000737577 [0,1,0,0,0,1|2,0,0]=4 6107 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [0,1,0,0,0,1|1,0,0]=3 6108 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [0,1,0,0,0,1|2,0,0]=4 6109 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [0,1,0,0,0,1|1,0,0]=3 6110 B10R0.18 CCOCC(=O)C[C@@H](C)CO 1458a_100000211967_100000059175 [0,1,0,0,0,1|1,0,0]=3 6111 B10R0.18 CCOCC(=O)NC(C)C#N 11a_100000737613_100000211967 [0,1,0,0,0,1|1,0,1]=4 6112 B10R0.18 CCOCC(=O)NC(C)C#N 1626a_100000737613_100000211967 [0,1,0,0,0,1|1,0,1]=4 6113 B10R0.18 CCOCC(=O)NC(C)C#N 527a_100000737613_100000211967 [0,1,0,0,0,1|1,0,1]=4 6114 B10R0.18 CCOCC(=O)NC(C)CC 11a_100000209981_100000211967 [0,1,0,0,0,1|1,0,0]=3 6115 B10R0.18 CCOCC(=O)NC(C)CC 1626a_100000209981_100000211967 [0,1,0,0,0,1|1,0,0]=3 6116 B10R0.18 CCOCC(=O)NC(C)CC 240690a_100000209981_100000211967 [0,1,0,0,0,1|1,0,0]=3 6117 B10R0.18 CCOCC(=O)NC(C)CC 34a_100121572206_100000182745 [0,1,0,0,0,1|1,0,0]=3 6118 B10R0.18 CCOCC(=O)NC(C)CC 527a_100000209981_100000211967 [0,1,0,0,0,1|1,0,0]=3 6119 B10R0.18 CCOCC(=O)N[C@H](C)CF 11a_100102880703_100000211967 [0,1,0,0,0,1|1,0,0]=3 6120 B10R0.18 CCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000211967 [0,1,0,0,0,1|1,0,0]=3 6121 B10R0.18 CCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000211967 [0,1,0,0,0,1|1,0,0]=3 6122 B10R0.18 CCOCC(=O)N[C@H](C)CF 527a_100102880703_100000211967 [0,1,0,0,0,1|1,0,0]=3 6123 B10R0.18 CCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000211967 [0,1,0,0,0,1|1,0,0]=3 6124 B10R0.18 CCOCC(=O)N[C@H](C)CO 527a_100000737577_100000211967 [0,1,0,0,0,1|1,0,0]=3 6125 B10R0.18 CCSCC(=O)CC(C)CC 1458a_100000230394_100000748023 [0,1,0,0,0,1|1,0,0]=3 6126 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [0,1,0,0,0,1|2,0,0]=4 6127 B10R0.18 CCSCC(=O)C[C@@H](C)CC 1458a_100000230394_100009816398 [0,1,0,0,0,1|1,0,0]=3 6128 B10R0.18 CCSCC(=O)C[C@@H](C)CO 1458a_100000230394_100000059175 [0,1,0,0,0,1|1,0,0]=3 6129 B10R0.18 CCSCC(=O)NC(C)C#N 11a_100000737613_100000230394 [0,1,0,0,0,1|1,0,1]=4 6130 B10R0.18 CCSCC(=O)NC(C)C#N 1626a_100000737613_100000230394 [0,1,0,0,0,1|1,0,1]=4 6131 B10R0.18 CCSCC(=O)NC(C)C#N 527a_100000737613_100000230394 [0,1,0,0,0,1|1,0,1]=4 6132 B10R0.18 CCSCC(=O)NC(C)CC 11a_100000209981_100000230394 [0,1,0,0,0,1|1,0,0]=3 6133 B10R0.18 CCSCC(=O)NC(C)CC 1626a_100000209981_100000230394 [0,1,0,0,0,1|1,0,0]=3 6134 B10R0.18 CCSCC(=O)NC(C)CC 240690a_100000209981_100000230394 [0,1,0,0,0,1|1,0,0]=3 6135 B10R0.18 CCSCC(=O)NC(C)CC 527a_100000209981_100000230394 [0,1,0,0,0,1|1,0,0]=3 6136 B10R0.18 CCSCC(=O)NC(C)CC 62a_100000182745_100000210202 [0,1,0,0,0,1|1,0,0]=3 6137 B10R0.18 CCSCC(=O)NC(C)CC 62a_100000210202_100000182745 [0,1,0,0,0,1|1,0,0]=3 6138 B10R0.18 CCSCC(=O)N[C@H](C)CF 11a_100102880703_100000230394 [0,1,0,0,0,1|1,0,0]=3 6139 B10R0.18 CCSCC(=O)N[C@H](C)CF 1626a_100102880703_100000230394 [0,1,0,0,0,1|1,0,0]=3 6140 B10R0.18 CCSCC(=O)N[C@H](C)CF 240690a_100102880703_100000230394 [0,1,0,0,0,1|1,0,0]=3 6141 B10R0.18 CCSCC(=O)N[C@H](C)CF 527a_100102880703_100000230394 [0,1,0,0,0,1|1,0,0]=3 6142 B10R0.18 CCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000230394 [0,1,0,0,0,1|1,0,0]=3 6143 B10R0.18 CCSCC(=O)N[C@H](C)CO 527a_100000737577_100000230394 [0,1,0,0,0,1|1,0,0]=3 6144 B10R0.18 CC[C@H](C)CC(=O)CCC#N 1458a_100011934036_100009816398 [0,1,0,0,0,1|1,0,1]=4 6145 B10R0.18 CC[C@H](C)CC(=O)CCOC 1458a_100000749529_100009816398 [0,1,0,0,0,1|1,0,0]=3 6146 B10R0.18 CC[C@H](C)CC(=O)CCSC 1458a_100000174002_100009816398 [0,1,0,0,0,1|1,0,0]=3 6147 B10R0.18 COCCC(=O)C[C@@H](C)CO 1458a_100000749529_100000059175 [0,1,0,0,0,1|1,0,0]=3 6148 B10R0.18 COCCC(=O)NC(C)C#N 11a_100000737613_100000749529 [0,1,0,0,0,1|1,0,1]=4 6149 B10R0.18 COCCC(=O)NC(C)C#N 1626a_100000737613_100000749529 [0,1,0,0,0,1|1,0,1]=4 6150 B10R0.18 COCCC(=O)NC(C)C#N 527a_100000737613_100000749529 [0,1,0,0,0,1|1,0,1]=4 6151 B10R0.18 COCCC(=O)N[C@H](C)CF 11a_100102880703_100000749529 [0,1,0,0,0,1|1,0,0]=3 6152 B10R0.18 COCCC(=O)N[C@H](C)CF 1626a_100102880703_100000749529 [0,1,0,0,0,1|1,0,0]=3 6153 B10R0.18 COCCC(=O)N[C@H](C)CF 240690a_100102880703_100000749529 [0,1,0,0,0,1|1,0,0]=3 6154 B10R0.18 COCCC(=O)N[C@H](C)CF 527a_100102880703_100000749529 [0,1,0,0,0,1|1,0,0]=3 6155 B10R0.18 COCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749529 [0,1,0,0,0,1|1,0,0]=3 6156 B10R0.18 COCCC(=O)N[C@H](C)CO 527a_100000737577_100000749529 [0,1,0,0,0,1|1,0,0]=3 6157 B10R0.18 CSCCC(=O)C[C@@H](C)CO 1458a_100000174002_100000059175 [0,1,0,0,0,1|1,0,0]=3 6158 B10R0.18 CSCCC(=O)NC(C)C#N 11a_100000737613_100000174002 [0,1,0,0,0,1|1,0,1]=4 6159 B10R0.18 CSCCC(=O)NC(C)C#N 1626a_100000737613_100000174002 [0,1,0,0,0,1|1,0,1]=4 6160 B10R0.18 CSCCC(=O)NC(C)C#N 527a_100000737613_100000174002 [0,1,0,0,0,1|1,0,1]=4 6161 B10R0.18 CSCCC(=O)N[C@H](C)CF 11a_100102880703_100000174002 [0,1,0,0,0,1|1,0,0]=3 6162 B10R0.18 CSCCC(=O)N[C@H](C)CF 1626a_100102880703_100000174002 [0,1,0,0,0,1|1,0,0]=3 6163 B10R0.18 CSCCC(=O)N[C@H](C)CF 240690a_100102880703_100000174002 [0,1,0,0,0,1|1,0,0]=3 6164 B10R0.18 CSCCC(=O)N[C@H](C)CF 527a_100102880703_100000174002 [0,1,0,0,0,1|1,0,0]=3 6165 B10R0.18 CSCCC(=O)N[C@H](C)CO 240690a_100000737577_100000174002 [0,1,0,0,0,1|1,0,0]=3 6166 B10R0.18 CSCCC(=O)N[C@H](C)CO 527a_100000737577_100000174002 [0,1,0,0,0,1|1,0,0]=3 6167 B10R0.18 C[C@@H](CO)CC(=O)CCC#N 1458a_100011934036_100000059175 [0,1,0,0,0,1|1,0,1]=4 6168 B10R0.18 C[C@H](CF)NC(=O)CCC#N 11a_100102880703_100011934036 [0,1,0,0,0,1|1,0,1]=4 6169 B10R0.18 C[C@H](CF)NC(=O)CCC#N 1626a_100102880703_100011934036 [0,1,0,0,0,1|1,0,1]=4 6170 B10R0.18 C[C@H](CF)NC(=O)CCC#N 240690a_100102880703_100011934036 [0,1,0,0,0,1|1,0,1]=4 6171 B10R0.18 C[C@H](CF)NC(=O)CCC#N 527a_100102880703_100011934036 [0,1,0,0,0,1|1,0,1]=4 6172 B10R0.18 C[C@H](CF)NC(=O)NCCF 273464a_100000724931_100102880703 [0,1,0,0,0,1|2,0,0]=4 6173 B10R0.18 C[C@H](CF)NC(=O)NCCF 273464a_100102880703_100000724931 [0,1,0,0,0,1|2,0,0]=4 6174 B10R0.18 C[C@H](CF)NC(=O)NCCF 512a_100102880703_100000724931 [0,1,0,0,0,1|2,0,0]=4 6175 B10R0.18 C[C@H](CF)NC(=O)NCCO 273464a_100000210304_100102880703 [0,1,0,0,0,1|2,0,0]=4 6176 B10R0.18 C[C@H](CF)NC(=O)NCCO 273464a_100102880703_100000210304 [0,1,0,0,0,1|2,0,0]=4 6177 B10R0.18 C[C@H](CF)NC(=O)NCCO 512a_100102880703_100000210304 [0,1,0,0,0,1|2,0,0]=4 6178 B10R0.18 C[C@H](CO)NC(=O)CCC#N 240690a_100000737577_100011934036 [0,1,0,0,0,1|1,0,1]=4 6179 B10R0.18 C[C@H](CO)NC(=O)CCC#N 527a_100000737577_100011934036 [0,1,0,0,0,1|1,0,1]=4 6180 B10R0.18 C[C@H](CO)NC(=O)NCCF 273464a_100000737577_100000724931 [0,1,0,0,0,1|2,0,0]=4 6181 B10R0.18 C[C@H](CO)NC(=O)NCCF 512a_100000737577_100000724931 [0,1,0,0,0,1|2,0,0]=4 6182 B10R0.18 C[C@H](CO)NC(=O)NCCO 273464a_100000737577_100000210304 [0,1,0,0,0,1|2,0,0]=4 6183 B10R0.18 C[C@H](CO)NC(=O)NCCO 512a_100000737577_100000210304 [0,1,0,0,0,1|2,0,0]=4 6184 B10R0.28 C#CCCC(=O)CC(C)(C)C 1458a_100000211214_100000753159 [0,1,0,0,0,1|0,0,2]=4 6185 B10R0.28 C#CCCC(=O)CC(C)(C)O 1458a_100000693243_100000753159 [0,1,0,0,0,1|0,0,2]=4 6186 B10R0.28 C#CCCC(=O)NC(C)(C)C 11a_100000715429_100000692101 [0,1,0,0,0,1|0,0,2]=4 6187 B10R0.28 C#CCCC(=O)NC(C)(C)C 1626a_100000715429_100000692101 [0,1,0,0,0,1|0,0,2]=4 6188 B10R0.28 C#CCCC(=O)NC(C)(C)C 240690a_100000715429_100000692101 [0,1,0,0,0,1|0,0,2]=4 6189 B10R0.28 C#CCCC(=O)NC(C)(C)C 527a_100000715429_100000692101 [0,1,0,0,0,1|0,0,2]=4 6190 B10R0.28 C/C=C/CC(=O)CC(C)(C)C 1458a_100000211214_100102629194 [0,1,0,0,0,1|0,0,2]=4 6191 B10R0.28 C/C=C/CC(=O)CC(C)(C)O 1458a_100000693243_100102629194 [0,1,0,0,0,1|0,0,2]=4 6192 B10R0.28 C=CCCC(=O)CC(C)(C)C 1458a_100000211214_100000754431 [0,1,0,0,0,1|0,0,2]=4 6193 B10R0.28 C=CCCC(=O)CC(C)(C)O 1458a_100000693243_100000754431 [0,1,0,0,0,1|0,0,2]=4 6194 B10R0.28 C=CCCC(=O)NC(C)(C)C 11a_100000715429_100000749702 [0,1,0,0,0,1|0,0,2]=4 6195 B10R0.28 C=CCCC(=O)NC(C)(C)C 1626a_100000715429_100000749702 [0,1,0,0,0,1|0,0,2]=4 6196 B10R0.28 C=CCCC(=O)NC(C)(C)C 240690a_100000715429_100000749702 [0,1,0,0,0,1|0,0,2]=4 6197 B10R0.28 C=CCCC(=O)NC(C)(C)C 527a_100000715429_100000749702 [0,1,0,0,0,1|0,0,2]=4 6198 B10R0.28 CC#CCC(=O)CC(C)(C)C 1458a_100000211214_100000748600 [0,1,0,0,0,1|0,0,2]=4 6199 B10R0.28 CC#CCC(=O)CC(C)(C)O 1458a_100000693243_100000748600 [0,1,0,0,0,1|0,0,2]=4 6200 B10R0.28 CC(C)(C)CC(=O)CCC#N 1458a_100000211214_100011215226 [0,1,0,0,0,1|1,0,1]=4 6201 B10R0.28 CC(C)(C)CC(=O)CCCF 1458a_100000211214_100011934791 [0,1,0,0,0,1|1,0,0]=3 6202 B10R0.28 CC(C)(C)CC(=O)CCCO 1458a_100000211214_100011215043 [0,1,0,0,0,1|1,0,0]=3 6203 B10R0.28 CC(C)(C)CC(=O)NCCF 11a_100000724931_100000211214 [0,1,0,0,0,1|2,0,0]=4 6204 B10R0.28 CC(C)(C)CC(=O)NCCF 1626a_100000724931_100000211214 [0,1,0,0,0,1|2,0,0]=4 6205 B10R0.28 CC(C)(C)CC(=O)NCCF 240690a_100000724931_100000211214 [0,1,0,0,0,1|2,0,0]=4 6206 B10R0.28 CC(C)(C)CC(=O)NCCF 527a_100000724931_100000211214 [0,1,0,0,0,1|2,0,0]=4 6207 B10R0.28 CC(C)(C)CC(=O)NCCO 240690a_100000210304_100000211214 [0,1,0,0,0,1|2,0,0]=4 6208 B10R0.28 CC(C)(C)CC(=O)NCCO 527a_100000210304_100000211214 [0,1,0,0,0,1|2,0,0]=4 6209 B10R0.28 CC(C)(C)CC(=O)OCS[13CH3] 62a_200010999194_200025704644 [0,1,0,0,0,1|2,0,0]=4 6210 B10R0.28 CC(C)(C)CC(=O)OCS[13CH3] 62a_200025704644_200010999194 [0,1,0,0,0,1|2,0,0]=4 6211 B10R0.28 CC(C)(C)NC(=O)CCC#N 11a_100000715429_100011934036 [0,1,0,0,0,1|1,0,1]=4 6212 B10R0.28 CC(C)(C)NC(=O)CCC#N 1626a_100000715429_100011934036 [0,1,0,0,0,1|1,0,1]=4 6213 B10R0.28 CC(C)(C)NC(=O)CCC#N 240690a_100000715429_100011934036 [0,1,0,0,0,1|1,0,1]=4 6214 B10R0.28 CC(C)(C)NC(=O)CCC#N 527a_100000715429_100011934036 [0,1,0,0,0,1|1,0,1]=4 6215 B10R0.28 CC(C)(C)NC(=O)CCS[13CH3] 62a_100011194433_200025704644 [0,1,0,0,0,1|1,0,0]=3 6216 B10R0.28 CC(C)(C)NC(=O)CCS[13CH3] 62a_200025704644_100011194433 [0,1,0,0,0,1|1,0,0]=3 6217 B10R0.28 CC(C)(C)NC(=O)CNCF 34a_100000174917_100015361967 [0,1,0,0,0,1|2,0,0]=4 6218 B10R0.28 CC(C)(C)NC(=O)CSCF 62a_100000182746_100015361967 [0,1,0,0,0,1|2,0,0]=4 6219 B10R0.28 CC(C)(C)NC(=O)CSCF 62a_100015361967_100000182746 [0,1,0,0,0,1|2,0,0]=4 6220 B10R0.28 CC(C)(C)NC(=O)NCCF 273464a_100000715429_100000724931 [0,1,0,0,0,1|2,0,0]=4 6221 B10R0.28 CC(C)(C)NC(=O)NCCF 273464a_100000724931_100000715429 [0,1,0,0,0,1|2,0,0]=4 6222 B10R0.28 CC(C)(C)NC(=O)NCCF 512a_100000715429_100000724931 [0,1,0,0,0,1|2,0,0]=4 6223 B10R0.28 CC(C)(C)NC(=O)NCCO 273464a_100000210304_100000715429 [0,1,0,0,0,1|2,0,0]=4 6224 B10R0.28 CC(C)(C)NC(=O)NCCO 273464a_100000715429_100000210304 [0,1,0,0,0,1|2,0,0]=4 6225 B10R0.28 CC(C)(C)NC(=O)NCCO 512a_100000715429_100000210304 [0,1,0,0,0,1|2,0,0]=4 6226 B10R0.28 CC(C)(C)OC(=O)CCO[13CH3] 34a_100011934494_200025704644 [0,1,0,0,0,1|1,0,0]=3 6227 B10R0.28 CC(C)(C)OC(=O)CCO[13CH3] 7a_100011934494_200025704644 [0,1,0,0,0,1|1,0,0]=3 6228 B10R0.28 CC(C)(C)OC(=O)CCS[13CH3] 62a_100009816755_200025704644 [0,1,0,0,0,1|1,0,0]=3 6229 B10R0.28 CC(C)(C)OC(=O)CCS[13CH3] 62a_200025704644_100009816755 [0,1,0,0,0,1|1,0,0]=3 6230 B10R0.28 CC(C)(C)OC(=O)COCF 34a_100000752683_100015361967 [0,1,0,0,0,1|2,0,0]=4 6231 B10R0.28 CC(C)(C)OC(=O)CSCF 62a_100000183872_100015361967 [0,1,0,0,0,1|2,0,0]=4 6232 B10R0.28 CC(C)(C)OC(=O)CSCF 62a_100015361967_100000183872 [0,1,0,0,0,1|2,0,0]=4 6233 B10R0.28 CC(C)(O)CC(=O)CCC#N 1458a_100000693243_100011215226 [0,1,0,0,0,1|1,0,1]=4 6234 B10R0.28 CC(C)(O)CC(=O)CCCF 1458a_100000693243_100011934791 [0,1,0,0,0,1|1,0,0]=3 6235 B10R0.28 CC(C)(O)CC(=O)CCCO 1458a_100000693243_100011215043 [0,1,0,0,0,1|1,0,0]=3 6236 B10R0.28 CC(C)(O)CC(=O)NCCF 527a_100000724931_100000693243 [0,1,0,0,0,1|2,0,0]=4 6237 B10R0.28 CC(C)(O)CC(=O)NCCO 527a_100000210304_100000693243 [0,1,0,0,0,1|2,0,0]=4 6238 B10R0.28 CC=CCC(=O)CC(C)(C)C 1458a_100000211214_100000070051 [0,1,0,0,0,1|0,0,2]=4 6239 B10R0.28 CC=CCC(=O)CC(C)(C)O 1458a_100000693243_100000070051 [0,1,0,0,0,1|0,0,2]=4 6240 B10R0.28 CC=CCC(=O)NC(C)(C)C 11a_100000715429_100121576822 [0,1,0,0,0,1|0,0,2]=4 6241 B10R0.28 CC=CCC(=O)NC(C)(C)C 1626a_100000715429_100121576822 [0,1,0,0,0,1|0,0,2]=4 6242 B10R0.28 CC=CCC(=O)NC(C)(C)C 240690a_100000715429_100121576822 [0,1,0,0,0,1|0,0,2]=4 6243 B10R0.28 CC=CCC(=O)NC(C)(C)C 527a_100000715429_100121576822 [0,1,0,0,0,1|0,0,2]=4 6244 B10R0.28 CCC=CC(=O)NC(C)(C)C 11a_100000715429_100000212282 [0,1,0,0,0,1|0,0,2]=4 6245 B10R0.28 CCC=CC(=O)NC(C)(C)C 1626a_100000715429_100000212282 [0,1,0,0,0,1|0,0,2]=4 6246 B10R0.28 CCC=CC(=O)NC(C)(C)C 240690a_100000715429_100000212282 [0,1,0,0,0,1|0,0,2]=4 6247 B10R0.28 CCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210211 [0,1,0,0,0,1|0,0,0]=2 6248 B10R0.28 CCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210211 [0,1,0,0,0,1|0,0,0]=2 6249 B10R0.28 CCCCC(=O)CC(F)(F)F 1458a_100000245130_100000210211 [0,1,0,0,0,1|2,0,0]=4 6250 B10R0.28 CCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210211 [0,1,0,0,0,1|2,0,0]=4 6251 B10R0.28 CCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210211 [0,1,0,0,0,1|1,0,0]=3 6252 B10R0.28 CCCCC(=O)C[Si](C)(C)C 1458a_100000210183_100000233785 [0,1,0,0,0,1|0,1,0]=3 6253 B10R0.28 CCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210211 [0,1,0,0,0,1|0,1,0]=3 6254 B10R0.28 CCCCC(=O)NC(C)(C)C 11a_100000715429_100000210183 [0,1,0,0,0,1|0,0,0]=2 6255 B10R0.28 CCCCC(=O)NC(C)(C)C 1626a_100000715429_100000210183 [0,1,0,0,0,1|0,0,0]=2 6256 B10R0.28 CCCCC(=O)NC(C)(C)C 240690a_100000715429_100000210183 [0,1,0,0,0,1|0,0,0]=2 6257 B10R0.28 CCCCC(=O)NC(C)(C)C 527a_100000715429_100000210183 [0,1,0,0,0,1|0,0,0]=2 6258 B10R0.28 CCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000210183 [0,1,0,0,0,1|2,0,0]=4 6259 B10R0.28 CCCCC(C)NC(C)(C)C 2230a_100000715429_200011215066 [0,1,0,0,0,1|1,0,1]=4 6260 B10R0.28 CCCCC(C)OC(C)(C)C 34a_100000687866_100000210625 [0,1,0,0,0,1|1,0,1]=4 6261 B10R0.28 CCCCC(C)OC(C)(C)C 34a_100015890283_200011215066 [0,1,0,0,0,1|1,0,1]=4 6262 B10R0.28 CCCCC(C)OC(C)(C)C 7a_100015890283_200011215066 [0,1,0,0,0,1|1,0,1]=4 6263 B10R0.28 CCCCC(C)SC(C)(C)C 62a_100000211941_200011215066 [0,1,0,0,0,1|1,0,1]=4 6264 B10R0.28 CCCCC(C)SC(C)(C)C 62a_200011215066_100000211941 [0,1,0,0,0,1|1,0,1]=4 6265 B10R0.28 CCCCN(C)CC(C)(C)C 2230a_100000742839_100000210211 [0,1,0,0,0,1|2,0,0]=4 6266 B10R0.28 CCCCN(C)CC(C)(C)C 269982a_100000742839_100000210211 [0,1,0,0,0,1|2,0,0]=4 6267 B10R0.28 CCCCN(C)CC(C)(C)C 270004a_100000207549_100011204126 [0,1,0,0,0,1|2,0,0]=4 6268 B10R0.28 CCCCN(C)CC(C)(C)O 2230a_100000755907_100000210211 [0,1,0,0,0,1|2,0,0]=4 6269 B10R0.28 CCCCN(C)CC(C)(C)O 269982a_100000755907_100000210211 [0,1,0,0,0,1|2,0,0]=4 6270 B10R0.28 CCCNC(=O)CC(C)(C)C 11a_100020643023_100000211214 [0,1,0,0,0,1|1,0,0]=3 6271 B10R0.28 CCCNC(=O)CC(C)(C)C 1626a_100020643023_100000211214 [0,1,0,0,0,1|1,0,0]=3 6272 B10R0.28 CCCNC(=O)CC(C)(C)C 240690a_100020643023_100000211214 [0,1,0,0,0,1|1,0,0]=3 6273 B10R0.28 CCCNC(=O)CC(C)(C)C 527a_100020643023_100000211214 [0,1,0,0,0,1|1,0,0]=3 6274 B10R0.28 CCCNC(=O)CC(C)(C)O 527a_100020643023_100000693243 [0,1,0,0,0,1|1,0,0]=3 6275 B10R0.28 CCCNC(=O)C[N+](C)(C)C 11a_100020643023_100000033712 [0,1,0,0,0,1|2,0,0]=4 6276 B10R0.28 CCCNC(=O)C[N+](C)(C)C 1626a_100020643023_100000033712 [0,1,0,0,0,1|2,0,0]=4 6277 B10R0.28 CCCNC(=O)C[N+](C)(C)C 240690a_100020643023_100000033712 [0,1,0,0,0,1|2,0,0]=4 6278 B10R0.28 CCCNC(=O)C[N+](C)(C)C 527a_100020643023_100000033712 [0,1,0,0,0,1|2,0,0]=4 6279 B10R0.28 CCCNC(=O)C[Si](C)(C)C 11a_100020643023_100011218504 [0,1,0,0,0,1|1,1,0]=4 6280 B10R0.28 CCCNC(=O)C[Si](C)(C)C 1626a_100020643023_100011218504 [0,1,0,0,0,1|1,1,0]=4 6281 B10R0.28 CCCNC(=O)NC(C)(C)C 2708a_100020643023_100000715429 [0,1,0,0,0,1|1,0,0]=3 6282 B10R0.28 CCCNC(=O)NC(C)(C)C 273464a_100000715429_100020643023 [0,1,0,0,0,1|1,0,0]=3 6283 B10R0.28 CCCNC(=O)NC(C)(C)C 273464a_100020643023_100000715429 [0,1,0,0,0,1|1,0,0]=3 6284 B10R0.28 CCCNC(=O)NC(C)(C)C 512a_100000715429_100020643023 [0,1,0,0,0,1|1,0,0]=3 6285 B10R0.28 CCNCC(=O)NC(C)(C)C 2230a_100000174917_100000210202 [0,1,0,0,0,1|1,0,0]=3 6286 B10R0.28 CCNCC(=O)NC(C)(C)C 2230a_100015525214_100000182746 [0,1,0,0,0,1|1,0,0]=3 6287 B10R0.28 CCNCC(=O)NC(C)(C)C 34a_100000174917_100000210202 [0,1,0,0,0,1|1,0,0]=3 6288 B10R0.28 CCNCC(=O)OC(C)(C)C 2230a_100015525214_100000183872 [0,1,0,0,0,1|1,0,0]=3 6289 B10R0.28 CCNCC(=O)O[Si](C)(C)C 2230a_100015525214_200009813336 [0,1,0,0,0,1|1,1,0]=4 6290 B10R0.28 CCNNC(=O)CC(C)(C)C 22a_100000756455_100000211214 [0,1,0,0,0,1|2,0,0]=4 6291 B10R0.28 CCNNC(=O)CC(C)(C)O 22a_100000756455_100000693243 [0,1,0,0,0,1|2,0,0]=4 6292 B10R0.28 CCNNC(=O)NC(C)(C)C 273464a_100000715429_100000756455 [0,1,0,0,0,1|2,0,0]=4 6293 B10R0.28 CCNNC(=O)NC(C)(C)C 512a_100000715429_100000756455 [0,1,0,0,0,1|2,0,0]=4 6294 B10R0.28 CCOCC(=O)C[Si](C)(C)C 1458a_100000211967_100000233785 [0,1,0,0,0,1|1,1,0]=4 6295 B10R0.28 CCOCC(=O)NC(C)(C)C 11a_100000715429_100000211967 [0,1,0,0,0,1|1,0,0]=3 6296 B10R0.28 CCOCC(=O)NC(C)(C)C 1626a_100000715429_100000211967 [0,1,0,0,0,1|1,0,0]=3 6297 B10R0.28 CCOCC(=O)NC(C)(C)C 240690a_100000715429_100000211967 [0,1,0,0,0,1|1,0,0]=3 6298 B10R0.28 CCOCC(=O)NC(C)(C)C 34a_100121572206_100000182746 [0,1,0,0,0,1|1,0,0]=3 6299 B10R0.28 CCOCC(=O)NC(C)(C)C 527a_100000715429_100000211967 [0,1,0,0,0,1|1,0,0]=3 6300 B10R0.28 CCOCC(=O)OC(C)(C)C 34a_100000752683_100000210202 [0,1,0,0,0,1|1,0,0]=3 6301 B10R0.28 CCOCC(=O)OC(C)(C)C 34a_100121572206_100000183872 [0,1,0,0,0,1|1,0,0]=3 6302 B10R0.28 CCOCC(=O)O[Si](C)(C)C 34a_100121572206_200009813336 [0,1,0,0,0,1|1,1,0]=4 6303 B10R0.28 CCSCC(=O)C[Si](C)(C)C 1458a_100000230394_100000233785 [0,1,0,0,0,1|1,1,0]=4 6304 B10R0.28 CCSCC(=O)NC(C)(C)C 11a_100000715429_100000230394 [0,1,0,0,0,1|1,0,0]=3 6305 B10R0.28 CCSCC(=O)NC(C)(C)C 1626a_100000715429_100000230394 [0,1,0,0,0,1|1,0,0]=3 6306 B10R0.28 CCSCC(=O)NC(C)(C)C 240690a_100000715429_100000230394 [0,1,0,0,0,1|1,0,0]=3 6307 B10R0.28 CCSCC(=O)NC(C)(C)C 527a_100000715429_100000230394 [0,1,0,0,0,1|1,0,0]=3 6308 B10R0.28 CCSCC(=O)NC(C)(C)C 62a_100000182746_100000210202 [0,1,0,0,0,1|1,0,0]=3 6309 B10R0.28 CCSCC(=O)NC(C)(C)C 62a_100000210202_100000182746 [0,1,0,0,0,1|1,0,0]=3 6310 B10R0.28 CCSCC(=O)OC(C)(C)C 62a_100000183872_100000210202 [0,1,0,0,0,1|1,0,0]=3 6311 B10R0.28 CCSCC(=O)OC(C)(C)C 62a_100000210202_100000183872 [0,1,0,0,0,1|1,0,0]=3 6312 B10R0.28 CCSCC(=O)O[Si](C)(C)C 62a_100000210202_200009813336 [0,1,0,0,0,1|1,1,0]=4 6313 B10R0.28 CCSCC(=O)O[Si](C)(C)C 62a_200009813336_100000210202 [0,1,0,0,0,1|1,1,0]=4 6314 B10R0.28 CNCCC(=O)NC(C)(C)C 2230a_106832991635_100011194433 [0,1,0,0,0,1|1,0,0]=3 6315 B10R0.28 CNCCC(=O)NC(C)(C)C 7a_106832991635_100011194433 [0,1,0,0,0,1|1,0,0]=3 6316 B10R0.28 CNCCC(=O)OC(C)(C)C 2230a_106832991635_100009816755 [0,1,0,0,0,1|1,0,0]=3 6317 B10R0.28 CNCCC(=O)OC(C)(C)C 34a_100102657272_100009816755 [0,1,0,0,0,1|1,0,0]=3 6318 B10R0.28 CNCCC(=O)OC(C)(C)C 7a_106832991635_100009816755 [0,1,0,0,0,1|1,0,0]=3 6319 B10R0.28 CNCOC(=O)CC(C)(C)C 2230a_106832991635_200010999194 [0,1,0,0,0,1|2,0,0]=4 6320 B10R0.28 CNCOC(=O)CC(C)(C)C 34a_100102657272_200010999194 [0,1,0,0,0,1|2,0,0]=4 6321 B10R0.28 CNCOC(=O)CC(C)(C)C 7a_106832991635_200010999194 [0,1,0,0,0,1|2,0,0]=4 6322 B10R0.28 COCCC(=O)CC(C)(C)C 1458a_100000211214_100000233755 [0,1,0,0,0,1|1,0,0]=3 6323 B10R0.28 COCCC(=O)CC(C)(C)O 1458a_100000693243_100000233755 [0,1,0,0,0,1|1,0,0]=3 6324 B10R0.28 COCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000233755 [0,1,0,0,0,1|2,0,0]=4 6325 B10R0.28 COCCC(=O)C[Si](C)(C)C 1458a_100000749529_100000233785 [0,1,0,0,0,1|1,1,0]=4 6326 B10R0.28 COCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000233755 [0,1,0,0,0,1|1,1,0]=4 6327 B10R0.28 COCCC(=O)NC(C)(C)C 11a_100000715429_100000749529 [0,1,0,0,0,1|1,0,0]=3 6328 B10R0.28 COCCC(=O)NC(C)(C)C 1626a_100000715429_100000749529 [0,1,0,0,0,1|1,0,0]=3 6329 B10R0.28 COCCC(=O)NC(C)(C)C 240690a_100000715429_100000749529 [0,1,0,0,0,1|1,0,0]=3 6330 B10R0.28 COCCC(=O)NC(C)(C)C 527a_100000715429_100000749529 [0,1,0,0,0,1|1,0,0]=3 6331 B10R0.28 COCCC(=O)OC(C)(C)C 34a_100011934494_200000210301 [0,1,0,0,0,1|1,0,0]=3 6332 B10R0.28 COCCC(=O)OC(C)(C)C 34a_100138415774_100009816755 [0,1,0,0,0,1|1,0,0]=3 6333 B10R0.28 COCCC(=O)OC(C)(C)C 7a_100011934494_200000210301 [0,1,0,0,0,1|1,0,0]=3 6334 B10R0.28 COCOC(=O)CC(C)(C)C 34a_100138415774_200010999194 [0,1,0,0,0,1|2,0,0]=4 6335 B10R0.28 CSCCC(=O)CC(C)(C)C 1458a_100000211214_100000751147 [0,1,0,0,0,1|1,0,0]=3 6336 B10R0.28 CSCCC(=O)CC(C)(C)O 1458a_100000693243_100000751147 [0,1,0,0,0,1|1,0,0]=3 6337 B10R0.28 CSCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000751147 [0,1,0,0,0,1|2,0,0]=4 6338 B10R0.28 CSCCC(=O)C[Si](C)(C)C 1458a_100000174002_100000233785 [0,1,0,0,0,1|1,1,0]=4 6339 B10R0.28 CSCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000751147 [0,1,0,0,0,1|1,1,0]=4 6340 B10R0.28 CSCCC(=O)NC(C)(C)C 11a_100000715429_100000174002 [0,1,0,0,0,1|1,0,0]=3 6341 B10R0.28 CSCCC(=O)NC(C)(C)C 1626a_100000715429_100000174002 [0,1,0,0,0,1|1,0,0]=3 6342 B10R0.28 CSCCC(=O)NC(C)(C)C 240690a_100000715429_100000174002 [0,1,0,0,0,1|1,0,0]=3 6343 B10R0.28 CSCCC(=O)NC(C)(C)C 527a_100000715429_100000174002 [0,1,0,0,0,1|1,0,0]=3 6344 B10R0.28 CSCCC(=O)NC(C)(C)C 62a_100011194433_200000210301 [0,1,0,0,0,1|1,0,0]=3 6345 B10R0.28 CSCCC(=O)NC(C)(C)C 62a_200000210301_100011194433 [0,1,0,0,0,1|1,0,0]=3 6346 B10R0.28 CSCCC(=O)OC(C)(C)C 62a_100009816755_200000210301 [0,1,0,0,0,1|1,0,0]=3 6347 B10R0.28 CSCCC(=O)OC(C)(C)C 62a_200000210301_100009816755 [0,1,0,0,0,1|1,0,0]=3 6348 B10R0.28 CSCOC(=O)CC(C)(C)C 62a_200000210301_200010999194 [0,1,0,0,0,1|2,0,0]=4 6349 B10R0.28 CSCOC(=O)CC(C)(C)C 62a_200010999194_200000210301 [0,1,0,0,0,1|2,0,0]=4 6350 B10R0.28 C[N+](C)(C)CC(=O)CCCF 1458a_100000033712_100011934791 [0,1,0,0,0,1|2,0,0]=4 6351 B10R0.28 C[N+](C)(C)CC(=O)CCCO 1458a_100000033712_100011215043 [0,1,0,0,0,1|2,0,0]=4 6352 B10R0.28 C[Si](C)(C)CC(=O)CCCF 1458a_100011218504_100011934791 [0,1,0,0,0,1|1,1,0]=4 6353 B10R0.28 C[Si](C)(C)CC(=O)CCCO 1458a_100011218504_100011215043 [0,1,0,0,0,1|1,1,0]=4 6354 B10R0.32 C=C(C)CC(=O)C(C)CCC 1458a_100000210906_100000748629 [0,1,0,0,0,1|0,0,2]=4 6355 B10R0.32 C=C(C)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000748629 [0,1,0,0,0,1|0,0,2]=4 6356 B10R0.32 C=C(CC(C)C)C(C)NCC 269862a_100015525214_100009860644 [0,1,0,0,0,1|2,0,0]=4 6357 B10R0.32 C=CCC(C)C(=O)CC(C)C 1458a_100011216819_100000210624 [0,1,0,0,0,1|0,0,2]=4 6358 B10R0.32 C=CCC(C)C(=O)NC(C)C 11a_100138425928_100011216819 [0,1,0,0,0,1|0,0,2]=4 6359 B10R0.32 C=CCC(C)C(=O)NC(C)C 1626a_100138425928_100011216819 [0,1,0,0,0,1|0,0,2]=4 6360 B10R0.32 C=CCC(C)C(=O)NC(C)C 240690a_100138425928_100011216819 [0,1,0,0,0,1|0,0,2]=4 6361 B10R0.32 C=CCC(C)C(=O)NC(C)C 527a_100138425928_100011216819 [0,1,0,0,0,1|0,0,2]=4 6362 B10R0.32 CC(=CC(=O)C(C)CCO)C 1458a_100000211388_100009893172 [0,1,0,0,0,1|1,0,1]=4 6363 B10R0.32 CC(C)CC(=O)C(C)CC#N 1458a_100000210554_100009813641 [0,1,0,0,0,1|1,0,1]=4 6364 B10R0.32 CC(C)CC(=O)C(C)CCO 1458a_100000210554_100009893172 [0,1,0,0,0,1|1,0,0]=3 6365 B10R0.32 CC(C)CC(=O)N(C)CCO 240690a_100000210263_100000210554 [0,1,0,0,0,1|2,0,0]=4 6366 B10R0.32 CC(C)CC(=O)N(C)CCO 527a_100000210263_100000210554 [0,1,0,0,0,1|2,0,0]=4 6367 B10R0.32 CC(C)NC(=O)C(=O)CCF 1458a_100011220036_100011217306 [0,1,0,0,0,1|1,0,1]=4 6368 B10R0.32 CC(C)NC(=O)C(=O)CCO 1458a_100011220036_100000211926 [0,1,0,0,0,1|1,0,1]=4 6369 B10R0.32 CC(C)NC(=O)C(C)NCF 34a_100015205314_100015361967 [0,1,0,0,0,1|2,0,0]=4 6370 B10R0.32 CC(C)NC(=O)C(C)SCF 62a_100000195394_100015361967 [0,1,0,0,0,1|2,0,0]=4 6371 B10R0.32 CC(C)NC(=O)C(C)SCF 62a_100015361967_100000195394 [0,1,0,0,0,1|2,0,0]=4 6372 B10R0.32 CC(C)NC(=O)N(C)CCO 2708a_100138425928_100000210263 [0,1,0,0,0,1|2,0,0]=4 6373 B10R0.32 CC(C)NC(=O)N(C)CCO 273464a_100138425928_100000210263 [0,1,0,0,0,1|2,0,0]=4 6374 B10R0.32 CC(C)OC(=O)[C@@H](C)OCF 34a_100015307928_100015361967 [0,1,0,0,0,1|2,0,0]=4 6375 B10R0.32 CC(C)OC(=O)[C@@H](C)OCF 7a_100015307928_100015361967 [0,1,0,0,0,1|2,0,0]=4 6376 B10R0.32 CC(C)OC(=O)[C@@H](N)CO[13CH3] 34a_100121572844_200025704644 [0,1,0,0,0,1|1,0,0]=3 6377 B10R0.32 CC(CCO)C(=O)CN(C)C 1458a_100000750896_100009893172 [0,1,0,0,0,1|2,0,0]=4 6378 B10R0.32 CC(CCO)C(=O)C[C@@H](C)O 1458a_100011933948_100009893172 [0,1,0,0,0,1|2,0,0]=4 6379 B10R0.32 CC(CCO)C(=O)C[S+](C)C 1458a_200159257847_100009893172 [0,1,0,0,0,1|2,0,0]=4 6380 B10R0.32 CC/C=C(\C)/C(=O)CC(C)C 1458a_100016988807_100000210624 [0,1,0,0,0,1|0,0,2]=4 6381 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 11a_100138425928_100016988807 [0,1,0,0,0,1|0,0,2]=4 6382 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 1626a_100138425928_100016988807 [0,1,0,0,0,1|0,0,2]=4 6383 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 240690a_100138425928_100016988807 [0,1,0,0,0,1|0,0,2]=4 6384 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 527a_100138425928_100016988807 [0,1,0,0,0,1|0,0,2]=4 6385 B10R0.32 CCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210303 [0,1,0,0,0,1|0,0,1]=3 6386 B10R0.32 CCCC(C)C(=O)C=C(C)C 1458a_100000211388_100000766640 [0,1,0,0,0,1|0,0,1]=3 6387 B10R0.32 CCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000766640 [0,1,0,0,0,1|1,0,1]=4 6388 B10R0.32 CCCC(C)C(=O)C=C(C)I 1458a_100025716642_100000766640 [0,1,0,0,0,1|1,0,1]=4 6389 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210554_100000766640 [0,1,0,0,0,1|0,0,0]=2 6390 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210906_100000210624 [0,1,0,0,0,1|0,0,0]=2 6391 B10R0.32 CCCC(C)C(=O)CC(C)O 1458a_100000210906_100011218427 [0,1,0,0,0,1|1,0,0]=3 6392 B10R0.32 CCCC(C)C(=O)CC(F)F 1458a_100000210906_100011934356 [0,1,0,0,0,1|2,0,0]=4 6393 B10R0.32 CCCC(C)C(=O)CN(C)C 1458a_100000750896_100000766640 [0,1,0,0,0,1|1,0,0]=3 6394 B10R0.32 CCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000766640 [0,1,0,0,0,1|1,0,0]=3 6395 B10R0.32 CCCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000766640 [0,1,0,0,0,1|1,0,0]=3 6396 B10R0.32 CCCC(C)C(=O)NC(C)C 11a_100138425928_100000210906 [0,1,0,0,0,1|0,0,0]=2 6397 B10R0.32 CCCC(C)C(=O)NC(C)C 1626a_100138425928_100000210906 [0,1,0,0,0,1|0,0,0]=2 6398 B10R0.32 CCCC(C)C(=O)NC(C)C 240690a_100138425928_100000210906 [0,1,0,0,0,1|0,0,0]=2 6399 B10R0.32 CCCC(C)C(=O)NC(C)C 527a_100138425928_100000210906 [0,1,0,0,0,1|0,0,0]=2 6400 B10R0.32 CCCC(C)C(C)OC(C)C 34a_100000708338_100000210206 [0,1,0,0,0,1|1,0,1]=4 6401 B10R0.32 CCCC(C)C(C)OC(C)C 7a_100000708338_100000210206 [0,1,0,0,0,1|1,0,1]=4 6402 B10R0.32 CCCC(C)N(C)CC(C)C 2230a_100000747067_100000766640 [0,1,0,0,0,1|2,0,0]=4 6403 B10R0.32 CCCC(C)N(C)CC(C)C 269982a_100000747067_100000766640 [0,1,0,0,0,1|2,0,0]=4 6404 B10R0.32 CCCC(C)N(C)CC(C)C 270004a_100000747067_100000211909 [0,1,0,0,0,1|2,0,0]=4 6405 B10R0.32 CCCN(C)C(=O)C=C(C)C 11a_100000747261_100000211388 [0,1,0,0,0,1|1,0,1]=4 6406 B10R0.32 CCCN(C)C(=O)C=C(C)C 1626a_100000747261_100000211388 [0,1,0,0,0,1|1,0,1]=4 6407 B10R0.32 CCCN(C)C(=O)C=C(C)C 240690a_100000747261_100000211388 [0,1,0,0,0,1|1,0,1]=4 6408 B10R0.32 CCCN(C)C(=O)CC(C)C 11a_100000747261_100000210554 [0,1,0,0,0,1|1,0,0]=3 6409 B10R0.32 CCCN(C)C(=O)CC(C)C 1626a_100000747261_100000210554 [0,1,0,0,0,1|1,0,0]=3 6410 B10R0.32 CCCN(C)C(=O)CC(C)C 240690a_100000747261_100000210554 [0,1,0,0,0,1|1,0,0]=3 6411 B10R0.32 CCCN(C)C(=O)CC(C)C 527a_100000747261_100000210554 [0,1,0,0,0,1|1,0,0]=3 6412 B10R0.32 CCCN(C)C(=O)CN(C)C 11a_100000747261_100000750896 [0,1,0,0,0,1|2,0,0]=4 6413 B10R0.32 CCCN(C)C(=O)CN(C)C 240690a_100000747261_100000750896 [0,1,0,0,0,1|2,0,0]=4 6414 B10R0.32 CCCN(C)C(=O)CN(C)C 527a_100000747261_100000750896 [0,1,0,0,0,1|2,0,0]=4 6415 B10R0.32 CCCN(C)C(=O)C[C@@H](C)O 240690a_100000747261_100011933948 [0,1,0,0,0,1|2,0,0]=4 6416 B10R0.32 CCCN(C)C(=O)C[S+](C)C 11a_100000747261_200159257847 [0,1,0,0,0,1|2,0,0]=4 6417 B10R0.32 CCCN(C)C(=O)C[S+](C)C 1626a_100000747261_200159257847 [0,1,0,0,0,1|2,0,0]=4 6418 B10R0.32 CCCN(C)C(=O)C[S+](C)C 240690a_100000747261_200159257847 [0,1,0,0,0,1|2,0,0]=4 6419 B10R0.32 CCCN(C)C(=O)C[S+](C)C 527a_100000747261_200159257847 [0,1,0,0,0,1|2,0,0]=4 6420 B10R0.32 CCCN(C)C(=O)NC(C)C 2708a_100138425928_100000747261 [0,1,0,0,0,1|1,0,0]=3 6421 B10R0.32 CCCN(C)C(=O)NC(C)C 273464a_100138425928_100000747261 [0,1,0,0,0,1|1,0,0]=3 6422 B10R0.32 CCC[C@H](O)C(=O)CC(C)C 1458a_100009822183_100000210624 [0,1,0,0,0,1|0,0,0]=2 6423 B10R0.32 CCC[C@H](O)C(=O)CC(C)O 1458a_100009822183_100011218427 [0,1,0,0,0,1|1,0,0]=3 6424 B10R0.32 CCC[C@H](O)C(=O)CC(F)F 1458a_100009822183_100011934356 [0,1,0,0,0,1|2,0,0]=4 6425 B10R0.32 CCC[C@H](O)C(=O)NC(C)C 240690a_100138425928_100009822183 [0,1,0,0,0,1|0,0,0]=2 6426 B10R0.32 CCNC(=O)C(=O)CC(C)C 1458a_200011297158_100000210624 [0,1,0,0,0,1|1,0,1]=4 6427 B10R0.32 CCNC(=O)C(=O)NC(C)C 1626a_100138425928_200011297158 [0,1,0,0,0,1|1,0,1]=4 6428 B10R0.32 CCNC(=O)C(=O)NC(C)C 240690a_100015525214_100011220036 [0,1,0,0,0,1|1,0,1]=4 6429 B10R0.32 CCNC(=O)C(=O)NC(C)C 240690a_100138425928_200011297158 [0,1,0,0,0,1|1,0,1]=4 6430 B10R0.32 CCNC(=O)C(=O)NC(C)C 527a_100015525214_100011220036 [0,1,0,0,0,1|1,0,1]=4 6431 B10R0.32 CCNC(=O)C(=O)NC(C)C 527a_100138425928_200011297158 [0,1,0,0,0,1|1,0,1]=4 6432 B10R0.32 CCNC(C)C(=O)NC(C)C 2230a_100015205314_100000210202 [0,1,0,0,0,1|1,0,0]=3 6433 B10R0.32 CCNC(C)C(=O)NC(C)C 2230a_100015525214_100000195394 [0,1,0,0,0,1|1,0,0]=3 6434 B10R0.32 CCNC(C)C(=O)NC(C)C 34a_100015205314_100000210202 [0,1,0,0,0,1|1,0,0]=3 6435 B10R0.32 CCOC(=O)C(=O)NC(C)C 11a_100138425928_100014798877 [0,1,0,0,0,1|1,0,1]=4 6436 B10R0.32 CCOC(=O)C(=O)NC(C)C 1626a_100138425928_100014798877 [0,1,0,0,0,1|1,0,1]=4 6437 B10R0.32 CCOC(=O)C(=O)NC(C)C 240690a_100138425928_100014798877 [0,1,0,0,0,1|1,0,1]=4 6438 B10R0.32 CCOC(C)C(=O)CC(C)C 1458a_100000739345_100000210624 [0,1,0,0,0,1|1,0,0]=3 6439 B10R0.32 CCOC(C)C(=O)CC(C)O 1458a_100000739345_100011218427 [0,1,0,0,0,1|2,0,0]=4 6440 B10R0.32 CCOC(C)C(=O)NC(C)C 11a_100138425928_100000739345 [0,1,0,0,0,1|1,0,0]=3 6441 B10R0.32 CCOC(C)C(=O)NC(C)C 1626a_100138425928_100000739345 [0,1,0,0,0,1|1,0,0]=3 6442 B10R0.32 CCOC(C)C(=O)NC(C)C 240690a_100138425928_100000739345 [0,1,0,0,0,1|1,0,0]=3 6443 B10R0.32 CCOC(C)C(=O)NC(C)C 34a_100121572206_100000195394 [0,1,0,0,0,1|1,0,0]=3 6444 B10R0.32 CCOC(C)C(=O)NC(C)C 527a_100138425928_100000739345 [0,1,0,0,0,1|1,0,0]=3 6445 B10R0.32 CCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210202 [0,1,0,0,0,1|1,0,0]=3 6446 B10R0.32 CCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210202 [0,1,0,0,0,1|1,0,0]=3 6447 B10R0.32 CCSC(C)C(=O)CC(C)C 1458a_100000230601_100000210624 [0,1,0,0,0,1|1,0,0]=3 6448 B10R0.32 CCSC(C)C(=O)CC(C)O 1458a_100000230601_100011218427 [0,1,0,0,0,1|2,0,0]=4 6449 B10R0.32 CCSC(C)C(=O)NC(C)C 11a_100138425928_100000230601 [0,1,0,0,0,1|1,0,0]=3 6450 B10R0.32 CCSC(C)C(=O)NC(C)C 1626a_100138425928_100000230601 [0,1,0,0,0,1|1,0,0]=3 6451 B10R0.32 CCSC(C)C(=O)NC(C)C 240690a_100138425928_100000230601 [0,1,0,0,0,1|1,0,0]=3 6452 B10R0.32 CCSC(C)C(=O)NC(C)C 527a_100138425928_100000230601 [0,1,0,0,0,1|1,0,0]=3 6453 B10R0.32 CCSC(C)C(=O)NC(C)C 62a_100000195394_100000210202 [0,1,0,0,0,1|1,0,0]=3 6454 B10R0.32 CCSC(C)C(=O)NC(C)C 62a_100000210202_100000195394 [0,1,0,0,0,1|1,0,0]=3 6455 B10R0.32 COCC(C)C(=O)C=C(C)C 1458a_100000211388_100000765312 [0,1,0,0,0,1|1,0,1]=4 6456 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000210554_100000765312 [0,1,0,0,0,1|1,0,0]=3 6457 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000751857_100000210624 [0,1,0,0,0,1|1,0,0]=3 6458 B10R0.32 COCC(C)C(=O)CC(C)O 1458a_100000751857_100011218427 [0,1,0,0,0,1|2,0,0]=4 6459 B10R0.32 COCC(C)C(=O)CN(C)C 1458a_100000750896_100000765312 [0,1,0,0,0,1|2,0,0]=4 6460 B10R0.32 COCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000765312 [0,1,0,0,0,1|2,0,0]=4 6461 B10R0.32 COCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000765312 [0,1,0,0,0,1|2,0,0]=4 6462 B10R0.32 COCC(C)C(=O)NC(C)C 11a_100138425928_100000751857 [0,1,0,0,0,1|1,0,0]=3 6463 B10R0.32 COCC(C)C(=O)NC(C)C 1626a_100138425928_100000751857 [0,1,0,0,0,1|1,0,0]=3 6464 B10R0.32 COCC(C)C(=O)NC(C)C 240690a_100138425928_100000751857 [0,1,0,0,0,1|1,0,0]=3 6465 B10R0.32 COCC(C)C(=O)NC(C)C 527a_100138425928_100000751857 [0,1,0,0,0,1|1,0,0]=3 6466 B10R0.32 COC[C@H](N)C(=O)OC(C)C 34a_100121572844_200000210301 [0,1,0,0,0,1|1,0,0]=3 6467 B10R0.32 CSCC(C)C(=O)CC(C)C 1458a_100000753918_100000210624 [0,1,0,0,0,1|1,0,0]=3 6468 B10R0.32 CSCC(C)C(=O)CC(C)O 1458a_100000753918_100011218427 [0,1,0,0,0,1|2,0,0]=4 6469 B10R0.32 CSCC(C)C(=O)NC(C)C 11a_100138425928_100000753918 [0,1,0,0,0,1|1,0,0]=3 6470 B10R0.32 CSCC(C)C(=O)NC(C)C 1626a_100138425928_100000753918 [0,1,0,0,0,1|1,0,0]=3 6471 B10R0.32 CSCC(C)C(=O)NC(C)C 240690a_100138425928_100000753918 [0,1,0,0,0,1|1,0,0]=3 6472 B10R0.32 CSCC(C)C(=O)NC(C)C 527a_100138425928_100000753918 [0,1,0,0,0,1|1,0,0]=3 6473 B10R0.44 C=C(C)CC(=O)CC(C)CC 1458a_100000708755_100000748629 [0,1,0,0,0,1|0,0,2]=4 6474 B10R0.44 C=C(C)CC(=O)CC(O)CC 1458a_100011667805_100000748629 [0,1,0,0,0,1|0,0,2]=4 6475 B10R0.44 C=CC(C)CC(=O)CC(C)C 1458a_100011934298_100000210624 [0,1,0,0,0,1|0,0,2]=4 6476 B10R0.44 C=CC(C)CC(=O)NC(C)C 11a_100138425928_100011934298 [0,1,0,0,0,1|0,0,2]=4 6477 B10R0.44 C=CC(C)CC(=O)NC(C)C 1626a_100138425928_100011934298 [0,1,0,0,0,1|0,0,2]=4 6478 B10R0.44 C=CC(C)CC(=O)NC(C)C 240690a_100138425928_100011934298 [0,1,0,0,0,1|0,0,2]=4 6479 B10R0.44 C=CC(C)CC(=O)NC(C)C 527a_100138425928_100011934298 [0,1,0,0,0,1|0,0,2]=4 6480 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)C 1458a_100000211388_100000059175 [0,1,0,0,0,1|1,0,1]=4 6481 B10R0.44 CC(C)CC(=O)C[C@@H](C)CO 1458a_100000210554_100000059175 [0,1,0,0,0,1|1,0,0]=3 6482 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100000210554 [0,1,0,0,0,1|2,0,0]=4 6483 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100000210554 [0,1,0,0,0,1|2,0,0]=4 6484 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100000210554 [0,1,0,0,0,1|2,0,0]=4 6485 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100000210554 [0,1,0,0,0,1|2,0,0]=4 6486 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000210554 [0,1,0,0,0,1|2,0,0]=4 6487 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000210554 [0,1,0,0,0,1|2,0,0]=4 6488 B10R0.44 CC(C)NC(=O)CC(=O)CO 1458a_100000210174_100000183996 [0,1,0,0,0,1|1,0,1]=4 6489 B10R0.44 CC(C)NC(=O)CN(C)CF 269982a_100000168146_100015361967 [0,1,0,0,0,1|2,0,0]=4 6490 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 2708a_100138425928_100102880703 [0,1,0,0,0,1|2,0,0]=4 6491 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 273464a_100138425928_100102880703 [0,1,0,0,0,1|2,0,0]=4 6492 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 512a_100102880703_100138425928 [0,1,0,0,0,1|2,0,0]=4 6493 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 512a_100138425928_100102880703 [0,1,0,0,0,1|2,0,0]=4 6494 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 2708a_100138425928_100000737577 [0,1,0,0,0,1|2,0,0]=4 6495 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 512a_100000737577_100138425928 [0,1,0,0,0,1|2,0,0]=4 6496 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 512a_100138425928_100000737577 [0,1,0,0,0,1|2,0,0]=4 6497 B10R0.44 CC(C)OC(=O)CC(=O)CO 1458a_100000210174_100011215430 [0,1,0,0,0,1|1,0,1]=4 6498 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_100000067433_200025704644 [0,1,0,0,0,1|2,0,0]=4 6499 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_200025704644_100000067433 [0,1,0,0,0,1|2,0,0]=4 6500 B10R0.44 CCC(=CC(=O)CC(C)C)C 1458a_100020758463_100000210624 [0,1,0,0,0,1|0,0,2]=4 6501 B10R0.44 CCC(=CC(=O)NC(C)C)C 11a_100138425928_100020758463 [0,1,0,0,0,1|0,0,2]=4 6502 B10R0.44 CCC(=CC(=O)NC(C)C)C 1626a_100138425928_100020758463 [0,1,0,0,0,1|0,0,2]=4 6503 B10R0.44 CCC(=CC(=O)NC(C)C)C 240690a_100138425928_100020758463 [0,1,0,0,0,1|0,0,2]=4 6504 B10R0.44 CCC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747405 [0,1,0,0,0,1|0,0,2]=4 6505 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [0,1,0,0,0,1|0,0,1]=3 6506 B10R0.44 CCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747405 [0,1,0,0,0,1|1,0,1]=4 6507 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [0,1,0,0,0,1|1,0,1]=4 6508 B10R0.44 CCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747405 [0,1,0,0,0,1|1,0,1]=4 6509 B10R0.44 CCC(=O)CC(=O)NC(C)C 1458a_100000210414_100000183996 [0,1,0,0,0,1|0,0,1]=3 6510 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [0,1,0,0,0,1|0,0,1]=3 6511 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [0,1,0,0,0,1|0,0,1]=3 6512 B10R0.44 CCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748023 [0,1,0,0,0,1|1,0,1]=4 6513 B10R0.44 CCC(C)CC(=O)C=C(C)I 1458a_100025716642_100000748023 [0,1,0,0,0,1|1,0,1]=4 6514 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [0,1,0,0,0,1|0,0,0]=2 6515 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [0,1,0,0,0,1|0,0,0]=2 6516 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,1,0,0,0,1|1,0,0]=3 6517 B10R0.44 CCC(C)CC(=O)CC(F)F 1458a_100000708755_100011934356 [0,1,0,0,0,1|2,0,0]=4 6518 B10R0.44 CCC(C)CC(=O)CN(C)C 1458a_100000750896_100000748023 [0,1,0,0,0,1|1,0,0]=3 6519 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,1,0,0,0,1|1,0,0]=3 6520 B10R0.44 CCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748023 [0,1,0,0,0,1|1,0,0]=3 6521 B10R0.44 CCC(C)CC(=O)NC(C)C 11a_100138425928_100000708755 [0,1,0,0,0,1|0,0,0]=2 6522 B10R0.44 CCC(C)CC(=O)NC(C)C 1626a_100138425928_100000708755 [0,1,0,0,0,1|0,0,0]=2 6523 B10R0.44 CCC(C)CC(=O)NC(C)C 240690a_100138425928_100000708755 [0,1,0,0,0,1|0,0,0]=2 6524 B10R0.44 CCC(C)CC(=O)NC(C)C 527a_100138425928_100000708755 [0,1,0,0,0,1|0,0,0]=2 6525 B10R0.44 CCC(C)CC(C)NC(C)C 2230a_100000763565_100000210206 [0,1,0,0,0,1|1,0,1]=4 6526 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000747067_100000748023 [0,1,0,0,0,1|2,0,0]=4 6527 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000753921_100000210760 [0,1,0,0,0,1|2,0,0]=4 6528 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000747067_100000748023 [0,1,0,0,0,1|2,0,0]=4 6529 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000753921_100000210624 [0,1,0,0,0,1|2,0,0]=4 6530 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000747067_100000243153 [0,1,0,0,0,1|2,0,0]=4 6531 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000753921_100000210432 [0,1,0,0,0,1|2,0,0]=4 6532 B10R0.44 CCC(C)NC(=O)C=C(C)C 11a_100000209981_100000211388 [0,1,0,0,0,1|1,0,1]=4 6533 B10R0.44 CCC(C)NC(=O)C=C(C)C 1626a_100000209981_100000211388 [0,1,0,0,0,1|1,0,1]=4 6534 B10R0.44 CCC(C)NC(=O)C=C(C)C 240690a_100000209981_100000211388 [0,1,0,0,0,1|1,0,1]=4 6535 B10R0.44 CCC(C)NC(=O)CC(C)C 11a_100000209981_100000210554 [0,1,0,0,0,1|1,0,0]=3 6536 B10R0.44 CCC(C)NC(=O)CC(C)C 1626a_100000209981_100000210554 [0,1,0,0,0,1|1,0,0]=3 6537 B10R0.44 CCC(C)NC(=O)CC(C)C 240690a_100000209981_100000210554 [0,1,0,0,0,1|1,0,0]=3 6538 B10R0.44 CCC(C)NC(=O)CC(C)C 527a_100000209981_100000210554 [0,1,0,0,0,1|1,0,0]=3 6539 B10R0.44 CCC(C)NC(=O)CN(C)C 11a_100000209981_100000750896 [0,1,0,0,0,1|2,0,0]=4 6540 B10R0.44 CCC(C)NC(=O)CN(C)C 2230a_100102631434_100000182745 [0,1,0,0,0,1|2,0,0]=4 6541 B10R0.44 CCC(C)NC(=O)CN(C)C 240690a_100000209981_100000750896 [0,1,0,0,0,1|2,0,0]=4 6542 B10R0.44 CCC(C)NC(=O)CN(C)C 269982a_100102631434_100000182745 [0,1,0,0,0,1|2,0,0]=4 6543 B10R0.44 CCC(C)NC(=O)CN(C)C 527a_100000209981_100000750896 [0,1,0,0,0,1|2,0,0]=4 6544 B10R0.44 CCC(C)NC(=O)C[C@@H](C)O 240690a_100000209981_100011933948 [0,1,0,0,0,1|2,0,0]=4 6545 B10R0.44 CCC(C)NC(=O)C[S+](C)C 11a_100000209981_200159257847 [0,1,0,0,0,1|2,0,0]=4 6546 B10R0.44 CCC(C)NC(=O)C[S+](C)C 1626a_100000209981_200159257847 [0,1,0,0,0,1|2,0,0]=4 6547 B10R0.44 CCC(C)NC(=O)C[S+](C)C 240690a_100000209981_200159257847 [0,1,0,0,0,1|2,0,0]=4 6548 B10R0.44 CCC(C)NC(=O)C[S+](C)C 527a_100000209981_200159257847 [0,1,0,0,0,1|2,0,0]=4 6549 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100000209981_100138425928 [0,1,0,0,0,1|1,0,0]=3 6550 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100138425928_100000209981 [0,1,0,0,0,1|1,0,0]=3 6551 B10R0.44 CCC(C)NC(=O)NC(C)C 273464a_100138425928_100000209981 [0,1,0,0,0,1|1,0,0]=3 6552 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100000209981_100138425928 [0,1,0,0,0,1|1,0,0]=3 6553 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100138425928_100000209981 [0,1,0,0,0,1|1,0,0]=3 6554 B10R0.44 CCC(O)CC(=O)C=C(C)C 1458a_100000211388_100011218378 [0,1,0,0,0,1|0,0,1]=3 6555 B10R0.44 CCC(O)CC(=O)C=C(C)Cl 1458a_200042562850_100011218378 [0,1,0,0,0,1|1,0,1]=4 6556 B10R0.44 CCC(O)CC(=O)C=C(C)I 1458a_100025716642_100011218378 [0,1,0,0,0,1|1,0,1]=4 6557 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [0,1,0,0,0,1|0,0,0]=2 6558 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [0,1,0,0,0,1|0,0,0]=2 6559 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [0,1,0,0,0,1|1,0,0]=3 6560 B10R0.44 CCC(O)CC(=O)CC(F)F 1458a_100011667805_100011934356 [0,1,0,0,0,1|2,0,0]=4 6561 B10R0.44 CCC(O)CC(=O)CN(C)C 1458a_100000750896_100011218378 [0,1,0,0,0,1|1,0,0]=3 6562 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [0,1,0,0,0,1|1,0,0]=3 6563 B10R0.44 CCC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218378 [0,1,0,0,0,1|1,0,0]=3 6564 B10R0.44 CCC(O)CC(=O)NC(C)C 1626a_100138425928_100011667805 [0,1,0,0,0,1|0,0,0]=2 6565 B10R0.44 CCC(O)CC(=O)NC(C)C 240690a_100138425928_100011667805 [0,1,0,0,0,1|0,0,0]=2 6566 B10R0.44 CCC(O)CN(C)CC(C)C 2230a_100000747067_100011218378 [0,1,0,0,0,1|2,0,0]=4 6567 B10R0.44 CCC(O)CN(C)CC(C)C 269982a_100000747067_100011218378 [0,1,0,0,0,1|2,0,0]=4 6568 B10R0.44 CCN(C)CC(=O)CC(C)C 1458a_100116209913_100000210624 [0,1,0,0,0,1|1,0,0]=3 6569 B10R0.44 CCN(C)CC(=O)CC(C)O 1458a_100116209913_100011218427 [0,1,0,0,0,1|2,0,0]=4 6570 B10R0.44 CCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210202 [0,1,0,0,0,1|1,0,0]=3 6571 B10R0.44 CCN(C)CC(=O)NC(C)C 2230a_100000225621_100000183996 [0,1,0,0,0,1|1,0,0]=3 6572 B10R0.44 CCN(C)CC(=O)NC(C)C 240690a_100138425928_100116209913 [0,1,0,0,0,1|1,0,0]=3 6573 B10R0.44 CCN(C)CC(=O)NC(C)C 269982a_100000168146_100000204670 [0,1,0,0,0,1|1,0,0]=3 6574 B10R0.44 CCN(C)CC(=O)NC(C)C 269982a_100000225621_100000183996 [0,1,0,0,0,1|1,0,0]=3 6575 B10R0.44 CCN(C)CC(=O)NC(C)C 527a_100138425928_100116209913 [0,1,0,0,0,1|1,0,0]=3 6576 B10R0.44 CCN(C)CC(=O)OC(C)C 2230a_100000225621_100011215430 [0,1,0,0,0,1|1,0,0]=3 6577 B10R0.44 CCN(C)CC(=O)OC(C)C 269982a_100000225621_100011215430 [0,1,0,0,0,1|1,0,0]=3 6578 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [0,1,0,0,0,1|0,0,1]=3 6579 B10R0.44 CC[C@H](C)CC(=O)C=C(C)Cl 1458a_200042562850_100009816398 [0,1,0,0,0,1|1,0,1]=4 6580 B10R0.44 CC[C@H](C)CC(=O)C=C(C)I 1458a_100025716642_100009816398 [0,1,0,0,0,1|1,0,1]=4 6581 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [0,1,0,0,0,1|0,0,0]=2 6582 B10R0.44 CC[C@H](C)CC(=O)CN(C)C 1458a_100000750896_100009816398 [0,1,0,0,0,1|1,0,0]=3 6583 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [0,1,0,0,0,1|1,0,0]=3 6584 B10R0.44 CC[C@H](C)CC(=O)C[S+](C)C 1458a_200159257847_100009816398 [0,1,0,0,0,1|1,0,0]=3 6585 B10R0.44 CC[C@H](C)CN(C)CC(C)C 2230a_100000747067_100009816398 [0,1,0,0,0,1|2,0,0]=4 6586 B10R0.44 CC[C@H](C)CN(C)CC(C)C 269982a_100000747067_100009816398 [0,1,0,0,0,1|2,0,0]=4 6587 B10R0.44 CNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183359 [0,1,0,0,0,1|1,0,1]=4 6588 B10R0.44 CNC(C)OC(=O)OC(C)C 7a_106832991635_100000067433 [0,1,0,0,0,1|2,0,0]=4 6589 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,1,0,0,0,1|1,0,1]=4 6590 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,1,0,0,0,1|1,0,1]=4 6591 B10R0.44 COC(=O)CC(=O)NC(C)C 240690a_100138425928_100000211351 [0,1,0,0,0,1|1,0,1]=4 6592 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_100000067433_200000210301 [0,1,0,0,0,1|2,0,0]=4 6593 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_200000210301_100000067433 [0,1,0,0,0,1|2,0,0]=4 6594 B10R0.44 C[C@@H](CO)CC(=O)CN(C)C 1458a_100000750896_100000059175 [0,1,0,0,0,1|2,0,0]=4 6595 B10R0.44 C[C@@H](CO)CC(=O)C[C@@H](C)O 1458a_100011933948_100000059175 [0,1,0,0,0,1|2,0,0]=4 6596 B10R0.44 C[C@@H](CO)CC(=O)C[S+](C)C 1458a_200159257847_100000059175 [0,1,0,0,0,1|2,0,0]=4 6597 B10R0.81 C#CCCC(=O)C(C)C(C)C 1458a_100000755409_100000753159 [0,1,0,0,0,1|0,0,2]=4 6598 B10R0.81 C#CCCC(=O)N(C)C(C)C 11a_200000211004_100000692101 [0,1,0,0,0,1|0,0,2]=4 6599 B10R0.81 C#CCCC(=O)N(C)C(C)C 1626a_200000211004_100000692101 [0,1,0,0,0,1|0,0,2]=4 6600 B10R0.81 C#CCCC(=O)N(C)C(C)C 240690a_200000211004_100000692101 [0,1,0,0,0,1|0,0,2]=4 6601 B10R0.81 C#CCCC(=O)N(C)C(C)C 527a_200000211004_100000692101 [0,1,0,0,0,1|0,0,2]=4 6602 B10R0.81 C#CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000753159 [0,1,0,0,0,1|0,0,2]=4 6603 B10R0.81 C/C=C/CC(=O)C(C)C(C)C 1458a_100000755409_100102629194 [0,1,0,0,0,1|0,0,2]=4 6604 B10R0.81 C/C=C/CC(=O)[C@H](O)C(C)C 1458a_100000691806_100102629194 [0,1,0,0,0,1|0,0,2]=4 6605 B10R0.81 C=CCCC(=O)C(C)C(C)C 1458a_100000755409_100000754431 [0,1,0,0,0,1|0,0,2]=4 6606 B10R0.81 C=CCCC(=O)N(C)C(C)C 11a_200000211004_100000749702 [0,1,0,0,0,1|0,0,2]=4 6607 B10R0.81 C=CCCC(=O)N(C)C(C)C 1626a_200000211004_100000749702 [0,1,0,0,0,1|0,0,2]=4 6608 B10R0.81 C=CCCC(=O)N(C)C(C)C 240690a_200000211004_100000749702 [0,1,0,0,0,1|0,0,2]=4 6609 B10R0.81 C=CCCC(=O)N(C)C(C)C 527a_200000211004_100000749702 [0,1,0,0,0,1|0,0,2]=4 6610 B10R0.81 C=CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000754431 [0,1,0,0,0,1|0,0,2]=4 6611 B10R0.81 CC#CCC(=O)C(C)C(C)C 1458a_100000755409_100000748600 [0,1,0,0,0,1|0,0,2]=4 6612 B10R0.81 CC#CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000748600 [0,1,0,0,0,1|0,0,2]=4 6613 B10R0.81 CC(C)C(C)C(=O)CCC#N 1458a_100000755409_100011215226 [0,1,0,0,0,1|1,0,1]=4 6614 B10R0.81 CC(C)C(C)C(=O)CCCF 1458a_100000755409_100011934791 [0,1,0,0,0,1|1,0,0]=3 6615 B10R0.81 CC(C)C(C)C(=O)CCCO 1458a_100000755409_100011215043 [0,1,0,0,0,1|1,0,0]=3 6616 B10R0.81 CC(C)C(C)C(=O)NCCF 11a_100000724931_100000755409 [0,1,0,0,0,1|2,0,0]=4 6617 B10R0.81 CC(C)C(C)C(=O)NCCF 1626a_100000724931_100000755409 [0,1,0,0,0,1|2,0,0]=4 6618 B10R0.81 CC(C)C(C)C(=O)NCCF 240690a_100000724931_100000755409 [0,1,0,0,0,1|2,0,0]=4 6619 B10R0.81 CC(C)C(C)C(=O)NCCF 527a_100000724931_100000755409 [0,1,0,0,0,1|2,0,0]=4 6620 B10R0.81 CC(C)C(C)C(=O)NCCO 240690a_100000210304_100000755409 [0,1,0,0,0,1|2,0,0]=4 6621 B10R0.81 CC(C)C(C)C(=O)NCCO 527a_100000210304_100000755409 [0,1,0,0,0,1|2,0,0]=4 6622 B10R0.81 CC(C)N(C)C(=O)CCC#N 11a_200000211004_100011934036 [0,1,0,0,0,1|1,0,1]=4 6623 B10R0.81 CC(C)N(C)C(=O)CCC#N 1626a_200000211004_100011934036 [0,1,0,0,0,1|1,0,1]=4 6624 B10R0.81 CC(C)N(C)C(=O)CCC#N 240690a_200000211004_100011934036 [0,1,0,0,0,1|1,0,1]=4 6625 B10R0.81 CC(C)N(C)C(=O)CCC#N 527a_200000211004_100011934036 [0,1,0,0,0,1|1,0,1]=4 6626 B10R0.81 CC(C)N(C)C(=O)CSCF 62a_100000230190_100015361967 [0,1,0,0,0,1|2,0,0]=4 6627 B10R0.81 CC(C)N(C)C(=O)CSCF 62a_100015361967_100000230190 [0,1,0,0,0,1|2,0,0]=4 6628 B10R0.81 CC(C)N(C)C(=O)NCCF 273464a_100000724931_200000211004 [0,1,0,0,0,1|2,0,0]=4 6629 B10R0.81 CC(C)N(C)C(=O)NCCO 273464a_100000210304_200000211004 [0,1,0,0,0,1|2,0,0]=4 6630 B10R0.81 CC(C)[C@@H](O)C(=O)CCC#N 1458a_100000691806_100011215226 [0,1,0,0,0,1|1,0,1]=4 6631 B10R0.81 CC(C)[C@@H](O)C(=O)CCCF 1458a_100000691806_100011934791 [0,1,0,0,0,1|1,0,0]=3 6632 B10R0.81 CC(C)[C@@H](O)C(=O)CCCO 1458a_100000691806_100011215043 [0,1,0,0,0,1|1,0,0]=3 6633 B10R0.81 CC(C)[C@@H](O)C(=O)NCCF 240690a_100000724931_100000691806 [0,1,0,0,0,1|2,0,0]=4 6634 B10R0.81 CC(C)[C@@H](O)C(=O)NCCO 240690a_100000210304_100000691806 [0,1,0,0,0,1|2,0,0]=4 6635 B10R0.81 CC=CCC(=O)C(C)C(C)C 1458a_100000755409_100000070051 [0,1,0,0,0,1|0,0,2]=4 6636 B10R0.81 CC=CCC(=O)N(C)C(C)C 11a_200000211004_100121576822 [0,1,0,0,0,1|0,0,2]=4 6637 B10R0.81 CC=CCC(=O)N(C)C(C)C 1626a_200000211004_100121576822 [0,1,0,0,0,1|0,0,2]=4 6638 B10R0.81 CC=CCC(=O)N(C)C(C)C 240690a_200000211004_100121576822 [0,1,0,0,0,1|0,0,2]=4 6639 B10R0.81 CC=CCC(=O)N(C)C(C)C 527a_200000211004_100121576822 [0,1,0,0,0,1|0,0,2]=4 6640 B10R0.81 CC=CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000070051 [0,1,0,0,0,1|0,0,2]=4 6641 B10R0.81 CCC/C=C(\C)/C(=O)C(C)C 1458a_200020648666_100000210206 [0,1,0,0,0,1|1,0,1]=4 6642 B10R0.81 CCC=CC(=O)N(C)C(C)C 11a_200000211004_100000212282 [0,1,0,0,0,1|0,0,2]=4 6643 B10R0.81 CCC=CC(=O)N(C)C(C)C 1626a_200000211004_100000212282 [0,1,0,0,0,1|0,0,2]=4 6644 B10R0.81 CCC=CC(=O)N(C)C(C)C 240690a_200000211004_100000212282 [0,1,0,0,0,1|0,0,2]=4 6645 B10R0.81 CCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210211 [0,1,0,0,0,1|1,0,0]=3 6646 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [0,1,0,0,0,1|1,0,1]=4 6647 B10R0.81 CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210211 [0,1,0,0,0,1|0,0,0]=2 6648 B10R0.81 CCCCC(=O)N(C)C(C)C 11a_200000211004_100000210183 [0,1,0,0,0,1|0,0,0]=2 6649 B10R0.81 CCCCC(=O)N(C)C(C)C 1626a_200000211004_100000210183 [0,1,0,0,0,1|0,0,0]=2 6650 B10R0.81 CCCCC(=O)N(C)C(C)C 240690a_200000211004_100000210183 [0,1,0,0,0,1|0,0,0]=2 6651 B10R0.81 CCCCC(=O)N(C)C(C)C 527a_200000211004_100000210183 [0,1,0,0,0,1|0,0,0]=2 6652 B10R0.81 CCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210211 [0,1,0,0,0,1|1,0,0]=3 6653 B10R0.81 CCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210211 [0,1,0,0,0,1|0,0,0]=2 6654 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000210198_200011215066 [0,1,0,0,0,1|1,0,1]=4 6655 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000725509_100000210206 [0,1,0,0,0,1|1,0,1]=4 6656 B10R0.81 CCCCC(C)N(C)C(C)C 269982a_200000211004_200011215066 [0,1,0,0,0,1|1,0,1]=4 6657 B10R0.81 CCCCC(C)N(C)C(C)C 270004a_200000211004_100000210087 [0,1,0,0,0,1|1,0,1]=4 6658 B10R0.81 CCCCC(O)C(=O)C(C)C 1458a_100000720857_100000210206 [0,1,0,0,0,1|0,0,2]=4 6659 B10R0.81 CCCCN(C)C(=O)C(C)C 11a_100000207549_100000210198 [0,1,0,0,0,1|2,0,0]=4 6660 B10R0.81 CCCCN(C)C(=O)C(C)C 1626a_100000207549_100000210198 [0,1,0,0,0,1|2,0,0]=4 6661 B10R0.81 CCCCN(C)C(=O)C(C)C 240690a_100000207549_100000210198 [0,1,0,0,0,1|2,0,0]=4 6662 B10R0.81 CCCCN(C)C(=O)C(C)C 527a_100000207549_100000210198 [0,1,0,0,0,1|2,0,0]=4 6663 B10R0.81 CCCCN(C)C(C)C(C)C 2230a_100000228512_100000210211 [0,1,0,0,0,1|2,0,0]=4 6664 B10R0.81 CCCCN(C)C(C)C(C)C 269982a_100000228512_100000210211 [0,1,0,0,0,1|2,0,0]=4 6665 B10R0.81 CCCNC(=O)C(=O)C(C)C 1458a_200011297150_100000210206 [0,1,0,0,0,1|1,0,0]=3 6666 B10R0.81 CCCNC(=O)C(=O)N(C)C 1626a_100020643023_100011218876 [0,1,0,0,0,1|2,0,0]=4 6667 B10R0.81 CCCNC(=O)C(=O)N(C)C 1626a_100102631434_200011297150 [0,1,0,0,0,1|2,0,0]=4 6668 B10R0.81 CCCNC(=O)C(=O)N(C)C 240690a_100020643023_100011218876 [0,1,0,0,0,1|2,0,0]=4 6669 B10R0.81 CCCNC(=O)C(=O)N(C)C 240690a_100102631434_200011297150 [0,1,0,0,0,1|2,0,0]=4 6670 B10R0.81 CCCNC(=O)C(=O)N(C)C 527a_100020643023_100011218876 [0,1,0,0,0,1|2,0,0]=4 6671 B10R0.81 CCCNC(=O)C(=O)N(C)C 527a_100102631434_200011297150 [0,1,0,0,0,1|2,0,0]=4 6672 B10R0.81 CCCNC(=O)C(C)C(C)C 11a_100020643023_100000755409 [0,1,0,0,0,1|1,0,0]=3 6673 B10R0.81 CCCNC(=O)C(C)C(C)C 1626a_100020643023_100000755409 [0,1,0,0,0,1|1,0,0]=3 6674 B10R0.81 CCCNC(=O)C(C)C(C)C 240690a_100020643023_100000755409 [0,1,0,0,0,1|1,0,0]=3 6675 B10R0.81 CCCNC(=O)C(C)C(C)C 527a_100020643023_100000755409 [0,1,0,0,0,1|1,0,0]=3 6676 B10R0.81 CCCNC(=O)C(C)N(C)C 2230a_100102631434_100000230305 [0,1,0,0,0,1|2,0,0]=4 6677 B10R0.81 CCCNC(=O)C(C)N(C)C 269982a_100102631434_100000230305 [0,1,0,0,0,1|2,0,0]=4 6678 B10R0.81 CCCNC(=O)N(C)C(C)C 2708a_100020643023_200000211004 [0,1,0,0,0,1|1,0,0]=3 6679 B10R0.81 CCCNC(=O)N(C)C(C)C 273464a_100020643023_200000211004 [0,1,0,0,0,1|1,0,0]=3 6680 B10R0.81 CCCNC(=O)[C@H](C)N(C)C 240690a_100020643023_100009822176 [0,1,0,0,0,1|2,0,0]=4 6681 B10R0.81 CCCNC(=O)[C@H](C)N(C)C 527a_100020643023_100009822176 [0,1,0,0,0,1|2,0,0]=4 6682 B10R0.81 CCCNC(=O)[C@H](O)C(C)C 240690a_100020643023_100000691806 [0,1,0,0,0,1|1,0,0]=3 6683 B10R0.81 CCCOC(=O)C(C)N(C)C 2230a_100102631434_100000760410 [0,1,0,0,0,1|2,0,0]=4 6684 B10R0.81 CCCOC(=O)C(C)N(C)C 269982a_100102631434_100000760410 [0,1,0,0,0,1|2,0,0]=4 6685 B10R0.81 CCNCC(=O)N(C)C(C)C 2230a_100015525214_100000230190 [0,1,0,0,0,1|1,0,0]=3 6686 B10R0.81 CCNNC(=O)C(C)C(C)C 22a_100000756455_100000755409 [0,1,0,0,0,1|2,0,0]=4 6687 B10R0.81 CCNNC(=O)[C@H](O)C(C)C 22a_100000756455_100000691806 [0,1,0,0,0,1|2,0,0]=4 6688 B10R0.81 CCOCC(=O)N(C)C(C)C 11a_200000211004_100000211967 [0,1,0,0,0,1|1,0,0]=3 6689 B10R0.81 CCOCC(=O)N(C)C(C)C 1626a_200000211004_100000211967 [0,1,0,0,0,1|1,0,0]=3 6690 B10R0.81 CCOCC(=O)N(C)C(C)C 240690a_200000211004_100000211967 [0,1,0,0,0,1|1,0,0]=3 6691 B10R0.81 CCOCC(=O)N(C)C(C)C 34a_100121572206_100000230190 [0,1,0,0,0,1|1,0,0]=3 6692 B10R0.81 CCOCC(=O)N(C)C(C)C 527a_200000211004_100000211967 [0,1,0,0,0,1|1,0,0]=3 6693 B10R0.81 CCSCC(=O)N(C)C(C)C 11a_200000211004_100000230394 [0,1,0,0,0,1|1,0,0]=3 6694 B10R0.81 CCSCC(=O)N(C)C(C)C 1626a_200000211004_100000230394 [0,1,0,0,0,1|1,0,0]=3 6695 B10R0.81 CCSCC(=O)N(C)C(C)C 240690a_200000211004_100000230394 [0,1,0,0,0,1|1,0,0]=3 6696 B10R0.81 CCSCC(=O)N(C)C(C)C 527a_200000211004_100000230394 [0,1,0,0,0,1|1,0,0]=3 6697 B10R0.81 CCSCC(=O)N(C)C(C)C 62a_100000210202_100000230190 [0,1,0,0,0,1|1,0,0]=3 6698 B10R0.81 CCSCC(=O)N(C)C(C)C 62a_100000230190_100000210202 [0,1,0,0,0,1|1,0,0]=3 6699 B10R0.81 CN(C)C(=O)C(=O)CCCF 1458a_100011218876_100011934791 [0,1,0,0,0,1|2,0,0]=4 6700 B10R0.81 CN(C)C(=O)C(=O)CCCO 1458a_100011218876_100011215043 [0,1,0,0,0,1|2,0,0]=4 6701 B10R0.81 COCCC(=O)C(=O)N(C)C 1458a_100011218876_100000233755 [0,1,0,0,0,1|2,0,0]=4 6702 B10R0.81 COCCC(=O)C(C)C(C)C 1458a_100000755409_100000233755 [0,1,0,0,0,1|1,0,0]=3 6703 B10R0.81 COCCC(=O)N(C)C(C)C 11a_200000211004_100000749529 [0,1,0,0,0,1|1,0,0]=3 6704 B10R0.81 COCCC(=O)N(C)C(C)C 1626a_200000211004_100000749529 [0,1,0,0,0,1|1,0,0]=3 6705 B10R0.81 COCCC(=O)N(C)C(C)C 240690a_200000211004_100000749529 [0,1,0,0,0,1|1,0,0]=3 6706 B10R0.81 COCCC(=O)N(C)C(C)C 527a_200000211004_100000749529 [0,1,0,0,0,1|1,0,0]=3 6707 B10R0.81 COCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000233755 [0,1,0,0,0,1|2,0,0]=4 6708 B10R0.81 COCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000233755 [0,1,0,0,0,1|1,0,0]=3 6709 B10R0.81 CSCCC(=O)C(=O)N(C)C 1458a_100011218876_100000751147 [0,1,0,0,0,1|2,0,0]=4 6710 B10R0.81 CSCCC(=O)C(C)C(C)C 1458a_100000755409_100000751147 [0,1,0,0,0,1|1,0,0]=3 6711 B10R0.81 CSCCC(=O)N(C)C(C)C 11a_200000211004_100000174002 [0,1,0,0,0,1|1,0,0]=3 6712 B10R0.81 CSCCC(=O)N(C)C(C)C 1626a_200000211004_100000174002 [0,1,0,0,0,1|1,0,0]=3 6713 B10R0.81 CSCCC(=O)N(C)C(C)C 240690a_200000211004_100000174002 [0,1,0,0,0,1|1,0,0]=3 6714 B10R0.81 CSCCC(=O)N(C)C(C)C 527a_200000211004_100000174002 [0,1,0,0,0,1|1,0,0]=3 6715 B10R0.81 CSCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000751147 [0,1,0,0,0,1|2,0,0]=4 6716 B10R0.81 CSCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000751147 [0,1,0,0,0,1|1,0,0]=3 6717 B10R0.81 C[C@@H](C(=O)CCCF)N(C)C 1458a_100009822176_100011934791 [0,1,0,0,0,1|2,0,0]=4 6718 B10R0.81 C[C@@H](C(=O)CCCO)N(C)C 1458a_100009822176_100011215043 [0,1,0,0,0,1|2,0,0]=4 6719 B10R0.87 C#CC(CCCC)OC(C)C 34a_200011217967_100000210206 [0,1,0,0,0,1|1,0,1]=4 6720 B10R0.87 C#CC(CCCC)OC(C)C 7a_200011217967_100000210206 [0,1,0,0,0,1|1,0,1]=4 6721 B10R0.87 C=CC(CCCC)OC(C)C 34a_200011215037_100000210206 [0,1,0,0,0,1|1,0,1]=4 6722 B10R0.87 C=CC(CCCC)OC(C)C 7a_200011215037_100000210206 [0,1,0,0,0,1|1,0,1]=4 6723 B10R0.87 CCCCC(CC)NC(C)C 34a_100138425928_200011216223 [0,1,0,0,0,1|1,0,1]=4 6724 B10R0.87 CCCCC(CC)OC(C)C 34a_100000212225_200011216223 [0,1,0,0,0,1|1,0,1]=4 6725 B10R0.87 CCCCC(CC)OC(C)C 34a_100011215227_100000210206 [0,1,0,0,0,1|1,0,1]=4 6726 B10R0.87 CCCCC(CC)OC(C)C 7a_100011215227_100000210206 [0,1,0,0,0,1|1,0,1]=4 6727 B10R0.87 CCCCC(CC)SC(C)C 62a_100000210206_200011216223 [0,1,0,0,0,1|1,0,1]=4 6728 B10R0.87 CCCCC(CC)SC(C)C 62a_200011216223_100000210206 [0,1,0,0,0,1|1,0,1]=4 6729 B10R0.87 CCCCN(CC)CC(C)C 2230a_100000207695_100000210760 [0,1,0,0,0,1|2,0,0]=4 6730 B10R0.87 CCCCN(CC)CC(C)C 2230a_100000738554_100000210211 [0,1,0,0,0,1|2,0,0]=4 6731 B10R0.87 CCCCN(CC)CC(C)C 269982a_100000207695_100000210624 [0,1,0,0,0,1|2,0,0]=4 6732 B10R0.87 CCCCN(CC)CC(C)C 269982a_100000738554_100000210211 [0,1,0,0,0,1|2,0,0]=4 6733 B10R0.87 CCCCN(CC)CC(C)C 270004a_100000207695_100000210432 [0,1,0,0,0,1|2,0,0]=4 6734 B10R0.87 CCCC[C@@H](CO)NC(C)C 2230a_100011934283_100000210206 [0,1,0,0,0,1|0,0,2]=4 6735 B10R0.87 CCCC[C@@H](CO)NC(C)C 34a_100011934283_100000210206 [0,1,0,0,0,1|0,0,2]=4 6736 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,1,0,0,0,1|0,0,2]=4 6737 B10R0.96 C=C(C)CCC(=O)C=C(C)C 1458a_100000211388_100000730704 [0,1,0,0,0,1|0,0,2]=4 6738 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_100000210554_100000730704 [0,1,0,0,0,1|0,0,1]=3 6739 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_200000688413_100000210624 [0,1,0,0,0,1|0,0,1]=3 6740 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [0,1,0,0,0,1|1,0,1]=4 6741 B10R0.96 C=C(C)CCC(=O)CN(C)C 1458a_100000750896_100000730704 [0,1,0,0,0,1|1,0,1]=4 6742 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [0,1,0,0,0,1|1,0,1]=4 6743 B10R0.96 C=C(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000730704 [0,1,0,0,0,1|1,0,1]=4 6744 B10R0.96 C=C(C)CCC(=O)NC(C)C 11a_100138425928_200000688413 [0,1,0,0,0,1|0,0,1]=3 6745 B10R0.96 C=C(C)CCC(=O)NC(C)C 1626a_100138425928_200000688413 [0,1,0,0,0,1|0,0,1]=3 6746 B10R0.96 C=C(C)CCC(=O)NC(C)C 240690a_100138425928_200000688413 [0,1,0,0,0,1|0,0,1]=3 6747 B10R0.96 C=C(C)CCC(=O)NC(C)C 527a_100138425928_200000688413 [0,1,0,0,0,1|0,0,1]=3 6748 B10R0.96 C=C(C)CNC(=O)CC(C)C 11a_100000765925_100000210554 [0,1,0,0,0,1|1,0,1]=4 6749 B10R0.96 C=C(C)CNC(=O)CC(C)C 1626a_100000765925_100000210554 [0,1,0,0,0,1|1,0,1]=4 6750 B10R0.96 C=C(C)CNC(=O)CC(C)C 240690a_100000765925_100000210554 [0,1,0,0,0,1|1,0,1]=4 6751 B10R0.96 C=C(C)CNC(=O)CC(C)C 527a_100000765925_100000210554 [0,1,0,0,0,1|1,0,1]=4 6752 B10R0.96 C=C(C)CNC(=O)NC(C)C 2708a_100000765925_100138425928 [0,1,0,0,0,1|1,0,1]=4 6753 B10R0.96 C=C(C)CNC(=O)NC(C)C 2708a_100138425928_100000765925 [0,1,0,0,0,1|1,0,1]=4 6754 B10R0.96 C=C(C)CNC(=O)NC(C)C 273464a_100138425928_100000765925 [0,1,0,0,0,1|1,0,1]=4 6755 B10R0.96 C=C(C)CNC(=O)NC(C)C 512a_100000765925_100138425928 [0,1,0,0,0,1|1,0,1]=4 6756 B10R0.96 C=C(C)CNC(=O)NC(C)C 512a_100138425928_100000765925 [0,1,0,0,0,1|1,0,1]=4 6757 B10R0.96 CC(=CC(=O)CCC(C)C)C 1458a_100000211388_100000210312 [0,1,0,0,0,1|0,0,1]=3 6758 B10R0.96 CC(=CC(=O)CCC(C)C)Cl 1458a_200042562850_100000210312 [0,1,0,0,0,1|1,0,1]=4 6759 B10R0.96 CC(=CC(=O)CCC(C)C)I 1458a_100025716642_100000210312 [0,1,0,0,0,1|1,0,1]=4 6760 B10R0.96 CC(=CC(=O)CCC(C)O)C 1458a_100000211388_100012276601 [0,1,0,0,0,1|0,0,1]=3 6761 B10R0.96 CC(=CC(=O)CCC(C)O)Cl 1458a_200042562850_100012276601 [0,1,0,0,0,1|1,0,1]=4 6762 B10R0.96 CC(=CC(=O)CCC(C)O)I 1458a_100025716642_100012276601 [0,1,0,0,0,1|1,0,1]=4 6763 B10R0.96 CC(=CC(=O)NCC(C)C)C 11a_100000210953_100000211388 [0,1,0,0,0,1|1,0,1]=4 6764 B10R0.96 CC(=CC(=O)NCC(C)C)C 1626a_100000210953_100000211388 [0,1,0,0,0,1|1,0,1]=4 6765 B10R0.96 CC(=CC(=O)NCC(C)C)C 240690a_100000210953_100000211388 [0,1,0,0,0,1|1,0,1]=4 6766 B10R0.96 CC(=CC(=O)NCC(C)O)C 11a_100000210904_100000211388 [0,1,0,0,0,1|1,0,1]=4 6767 B10R0.96 CC(=CC(=O)NCC(C)O)C 240690a_100000210904_100000211388 [0,1,0,0,0,1|1,0,1]=4 6768 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100000210554_100000761012 [0,1,0,0,0,1|0,0,2]=4 6769 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100011220947_100000210624 [0,1,0,0,0,1|0,0,2]=4 6770 B10R0.96 CC(=CCC(=O)NC(C)C)C 11a_100138425928_100011220947 [0,1,0,0,0,1|0,0,2]=4 6771 B10R0.96 CC(=CCC(=O)NC(C)C)C 1626a_100138425928_100011220947 [0,1,0,0,0,1|0,0,2]=4 6772 B10R0.96 CC(=CCC(=O)NC(C)C)C 240690a_100138425928_100011220947 [0,1,0,0,0,1|0,0,2]=4 6773 B10R0.96 CC(=CCC(=O)NC(C)C)C 527a_100138425928_100011220947 [0,1,0,0,0,1|0,0,2]=4 6774 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [0,1,0,0,0,1|0,0,1]=3 6775 B10R0.96 CC(=O)CCC(=O)NN(C)C 1458a_100011219620_200000210301 [0,1,0,0,0,1|1,0,1]=4 6776 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,1,0,0,0,1|0,0,1]=3 6777 B10R0.96 CC(=O)CNC(=O)CC(C)C 1458a_100000194594_200000210301 [0,1,0,0,0,1|1,0,1]=4 6778 B10R0.96 CC(=O)COC(=O)OC(C)C 1458a_100000070787_100000003507 [0,1,0,0,0,1|1,0,1]=4 6779 B10R0.96 CC(=O)NCC(=O)CC(C)C 1458a_100000194580_100000210624 [0,1,0,0,0,1|1,0,1]=4 6780 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100000168517_100015343762 [0,1,0,0,0,1|1,0,1]=4 6781 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100138425928_100000194580 [0,1,0,0,0,1|1,0,1]=4 6782 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100000168517_100015343762 [0,1,0,0,0,1|1,0,1]=4 6783 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000194580 [0,1,0,0,0,1|1,0,1]=4 6784 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100000168517_100015343762 [0,1,0,0,0,1|1,0,1]=4 6785 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000194580 [0,1,0,0,0,1|1,0,1]=4 6786 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100000168517_100103153847 [0,1,0,0,0,1|1,0,1]=4 6787 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100138425928_100000194580 [0,1,0,0,0,1|1,0,1]=4 6788 B10R0.96 CC(=O)OCC(=O)CC(C)C 1458a_100000183556_100000210624 [0,1,0,0,0,1|1,0,1]=4 6789 B10R0.96 CC(=O)OCC(=O)NC(C)C 1626a_100138425928_100000183556 [0,1,0,0,0,1|1,0,1]=4 6790 B10R0.96 CC(=O)OCC(=O)NC(C)C 240690a_100138425928_100000183556 [0,1,0,0,0,1|1,0,1]=4 6791 B10R0.96 CC(=O)OCC(=O)NC(C)C 527a_100138425928_100000183556 [0,1,0,0,0,1|1,0,1]=4 6792 B10R0.96 CC(=O)SCC(=O)CC(C)C 1458a_100000049016_100000210624 [0,1,0,0,0,1|1,0,1]=4 6793 B10R0.96 CC(=O)SCC(=O)NC(C)C 11a_100138425928_100000049016 [0,1,0,0,0,1|1,0,1]=4 6794 B10R0.96 CC(=O)SCC(=O)NC(C)C 1626a_100138425928_100000049016 [0,1,0,0,0,1|1,0,1]=4 6795 B10R0.96 CC(=O)SCC(=O)NC(C)C 240690a_100138425928_100000049016 [0,1,0,0,0,1|1,0,1]=4 6796 B10R0.96 CC(C)C=CC(=O)CC(C)C 1458a_100016268746_100000210624 [0,1,0,0,0,1|0,0,2]=4 6797 B10R0.96 CC(C)C=CC(=O)NC(C)C 11a_100138425928_100016268746 [0,1,0,0,0,1|0,0,2]=4 6798 B10R0.96 CC(C)C=CC(=O)NC(C)C 1626a_100138425928_100016268746 [0,1,0,0,0,1|0,0,2]=4 6799 B10R0.96 CC(C)C=CC(=O)NC(C)C 240690a_100138425928_100016268746 [0,1,0,0,0,1|0,0,2]=4 6800 B10R0.96 CC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000210624 [0,1,0,0,0,1|1,0,1]=4 6801 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,1,0,0,0,1|0,0,0]=2 6802 B10R0.96 CC(C)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210624 [0,1,0,0,0,1|2,0,0]=4 6803 B10R0.96 CC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000210624 [0,1,0,0,0,1|1,0,0]=3 6804 B10R0.96 CC(C)CC(=O)COC(C)C 1458a_100000745533_100000210624 [0,1,0,0,0,1|1,0,0]=3 6805 B10R0.96 CC(C)CC(=O)COC(F)F 1458a_200000719455_100000210624 [0,1,0,0,0,1|2,0,0]=4 6806 B10R0.96 CC(C)CC(=O)CSC(C)C 1458a_100000241585_100000210624 [0,1,0,0,0,1|1,0,0]=3 6807 B10R0.96 CC(C)CC(=O)CSC(F)F 1458a_114828291038_100000210624 [0,1,0,0,0,1|2,0,0]=4 6808 B10R0.96 CC(C)CC(=O)NCC(=O)[13CH3] 1458a_100000194594_200025704644 [0,1,0,0,0,1|1,0,1]=4 6809 B10R0.96 CC(C)CC(=O)NCC(C)O 11a_100000210904_100000210554 [0,1,0,0,0,1|1,0,0]=3 6810 B10R0.96 CC(C)CC(=O)NCC(C)O 240690a_100000210904_100000210554 [0,1,0,0,0,1|1,0,0]=3 6811 B10R0.96 CC(C)CC(=O)NCC(C)O 527a_100000210904_100000210554 [0,1,0,0,0,1|1,0,0]=3 6812 B10R0.96 CC(C)CC(=O)NCC(F)F 11a_100000765723_100000210554 [0,1,0,0,0,1|2,0,0]=4 6813 B10R0.96 CC(C)CC(=O)NCC(F)F 1626a_100000765723_100000210554 [0,1,0,0,0,1|2,0,0]=4 6814 B10R0.96 CC(C)CC(=O)NCC(F)F 240690a_100000765723_100000210554 [0,1,0,0,0,1|2,0,0]=4 6815 B10R0.96 CC(C)CC(=O)NCC(F)F 527a_100000765723_100000210554 [0,1,0,0,0,1|2,0,0]=4 6816 B10R0.96 CC(C)CC(=O)NNC(C)C 22a_100000741168_100000210554 [0,1,0,0,0,1|2,0,0]=4 6817 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,1,0,0,0,1|0,0,0]=2 6818 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,1,0,0,0,1|0,0,0]=2 6819 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,1,0,0,0,1|1,0,0]=3 6820 B10R0.96 CC(C)CCC(=O)CC(F)F 1458a_100000181311_100011934356 [0,1,0,0,0,1|2,0,0]=4 6821 B10R0.96 CC(C)CCC(=O)CN(C)C 1458a_100000750896_100000210312 [0,1,0,0,0,1|1,0,0]=3 6822 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,1,0,0,0,1|1,0,0]=3 6823 B10R0.96 CC(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000210312 [0,1,0,0,0,1|1,0,0]=3 6824 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [0,1,0,0,0,1|0,0,0]=2 6825 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [0,1,0,0,0,1|0,0,0]=2 6826 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [0,1,0,0,0,1|0,0,0]=2 6827 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [0,1,0,0,0,1|0,0,0]=2 6828 B10R0.96 CC(C)CCC(C)NC(C)C 2230a_100138410893_100000210206 [0,1,0,0,0,1|1,0,1]=4 6829 B10R0.96 CC(C)CCC(C)NC(C)C 2230a_100138425928_100011261404 [0,1,0,0,0,1|1,0,1]=4 6830 B10R0.96 CC(C)CCC(C)NC(C)C 34a_100138425928_100011261404 [0,1,0,0,0,1|1,0,1]=4 6831 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100000212225_100011261404 [0,1,0,0,0,1|1,0,1]=4 6832 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100011215350_100000210206 [0,1,0,0,0,1|1,0,1]=4 6833 B10R0.96 CC(C)CCC(C)OC(C)C 7a_100011215350_100000210206 [0,1,0,0,0,1|1,0,1]=4 6834 B10R0.96 CC(C)CCC(C)SC(C)C 62a_100000210206_100011261404 [0,1,0,0,0,1|1,0,1]=4 6835 B10R0.96 CC(C)CCC(C)SC(C)C 62a_100011261404_100000210206 [0,1,0,0,0,1|1,0,1]=4 6836 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000742789_100000210760 [0,1,0,0,0,1|2,0,0]=4 6837 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000747067_100000210312 [0,1,0,0,0,1|2,0,0]=4 6838 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000742789_100000210624 [0,1,0,0,0,1|2,0,0]=4 6839 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000747067_100000210312 [0,1,0,0,0,1|2,0,0]=4 6840 B10R0.96 CC(C)CCN(C)CC(C)C 270004a_100000742789_100000210432 [0,1,0,0,0,1|2,0,0]=4 6841 B10R0.96 CC(C)CN(C)CCC(C)O 2230a_100000747067_100012276601 [0,1,0,0,0,1|2,0,0]=4 6842 B10R0.96 CC(C)CN(C)CCC(C)O 269982a_100000747067_100012276601 [0,1,0,0,0,1|2,0,0]=4 6843 B10R0.96 CC(C)CNC(=O)CC(C)C 11a_100000210953_100000210554 [0,1,0,0,0,1|1,0,0]=3 6844 B10R0.96 CC(C)CNC(=O)CC(C)C 1626a_100000210953_100000210554 [0,1,0,0,0,1|1,0,0]=3 6845 B10R0.96 CC(C)CNC(=O)CC(C)C 240690a_100000210953_100000210554 [0,1,0,0,0,1|1,0,0]=3 6846 B10R0.96 CC(C)CNC(=O)CC(C)C 527a_100000210953_100000210554 [0,1,0,0,0,1|1,0,0]=3 6847 B10R0.96 CC(C)CNC(=O)CN(C)C 11a_100000210953_100000750896 [0,1,0,0,0,1|2,0,0]=4 6848 B10R0.96 CC(C)CNC(=O)CN(C)C 2230a_100102631434_100000183291 [0,1,0,0,0,1|2,0,0]=4 6849 B10R0.96 CC(C)CNC(=O)CN(C)C 240690a_100000210953_100000750896 [0,1,0,0,0,1|2,0,0]=4 6850 B10R0.96 CC(C)CNC(=O)CN(C)C 269982a_100102631434_100000183291 [0,1,0,0,0,1|2,0,0]=4 6851 B10R0.96 CC(C)CNC(=O)CN(C)C 527a_100000210953_100000750896 [0,1,0,0,0,1|2,0,0]=4 6852 B10R0.96 CC(C)CNC(=O)C[C@@H](C)O 240690a_100000210953_100011933948 [0,1,0,0,0,1|2,0,0]=4 6853 B10R0.96 CC(C)CNC(=O)C[S+](C)C 11a_100000210953_200159257847 [0,1,0,0,0,1|2,0,0]=4 6854 B10R0.96 CC(C)CNC(=O)C[S+](C)C 1626a_100000210953_200159257847 [0,1,0,0,0,1|2,0,0]=4 6855 B10R0.96 CC(C)CNC(=O)C[S+](C)C 240690a_100000210953_200159257847 [0,1,0,0,0,1|2,0,0]=4 6856 B10R0.96 CC(C)CNC(=O)C[S+](C)C 527a_100000210953_200159257847 [0,1,0,0,0,1|2,0,0]=4 6857 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100000210953_100138425928 [0,1,0,0,0,1|1,0,0]=3 6858 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100138425928_100000210953 [0,1,0,0,0,1|1,0,0]=3 6859 B10R0.96 CC(C)CNC(=O)NC(C)C 273464a_100138425928_100000210953 [0,1,0,0,0,1|1,0,0]=3 6860 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100000210953_100138425928 [0,1,0,0,0,1|1,0,0]=3 6861 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100138425928_100000210953 [0,1,0,0,0,1|1,0,0]=3 6862 B10R0.96 CC(C)NC(=O)CCC(=O)N 240690a_100138425928_100011215257 [0,1,0,0,0,1|1,0,1]=4 6863 B10R0.96 CC(C)NC(=O)CCC(=O)N 527a_100138425928_100011215257 [0,1,0,0,0,1|1,0,1]=4 6864 B10R0.96 CC(C)NC(=O)CCN(C)C 11a_100138425928_100000689311 [0,1,0,0,0,1|1,0,0]=3 6865 B10R0.96 CC(C)NC(=O)CCN(C)C 2230a_100102631434_100000737564 [0,1,0,0,0,1|1,0,0]=3 6866 B10R0.96 CC(C)NC(=O)CCN(C)C 240690a_100138425928_100000689311 [0,1,0,0,0,1|1,0,0]=3 6867 B10R0.96 CC(C)NC(=O)CCN(C)C 269982a_100102631434_100000737564 [0,1,0,0,0,1|1,0,0]=3 6868 B10R0.96 CC(C)NC(=O)CCN(C)C 527a_100138425928_100000689311 [0,1,0,0,0,1|1,0,0]=3 6869 B10R0.96 CC(C)NC(=O)CC[N+](=O)[O-] 11a_100138425928_200000064761 [0,1,0,0,0,1|2,0,0]=4 6870 B10R0.96 CC(C)NC(=O)CC[N+](=O)[O-] 1626a_100138425928_200000064761 [0,1,0,0,0,1|2,0,0]=4 6871 B10R0.96 CC(C)NC(=O)CC[N+](=O)[O-] 240690a_100138425928_200000064761 [0,1,0,0,0,1|2,0,0]=4 6872 B10R0.96 CC(C)NC(=O)CC[S+](C)C 11a_100138425928_100009452791 [0,1,0,0,0,1|1,0,0]=3 6873 B10R0.96 CC(C)NC(=O)CC[S+](C)C 1626a_100138425928_100009452791 [0,1,0,0,0,1|1,0,0]=3 6874 B10R0.96 CC(C)NC(=O)CC[S+](C)C 240690a_100138425928_100009452791 [0,1,0,0,0,1|1,0,0]=3 6875 B10R0.96 CC(C)NC(=O)COC(C)C 11a_100138425928_100000745533 [0,1,0,0,0,1|1,0,0]=3 6876 B10R0.96 CC(C)NC(=O)COC(C)C 1626a_100138425928_100000745533 [0,1,0,0,0,1|1,0,0]=3 6877 B10R0.96 CC(C)NC(=O)COC(C)C 240690a_100138425928_100000745533 [0,1,0,0,0,1|1,0,0]=3 6878 B10R0.96 CC(C)NC(=O)COC(C)C 34a_100000212225_100000183996 [0,1,0,0,0,1|1,0,0]=3 6879 B10R0.96 CC(C)NC(=O)COC(C)C 527a_100138425928_100000745533 [0,1,0,0,0,1|1,0,0]=3 6880 B10R0.96 CC(C)NC(=O)COC(F)F 11a_100138425928_200000719455 [0,1,0,0,0,1|2,0,0]=4 6881 B10R0.96 CC(C)NC(=O)COC(F)F 1626a_100138425928_200000719455 [0,1,0,0,0,1|2,0,0]=4 6882 B10R0.96 CC(C)NC(=O)COC(F)F 240690a_100138425928_200000719455 [0,1,0,0,0,1|2,0,0]=4 6883 B10R0.96 CC(C)NC(=O)COC(F)F 527a_100138425928_200000719455 [0,1,0,0,0,1|2,0,0]=4 6884 B10R0.96 CC(C)NC(=O)CSC(C)C 11a_100138425928_100000241585 [0,1,0,0,0,1|1,0,0]=3 6885 B10R0.96 CC(C)NC(=O)CSC(C)C 1626a_100138425928_100000241585 [0,1,0,0,0,1|1,0,0]=3 6886 B10R0.96 CC(C)NC(=O)CSC(C)C 240690a_100138425928_100000241585 [0,1,0,0,0,1|1,0,0]=3 6887 B10R0.96 CC(C)NC(=O)CSC(C)C 527a_100138425928_100000241585 [0,1,0,0,0,1|1,0,0]=3 6888 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000183996_100000210206 [0,1,0,0,0,1|1,0,0]=3 6889 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000210206_100000183996 [0,1,0,0,0,1|1,0,0]=3 6890 B10R0.96 CC(C)NC(=O)CSC(F)F 11a_100138425928_114828291038 [0,1,0,0,0,1|2,0,0]=4 6891 B10R0.96 CC(C)NC(=O)CSC(F)F 1626a_100138425928_114828291038 [0,1,0,0,0,1|2,0,0]=4 6892 B10R0.96 CC(C)NC(=O)CSC(F)F 240690a_100138425928_114828291038 [0,1,0,0,0,1|2,0,0]=4 6893 B10R0.96 CC(C)NC(=O)CSC(F)F 527a_100138425928_114828291038 [0,1,0,0,0,1|2,0,0]=4 6894 B10R0.96 CC(C)NC(=O)NCC(F)F 2708a_100138425928_100000765723 [0,1,0,0,0,1|2,0,0]=4 6895 B10R0.96 CC(C)NC(=O)NCC(F)F 273464a_100138425928_100000765723 [0,1,0,0,0,1|2,0,0]=4 6896 B10R0.96 CC(C)NC(=O)NCC(F)F 512a_100000765723_100138425928 [0,1,0,0,0,1|2,0,0]=4 6897 B10R0.96 CC(C)NC(=O)NCC(F)F 512a_100138425928_100000765723 [0,1,0,0,0,1|2,0,0]=4 6898 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100000168517_100000210206 [0,1,0,0,0,1|1,0,0]=3 6899 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100138425928_100000183996 [0,1,0,0,0,1|1,0,0]=3 6900 B10R0.96 CC(C)NCC(=O)NC(C)C 34a_100138425928_100000183996 [0,1,0,0,0,1|1,0,0]=3 6901 B10R0.96 CC(C)NCC(=O)OC(C)C 2230a_100138425928_100011215430 [0,1,0,0,0,1|1,0,0]=3 6902 B10R0.96 CC(C)NCC(=O)OC(C)C 34a_100138425928_100011215430 [0,1,0,0,0,1|1,0,0]=3 6903 B10R0.96 CC(C)NNC(=O)NC(C)C 273464a_100138425928_100000741168 [0,1,0,0,0,1|2,0,0]=4 6904 B10R0.96 CC(C)NNC(=O)NC(C)C 512a_100000741168_100138425928 [0,1,0,0,0,1|2,0,0]=4 6905 B10R0.96 CC(C)NNC(=O)NC(C)C 512a_100138425928_100000741168 [0,1,0,0,0,1|2,0,0]=4 6906 B10R0.96 CC(C)OC(=O)CCN(C)C 2230a_100102631434_100000760027 [0,1,0,0,0,1|1,0,0]=3 6907 B10R0.96 CC(C)OC(=O)CCN(C)C 269982a_100102631434_100000760027 [0,1,0,0,0,1|1,0,0]=3 6908 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100000210206_100011215430 [0,1,0,0,0,1|1,0,0]=3 6909 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100011215430_100000210206 [0,1,0,0,0,1|1,0,0]=3 6910 B10R0.96 CC(C)OC(=O)OCN(C)C 269982a_100102631434_100010125566 [0,1,0,0,0,1|2,0,0]=4 6911 B10R0.96 CC(C)OCC(=O)OC(C)C 34a_100000212225_100011215430 [0,1,0,0,0,1|1,0,0]=3 6912 B10R0.96 CC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218427 [0,1,0,0,0,1|2,0,0]=4 6913 B10R0.96 CC(O)CC(=O)COC(C)C 1458a_100000745533_100011218427 [0,1,0,0,0,1|2,0,0]=4 6914 B10R0.96 CC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218427 [0,1,0,0,0,1|2,0,0]=4 6915 B10R0.96 CC(O)CCC(=O)CN(C)C 1458a_100000750896_100012276601 [0,1,0,0,0,1|1,0,0]=3 6916 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,1,0,0,0,1|1,0,0]=3 6917 B10R0.96 CC(O)CCC(=O)C[S+](C)C 1458a_200159257847_100012276601 [0,1,0,0,0,1|1,0,0]=3 6918 B10R0.96 CC(O)CCC(=O)NC(C)C 1626a_100138425928_100000718519 [0,1,0,0,0,1|0,0,0]=2 6919 B10R0.96 CC(O)CNC(=O)CN(C)C 11a_100000210904_100000750896 [0,1,0,0,0,1|2,0,0]=4 6920 B10R0.96 CC(O)CNC(=O)CN(C)C 240690a_100000210904_100000750896 [0,1,0,0,0,1|2,0,0]=4 6921 B10R0.96 CC(O)CNC(=O)CN(C)C 527a_100000210904_100000750896 [0,1,0,0,0,1|2,0,0]=4 6922 B10R0.96 CC(O)CNC(=O)C[C@@H](C)O 240690a_100000210904_100011933948 [0,1,0,0,0,1|2,0,0]=4 6923 B10R0.96 CC(O)CNC(=O)C[S+](C)C 11a_100000210904_200159257847 [0,1,0,0,0,1|2,0,0]=4 6924 B10R0.96 CC(O)CNC(=O)C[S+](C)C 240690a_100000210904_200159257847 [0,1,0,0,0,1|2,0,0]=4 6925 B10R0.96 CC(O)CNC(=O)C[S+](C)C 527a_100000210904_200159257847 [0,1,0,0,0,1|2,0,0]=4 6926 B10R0.96 CC(O)CNC(=O)NC(C)C 2708a_100138425928_100000210904 [0,1,0,0,0,1|1,0,0]=3 6927 B10R0.96 CC(O)CNC(=O)NC(C)C 273464a_100138425928_100000210904 [0,1,0,0,0,1|1,0,0]=3 6928 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100000210904_100138425928 [0,1,0,0,0,1|1,0,0]=3 6929 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100138425928_100000210904 [0,1,0,0,0,1|1,0,0]=3 6930 B10R0.96 CN(C)NC(=O)CCC(=O)[13CH3] 1458a_100011219620_200025704644 [0,1,0,0,0,1|1,0,1]=4 6931 B10R0.122 CC(C)NS(=O)(=O)CCCCl 270084a_100138425928_100000211827 [0,1,0,0,0,1|2,0,0]=4 6932 B10R0.122 CC(C)NS(=O)(=O)CCCF 270084a_100138425928_200000759752 [0,1,0,0,0,1|2,0,0]=4 6933 B10R0.122 CC(C)NS(=O)(=O)CCCF 274078a_100138425928_200000759752 [0,1,0,0,0,1|2,0,0]=4 6934 B10R0.122 CC(C)NS(=O)(=O)CCN[13CH3] 2230a_100000747398_200025704644 [0,1,0,0,0,1|2,0,0]=4 6935 B10R0.122 CC(C)NS(=O)(=O)CCN[13CH3] 34a_100000747398_200025704644 [0,1,0,0,0,1|2,0,0]=4 6936 B10R0.122 CCCCC(C)(C)OC(C)C 7a_100011219641_100000210206 [0,1,0,0,0,1|1,0,1]=4 6937 B10R0.122 CCCCS(=O)(=O)NC(C)C 270084a_100138425928_100000212082 [0,1,0,0,0,1|1,0,0]=3 6938 B10R0.122 CCCCS(=O)(=O)NC(C)C 274078a_100138425928_100000212082 [0,1,0,0,0,1|1,0,0]=3 6939 B10R0.122 CCCNS(=O)(=O)CC(C)C 270084a_100020643023_100000748289 [0,1,0,0,0,1|2,0,0]=4 6940 B10R0.122 CCCNS(=O)(=O)CC(C)C 274078a_100020643023_100000748289 [0,1,0,0,0,1|2,0,0]=4 6941 B10R0.122 CNCCS(=O)(=O)NC(C)C 2230a_100000747398_200000210301 [0,1,0,0,0,1|2,0,0]=4 6942 B10R0.122 CNCCS(=O)(=O)NC(C)C 34a_100000747398_200000210301 [0,1,0,0,0,1|2,0,0]=4 6943 B10R0.122 COCCS(=O)(=O)NC(C)C 270084a_100138425928_100000745348 [0,1,0,0,0,1|2,0,0]=4 6944 B10R0.122 COCCS(=O)(=O)NC(C)C 274078a_100138425928_100000745348 [0,1,0,0,0,1|2,0,0]=4 6945 B10R0.5 C#CCCCC(=O)C(C)(C)C 1458a_106744555173_100000731252 [0,2,0,0,0,0|0,0,1]=3 6946 B10R0.5 C#CCCCC(=O)C(C)(C)F 1458a_100000765255_100000731252 [0,2,0,0,0,0|0,0,1]=3 6947 B10R0.5 C#CCCCC(=O)C(C)(C)O 1458a_100000242741_100000731252 [0,2,0,0,0,0|0,0,1]=3 6948 B10R0.5 C#CCCNC(=O)C(C)(C)C 11a_100000755551_106744555173 [0,2,0,0,0,0|0,0,2]=4 6949 B10R0.5 C#CCCNC(=O)C(C)(C)C 1626a_100000755551_106744555173 [0,2,0,0,0,0|0,0,2]=4 6950 B10R0.5 C#CCCNC(=O)C(C)(C)C 240690a_100000755551_106744555173 [0,2,0,0,0,0|0,0,2]=4 6951 B10R0.5 C#CCCNC(=O)C(C)(C)C 527a_100000755551_106744555173 [0,2,0,0,0,0|0,0,2]=4 6952 B10R0.5 C#CCCNC(=O)C(C)(C)F 11a_100000755551_100000765255 [0,2,0,0,0,0|0,0,2]=4 6953 B10R0.5 C#CCCNC(=O)C(C)(C)F 1626a_100000755551_100000765255 [0,2,0,0,0,0|0,0,2]=4 6954 B10R0.5 C#CCCNC(=O)C(C)(C)F 240690a_100000755551_100000765255 [0,2,0,0,0,0|0,0,2]=4 6955 B10R0.5 C#CCCNC(=O)C(C)(C)F 527a_100000755551_100000765255 [0,2,0,0,0,0|0,0,2]=4 6956 B10R0.5 C#CCCNC(=O)C(C)(C)O 240690a_100000755551_100000242741 [0,2,0,0,0,0|0,0,2]=4 6957 B10R0.5 C#CCNCC(=O)C(C)(C)C 34a_100000212058_100000229897 [0,2,0,0,0,0|0,0,2]=4 6958 B10R0.5 C#CCOCC(=O)C(C)(C)C 34a_100000210247_100000229897 [0,2,0,0,0,0|0,0,2]=4 6959 B10R0.5 C#CCOCC(=O)C(C)(C)C 34a_200011592769_100000184674 [0,2,0,0,0,0|0,0,2]=4 6960 B10R0.5 C#CCOCC(=O)C(C)(C)C 7a_200011592769_100000038162 [0,2,0,0,0,0|0,0,2]=4 6961 B10R0.5 C#CCSCC(=O)C(C)(C)C 62a_100000038162_100000210923 [0,2,0,0,0,0|0,0,2]=4 6962 B10R0.5 C=CCCCC(=O)C(C)(C)C 1458a_106744555173_100000757094 [0,2,0,0,0,0|0,0,1]=3 6963 B10R0.5 C=CCCCC(=O)C(C)(C)F 1458a_100000765255_100000757094 [0,2,0,0,0,0|0,0,1]=3 6964 B10R0.5 C=CCCCC(=O)C(C)(C)O 1458a_100000242741_100000757094 [0,2,0,0,0,0|0,0,1]=3 6965 B10R0.5 C=CCCNC(=O)C(C)(C)C 11a_100015191253_106744555173 [0,2,0,0,0,0|0,0,2]=4 6966 B10R0.5 C=CCCNC(=O)C(C)(C)C 1626a_100015191253_106744555173 [0,2,0,0,0,0|0,0,2]=4 6967 B10R0.5 C=CCCNC(=O)C(C)(C)C 240690a_100015191253_106744555173 [0,2,0,0,0,0|0,0,2]=4 6968 B10R0.5 C=CCCNC(=O)C(C)(C)C 527a_100015191253_106744555173 [0,2,0,0,0,0|0,0,2]=4 6969 B10R0.5 C=CCCNC(=O)C(C)(C)F 11a_100015191253_100000765255 [0,2,0,0,0,0|0,0,2]=4 6970 B10R0.5 C=CCCNC(=O)C(C)(C)F 1626a_100015191253_100000765255 [0,2,0,0,0,0|0,0,2]=4 6971 B10R0.5 C=CCCNC(=O)C(C)(C)F 240690a_100015191253_100000765255 [0,2,0,0,0,0|0,0,2]=4 6972 B10R0.5 C=CCCNC(=O)C(C)(C)F 527a_100015191253_100000765255 [0,2,0,0,0,0|0,0,2]=4 6973 B10R0.5 C=CCCNC(=O)C(C)(C)O 240690a_100015191253_100000242741 [0,2,0,0,0,0|0,0,2]=4 6974 B10R0.5 C=CCOCC(=O)C(C)(C)C 34a_200000210373_100000229897 [0,2,0,0,0,0|0,0,2]=4 6975 B10R0.5 C=CCOCC(=O)C(C)(C)C 34a_200011592769_100015514636 [0,2,0,0,0,0|0,0,2]=4 6976 B10R0.5 C=CCOCC(=O)C(C)(C)C 7a_200011592769_100015514636 [0,2,0,0,0,0|0,0,2]=4 6977 B10R0.5 C=CCSCC(=O)C(C)(C)C 62a_100000210623_100000210923 [0,2,0,0,0,0|0,0,2]=4 6978 B10R0.5 C=CCSCC(=O)C(C)(C)C 62a_100000210923_100000210623 [0,2,0,0,0,0|0,0,2]=4 6979 B10R0.5 C=COCCC(=O)C(C)(C)C 1458a_106744555173_100000039644 [0,2,0,0,0,0|0,0,2]=4 6980 B10R0.5 C=COCCC(=O)C(C)(C)F 1458a_100000765255_100000039644 [0,2,0,0,0,0|0,0,2]=4 6981 B10R0.5 C=COCCC(=O)C(C)(C)O 1458a_100000242741_100000039644 [0,2,0,0,0,0|0,0,2]=4 6982 B10R0.5 CC#CCNC(=O)C(C)(C)C 11a_100000685387_106744555173 [0,2,0,0,0,0|0,0,2]=4 6983 B10R0.5 CC#CCNC(=O)C(C)(C)C 1626a_100000685387_106744555173 [0,2,0,0,0,0|0,0,2]=4 6984 B10R0.5 CC#CCNC(=O)C(C)(C)C 527a_100000685387_106744555173 [0,2,0,0,0,0|0,0,2]=4 6985 B10R0.5 CC#CCNC(=O)C(C)(C)F 11a_100000685387_100000765255 [0,2,0,0,0,0|0,0,2]=4 6986 B10R0.5 CC#CCNC(=O)C(C)(C)F 1626a_100000685387_100000765255 [0,2,0,0,0,0|0,0,2]=4 6987 B10R0.5 CC#CCNC(=O)C(C)(C)F 527a_100000685387_100000765255 [0,2,0,0,0,0|0,0,2]=4 6988 B10R0.5 CC(C)(Br)C(=O)OCCO[13CH3] 34a_100009817195_200025704644 [0,2,0,0,0,0|1,0,0]=3 6989 B10R0.5 CC(C)(Br)C(=O)OCCO[13CH3] 7a_100009817195_200025704644 [0,2,0,0,0,0|1,0,0]=3 6990 B10R0.5 CC(C)(C)C(=O)CC#CCO 1458a_106744555173_200000047223 [0,2,0,0,0,0|0,0,2]=4 6991 B10R0.5 CC(C)(C)C(=O)CCCC#N 1458a_106744555173_100000211468 [0,2,0,0,0,0|0,0,1]=3 6992 B10R0.5 CC(C)(C)C(=O)CCCCF 1458a_106744555173_100000729493 [0,2,0,0,0,0|0,0,0]=2 6993 B10R0.5 CC(C)(C)C(=O)CCCCO 1458a_106744555173_100000210776 [0,2,0,0,0,0|0,0,0]=2 6994 B10R0.5 CC(C)(C)C(=O)CNCCF 34a_100000724931_100000229897 [0,2,0,0,0,0|1,0,0]=3 6995 B10R0.5 CC(C)(C)C(=O)CNCCO 34a_100016990907_100000229897 [0,2,0,0,0,0|1,0,0]=3 6996 B10R0.5 CC(C)(C)C(=O)COCC#N 7a_200011592769_100011215382 [0,2,0,0,0,0|1,0,1]=4 6997 B10R0.5 CC(C)(C)C(=O)COCC=O 34a_200011592769_200009817547 [0,2,0,0,0,0|1,0,1]=4 6998 B10R0.5 CC(C)(C)C(=O)COCC=O 7a_200011592769_200015260668 [0,2,0,0,0,0|1,0,1]=4 6999 B10R0.5 CC(C)(C)C(=O)COCCBr 34a_100000211926_100000229897 [0,2,0,0,0,0|1,0,0]=3 7000 B10R0.5 CC(C)(C)C(=O)COCCF 34a_200011592769_100011217306 [0,2,0,0,0,0|1,0,0]=3 7001 B10R0.5 CC(C)(C)C(=O)COCCF 7a_200011592769_100011217306 [0,2,0,0,0,0|1,0,0]=3 7002 B10R0.5 CC(C)(C)C(=O)COCCN 34a_100000210304_100000229897 [0,2,0,0,0,0|1,0,0]=3 7003 B10R0.5 CC(C)(C)C(=O)COCCO 34a_200011592769_100000211926 [0,2,0,0,0,0|1,0,0]=3 7004 B10R0.5 CC(C)(C)C(=O)COCCO 7a_200011592769_100000211926 [0,2,0,0,0,0|1,0,0]=3 7005 B10R0.5 CC(C)(C)C(=O)CSCC#N 62a_100000210923_100011215382 [0,2,0,0,0,0|1,0,1]=4 7006 B10R0.5 CC(C)(C)C(=O)CSCC#N 62a_100011215382_100000210923 [0,2,0,0,0,0|1,0,1]=4 7007 B10R0.5 CC(C)(C)C(=O)CSCC=O 62a_100000210923_200015260668 [0,2,0,0,0,0|1,0,1]=4 7008 B10R0.5 CC(C)(C)C(=O)CSCC=O 62a_200015260668_100000210923 [0,2,0,0,0,0|1,0,1]=4 7009 B10R0.5 CC(C)(C)C(=O)CSCCF 62a_100000210923_100011217306 [0,2,0,0,0,0|1,0,0]=3 7010 B10R0.5 CC(C)(C)C(=O)CSCCF 62a_100011217306_100000210923 [0,2,0,0,0,0|1,0,0]=3 7011 B10R0.5 CC(C)(C)C(=O)CSCCO 62a_100000210923_100000211926 [0,2,0,0,0,0|1,0,0]=3 7012 B10R0.5 CC(C)(C)C(=O)CSCCO 62a_100000211926_100000210923 [0,2,0,0,0,0|1,0,0]=3 7013 B10R0.5 CC(C)(C)C(=O)NCCC#N 11a_100000720768_106744555173 [0,2,0,0,0,0|1,0,1]=4 7014 B10R0.5 CC(C)(C)C(=O)NCCC#N 1626a_100000720768_106744555173 [0,2,0,0,0,0|1,0,1]=4 7015 B10R0.5 CC(C)(C)C(=O)NCCC#N 240690a_100000720768_106744555173 [0,2,0,0,0,0|1,0,1]=4 7016 B10R0.5 CC(C)(C)C(=O)NCCC#N 527a_100000720768_106744555173 [0,2,0,0,0,0|1,0,1]=4 7017 B10R0.5 CC(C)(C)C(=O)NCCCF 11a_100015189416_106744555173 [0,2,0,0,0,0|1,0,0]=3 7018 B10R0.5 CC(C)(C)C(=O)NCCCF 1626a_100015189416_106744555173 [0,2,0,0,0,0|1,0,0]=3 7019 B10R0.5 CC(C)(C)C(=O)NCCCF 240690a_100015189416_106744555173 [0,2,0,0,0,0|1,0,0]=3 7020 B10R0.5 CC(C)(C)C(=O)NCCCF 527a_100015189416_106744555173 [0,2,0,0,0,0|1,0,0]=3 7021 B10R0.5 CC(C)(C)C(=O)NCCCO 240690a_100000182051_106744555173 [0,2,0,0,0,0|1,0,0]=3 7022 B10R0.5 CC(C)(C)C(=O)NCCCO 527a_100000182051_106744555173 [0,2,0,0,0,0|1,0,0]=3 7023 B10R0.5 CC(C)(C)C(=O)NNCCO 22a_100000210001_106744555173 [0,2,0,0,0,0|2,0,0]=4 7024 B10R0.5 CC(C)(C)C(=O)OCSCF 62a_100000032063_100015361967 [0,2,0,0,0,0|2,0,0]=4 7025 B10R0.5 CC(C)(C)C(=O)OCSCF 62a_100015361967_100000032063 [0,2,0,0,0,0|2,0,0]=4 7026 B10R0.5 CC(C)(F)C(=O)CC#CCO 1458a_100000765255_200000047223 [0,2,0,0,0,0|0,0,2]=4 7027 B10R0.5 CC(C)(F)C(=O)CCCC#N 1458a_100000765255_100000211468 [0,2,0,0,0,0|0,0,1]=3 7028 B10R0.5 CC(C)(F)C(=O)CCCCF 1458a_100000765255_100000729493 [0,2,0,0,0,0|0,0,0]=2 7029 B10R0.5 CC(C)(F)C(=O)CCCCO 1458a_100000765255_100000210776 [0,2,0,0,0,0|0,0,0]=2 7030 B10R0.5 CC(C)(F)C(=O)NCCC#N 11a_100000720768_100000765255 [0,2,0,0,0,0|1,0,1]=4 7031 B10R0.5 CC(C)(F)C(=O)NCCC#N 1626a_100000720768_100000765255 [0,2,0,0,0,0|1,0,1]=4 7032 B10R0.5 CC(C)(F)C(=O)NCCC#N 240690a_100000720768_100000765255 [0,2,0,0,0,0|1,0,1]=4 7033 B10R0.5 CC(C)(F)C(=O)NCCC#N 527a_100000720768_100000765255 [0,2,0,0,0,0|1,0,1]=4 7034 B10R0.5 CC(C)(F)C(=O)NCCCF 11a_100015189416_100000765255 [0,2,0,0,0,0|1,0,0]=3 7035 B10R0.5 CC(C)(F)C(=O)NCCCF 1626a_100015189416_100000765255 [0,2,0,0,0,0|1,0,0]=3 7036 B10R0.5 CC(C)(F)C(=O)NCCCF 240690a_100015189416_100000765255 [0,2,0,0,0,0|1,0,0]=3 7037 B10R0.5 CC(C)(F)C(=O)NCCCF 527a_100015189416_100000765255 [0,2,0,0,0,0|1,0,0]=3 7038 B10R0.5 CC(C)(F)C(=O)NCCCO 240690a_100000182051_100000765255 [0,2,0,0,0,0|1,0,0]=3 7039 B10R0.5 CC(C)(F)C(=O)NCCCO 527a_100000182051_100000765255 [0,2,0,0,0,0|1,0,0]=3 7040 B10R0.5 CC(C)(F)C(=O)NNCCO 22a_100000210001_100000765255 [0,2,0,0,0,0|2,0,0]=4 7041 B10R0.5 CC(C)(O)C(=O)CC#CCO 1458a_100000242741_200000047223 [0,2,0,0,0,0|0,0,2]=4 7042 B10R0.5 CC(C)(O)C(=O)CCCC#N 1458a_100000242741_100000211468 [0,2,0,0,0,0|0,0,1]=3 7043 B10R0.5 CC(C)(O)C(=O)CCCCF 1458a_100000242741_100000729493 [0,2,0,0,0,0|0,0,0]=2 7044 B10R0.5 CC(C)(O)C(=O)CCCCO 1458a_100000242741_100000210776 [0,2,0,0,0,0|0,0,0]=2 7045 B10R0.5 CC(C)(O)C(=O)NCCC#N 240690a_100000720768_100000242741 [0,2,0,0,0,0|1,0,1]=4 7046 B10R0.5 CC(C)(O)C(=O)NCCCF 240690a_100015189416_100000242741 [0,2,0,0,0,0|1,0,0]=3 7047 B10R0.5 CC(C)(O)C(=O)NCCCO 240690a_100000182051_100000242741 [0,2,0,0,0,0|1,0,0]=3 7048 B10R0.5 CC(C)(O)C(=O)NNCCO 22a_100000210001_100000242741 [0,2,0,0,0,0|2,0,0]=4 7049 B10R0.5 CC(F)(F)C(=O)NCCCF 11a_100015189416_100000042251 [0,2,0,0,0,0|2,0,0]=4 7050 B10R0.5 CC(F)(F)C(=O)NCCCF 1626a_100015189416_100000042251 [0,2,0,0,0,0|2,0,0]=4 7051 B10R0.5 CC(F)(F)C(=O)NCCCF 240690a_100015189416_100000042251 [0,2,0,0,0,0|2,0,0]=4 7052 B10R0.5 CC(F)(F)C(=O)NCCCF 527a_100015189416_100000042251 [0,2,0,0,0,0|2,0,0]=4 7053 B10R0.5 CC(F)(F)C(=O)NCCCO 240690a_100000182051_100000042251 [0,2,0,0,0,0|2,0,0]=4 7054 B10R0.5 CC(F)(F)C(=O)NCCCO 527a_100000182051_100000042251 [0,2,0,0,0,0|2,0,0]=4 7055 B10R0.5 CC/C=C\CC(=O)C(C)(C)C 1458a_106744555173_100103147603 [0,2,0,0,0,0|0,0,1]=3 7056 B10R0.5 CC/C=C\CC(=O)C(C)(C)F 1458a_100000765255_100103147603 [0,2,0,0,0,0|0,0,1]=3 7057 B10R0.5 CC/C=C\CC(=O)C(C)(C)O 1458a_100000242741_100103147603 [0,2,0,0,0,0|0,0,1]=3 7058 B10R0.5 CCC#CCC(=O)C(C)(C)C 1458a_106744555173_100009813939 [0,2,0,0,0,0|0,0,1]=3 7059 B10R0.5 CCC#CCC(=O)C(C)(C)F 1458a_100000765255_100009813939 [0,2,0,0,0,0|0,0,1]=3 7060 B10R0.5 CCC#CCC(=O)C(C)(C)O 1458a_100000242741_100009813939 [0,2,0,0,0,0|0,0,1]=3 7061 B10R0.5 CCC=NNC(=O)C(C)(C)C 4a_100000189767_100000210100 [0,2,0,0,0,0|1,0,1]=4 7062 B10R0.5 CCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210326 [0,2,0,0,0,0|0,0,0]=2 7063 B10R0.5 CCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210326 [0,2,0,0,0,0|0,0,0]=2 7064 B10R0.5 CCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210326 [0,2,0,0,0,0|0,0,0]=2 7065 B10R0.5 CCCCCC(=O)C(F)(F)F 1458a_100000212188_200000243211 [0,2,0,0,0,0|2,0,0]=4 7066 B10R0.5 CCCCCC(=O)C(F)(F)F 1458a_100015355933_100000210326 [0,2,0,0,0,0|2,0,0]=4 7067 B10R0.5 CCCCCN(C)C(C)(C)C 269982a_100000223495_100000210625 [0,2,0,0,0,0|2,0,0]=4 7068 B10R0.5 CCCCCN(C)C(C)(C)C 269982a_100011215553_100000210215 [0,2,0,0,0,0|2,0,0]=4 7069 B10R0.5 CCCCNC(=O)C(C)(C)C 11a_100000102301_106744555173 [0,2,0,0,0,0|0,0,0]=2 7070 B10R0.5 CCCCNC(=O)C(C)(C)C 1626a_100000102301_106744555173 [0,2,0,0,0,0|0,0,0]=2 7071 B10R0.5 CCCCNC(=O)C(C)(C)C 240690a_100000102301_106744555173 [0,2,0,0,0,0|0,0,0]=2 7072 B10R0.5 CCCCNC(=O)C(C)(C)C 527a_100000102301_106744555173 [0,2,0,0,0,0|0,0,0]=2 7073 B10R0.5 CCCCNC(=O)C(C)(C)F 11a_100000102301_100000765255 [0,2,0,0,0,0|0,0,0]=2 7074 B10R0.5 CCCCNC(=O)C(C)(C)F 1626a_100000102301_100000765255 [0,2,0,0,0,0|0,0,0]=2 7075 B10R0.5 CCCCNC(=O)C(C)(C)F 240690a_100000102301_100000765255 [0,2,0,0,0,0|0,0,0]=2 7076 B10R0.5 CCCCNC(=O)C(C)(C)F 527a_100000102301_100000765255 [0,2,0,0,0,0|0,0,0]=2 7077 B10R0.5 CCCCNC(=O)C(C)(C)O 240690a_100000102301_100000242741 [0,2,0,0,0,0|0,0,0]=2 7078 B10R0.5 CCCCNC(=O)C(C)(F)F 11a_100000102301_100000042251 [0,2,0,0,0,0|1,0,0]=3 7079 B10R0.5 CCCCNC(=O)C(C)(F)F 1626a_100000102301_100000042251 [0,2,0,0,0,0|1,0,0]=3 7080 B10R0.5 CCCCNC(=O)C(C)(F)F 240690a_100000102301_100000042251 [0,2,0,0,0,0|1,0,0]=3 7081 B10R0.5 CCCCNC(=O)C(C)(F)F 527a_100000102301_100000042251 [0,2,0,0,0,0|1,0,0]=3 7082 B10R0.5 CCCCNC(=O)C(F)(F)F 11a_100000102301_100015355933 [0,2,0,0,0,0|2,0,0]=4 7083 B10R0.5 CCCCNC(=O)C(F)(F)F 1626a_100000102301_100015355933 [0,2,0,0,0,0|2,0,0]=4 7084 B10R0.5 CCCCNC(=O)C(F)(F)F 240690a_100000102301_100015355933 [0,2,0,0,0,0|2,0,0]=4 7085 B10R0.5 CCCCNC(=O)C(F)(F)F 527a_100000102301_100000210220 [0,2,0,0,0,0|2,0,0]=4 7086 B10R0.5 CCCCNC(C)C(C)(C)O 269862a_100000102301_100000747739 [0,2,0,0,0,0|1,0,1]=4 7087 B10R0.5 CCCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210211 [0,2,0,0,0,0|1,0,1]=4 7088 B10R0.5 CCCCN[C@H](C)C(C)(C)C 2230a_100025703359_100000210211 [0,2,0,0,0,0|1,0,1]=4 7089 B10R0.5 CCCNN=C(C)C(C)(C)O 4a_100000740057_100000747739 [0,2,0,0,0,0|2,0,0]=4 7090 B10R0.5 CCCNNC(=O)C(C)(C)C 22a_100000740057_106744555173 [0,2,0,0,0,0|1,0,0]=3 7091 B10R0.5 CCCNNC(=O)C(C)(C)F 22a_100000740057_100000765255 [0,2,0,0,0,0|1,0,0]=3 7092 B10R0.5 CCCNNC(=O)C(C)(C)O 22a_100000740057_100000242741 [0,2,0,0,0,0|1,0,0]=3 7093 B10R0.5 CCCNNC(=O)C(C)(F)F 22a_100000740057_100000042251 [0,2,0,0,0,0|2,0,0]=4 7094 B10R0.5 CCCOCC(=O)C(C)(C)C 34a_100000210258_100000229897 [0,2,0,0,0,0|0,0,0]=2 7095 B10R0.5 CCCOCC(=O)C(C)(C)C 34a_200011592769_100000210303 [0,2,0,0,0,0|0,0,0]=2 7096 B10R0.5 CCCOCC(=O)C(C)(C)C 7a_200011592769_100000210303 [0,2,0,0,0,0|0,0,0]=2 7097 B10R0.5 CCCOCC(=O)C(F)(F)F 1458a_100000745993_200000243211 [0,2,0,0,0,0|2,0,0]=4 7098 B10R0.5 CCCOCC(=O)C(F)(F)F 34a_100000210258_100000002480 [0,2,0,0,0,0|2,0,0]=4 7099 B10R0.5 CCCSCC(=O)C(C)(C)C 62a_100000210303_100000210923 [0,2,0,0,0,0|0,0,0]=2 7100 B10R0.5 CCCSCC(=O)C(C)(C)C 62a_100000210923_100000210303 [0,2,0,0,0,0|0,0,0]=2 7101 B10R0.5 CCCSCC(=O)C(F)(F)F 1458a_100000217233_200000243211 [0,2,0,0,0,0|2,0,0]=4 7102 B10R0.5 CCCSCC(=O)C(F)(F)F 62a_100000002480_100000210303 [0,2,0,0,0,0|2,0,0]=4 7103 B10R0.5 CCCSCC(=O)C(F)(F)F 62a_100000210303_100000002480 [0,2,0,0,0,0|2,0,0]=4 7104 B10R0.5 CCOCCC(=O)C(C)(C)C 1458a_106744555173_100011215890 [0,2,0,0,0,0|0,0,0]=2 7105 B10R0.5 CCOCCC(=O)C(C)(C)F 1458a_100000765255_100011215890 [0,2,0,0,0,0|0,0,0]=2 7106 B10R0.5 CCOCCC(=O)C(C)(C)O 1458a_100000242741_100011215890 [0,2,0,0,0,0|0,0,0]=2 7107 B10R0.5 CCOCCC(=O)C(F)(F)F 1458a_100000749530_200000243211 [0,2,0,0,0,0|2,0,0]=4 7108 B10R0.5 CCOCCC(=O)C(F)(F)F 1458a_100015355933_100011215890 [0,2,0,0,0,0|2,0,0]=4 7109 B10R0.5 CCOCCN(C)C(C)(C)C 269982a_100011215553_100011215890 [0,2,0,0,0,0|2,0,0]=4 7110 B10R0.5 CCSCCC(=O)C(C)(C)C 1458a_106744555173_100000757381 [0,2,0,0,0,0|0,0,0]=2 7111 B10R0.5 CCSCCC(=O)C(C)(C)F 1458a_100000765255_100000757381 [0,2,0,0,0,0|0,0,0]=2 7112 B10R0.5 CCSCCC(=O)C(C)(C)O 1458a_100000242741_100000757381 [0,2,0,0,0,0|0,0,0]=2 7113 B10R0.5 CCSCCC(=O)C(F)(F)F 1458a_100000230768_200000243211 [0,2,0,0,0,0|2,0,0]=4 7114 B10R0.5 CCSCCC(=O)C(F)(F)F 1458a_100015355933_100000757381 [0,2,0,0,0,0|2,0,0]=4 7115 B10R0.5 CCSCCN(C)C(C)(C)C 269982a_100011215553_100000757381 [0,2,0,0,0,0|2,0,0]=4 7116 B10R0.5 CCSCOC(=O)C(C)(C)C 62a_100000032063_100000210202 [0,2,0,0,0,0|1,0,0]=3 7117 B10R0.5 CCSCOC(=O)C(C)(C)C 62a_100000210202_100000032063 [0,2,0,0,0,0|1,0,0]=3 7118 B10R0.5 CN(CCCCF)C(C)(C)C 269982a_100011215553_100000729493 [0,2,0,0,0,0|2,0,0]=4 7119 B10R0.5 CN(CCCCO)C(C)(C)C 269982a_100000717598_100000210625 [0,2,0,0,0,0|2,0,0]=4 7120 B10R0.5 CN(CCCCO)C(C)(C)C 269982a_100011215553_100000210776 [0,2,0,0,0,0|2,0,0]=4 7121 B10R0.5 COCCCC(=O)C(C)(C)C 1458a_106744555173_100000740836 [0,2,0,0,0,0|0,0,0]=2 7122 B10R0.5 COCCCC(=O)C(C)(C)F 1458a_100000765255_100000740836 [0,2,0,0,0,0|0,0,0]=2 7123 B10R0.5 COCCCC(=O)C(C)(C)O 1458a_100000242741_100000740836 [0,2,0,0,0,0|0,0,0]=2 7124 B10R0.5 COCCCC(=O)C(F)(F)F 1458a_100000741012_200000243211 [0,2,0,0,0,0|2,0,0]=4 7125 B10R0.5 COCCCC(=O)C(F)(F)F 1458a_100015355933_100000740836 [0,2,0,0,0,0|2,0,0]=4 7126 B10R0.5 COCCCN(C)C(C)(C)C 269982a_100000224831_100000210625 [0,2,0,0,0,0|2,0,0]=4 7127 B10R0.5 COCCCN(C)C(C)(C)C 269982a_100011215553_100000740836 [0,2,0,0,0,0|2,0,0]=4 7128 B10R0.5 COCCNC(=O)C(C)(C)C 1626a_100000209980_106744555173 [0,2,0,0,0,0|1,0,0]=3 7129 B10R0.5 COCCNC(=O)C(C)(C)C 240690a_100000209980_106744555173 [0,2,0,0,0,0|1,0,0]=3 7130 B10R0.5 COCCNC(=O)C(C)(C)C 527a_100000209980_106744555173 [0,2,0,0,0,0|1,0,0]=3 7131 B10R0.5 COCCNC(=O)C(C)(C)F 1626a_100000209980_100000765255 [0,2,0,0,0,0|1,0,0]=3 7132 B10R0.5 COCCNC(=O)C(C)(C)F 240690a_100000209980_100000765255 [0,2,0,0,0,0|1,0,0]=3 7133 B10R0.5 COCCNC(=O)C(C)(C)F 527a_100000209980_100000765255 [0,2,0,0,0,0|1,0,0]=3 7134 B10R0.5 COCCNC(=O)C(C)(C)O 240690a_100000209980_100000242741 [0,2,0,0,0,0|1,0,0]=3 7135 B10R0.5 COCCNC(=O)C(C)(F)F 1626a_100000209980_100000042251 [0,2,0,0,0,0|2,0,0]=4 7136 B10R0.5 COCCNC(=O)C(C)(F)F 240690a_100000209980_100000042251 [0,2,0,0,0,0|2,0,0]=4 7137 B10R0.5 COCCNC(=O)C(C)(F)F 527a_100000209980_100000042251 [0,2,0,0,0,0|2,0,0]=4 7138 B10R0.5 COCCOC(=O)C(C)(C)Br 34a_100009817195_200000210301 [0,2,0,0,0,0|1,0,0]=3 7139 B10R0.5 COCCOC(=O)C(C)(C)Br 7a_100009817195_200000210301 [0,2,0,0,0,0|1,0,0]=3 7140 B10R0.5 COCSCC(=O)C(C)(C)C 62a_100000210923_100000766300 [0,2,0,0,0,0|1,0,0]=3 7141 B10R0.5 COCSCC(=O)C(C)(C)C 62a_100000766300_100000210923 [0,2,0,0,0,0|1,0,0]=3 7142 B10R0.5 CSCCCC(=O)C(F)(F)F 1458a_100000173376_200000243211 [0,2,0,0,0,0|2,0,0]=4 7143 B10R0.5 CSCCNC(=O)C(C)(C)C 11a_100020590264_106744555173 [0,2,0,0,0,0|1,0,0]=3 7144 B10R0.5 CSCCNC(=O)C(C)(C)C 1626a_100020590264_106744555173 [0,2,0,0,0,0|1,0,0]=3 7145 B10R0.5 CSCCNC(=O)C(C)(C)C 240690a_100020590264_106744555173 [0,2,0,0,0,0|1,0,0]=3 7146 B10R0.5 CSCCNC(=O)C(C)(C)C 527a_100020590264_106744555173 [0,2,0,0,0,0|1,0,0]=3 7147 B10R0.5 CSCCNC(=O)C(C)(C)F 11a_100020590264_100000765255 [0,2,0,0,0,0|1,0,0]=3 7148 B10R0.5 CSCCNC(=O)C(C)(C)F 1626a_100020590264_100000765255 [0,2,0,0,0,0|1,0,0]=3 7149 B10R0.5 CSCCNC(=O)C(C)(C)F 240690a_100020590264_100000765255 [0,2,0,0,0,0|1,0,0]=3 7150 B10R0.5 CSCCNC(=O)C(C)(C)F 527a_100020590264_100000765255 [0,2,0,0,0,0|1,0,0]=3 7151 B10R0.5 CSCCNC(=O)C(C)(C)O 240690a_100020590264_100000242741 [0,2,0,0,0,0|1,0,0]=3 7152 B10R0.5 CSCCNC(=O)C(C)(F)F 11a_100020590264_100000042251 [0,2,0,0,0,0|2,0,0]=4 7153 B10R0.5 CSCCNC(=O)C(C)(F)F 1626a_100020590264_100000042251 [0,2,0,0,0,0|2,0,0]=4 7154 B10R0.5 CSCCNC(=O)C(C)(F)F 240690a_100020590264_100000042251 [0,2,0,0,0,0|2,0,0]=4 7155 B10R0.5 CSCCNC(=O)C(C)(F)F 527a_100020590264_100000042251 [0,2,0,0,0,0|2,0,0]=4 7156 B10R0.5 CSCOCC(=O)C(C)(C)C 34a_200011592769_100011218213 [0,2,0,0,0,0|1,0,0]=3 7157 B10R0.5 CSCSCC(=O)C(C)(C)C 62a_100000210923_100011218213 [0,2,0,0,0,0|1,0,0]=3 7158 B10R0.5 CSCSCC(=O)C(C)(C)C 62a_100011218213_100000210923 [0,2,0,0,0,0|1,0,0]=3 7159 B10R0.5 O=C(CCCCF)C(F)(F)F 1458a_100015355933_100000729493 [0,2,0,0,0,0|2,0,0]=4 7160 B10R0.5 O=C(CCCCO)C(F)(F)F 1458a_100000695505_200000243211 [0,2,0,0,0,0|2,0,0]=4 7161 B10R0.5 O=C(CCCCO)C(F)(F)F 1458a_100015355933_100000210776 [0,2,0,0,0,0|2,0,0]=4 7162 B10R0.5 [2H]C([2H])([2H])C(=O)NCCCC 11a_100000102301_200015216371 [0,2,0,0,0,0|2,0,0]=4 7163 B10R0.5 [2H]C([2H])([2H])C(=O)NCCCC 1626a_100000102301_200015216371 [0,2,0,0,0,0|2,0,0]=4 7164 B10R0.5 [2H]C([2H])([2H])C(=O)NCCCC 240690a_100000102301_200015216371 [0,2,0,0,0,0|2,0,0]=4 7165 B10R0.5 [2H]C([2H])([2H])C(=O)NCCCC 527a_100000102301_200015216371 [0,2,0,0,0,0|2,0,0]=4 7166 B10R0.12 C=C(C)CCC(=O)C(C)(C)C 1458a_106744555173_100000730704 [0,2,0,0,0,0|0,0,1]=3 7167 B10R0.12 C=C(C)CCC(=O)C(C)(C)F 1458a_100000765255_100000730704 [0,2,0,0,0,0|0,0,1]=3 7168 B10R0.12 C=C(C)CCC(=O)C(C)(C)O 1458a_100000242741_100000730704 [0,2,0,0,0,0|0,0,1]=3 7169 B10R0.12 C=C(C)CNC(=O)C(C)(C)C 11a_100000765925_106744555173 [0,2,0,0,0,0|1,0,1]=4 7170 B10R0.12 C=C(C)CNC(=O)C(C)(C)C 1626a_100000765925_106744555173 [0,2,0,0,0,0|1,0,1]=4 7171 B10R0.12 C=C(C)CNC(=O)C(C)(C)C 240690a_100000765925_106744555173 [0,2,0,0,0,0|1,0,1]=4 7172 B10R0.12 C=C(C)CNC(=O)C(C)(C)C 527a_100000765925_106744555173 [0,2,0,0,0,0|1,0,1]=4 7173 B10R0.12 C=C(C)CNC(=O)C(C)(C)F 11a_100000765925_100000765255 [0,2,0,0,0,0|1,0,1]=4 7174 B10R0.12 C=C(C)CNC(=O)C(C)(C)F 1626a_100000765925_100000765255 [0,2,0,0,0,0|1,0,1]=4 7175 B10R0.12 C=C(C)CNC(=O)C(C)(C)F 240690a_100000765925_100000765255 [0,2,0,0,0,0|1,0,1]=4 7176 B10R0.12 C=C(C)CNC(=O)C(C)(C)F 527a_100000765925_100000765255 [0,2,0,0,0,0|1,0,1]=4 7177 B10R0.12 C=C(C)CNC(=O)C(C)(C)O 240690a_100000765925_100000242741 [0,2,0,0,0,0|1,0,1]=4 7178 B10R0.12 CC(=CCC(=O)C(C)(C)C)C 1458a_106744555173_100000761012 [0,2,0,0,0,0|0,0,2]=4 7179 B10R0.12 CC(=CCC(=O)C(C)(C)F)C 1458a_100000765255_100000761012 [0,2,0,0,0,0|0,0,2]=4 7180 B10R0.12 CC(=CCC(=O)C(C)(C)O)C 1458a_100000242741_100000761012 [0,2,0,0,0,0|0,0,2]=4 7181 B10R0.12 CC(=O)CNC(=O)C(C)(C)C 1458a_100000194581_200000210301 [0,2,0,0,0,0|1,0,1]=4 7182 B10R0.12 CC(=O)COC(=O)C(C)(C)C 1458a_100000070787_100000032063 [0,2,0,0,0,0|1,0,1]=4 7183 B10R0.12 CC(C)(C)C(=O)NCC(=O)[13CH3] 1458a_100000194581_200025704644 [0,2,0,0,0,0|1,0,1]=4 7184 B10R0.12 CC(C)(C)C(=O)NCC(F)F 11a_100000765723_106744555173 [0,2,0,0,0,0|2,0,0]=4 7185 B10R0.12 CC(C)(C)C(=O)NCC(F)F 1626a_100000765723_106744555173 [0,2,0,0,0,0|2,0,0]=4 7186 B10R0.12 CC(C)(C)C(=O)NCC(F)F 240690a_100000765723_106744555173 [0,2,0,0,0,0|2,0,0]=4 7187 B10R0.12 CC(C)(C)C(=O)NCC(F)F 527a_100000765723_106744555173 [0,2,0,0,0,0|2,0,0]=4 7188 B10R0.12 CC(C)(F)C(=O)NCC(F)F 11a_100000765723_100000765255 [0,2,0,0,0,0|2,0,0]=4 7189 B10R0.12 CC(C)(F)C(=O)NCC(F)F 1626a_100000765723_100000765255 [0,2,0,0,0,0|2,0,0]=4 7190 B10R0.12 CC(C)(F)C(=O)NCC(F)F 240690a_100000765723_100000765255 [0,2,0,0,0,0|2,0,0]=4 7191 B10R0.12 CC(C)(F)C(=O)NCC(F)F 527a_100000765723_100000765255 [0,2,0,0,0,0|2,0,0]=4 7192 B10R0.12 CC(C)(O)C(=O)NCC(F)F 240690a_100000765723_100000242741 [0,2,0,0,0,0|2,0,0]=4 7193 B10R0.12 CC(C)CCC(=O)C(C)(C)C 1458a_106744555173_100000210312 [0,2,0,0,0,0|0,0,0]=2 7194 B10R0.12 CC(C)CCC(=O)C(C)(C)F 1458a_100000765255_100000210312 [0,2,0,0,0,0|0,0,0]=2 7195 B10R0.12 CC(C)CCC(=O)C(C)(C)O 1458a_100000242741_100000210312 [0,2,0,0,0,0|0,0,0]=2 7196 B10R0.12 CC(C)CCC(=O)C(F)(F)F 1458a_100000181311_200000243211 [0,2,0,0,0,0|2,0,0]=4 7197 B10R0.12 CC(C)CCC(=O)C(F)(F)F 1458a_100015355933_100000210312 [0,2,0,0,0,0|2,0,0]=4 7198 B10R0.12 CC(C)CCN(C)C(C)(C)C 269982a_100000742789_100000210625 [0,2,0,0,0,0|2,0,0]=4 7199 B10R0.12 CC(C)CCN(C)C(C)(C)C 269982a_100011215553_100000210312 [0,2,0,0,0,0|2,0,0]=4 7200 B10R0.12 CC(C)CNC(=O)C(C)(C)C 11a_100000210953_106744555173 [0,2,0,0,0,0|1,0,0]=3 7201 B10R0.12 CC(C)CNC(=O)C(C)(C)C 1626a_100000210953_106744555173 [0,2,0,0,0,0|1,0,0]=3 7202 B10R0.12 CC(C)CNC(=O)C(C)(C)C 240690a_100000210953_106744555173 [0,2,0,0,0,0|1,0,0]=3 7203 B10R0.12 CC(C)CNC(=O)C(C)(C)C 527a_100000210953_106744555173 [0,2,0,0,0,0|1,0,0]=3 7204 B10R0.12 CC(C)CNC(=O)C(C)(C)F 11a_100000210953_100000765255 [0,2,0,0,0,0|1,0,0]=3 7205 B10R0.12 CC(C)CNC(=O)C(C)(C)F 1626a_100000210953_100000765255 [0,2,0,0,0,0|1,0,0]=3 7206 B10R0.12 CC(C)CNC(=O)C(C)(C)F 240690a_100000210953_100000765255 [0,2,0,0,0,0|1,0,0]=3 7207 B10R0.12 CC(C)CNC(=O)C(C)(C)F 527a_100000210953_100000765255 [0,2,0,0,0,0|1,0,0]=3 7208 B10R0.12 CC(C)CNC(=O)C(C)(C)O 240690a_100000210953_100000242741 [0,2,0,0,0,0|1,0,0]=3 7209 B10R0.12 CC(C)CNC(=O)C(C)(F)F 11a_100000210953_100000042251 [0,2,0,0,0,0|2,0,0]=4 7210 B10R0.12 CC(C)CNC(=O)C(C)(F)F 1626a_100000210953_100000042251 [0,2,0,0,0,0|2,0,0]=4 7211 B10R0.12 CC(C)CNC(=O)C(C)(F)F 240690a_100000210953_100000042251 [0,2,0,0,0,0|2,0,0]=4 7212 B10R0.12 CC(C)CNC(=O)C(C)(F)F 527a_100000210953_100000042251 [0,2,0,0,0,0|2,0,0]=4 7213 B10R0.12 CC(C)NCC(=O)C(C)(C)C 34a_100138425928_100000229897 [0,2,0,0,0,0|1,0,0]=3 7214 B10R0.12 CC(C)NNC(=O)C(C)(C)C 22a_100000741168_106744555173 [0,2,0,0,0,0|2,0,0]=4 7215 B10R0.12 CC(C)NNC(=O)C(C)(C)F 22a_100000741168_100000765255 [0,2,0,0,0,0|2,0,0]=4 7216 B10R0.12 CC(C)NNC(=O)C(C)(C)O 22a_100000741168_100000242741 [0,2,0,0,0,0|2,0,0]=4 7217 B10R0.12 CC(C)OCC(=O)C(C)(C)C 34a_100000212225_100000229897 [0,2,0,0,0,0|1,0,0]=3 7218 B10R0.12 CC(C)OCC(=O)C(C)(C)C 34a_200011592769_100000210206 [0,2,0,0,0,0|1,0,0]=3 7219 B10R0.12 CC(C)OCC(=O)C(C)(C)C 7a_200011592769_100000210206 [0,2,0,0,0,0|1,0,0]=3 7220 B10R0.12 CC(C)SCC(=O)C(C)(C)C 62a_100000210206_100000210923 [0,2,0,0,0,0|1,0,0]=3 7221 B10R0.12 CC(C)SCC(=O)C(C)(C)C 62a_100000210923_100000210206 [0,2,0,0,0,0|1,0,0]=3 7222 B10R0.12 CC(O)CCC(=O)C(C)(C)C 1458a_106744555173_100012276601 [0,2,0,0,0,0|0,0,0]=2 7223 B10R0.12 CC(O)CCC(=O)C(C)(C)F 1458a_100000765255_100012276601 [0,2,0,0,0,0|0,0,0]=2 7224 B10R0.12 CC(O)CCC(=O)C(C)(C)O 1458a_100000242741_100012276601 [0,2,0,0,0,0|0,0,0]=2 7225 B10R0.12 CC(O)CCC(=O)C(F)(F)F 1458a_100015355933_100012276601 [0,2,0,0,0,0|2,0,0]=4 7226 B10R0.12 CC(O)CCN(C)C(C)(C)C 269982a_100011215553_100012276601 [0,2,0,0,0,0|2,0,0]=4 7227 B10R0.12 CC(O)CNC(=O)C(C)(C)C 11a_100000210904_106744555173 [0,2,0,0,0,0|1,0,0]=3 7228 B10R0.12 CC(O)CNC(=O)C(C)(C)C 240690a_100000210904_106744555173 [0,2,0,0,0,0|1,0,0]=3 7229 B10R0.12 CC(O)CNC(=O)C(C)(C)C 527a_100000210904_106744555173 [0,2,0,0,0,0|1,0,0]=3 7230 B10R0.12 CC(O)CNC(=O)C(C)(C)F 11a_100000210904_100000765255 [0,2,0,0,0,0|1,0,0]=3 7231 B10R0.12 CC(O)CNC(=O)C(C)(C)F 240690a_100000210904_100000765255 [0,2,0,0,0,0|1,0,0]=3 7232 B10R0.12 CC(O)CNC(=O)C(C)(C)F 527a_100000210904_100000765255 [0,2,0,0,0,0|1,0,0]=3 7233 B10R0.12 CC(O)CNC(=O)C(C)(C)O 240690a_100000210904_100000242741 [0,2,0,0,0,0|1,0,0]=3 7234 B10R0.12 CC(O)CNC(=O)C(C)(F)F 11a_100000210904_100000042251 [0,2,0,0,0,0|2,0,0]=4 7235 B10R0.12 CC(O)CNC(=O)C(C)(F)F 240690a_100000210904_100000042251 [0,2,0,0,0,0|2,0,0]=4 7236 B10R0.12 CC(O)CNC(=O)C(C)(F)F 527a_100000210904_100000042251 [0,2,0,0,0,0|2,0,0]=4 7237 B10R0.40 C#CC(C)(C)C(=O)C#CCC 1458a_100011827653_100000038118 [0,2,0,0,0,0|0,0,2]=4 7238 B10R0.40 C#CC(C)(C)C(=O)C/C=C/C 1458a_100000079900_100102629194 [0,2,0,0,0,0|0,0,2]=4 7239 B10R0.40 C#CC(C)(C)C(=O)C=CCC 1458a_100000212282_100000038118 [0,2,0,0,0,0|0,0,2]=4 7240 B10R0.40 C#CC(C)(C)C(=O)CC#CC 1458a_100000079900_100000748600 [0,2,0,0,0,0|0,0,2]=4 7241 B10R0.40 C#CC(C)(C)C(=O)CC=CC 1458a_100000079900_100000070051 [0,2,0,0,0,0|0,0,2]=4 7242 B10R0.40 C#CC(C)(C)C(=O)CC=CC 1458a_100121576822_100000038118 [0,2,0,0,0,0|0,0,2]=4 7243 B10R0.40 C#CC(C)(C)C(=O)CCC#N 1458a_100000079900_100011215226 [0,2,0,0,0,0|1,0,1]=4 7244 B10R0.40 C#CC(C)(C)C(=O)CCC#N 1458a_100011934036_100000038118 [0,2,0,0,0,0|1,0,1]=4 7245 B10R0.40 C#CC(C)(C)C(=O)CCC=C 1458a_100000079900_100000754431 [0,2,0,0,0,0|0,0,2]=4 7246 B10R0.40 C#CC(C)(C)C(=O)CCC=C 1458a_100000749702_100000038118 [0,2,0,0,0,0|0,0,2]=4 7247 B10R0.40 C#CC(C)(C)C(=O)CCCC 1458a_100000079900_100000210211 [0,2,0,0,0,0|0,0,0]=2 7248 B10R0.40 C#CC(C)(C)C(=O)CCCC 1458a_100000210183_100000038118 [0,2,0,0,0,0|0,0,0]=2 7249 B10R0.40 C#CC(C)(C)C(=O)CCCF 1458a_100000079900_100011934791 [0,2,0,0,0,0|1,0,0]=3 7250 B10R0.40 C#CC(C)(C)C(=O)CCCO 1458a_100000079900_100011215043 [0,2,0,0,0,0|1,0,0]=3 7251 B10R0.40 C#CC(C)(C)C(=O)CCOC 1458a_100000079900_100000233755 [0,2,0,0,0,0|1,0,0]=3 7252 B10R0.40 C#CC(C)(C)C(=O)CCOC 1458a_100000749529_100000038118 [0,2,0,0,0,0|1,0,0]=3 7253 B10R0.40 C#CC(C)(C)C(=O)CCSC 1458a_100000079900_100000751147 [0,2,0,0,0,0|1,0,0]=3 7254 B10R0.40 C#CC(C)(C)C(=O)CCSC 1458a_100000174002_100000038118 [0,2,0,0,0,0|1,0,0]=3 7255 B10R0.40 C#CC(C)(C)C(=O)COCC 1458a_100000211967_100000038118 [0,2,0,0,0,0|1,0,0]=3 7256 B10R0.40 C#CC(C)(C)C(=O)CSCC 1458a_100000230394_100000038118 [0,2,0,0,0,0|1,0,0]=3 7257 B10R0.40 C#CC(C)(C)C(=O)NCCC 11a_100020643023_100000079900 [0,2,0,0,0,0|1,0,0]=3 7258 B10R0.40 C#CC(C)(C)C(=O)NCCC 1626a_100020643023_100000079900 [0,2,0,0,0,0|1,0,0]=3 7259 B10R0.40 C#CC(C)(C)C(=O)NCCC 240690a_100020643023_100000079900 [0,2,0,0,0,0|1,0,0]=3 7260 B10R0.40 C#CC(C)(C)C(=O)NCCC 527a_100020643023_100000079900 [0,2,0,0,0,0|1,0,0]=3 7261 B10R0.40 C#CC(C)(C)C(=O)NCCF 11a_100000724931_100000079900 [0,2,0,0,0,0|2,0,0]=4 7262 B10R0.40 C#CC(C)(C)C(=O)NCCF 1626a_100000724931_100000079900 [0,2,0,0,0,0|2,0,0]=4 7263 B10R0.40 C#CC(C)(C)C(=O)NCCF 240690a_100000724931_100000079900 [0,2,0,0,0,0|2,0,0]=4 7264 B10R0.40 C#CC(C)(C)C(=O)NCCF 527a_100000724931_100000079900 [0,2,0,0,0,0|2,0,0]=4 7265 B10R0.40 C#CC(C)(C)C(=O)NCCO 240690a_100000210304_100000079900 [0,2,0,0,0,0|2,0,0]=4 7266 B10R0.40 C#CC(C)(C)C(=O)NCCO 527a_100000210304_100000079900 [0,2,0,0,0,0|2,0,0]=4 7267 B10R0.40 C#CC(C)(C)C(=O)NNCC 22a_100000756455_100000079900 [0,2,0,0,0,0|2,0,0]=4 7268 B10R0.40 C#CCCC(=O)C(C)(C)C#C 1458a_100000079900_100000753159 [0,2,0,0,0,0|0,0,2]=4 7269 B10R0.40 C#CCCC(=O)C(C)(C)C#C 1458a_100000692101_100000038118 [0,2,0,0,0,0|0,0,2]=4 7270 B10R0.40 C#CCCC(=O)C(C)(C)C#N 1458a_100000740761_100000753159 [0,2,0,0,0,0|0,0,2]=4 7271 B10R0.40 C#CCCC(=O)C(C)(C)C=C 1458a_100012027013_100000753159 [0,2,0,0,0,0|0,0,2]=4 7272 B10R0.40 C#CCCC(=O)C(C)(C)CC 1458a_100000749717_100000753159 [0,2,0,0,0,0|0,0,2]=4 7273 B10R0.40 C#CCCC(=O)C(C)(C)CF 1458a_100000138116_100000753159 [0,2,0,0,0,0|0,0,2]=4 7274 B10R0.40 C#CCCC(=O)C(C)(C)CO 1458a_100000749806_100000753159 [0,2,0,0,0,0|0,0,2]=4 7275 B10R0.40 C#CCCC(=O)C(C)(C)OC 1458a_100000753492_100000753159 [0,2,0,0,0,0|0,0,2]=4 7276 B10R0.40 C#CCCC(=O)C(C)(O)CC 1458a_100011219770_100000753159 [0,2,0,0,0,0|0,0,2]=4 7277 B10R0.40 C/C=C/CC(=O)C(C)(C)C#N 1458a_100000740761_100102629194 [0,2,0,0,0,0|0,0,2]=4 7278 B10R0.40 C/C=C/CC(=O)C(C)(C)CC 1458a_100000749717_100102629194 [0,2,0,0,0,0|0,0,2]=4 7279 B10R0.40 C/C=C/CC(=O)C(C)(C)CF 1458a_100000138116_100102629194 [0,2,0,0,0,0|0,0,2]=4 7280 B10R0.40 C/C=C/CC(=O)C(C)(C)CO 1458a_100000749806_100102629194 [0,2,0,0,0,0|0,0,2]=4 7281 B10R0.40 C/C=C/CC(=O)C(C)(C)OC 1458a_100000753492_100102629194 [0,2,0,0,0,0|0,0,2]=4 7282 B10R0.40 C/C=C/CC(=O)C(C)(O)CC 1458a_100011219770_100102629194 [0,2,0,0,0,0|0,0,2]=4 7283 B10R0.40 C=CC(C)(C)C(=O)C/C=C/C 1458a_100012027013_100102629194 [0,2,0,0,0,0|0,0,2]=4 7284 B10R0.40 C=CC(C)(C)C(=O)CC#CC 1458a_100012027013_100000748600 [0,2,0,0,0,0|0,0,2]=4 7285 B10R0.40 C=CC(C)(C)C(=O)CC=CC 1458a_100012027013_100000070051 [0,2,0,0,0,0|0,0,2]=4 7286 B10R0.40 C=CC(C)(C)C(=O)CCC#N 1458a_100012027013_100011215226 [0,2,0,0,0,0|1,0,1]=4 7287 B10R0.40 C=CC(C)(C)C(=O)CCCC 1458a_100012027013_100000210211 [0,2,0,0,0,0|0,0,0]=2 7288 B10R0.40 C=CC(C)(C)C(=O)CCCF 1458a_100012027013_100011934791 [0,2,0,0,0,0|1,0,0]=3 7289 B10R0.40 C=CC(C)(C)C(=O)CCCO 1458a_100012027013_100011215043 [0,2,0,0,0,0|1,0,0]=3 7290 B10R0.40 C=CC(C)(C)C(=O)CCOC 1458a_100012027013_100000233755 [0,2,0,0,0,0|1,0,0]=3 7291 B10R0.40 C=CC(C)(C)C(=O)CCSC 1458a_100012027013_100000751147 [0,2,0,0,0,0|1,0,0]=3 7292 B10R0.40 C=CC(C)(C)C(=O)NCCC 11a_100020643023_100012027013 [0,2,0,0,0,0|1,0,0]=3 7293 B10R0.40 C=CC(C)(C)C(=O)NCCC 1626a_100020643023_100012027013 [0,2,0,0,0,0|1,0,0]=3 7294 B10R0.40 C=CC(C)(C)C(=O)NCCC 240690a_100020643023_100012027013 [0,2,0,0,0,0|1,0,0]=3 7295 B10R0.40 C=CC(C)(C)C(=O)NCCC 527a_100020643023_100012027013 [0,2,0,0,0,0|1,0,0]=3 7296 B10R0.40 C=CC(C)(C)C(=O)NCCF 11a_100000724931_100012027013 [0,2,0,0,0,0|2,0,0]=4 7297 B10R0.40 C=CC(C)(C)C(=O)NCCF 1626a_100000724931_100012027013 [0,2,0,0,0,0|2,0,0]=4 7298 B10R0.40 C=CC(C)(C)C(=O)NCCF 240690a_100000724931_100012027013 [0,2,0,0,0,0|2,0,0]=4 7299 B10R0.40 C=CC(C)(C)C(=O)NCCF 527a_100000724931_100012027013 [0,2,0,0,0,0|2,0,0]=4 7300 B10R0.40 C=CC(C)(C)C(=O)NCCO 240690a_100000210304_100012027013 [0,2,0,0,0,0|2,0,0]=4 7301 B10R0.40 C=CC(C)(C)C(=O)NCCO 527a_100000210304_100012027013 [0,2,0,0,0,0|2,0,0]=4 7302 B10R0.40 C=CC(C)(C)C(=O)NNCC 22a_100000756455_100012027013 [0,2,0,0,0,0|2,0,0]=4 7303 B10R0.40 C=CCCC(=O)C(C)(C)C#N 1458a_100000740761_100000754431 [0,2,0,0,0,0|0,0,2]=4 7304 B10R0.40 C=CCCC(=O)C(C)(C)C=C 1458a_100012027013_100000754431 [0,2,0,0,0,0|0,0,2]=4 7305 B10R0.40 C=CCCC(=O)C(C)(C)CC 1458a_100000749717_100000754431 [0,2,0,0,0,0|0,0,2]=4 7306 B10R0.40 C=CCCC(=O)C(C)(C)CF 1458a_100000138116_100000754431 [0,2,0,0,0,0|0,0,2]=4 7307 B10R0.40 C=CCCC(=O)C(C)(C)CO 1458a_100000749806_100000754431 [0,2,0,0,0,0|0,0,2]=4 7308 B10R0.40 C=CCCC(=O)C(C)(C)OC 1458a_100000753492_100000754431 [0,2,0,0,0,0|0,0,2]=4 7309 B10R0.40 C=CCCC(=O)C(C)(O)CC 1458a_100011219770_100000754431 [0,2,0,0,0,0|0,0,2]=4 7310 B10R0.40 CC#CCC(=O)C(C)(C)C#N 1458a_100000740761_100000748600 [0,2,0,0,0,0|0,0,2]=4 7311 B10R0.40 CC#CCC(=O)C(C)(C)CC 1458a_100000749717_100000748600 [0,2,0,0,0,0|0,0,2]=4 7312 B10R0.40 CC#CCC(=O)C(C)(C)CF 1458a_100000138116_100000748600 [0,2,0,0,0,0|0,0,2]=4 7313 B10R0.40 CC#CCC(=O)C(C)(C)CO 1458a_100000749806_100000748600 [0,2,0,0,0,0|0,0,2]=4 7314 B10R0.40 CC#CCC(=O)C(C)(C)OC 1458a_100000753492_100000748600 [0,2,0,0,0,0|0,0,2]=4 7315 B10R0.40 CC#CCC(=O)C(C)(O)CC 1458a_100011219770_100000748600 [0,2,0,0,0,0|0,0,2]=4 7316 B10R0.40 CC(C)(C#N)C(=O)CCC#N 1458a_100000740761_100011215226 [0,2,0,0,0,0|1,0,1]=4 7317 B10R0.40 CC(C)(C#N)C(=O)CCCF 1458a_100000740761_100011934791 [0,2,0,0,0,0|1,0,0]=3 7318 B10R0.40 CC(C)(C#N)C(=O)CCCO 1458a_100000740761_100011215043 [0,2,0,0,0,0|1,0,0]=3 7319 B10R0.40 CC(C)(C#N)C(=O)NCCF 11a_100000724931_100000740761 [0,2,0,0,0,0|2,0,0]=4 7320 B10R0.40 CC(C)(C#N)C(=O)NCCF 1626a_100000724931_100000740761 [0,2,0,0,0,0|2,0,0]=4 7321 B10R0.40 CC(C)(C#N)C(=O)NCCF 240690a_100000724931_100000740761 [0,2,0,0,0,0|2,0,0]=4 7322 B10R0.40 CC(C)(C#N)C(=O)NCCF 527a_100000724931_100000740761 [0,2,0,0,0,0|2,0,0]=4 7323 B10R0.40 CC(C)(C#N)C(=O)NCCO 240690a_100000210304_100000740761 [0,2,0,0,0,0|2,0,0]=4 7324 B10R0.40 CC(C)(C#N)C(=O)NCCO 527a_100000210304_100000740761 [0,2,0,0,0,0|2,0,0]=4 7325 B10R0.40 CC(C)(CF)C(=O)CCC#N 1458a_100000138116_100011215226 [0,2,0,0,0,0|1,0,1]=4 7326 B10R0.40 CC(C)(CF)C(=O)CCCF 1458a_100000138116_100011934791 [0,2,0,0,0,0|1,0,0]=3 7327 B10R0.40 CC(C)(CF)C(=O)CCCO 1458a_100000138116_100011215043 [0,2,0,0,0,0|1,0,0]=3 7328 B10R0.40 CC(C)(CF)C(=O)NCCF 11a_100000724931_100000138116 [0,2,0,0,0,0|2,0,0]=4 7329 B10R0.40 CC(C)(CF)C(=O)NCCF 1626a_100000724931_100000138116 [0,2,0,0,0,0|2,0,0]=4 7330 B10R0.40 CC(C)(CF)C(=O)NCCF 240690a_100000724931_100000138116 [0,2,0,0,0,0|2,0,0]=4 7331 B10R0.40 CC(C)(CF)C(=O)NCCF 527a_100000724931_100000138116 [0,2,0,0,0,0|2,0,0]=4 7332 B10R0.40 CC(C)(CF)C(=O)NCCO 240690a_100000210304_100000138116 [0,2,0,0,0,0|2,0,0]=4 7333 B10R0.40 CC(C)(CF)C(=O)NCCO 527a_100000210304_100000138116 [0,2,0,0,0,0|2,0,0]=4 7334 B10R0.40 CC(C)(CO)C(=O)CCC#N 1458a_100000749806_100011215226 [0,2,0,0,0,0|1,0,1]=4 7335 B10R0.40 CC(C)(CO)C(=O)CCCF 1458a_100000749806_100011934791 [0,2,0,0,0,0|1,0,0]=3 7336 B10R0.40 CC(C)(CO)C(=O)CCCO 1458a_100000749806_100011215043 [0,2,0,0,0,0|1,0,0]=3 7337 B10R0.40 CC(C)(CO)C(=O)NCCF 1626a_100000724931_100000749806 [0,2,0,0,0,0|2,0,0]=4 7338 B10R0.40 CC(C)(CO)C(=O)NCCF 240690a_100000724931_100000749806 [0,2,0,0,0,0|2,0,0]=4 7339 B10R0.40 CC(C)(CO)C(=O)NCCF 527a_100000724931_100000749806 [0,2,0,0,0,0|2,0,0]=4 7340 B10R0.40 CC(C)(CO)C(=O)NCCO 240690a_100000210304_100000749806 [0,2,0,0,0,0|2,0,0]=4 7341 B10R0.40 CC(C)(CO)C(=O)NCCO 527a_100000210304_100000749806 [0,2,0,0,0,0|2,0,0]=4 7342 B10R0.40 CC(C)(S[13CH3])C(=O)OCCO 62a_100009817195_200025704644 [0,2,0,0,0,0|2,0,0]=4 7343 B10R0.40 CC(C)(S[13CH3])C(=O)OCCO 62a_200025704644_100009817195 [0,2,0,0,0,0|2,0,0]=4 7344 B10R0.40 CC=CCC(=O)C(C)(C)C#N 1458a_100000740761_100000070051 [0,2,0,0,0,0|0,0,2]=4 7345 B10R0.40 CC=CCC(=O)C(C)(C)CC 1458a_100000749717_100000070051 [0,2,0,0,0,0|0,0,2]=4 7346 B10R0.40 CC=CCC(=O)C(C)(C)CF 1458a_100000138116_100000070051 [0,2,0,0,0,0|0,0,2]=4 7347 B10R0.40 CC=CCC(=O)C(C)(C)CO 1458a_100000749806_100000070051 [0,2,0,0,0,0|0,0,2]=4 7348 B10R0.40 CC=CCC(=O)C(C)(C)OC 1458a_100000753492_100000070051 [0,2,0,0,0,0|0,0,2]=4 7349 B10R0.40 CC=CCC(=O)C(C)(O)CC 1458a_100011219770_100000070051 [0,2,0,0,0,0|0,0,2]=4 7350 B10R0.40 CCC(C)(C)C(=O)CCC#N 1458a_100000749717_100011215226 [0,2,0,0,0,0|1,0,1]=4 7351 B10R0.40 CCC(C)(C)C(=O)CCCF 1458a_100000749717_100011934791 [0,2,0,0,0,0|1,0,0]=3 7352 B10R0.40 CCC(C)(C)C(=O)CCCO 1458a_100000749717_100011215043 [0,2,0,0,0,0|1,0,0]=3 7353 B10R0.40 CCC(C)(C)C(=O)CCOC 1458a_100000749717_100000233755 [0,2,0,0,0,0|1,0,0]=3 7354 B10R0.40 CCC(C)(C)C(=O)CCSC 1458a_100000749717_100000751147 [0,2,0,0,0,0|1,0,0]=3 7355 B10R0.40 CCC(C)(C)C(=O)NCCF 11a_100000724931_100000749717 [0,2,0,0,0,0|2,0,0]=4 7356 B10R0.40 CCC(C)(C)C(=O)NCCF 1626a_100000724931_100000749717 [0,2,0,0,0,0|2,0,0]=4 7357 B10R0.40 CCC(C)(C)C(=O)NCCF 240690a_100000724931_100000749717 [0,2,0,0,0,0|2,0,0]=4 7358 B10R0.40 CCC(C)(C)C(=O)NCCF 527a_100000724931_100000749717 [0,2,0,0,0,0|2,0,0]=4 7359 B10R0.40 CCC(C)(C)C(=O)NCCO 240690a_100000210304_100000749717 [0,2,0,0,0,0|2,0,0]=4 7360 B10R0.40 CCC(C)(C)C(=O)NCCO 527a_100000210304_100000749717 [0,2,0,0,0,0|2,0,0]=4 7361 B10R0.40 CCC(C)(O)C(=O)CCC#N 1458a_100011219770_100011215226 [0,2,0,0,0,0|1,0,1]=4 7362 B10R0.40 CCC(C)(O)C(=O)CCCF 1458a_100011219770_100011934791 [0,2,0,0,0,0|1,0,0]=3 7363 B10R0.40 CCC(C)(O)C(=O)CCCO 1458a_100011219770_100011215043 [0,2,0,0,0,0|1,0,0]=3 7364 B10R0.40 CCC(C)(O)C(=O)CCOC 1458a_100011219770_100000233755 [0,2,0,0,0,0|1,0,0]=3 7365 B10R0.40 CCC(C)(O)C(=O)CCSC 1458a_100011219770_100000751147 [0,2,0,0,0,0|1,0,0]=3 7366 B10R0.40 CCC(C)(O)C(=O)NCCF 240690a_100000724931_100011219770 [0,2,0,0,0,0|2,0,0]=4 7367 B10R0.40 CCC(C)(O)C(=O)NCCO 240690a_100000210304_100011219770 [0,2,0,0,0,0|2,0,0]=4 7368 B10R0.40 CCC(F)(F)C(=O)CCCF 1458a_100000061896_100011934791 [0,2,0,0,0,0|2,0,0]=4 7369 B10R0.40 CCC(F)(F)C(=O)CCCO 1458a_100000061896_100011215043 [0,2,0,0,0,0|2,0,0]=4 7370 B10R0.40 CCC(F)(F)C(=O)CCOC 1458a_100000061896_100000233755 [0,2,0,0,0,0|2,0,0]=4 7371 B10R0.40 CCC(F)(F)C(=O)CCSC 1458a_100000061896_100000751147 [0,2,0,0,0,0|2,0,0]=4 7372 B10R0.40 CCCCC(=O)C(C)(C)C#N 1458a_100000740761_100000210211 [0,2,0,0,0,0|0,0,0]=2 7373 B10R0.40 CCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210211 [0,2,0,0,0,0|0,0,0]=2 7374 B10R0.40 CCCCC(=O)C(C)(C)CF 1458a_100000138116_100000210211 [0,2,0,0,0,0|0,0,0]=2 7375 B10R0.40 CCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210211 [0,2,0,0,0,0|0,0,0]=2 7376 B10R0.40 CCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210211 [0,2,0,0,0,0|0,0,0]=2 7377 B10R0.40 CCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210211 [0,2,0,0,0,0|0,0,0]=2 7378 B10R0.40 CCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210211 [0,2,0,0,0,0|1,0,0]=3 7379 B10R0.40 CCCCN(C)C(C)(C)C#N 269982a_100000207549_100011162410 [0,2,0,0,0,0|2,0,0]=4 7380 B10R0.40 CCCCN(C)C(C)(C)CC 2230a_200000755171_100000210211 [0,2,0,0,0,0|2,0,0]=4 7381 B10R0.40 CCCCN(C)C(C)(C)CC 269982a_100000207549_100000032637 [0,2,0,0,0,0|2,0,0]=4 7382 B10R0.40 CCCCN(C)C(C)(C)CC 269982a_200000755171_100000210211 [0,2,0,0,0,0|2,0,0]=4 7383 B10R0.40 CCCCN(C)C(C)(C)CO 269982a_100015204102_100000210211 [0,2,0,0,0,0|2,0,0]=4 7384 B10R0.40 CCCNC(=O)C(C)(C)C#N 11a_100020643023_100000740761 [0,2,0,0,0,0|1,0,0]=3 7385 B10R0.40 CCCNC(=O)C(C)(C)C#N 1626a_100020643023_100000740761 [0,2,0,0,0,0|1,0,0]=3 7386 B10R0.40 CCCNC(=O)C(C)(C)C#N 240690a_100020643023_100000740761 [0,2,0,0,0,0|1,0,0]=3 7387 B10R0.40 CCCNC(=O)C(C)(C)C#N 527a_100020643023_100000740761 [0,2,0,0,0,0|1,0,0]=3 7388 B10R0.40 CCCNC(=O)C(C)(C)CC 11a_100020643023_100000749717 [0,2,0,0,0,0|1,0,0]=3 7389 B10R0.40 CCCNC(=O)C(C)(C)CC 1626a_100020643023_100000749717 [0,2,0,0,0,0|1,0,0]=3 7390 B10R0.40 CCCNC(=O)C(C)(C)CC 240690a_100020643023_100000749717 [0,2,0,0,0,0|1,0,0]=3 7391 B10R0.40 CCCNC(=O)C(C)(C)CC 527a_100020643023_100000749717 [0,2,0,0,0,0|1,0,0]=3 7392 B10R0.40 CCCNC(=O)C(C)(C)CF 11a_100020643023_100000138116 [0,2,0,0,0,0|1,0,0]=3 7393 B10R0.40 CCCNC(=O)C(C)(C)CF 1626a_100020643023_100000138116 [0,2,0,0,0,0|1,0,0]=3 7394 B10R0.40 CCCNC(=O)C(C)(C)CF 240690a_100020643023_100000138116 [0,2,0,0,0,0|1,0,0]=3 7395 B10R0.40 CCCNC(=O)C(C)(C)CF 527a_100020643023_100000138116 [0,2,0,0,0,0|1,0,0]=3 7396 B10R0.40 CCCNC(=O)C(C)(C)CO 1626a_100020643023_100000749806 [0,2,0,0,0,0|1,0,0]=3 7397 B10R0.40 CCCNC(=O)C(C)(C)CO 240690a_100020643023_100000749806 [0,2,0,0,0,0|1,0,0]=3 7398 B10R0.40 CCCNC(=O)C(C)(C)CO 527a_100020643023_100000749806 [0,2,0,0,0,0|1,0,0]=3 7399 B10R0.40 CCCNC(=O)C(C)(C)OC 11a_100020643023_100000753492 [0,2,0,0,0,0|1,0,0]=3 7400 B10R0.40 CCCNC(=O)C(C)(C)OC 1626a_100020643023_100000753492 [0,2,0,0,0,0|1,0,0]=3 7401 B10R0.40 CCCNC(=O)C(C)(C)OC 240690a_100020643023_100000753492 [0,2,0,0,0,0|1,0,0]=3 7402 B10R0.40 CCCNC(=O)C(C)(C)OC 527a_100020643023_100000753492 [0,2,0,0,0,0|1,0,0]=3 7403 B10R0.40 CCCNC(=O)C(C)(O)CC 240690a_100020643023_100011219770 [0,2,0,0,0,0|1,0,0]=3 7404 B10R0.40 CCCNC(=O)C(F)(F)CC 11a_100020643023_100000061896 [0,2,0,0,0,0|2,0,0]=4 7405 B10R0.40 CCCNC(=O)C(F)(F)CC 1626a_100020643023_100000061896 [0,2,0,0,0,0|2,0,0]=4 7406 B10R0.40 CCCNC(=O)C(F)(F)CC 240690a_100020643023_100000061896 [0,2,0,0,0,0|2,0,0]=4 7407 B10R0.40 CCCNC(=O)C(F)(F)CC 527a_100020643023_100000061896 [0,2,0,0,0,0|2,0,0]=4 7408 B10R0.40 CCNNC(=O)C(C)(C)C#N 22a_100000756455_100000740761 [0,2,0,0,0,0|2,0,0]=4 7409 B10R0.40 CCNNC(=O)C(C)(C)CC 22a_100000756455_100000749717 [0,2,0,0,0,0|2,0,0]=4 7410 B10R0.40 CCNNC(=O)C(C)(C)CF 22a_100000756455_100000138116 [0,2,0,0,0,0|2,0,0]=4 7411 B10R0.40 CCNNC(=O)C(C)(C)CO 22a_100000756455_100000749806 [0,2,0,0,0,0|2,0,0]=4 7412 B10R0.40 CCNNC(=O)C(C)(C)OC 22a_100000756455_100000753492 [0,2,0,0,0,0|2,0,0]=4 7413 B10R0.40 CCNNC(=O)C(C)(O)CC 22a_100000756455_100011219770 [0,2,0,0,0,0|2,0,0]=4 7414 B10R0.40 CNC(C)(C)C(=O)OCCO 2230a_106832991635_100009817195 [0,2,0,0,0,0|2,0,0]=4 7415 B10R0.40 CNC(C)(C)C(=O)OCCO 34a_100102657272_100009817195 [0,2,0,0,0,0|2,0,0]=4 7416 B10R0.40 CNC(C)(C)C(=O)OCCO 7a_106832991635_100009817195 [0,2,0,0,0,0|2,0,0]=4 7417 B10R0.40 COC(C)(C)C(=O)CCC#N 1458a_100000753492_100011215226 [0,2,0,0,0,0|1,0,1]=4 7418 B10R0.40 COC(C)(C)C(=O)CCCF 1458a_100000753492_100011934791 [0,2,0,0,0,0|1,0,0]=3 7419 B10R0.40 COC(C)(C)C(=O)CCCO 1458a_100000753492_100011215043 [0,2,0,0,0,0|1,0,0]=3 7420 B10R0.40 COC(C)(C)C(=O)CCSC 1458a_100000753492_100000751147 [0,2,0,0,0,0|1,0,0]=3 7421 B10R0.40 COC(C)(C)C(=O)NCCF 11a_100000724931_100000753492 [0,2,0,0,0,0|2,0,0]=4 7422 B10R0.40 COC(C)(C)C(=O)NCCF 1626a_100000724931_100000753492 [0,2,0,0,0,0|2,0,0]=4 7423 B10R0.40 COC(C)(C)C(=O)NCCF 240690a_100000724931_100000753492 [0,2,0,0,0,0|2,0,0]=4 7424 B10R0.40 COC(C)(C)C(=O)NCCF 527a_100000724931_100000753492 [0,2,0,0,0,0|2,0,0]=4 7425 B10R0.40 COC(C)(C)C(=O)NCCO 240690a_100000210304_100000753492 [0,2,0,0,0,0|2,0,0]=4 7426 B10R0.40 COC(C)(C)C(=O)NCCO 527a_100000210304_100000753492 [0,2,0,0,0,0|2,0,0]=4 7427 B10R0.40 COC(C)(C)C(=O)OCCO 34a_100138415774_100009817195 [0,2,0,0,0,0|2,0,0]=4 7428 B10R0.40 COCCC(=O)C(C)(C)C#N 1458a_100000740761_100000233755 [0,2,0,0,0,0|1,0,0]=3 7429 B10R0.40 COCCC(=O)C(C)(C)CF 1458a_100000138116_100000233755 [0,2,0,0,0,0|1,0,0]=3 7430 B10R0.40 COCCC(=O)C(C)(C)CO 1458a_100000749806_100000233755 [0,2,0,0,0,0|1,0,0]=3 7431 B10R0.40 COCCC(=O)C(C)(C)OC 1458a_100000753492_100000233755 [0,2,0,0,0,0|1,0,0]=3 7432 B10R0.40 CSC(C)(C)C(=O)OCCO 62a_100009817195_200000210301 [0,2,0,0,0,0|2,0,0]=4 7433 B10R0.40 CSC(C)(C)C(=O)OCCO 62a_200000210301_100009817195 [0,2,0,0,0,0|2,0,0]=4 7434 B10R0.40 CSCCC(=O)C(C)(C)C#N 1458a_100000740761_100000751147 [0,2,0,0,0,0|1,0,0]=3 7435 B10R0.40 CSCCC(=O)C(C)(C)CF 1458a_100000138116_100000751147 [0,2,0,0,0,0|1,0,0]=3 7436 B10R0.40 CSCCC(=O)C(C)(C)CO 1458a_100000749806_100000751147 [0,2,0,0,0,0|1,0,0]=3 7437 B10R0.52 CC(C)(C)C(=O)CC(=O)CO 1458a_100000210174_100000210923 [0,2,0,0,0,0|1,0,1]=4 7438 B10R0.52 CCC(=O)CC(=O)C(C)(C)C 1458a_100000210414_100000210923 [0,2,0,0,0,0|0,0,1]=3 7439 B10R0.52 CCC(=O)CC(=O)C(C)(C)C 1458a_106744555173_100000747405 [0,2,0,0,0,0|0,0,1]=3 7440 B10R0.52 CCC(=O)CC(=O)C(C)(C)F 1458a_100000765255_100000747405 [0,2,0,0,0,0|0,0,1]=3 7441 B10R0.52 CCC(=O)CC(=O)C(C)(C)O 1458a_100000242741_100000747405 [0,2,0,0,0,0|0,0,1]=3 7442 B10R0.52 CCC(C)CC(=O)C(C)(C)C 1458a_106744555173_100000748023 [0,2,0,0,0,0|0,0,0]=2 7443 B10R0.52 CCC(C)CC(=O)C(C)(C)F 1458a_100000765255_100000748023 [0,2,0,0,0,0|0,0,0]=2 7444 B10R0.52 CCC(C)CC(=O)C(C)(C)O 1458a_100000242741_100000748023 [0,2,0,0,0,0|0,0,0]=2 7445 B10R0.52 CCC(C)CC(=O)C(F)(F)F 1458a_100000708755_200000243211 [0,2,0,0,0,0|2,0,0]=4 7446 B10R0.52 CCC(C)CC(=O)C(F)(F)F 1458a_100015355933_100000748023 [0,2,0,0,0,0|2,0,0]=4 7447 B10R0.52 CCC(C)CN(C)C(C)(C)C 269982a_100000753921_100000210625 [0,2,0,0,0,0|2,0,0]=4 7448 B10R0.52 CCC(C)CN(C)C(C)(C)C 269982a_100011215553_100000748023 [0,2,0,0,0,0|2,0,0]=4 7449 B10R0.52 CCC(C)CN(C)C(C)(C)C 270004a_100011215553_100000243153 [0,2,0,0,0,0|2,0,0]=4 7450 B10R0.52 CCC(C)NC(=O)C(C)(C)C 11a_100000209981_106744555173 [0,2,0,0,0,0|1,0,0]=3 7451 B10R0.52 CCC(C)NC(=O)C(C)(C)C 1626a_100000209981_106744555173 [0,2,0,0,0,0|1,0,0]=3 7452 B10R0.52 CCC(C)NC(=O)C(C)(C)C 240690a_100000209981_106744555173 [0,2,0,0,0,0|1,0,0]=3 7453 B10R0.52 CCC(C)NC(=O)C(C)(C)C 527a_100000209981_106744555173 [0,2,0,0,0,0|1,0,0]=3 7454 B10R0.52 CCC(C)NC(=O)C(C)(C)F 11a_100000209981_100000765255 [0,2,0,0,0,0|1,0,0]=3 7455 B10R0.52 CCC(C)NC(=O)C(C)(C)F 1626a_100000209981_100000765255 [0,2,0,0,0,0|1,0,0]=3 7456 B10R0.52 CCC(C)NC(=O)C(C)(C)F 240690a_100000209981_100000765255 [0,2,0,0,0,0|1,0,0]=3 7457 B10R0.52 CCC(C)NC(=O)C(C)(C)F 527a_100000209981_100000765255 [0,2,0,0,0,0|1,0,0]=3 7458 B10R0.52 CCC(C)NC(=O)C(C)(C)O 240690a_100000209981_100000242741 [0,2,0,0,0,0|1,0,0]=3 7459 B10R0.52 CCC(C)NC(=O)C(C)(F)F 11a_100000209981_100000042251 [0,2,0,0,0,0|2,0,0]=4 7460 B10R0.52 CCC(C)NC(=O)C(C)(F)F 1626a_100000209981_100000042251 [0,2,0,0,0,0|2,0,0]=4 7461 B10R0.52 CCC(C)NC(=O)C(C)(F)F 240690a_100000209981_100000042251 [0,2,0,0,0,0|2,0,0]=4 7462 B10R0.52 CCC(C)NC(=O)C(C)(F)F 527a_100000209981_100000042251 [0,2,0,0,0,0|2,0,0]=4 7463 B10R0.52 CCC(O)CC(=O)C(C)(C)C 1458a_106744555173_100011218378 [0,2,0,0,0,0|0,0,0]=2 7464 B10R0.52 CCC(O)CC(=O)C(C)(C)F 1458a_100000765255_100011218378 [0,2,0,0,0,0|0,0,0]=2 7465 B10R0.52 CCC(O)CC(=O)C(C)(C)O 1458a_100000242741_100011218378 [0,2,0,0,0,0|0,0,0]=2 7466 B10R0.52 CCC(O)CC(=O)C(F)(F)F 1458a_100011667805_200000243211 [0,2,0,0,0,0|2,0,0]=4 7467 B10R0.52 CCC(O)CC(=O)C(F)(F)F 1458a_100015355933_100011218378 [0,2,0,0,0,0|2,0,0]=4 7468 B10R0.52 CCC(O)CN(C)C(C)(C)C 269982a_100011215553_100011218378 [0,2,0,0,0,0|2,0,0]=4 7469 B10R0.52 CCN(C)CC(=O)C(C)(C)C 269982a_100000225621_100000210923 [0,2,0,0,0,0|1,0,0]=3 7470 B10R0.52 CC[C@H](C)CC(=O)C(C)(C)C 1458a_106744555173_100009816398 [0,2,0,0,0,0|0,0,0]=2 7471 B10R0.52 CC[C@H](C)CC(=O)C(C)(C)F 1458a_100000765255_100009816398 [0,2,0,0,0,0|0,0,0]=2 7472 B10R0.52 CC[C@H](C)CC(=O)C(C)(C)O 1458a_100000242741_100009816398 [0,2,0,0,0,0|0,0,0]=2 7473 B10R0.52 CC[C@H](C)CC(=O)C(F)(F)F 1458a_100015355933_100009816398 [0,2,0,0,0,0|2,0,0]=4 7474 B10R0.52 CC[C@H](C)CN(C)C(C)(C)C 269982a_100011215553_100009816398 [0,2,0,0,0,0|2,0,0]=4 7475 B10R0.52 CNC(=O)CC(=O)C(C)(C)C 1458a_106744555173_100000183359 [0,2,0,0,0,0|1,0,1]=4 7476 B10R0.52 CNC(=O)CC(=O)C(C)(C)F 1458a_100000765255_100000183359 [0,2,0,0,0,0|1,0,1]=4 7477 B10R0.52 CNC(=O)CC(=O)C(C)(C)O 1458a_100000242741_100000183359 [0,2,0,0,0,0|1,0,1]=4 7478 B10R0.52 COC(=O)CC(=O)C(C)(C)C 1458a_106744555173_100000747449 [0,2,0,0,0,0|1,0,1]=4 7479 B10R0.52 COC(=O)CC(=O)C(C)(C)F 1458a_100000765255_100000747449 [0,2,0,0,0,0|1,0,1]=4 7480 B10R0.52 COC(=O)CC(=O)C(C)(C)O 1458a_100000242741_100000747449 [0,2,0,0,0,0|1,0,1]=4 7481 B10R0.52 C[C@@H](CO)CC(=O)C(C)(C)C 1458a_106744555173_100000059175 [0,2,0,0,0,0|1,0,0]=3 7482 B10R0.52 C[C@@H](CO)CC(=O)C(C)(C)F 1458a_100000765255_100000059175 [0,2,0,0,0,0|1,0,0]=3 7483 B10R0.52 C[C@@H](CO)CC(=O)C(C)(C)O 1458a_100000242741_100000059175 [0,2,0,0,0,0|1,0,0]=3 7484 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)C 11a_100102880703_106744555173 [0,2,0,0,0,0|2,0,0]=4 7485 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)C 1626a_100102880703_106744555173 [0,2,0,0,0,0|2,0,0]=4 7486 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)C 240690a_100102880703_106744555173 [0,2,0,0,0,0|2,0,0]=4 7487 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)C 527a_100102880703_106744555173 [0,2,0,0,0,0|2,0,0]=4 7488 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)F 11a_100102880703_100000765255 [0,2,0,0,0,0|2,0,0]=4 7489 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)F 1626a_100102880703_100000765255 [0,2,0,0,0,0|2,0,0]=4 7490 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)F 240690a_100102880703_100000765255 [0,2,0,0,0,0|2,0,0]=4 7491 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)F 527a_100102880703_100000765255 [0,2,0,0,0,0|2,0,0]=4 7492 B10R0.52 C[C@H](CF)NC(=O)C(C)(C)O 240690a_100102880703_100000242741 [0,2,0,0,0,0|2,0,0]=4 7493 B10R0.52 C[C@H](CO)NC(=O)C(C)(C)C 240690a_100000737577_106744555173 [0,2,0,0,0,0|2,0,0]=4 7494 B10R0.52 C[C@H](CO)NC(=O)C(C)(C)C 527a_100000737577_106744555173 [0,2,0,0,0,0|2,0,0]=4 7495 B10R0.52 C[C@H](CO)NC(=O)C(C)(C)F 240690a_100000737577_100000765255 [0,2,0,0,0,0|2,0,0]=4 7496 B10R0.52 C[C@H](CO)NC(=O)C(C)(C)F 527a_100000737577_100000765255 [0,2,0,0,0,0|2,0,0]=4 7497 B10R0.52 C[C@H](CO)NC(=O)C(C)(C)O 240690a_100000737577_100000242741 [0,2,0,0,0,0|2,0,0]=4 7498 B10R0.100 CC(CC#N)C(=O)C(C)(C)C 1458a_106744555173_100009813641 [0,2,0,0,0,0|1,0,1]=4 7499 B10R0.100 CC(CC#N)C(=O)C(C)(C)F 1458a_100000765255_100009813641 [0,2,0,0,0,0|1,0,1]=4 7500 B10R0.100 CC(CC#N)C(=O)C(C)(C)O 1458a_100000242741_100009813641 [0,2,0,0,0,0|1,0,1]=4 7501 B10R0.100 CC(CCO)C(=O)C(C)(C)C 1458a_106744555173_100009893172 [0,2,0,0,0,0|1,0,0]=3 7502 B10R0.100 CC(CCO)C(=O)C(C)(C)F 1458a_100000765255_100009893172 [0,2,0,0,0,0|1,0,0]=3 7503 B10R0.100 CC(CCO)C(=O)C(C)(C)O 1458a_100000242741_100009893172 [0,2,0,0,0,0|1,0,0]=3 7504 B10R0.100 CC(SCF)C(=O)C(C)(C)C 62a_100009893019_100015361967 [0,2,0,0,0,0|2,0,0]=4 7505 B10R0.100 CC(SCF)C(=O)C(C)(C)C 62a_100015361967_100009893019 [0,2,0,0,0,0|2,0,0]=4 7506 B10R0.100 CCCC(C)C(=O)C(C)(C)C 1458a_106744555173_100000766640 [0,2,0,0,0,0|0,0,0]=2 7507 B10R0.100 CCCC(C)C(=O)C(C)(C)F 1458a_100000765255_100000766640 [0,2,0,0,0,0|0,0,0]=2 7508 B10R0.100 CCCC(C)C(=O)C(C)(C)O 1458a_100000242741_100000766640 [0,2,0,0,0,0|0,0,0]=2 7509 B10R0.100 CCCC(C)C(=O)C(F)(F)F 1458a_100000210906_200000243211 [0,2,0,0,0,0|2,0,0]=4 7510 B10R0.100 CCCC(C)C(=O)C(F)(F)F 1458a_100015355933_100000766640 [0,2,0,0,0,0|2,0,0]=4 7511 B10R0.100 CCCC(C)N(C)C(C)(C)C 269982a_100011215553_100000766640 [0,2,0,0,0,0|2,0,0]=4 7512 B10R0.100 CCCC(C)N(C)C(C)(C)C 270004a_100011215553_100000211909 [0,2,0,0,0,0|2,0,0]=4 7513 B10R0.100 CCCN(C)C(=O)C(C)(C)C 11a_100000747261_106744555173 [0,2,0,0,0,0|1,0,0]=3 7514 B10R0.100 CCCN(C)C(=O)C(C)(C)C 1626a_100000747261_106744555173 [0,2,0,0,0,0|1,0,0]=3 7515 B10R0.100 CCCN(C)C(=O)C(C)(C)C 240690a_100000747261_106744555173 [0,2,0,0,0,0|1,0,0]=3 7516 B10R0.100 CCCN(C)C(=O)C(C)(C)C 527a_100000747261_106744555173 [0,2,0,0,0,0|1,0,0]=3 7517 B10R0.100 CCCN(C)C(=O)C(C)(C)F 11a_100000747261_100000765255 [0,2,0,0,0,0|1,0,0]=3 7518 B10R0.100 CCCN(C)C(=O)C(C)(C)F 1626a_100000747261_100000765255 [0,2,0,0,0,0|1,0,0]=3 7519 B10R0.100 CCCN(C)C(=O)C(C)(C)F 240690a_100000747261_100000765255 [0,2,0,0,0,0|1,0,0]=3 7520 B10R0.100 CCCN(C)C(=O)C(C)(C)F 527a_100000747261_100000765255 [0,2,0,0,0,0|1,0,0]=3 7521 B10R0.100 CCCN(C)C(=O)C(C)(C)O 240690a_100000747261_100000242741 [0,2,0,0,0,0|1,0,0]=3 7522 B10R0.100 CCCN(C)C(=O)C(C)(F)F 11a_100000747261_100000042251 [0,2,0,0,0,0|2,0,0]=4 7523 B10R0.100 CCCN(C)C(=O)C(C)(F)F 1626a_100000747261_100000042251 [0,2,0,0,0,0|2,0,0]=4 7524 B10R0.100 CCCN(C)C(=O)C(C)(F)F 240690a_100000747261_100000042251 [0,2,0,0,0,0|2,0,0]=4 7525 B10R0.100 CCCN(C)C(=O)C(C)(F)F 527a_100000747261_100000042251 [0,2,0,0,0,0|2,0,0]=4 7526 B10R0.100 CCC[C@H](O)C(=O)C(F)(F)F 1458a_100009822183_200000243211 [0,2,0,0,0,0|2,0,0]=4 7527 B10R0.100 CCNC(C)C(=O)C(C)(C)C 2230a_100015525214_100009893019 [0,2,0,0,0,0|1,0,0]=3 7528 B10R0.100 CCSC(C)C(=O)C(C)(C)C 62a_100000210202_100009893019 [0,2,0,0,0,0|1,0,0]=3 7529 B10R0.100 CCSC(C)C(=O)C(C)(C)C 62a_100009893019_100000210202 [0,2,0,0,0,0|1,0,0]=3 7530 B10R0.100 CN(CCO)C(=O)C(C)(C)C 240690a_100000210263_106744555173 [0,2,0,0,0,0|2,0,0]=4 7531 B10R0.100 CN(CCO)C(=O)C(C)(C)C 527a_100000210263_106744555173 [0,2,0,0,0,0|2,0,0]=4 7532 B10R0.100 CN(CCO)C(=O)C(C)(C)F 240690a_100000210263_100000765255 [0,2,0,0,0,0|2,0,0]=4 7533 B10R0.100 CN(CCO)C(=O)C(C)(C)F 527a_100000210263_100000765255 [0,2,0,0,0,0|2,0,0]=4 7534 B10R0.100 CN(CCO)C(=O)C(C)(C)O 240690a_100000210263_100000242741 [0,2,0,0,0,0|2,0,0]=4 7535 B10R0.100 COCC(C)C(=O)C(C)(C)C 1458a_106744555173_100000765312 [0,2,0,0,0,0|1,0,0]=3 7536 B10R0.100 COCC(C)C(=O)C(C)(C)F 1458a_100000765255_100000765312 [0,2,0,0,0,0|1,0,0]=3 7537 B10R0.100 COCC(C)C(=O)C(C)(C)O 1458a_100000242741_100000765312 [0,2,0,0,0,0|1,0,0]=3 7538 B10R0.110 CCCCN(CC)C(C)(C)C 2230a_100011200764_100000210211 [0,2,0,0,0,0|2,0,0]=4 7539 B10R0.110 CCCCN(CC)C(C)(C)C 269982a_100000207695_100000210625 [0,2,0,0,0,0|2,0,0]=4 7540 B10R0.110 CCCCN(CC)C(C)(C)C 269982a_100011200764_100000210211 [0,2,0,0,0,0|2,0,0]=4 7541 B10R0.13 C=C(C)C(=O)C(C)CC(C)C 1458a_100000185857_100000731052 [0,2,0,0,0,0|0,0,2]=4 7542 B10R0.13 C=C(C)CN(C)C(=O)C(C)C 11a_100000225649_100000210198 [0,2,0,0,0,0|1,0,1]=4 7543 B10R0.13 C=C(C)CN(C)C(=O)C(C)C 1626a_100000225649_100000210198 [0,2,0,0,0,0|1,0,1]=4 7544 B10R0.13 C=C(C)CN(C)C(=O)C(C)C 527a_100000225649_100000210198 [0,2,0,0,0,0|1,0,1]=4 7545 B10R0.13 CC(=O)N[C@H](C)C(=O)C(C)C 1458a_100011504603_100000210206 [0,2,0,0,0,0|1,0,1]=4 7546 B10R0.13 CC(=O)OC(C)C(=O)C(C)C 1458a_100000210198_100009818208 [0,2,0,0,0,0|1,0,1]=4 7547 B10R0.13 CC(=O)O[C@@H](C)C(=O)C(C)C 1458a_100009816467_100000210206 [0,2,0,0,0,0|1,0,1]=4 7548 B10R0.13 CC(C)C(=O)C(C)CN(C)C 1458a_200015186601_100000210206 [0,2,0,0,0,0|1,0,0]=3 7549 B10R0.13 CC(C)CC(=O)C(=O)N(C)C 1458a_100011218876_100000210624 [0,2,0,0,0,0|1,0,1]=4 7550 B10R0.13 CC(C)CC(C)C(=O)C(C)C 1458a_100000210198_100000731052 [0,2,0,0,0,0|0,0,0]=2 7551 B10R0.13 CC(C)CC(C)C(=O)C(C)F 1458a_100000062450_100000731052 [0,2,0,0,0,0|1,0,0]=3 7552 B10R0.13 CC(C)CC(C)C(=O)C(O)O 1458a_100000233687_100000731052 [0,2,0,0,0,0|2,0,0]=4 7553 B10R0.13 CC(C)CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000731052 [0,2,0,0,0,0|1,0,0]=3 7554 B10R0.13 CC(C)CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000731052 [0,2,0,0,0,0|1,0,0]=3 7555 B10R0.13 CC(C)CC(C)N(C)C(C)C 2230a_100000745462_100000210206 [0,2,0,0,0,0|2,0,0]=4 7556 B10R0.13 CC(C)CC(C)N(C)C(C)C 269982a_100000745462_100000210206 [0,2,0,0,0,0|2,0,0]=4 7557 B10R0.13 CC(C)CC(C)N(C)C(C)C 269982a_200000211004_100000731052 [0,2,0,0,0,0|2,0,0]=4 7558 B10R0.13 CC(C)CN(C)C(=O)C(C)C 11a_100000747067_100000210198 [0,2,0,0,0,0|1,0,0]=3 7559 B10R0.13 CC(C)CN(C)C(=O)C(C)C 1626a_100000747067_100000210198 [0,2,0,0,0,0|1,0,0]=3 7560 B10R0.13 CC(C)CN(C)C(=O)C(C)C 240690a_100000747067_100000210198 [0,2,0,0,0,0|1,0,0]=3 7561 B10R0.13 CC(C)CN(C)C(=O)C(C)C 527a_100000747067_100000210198 [0,2,0,0,0,0|1,0,0]=3 7562 B10R0.13 CC(C)CN(C)C(=O)C(C)F 11a_100000747067_100000062450 [0,2,0,0,0,0|2,0,0]=4 7563 B10R0.13 CC(C)CN(C)C(=O)C(C)F 1626a_100000747067_100000062450 [0,2,0,0,0,0|2,0,0]=4 7564 B10R0.13 CC(C)CN(C)C(=O)C(C)F 240690a_100000747067_100000062450 [0,2,0,0,0,0|2,0,0]=4 7565 B10R0.13 CC(C)CN(C)C(=O)C(C)F 527a_100000747067_100000062450 [0,2,0,0,0,0|2,0,0]=4 7566 B10R0.13 CC(C)CN(C)C(=O)[C@@H](C)O 240690a_100000747067_100000717761 [0,2,0,0,0,0|2,0,0]=4 7567 B10R0.13 CC(C)CN(C)C(=O)[C@H](C)O 1626a_100000747067_217856618621 [0,2,0,0,0,0|2,0,0]=4 7568 B10R0.13 CC(C)CN(C)C(=O)[C@H](C)O 240690a_100000747067_217856618621 [0,2,0,0,0,0|2,0,0]=4 7569 B10R0.13 CC(C)C[C@H](O)C(=O)C(C)C 1458a_100012027011_100000210206 [0,2,0,0,0,0|0,0,0]=2 7570 B10R0.13 CC(C)C[C@H](O)C(=O)N(C)C 1626a_100102631434_100012027011 [0,2,0,0,0,0|1,0,0]=3 7571 B10R0.13 CC(C)C[C@H](O)C(=O)N(C)C 240690a_100102631434_100012027011 [0,2,0,0,0,0|1,0,0]=3 7572 B10R0.13 CC(C)NC(=O)C(=O)C(C)C 1458a_100011220036_100000210206 [0,2,0,0,0,0|1,0,1]=4 7573 B10R0.13 CC(C)NC(C)C(=O)C(C)C 2230a_100138425928_100009893295 [0,2,0,0,0,0|1,0,0]=3 7574 B10R0.13 CC(C)NC(C)C(=O)N(C)C 2230a_100138425928_100000209910 [0,2,0,0,0,0|2,0,0]=4 7575 B10R0.13 CC(C)N[C@@H](C)C(=O)N(C)C 2230a_100000697320_100000210206 [0,2,0,0,0,0|2,0,0]=4 7576 B10R0.13 CC(C)N[C@@H](C)C(=O)N(C)C 34a_100000697320_100000210206 [0,2,0,0,0,0|2,0,0]=4 7577 B10R0.13 CC(C)SC(C)C(=O)C(C)C 62a_100000210206_100009893295 [0,2,0,0,0,0|1,0,0]=3 7578 B10R0.13 CC(C)SC(C)C(=O)C(C)C 62a_100009893295_100000210206 [0,2,0,0,0,0|1,0,0]=3 7579 B10R0.13 CC(C)SC(C)C(=O)N(C)C 62a_100000209910_100000210206 [0,2,0,0,0,0|2,0,0]=4 7580 B10R0.13 CC(C)SC(C)C(=O)N(C)C 62a_100000210206_100000209910 [0,2,0,0,0,0|2,0,0]=4 7581 B10R0.13 CC(CN(C)C)C(=O)N(C)C 1626a_100102631434_200015186601 [0,2,0,0,0,0|2,0,0]=4 7582 B10R0.13 CC(CN(C)C)C(=O)N(C)C 240690a_100102631434_200015186601 [0,2,0,0,0,0|2,0,0]=4 7583 B10R0.13 CC(O)CC(=O)C(=O)N(C)C 1458a_100011218876_100011218427 [0,2,0,0,0,0|1,0,1]=4 7584 B10R0.13 CC(O)CN(C)C(=O)C(C)C 240690a_100000227577_100000210198 [0,2,0,0,0,0|1,0,0]=3 7585 B10R0.13 CC(O)CN(C)C(=O)C(C)C 527a_100000227577_100000210198 [0,2,0,0,0,0|1,0,0]=3 7586 B10R0.13 CC(O)CN(C)C(=O)C(C)F 240690a_100000227577_100000062450 [0,2,0,0,0,0|2,0,0]=4 7587 B10R0.13 CC(O)CN(C)C(=O)C(C)F 527a_100000227577_100000062450 [0,2,0,0,0,0|2,0,0]=4 7588 B10R0.13 CC(O)CN(C)C(=O)[C@@H](C)O 240690a_100000227577_100000717761 [0,2,0,0,0,0|2,0,0]=4 7589 B10R0.13 CC(O)CN(C)C(=O)[C@H](C)O 240690a_100000227577_217856618621 [0,2,0,0,0,0|2,0,0]=4 7590 B10R0.25 C=C(C)C(=O)C(CC)CCC 1458a_100000185857_100011219200 [0,2,0,0,0,0|0,0,2]=4 7591 B10R0.25 CCCC(C#N)N(C)C(C)C 2230a_100000727963_100000210206 [0,2,0,0,0,0|2,0,0]=4 7592 B10R0.25 CCCC(CC)C(=O)C(C)C 1458a_100000210198_100011219200 [0,2,0,0,0,0|0,0,0]=2 7593 B10R0.25 CCCC(CC)C(=O)C(C)C 1458a_100011416436_100000210206 [0,2,0,0,0,0|0,0,0]=2 7594 B10R0.25 CCCC(CC)C(=O)C(C)F 1458a_100000062450_100011219200 [0,2,0,0,0,0|1,0,0]=3 7595 B10R0.25 CCCC(CC)C(=O)C(O)O 1458a_100000233687_100011219200 [0,2,0,0,0,0|2,0,0]=4 7596 B10R0.25 CCCC(CC)C(=O)N(C)C 11a_100102631434_100011416436 [0,2,0,0,0,0|1,0,0]=3 7597 B10R0.25 CCCC(CC)C(=O)N(C)C 1626a_100102631434_100011416436 [0,2,0,0,0,0|1,0,0]=3 7598 B10R0.25 CCCC(CC)C(=O)N(C)C 240690a_100102631434_100011416436 [0,2,0,0,0,0|1,0,0]=3 7599 B10R0.25 CCCC(CC)C(=O)N(C)C 527a_100102631434_100011416436 [0,2,0,0,0,0|1,0,0]=3 7600 B10R0.25 CCCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_100011219200 [0,2,0,0,0,0|1,0,0]=3 7601 B10R0.25 CCCC(CC)C(=O)[C@H](C)O 1458a_217856618621_100011219200 [0,2,0,0,0,0|1,0,0]=3 7602 B10R0.25 CCCC(CC)N(C)C(C)C 269982a_200000211004_100011219200 [0,2,0,0,0,0|2,0,0]=4 7603 B10R0.25 CCCC(CC)N(C)C(C)C 270004a_200000211004_100000687865 [0,2,0,0,0,0|2,0,0]=4 7604 B10R0.25 CCCN(CC)C(=O)C(C)C 11a_100000226822_100000210198 [0,2,0,0,0,0|1,0,0]=3 7605 B10R0.25 CCCN(CC)C(=O)C(C)C 1626a_100000226822_100000210198 [0,2,0,0,0,0|1,0,0]=3 7606 B10R0.25 CCCN(CC)C(=O)C(C)C 240690a_100000226822_100000210198 [0,2,0,0,0,0|1,0,0]=3 7607 B10R0.25 CCCN(CC)C(=O)C(C)C 527a_100000226822_100000210198 [0,2,0,0,0,0|1,0,0]=3 7608 B10R0.25 CCCN(CC)C(=O)C(C)F 11a_100000226822_100000062450 [0,2,0,0,0,0|2,0,0]=4 7609 B10R0.25 CCCN(CC)C(=O)C(C)F 1626a_100000226822_100000062450 [0,2,0,0,0,0|2,0,0]=4 7610 B10R0.25 CCCN(CC)C(=O)C(C)F 240690a_100000226822_100000062450 [0,2,0,0,0,0|2,0,0]=4 7611 B10R0.25 CCCN(CC)C(=O)C(C)F 527a_100000226822_100000062450 [0,2,0,0,0,0|2,0,0]=4 7612 B10R0.25 CCCN(CC)C(=O)[C@@H](C)O 240690a_100000226822_100000717761 [0,2,0,0,0,0|2,0,0]=4 7613 B10R0.25 CCCN(CC)C(=O)[C@H](C)O 1626a_100000226822_217856618621 [0,2,0,0,0,0|2,0,0]=4 7614 B10R0.25 CCCN(CC)C(=O)[C@H](C)O 240690a_100000226822_217856618621 [0,2,0,0,0,0|2,0,0]=4 7615 B10R0.25 CCN(CCO)C(=O)C(C)C 240690a_100000210973_100000210198 [0,2,0,0,0,0|2,0,0]=4 7616 B10R0.25 CCN(CCO)C(=O)C(C)C 527a_100000210973_100000210198 [0,2,0,0,0,0|2,0,0]=4 7617 B10R0.25 CCNC(CC)C(=O)N(C)C 2230a_100015525214_100011763435 [0,2,0,0,0,0|2,0,0]=4 7618 B10R0.25 CCN[C@H](CC)C(=O)N(C)C 2230a_100102699731_100000210202 [0,2,0,0,0,0|2,0,0]=4 7619 B10R0.25 CCN[C@H](CC)C(=O)N(C)C 34a_100102699731_100000210202 [0,2,0,0,0,0|2,0,0]=4 7620 B10R0.25 CCOC(CC)C(=O)N(C)C 34a_100121572206_100011763435 [0,2,0,0,0,0|2,0,0]=4 7621 B10R0.25 CCSC(CC)C(=O)N(C)C 62a_100000210202_100011763435 [0,2,0,0,0,0|2,0,0]=4 7622 B10R0.25 CCSC(CC)C(=O)N(C)C 62a_100011763435_100000210202 [0,2,0,0,0,0|2,0,0]=4 7623 B10R0.35 C#CC(C)C(=O)C(C)CCC 1458a_100000210906_200000035995 [0,2,0,0,0,0|0,0,1]=3 7624 B10R0.35 C#CC(C)C(=O)C(C)COC 1458a_100000751857_200000035995 [0,2,0,0,0,0|1,0,1]=4 7625 B10R0.35 C#CC(C)C(=O)C(C)CSC 1458a_100000753918_200000035995 [0,2,0,0,0,0|1,0,1]=4 7626 B10R0.35 C#CC(C)C(=O)C(C)OCC 1458a_100000739345_200000035995 [0,2,0,0,0,0|1,0,1]=4 7627 B10R0.35 C#CC(C)C(=O)C(C)SCC 1458a_100000230601_200000035995 [0,2,0,0,0,0|1,0,1]=4 7628 B10R0.35 C#CC(C)C(=O)[C@@H](O)CCC 1458a_100009822183_200000035995 [0,2,0,0,0,0|0,0,1]=3 7629 B10R0.35 C/C=C(\C)/C(=O)C(C)CCC 1458a_100020587367_100000766640 [0,2,0,0,0,0|0,0,1]=3 7630 B10R0.35 C/C=C(\C)/C(=O)C(C)CCO 1458a_100020587367_100009893172 [0,2,0,0,0,0|1,0,1]=4 7631 B10R0.35 C/C=C(\C)/C(=O)C(C)COC 1458a_100020587367_100000765312 [0,2,0,0,0,0|1,0,1]=4 7632 B10R0.35 C/C=C(\C)/C(=O)N(C)CCC 11a_100000747261_100020587367 [0,2,0,0,0,0|1,0,1]=4 7633 B10R0.35 C/C=C(\C)/C(=O)N(C)CCC 1626a_100000747261_100020587367 [0,2,0,0,0,0|1,0,1]=4 7634 B10R0.35 C=CC(C)C(=O)C(C)CCC 1458a_100011216780_100000766640 [0,2,0,0,0,0|0,0,1]=3 7635 B10R0.35 C=CC(C)C(=O)C(C)CCO 1458a_100011216780_100009893172 [0,2,0,0,0,0|1,0,1]=4 7636 B10R0.35 C=CC(C)C(=O)C(C)COC 1458a_100011216780_100000765312 [0,2,0,0,0,0|1,0,1]=4 7637 B10R0.35 C=CC(C)C(=O)N(C)CCC 11a_100000747261_100011216780 [0,2,0,0,0,0|1,0,1]=4 7638 B10R0.35 C=CC(C)C(=O)N(C)CCC 1626a_100000747261_100011216780 [0,2,0,0,0,0|1,0,1]=4 7639 B10R0.35 C=CC(C)C(=O)N(C)CCC 240690a_100000747261_100011216780 [0,2,0,0,0,0|1,0,1]=4 7640 B10R0.35 C=CC(C)C(=O)N(C)CCC 527a_100000747261_100011216780 [0,2,0,0,0,0|1,0,1]=4 7641 B10R0.35 C=CCC(C)C(=O)C(C)CC 1458a_100011216819_100000758301 [0,2,0,0,0,0|0,0,2]=4 7642 B10R0.35 CC(C#N)C(=O)C(C)CCO 1458a_100000753662_100009893172 [0,2,0,0,0,0|1,0,1]=4 7643 B10R0.35 CC(CCO)C(=O)C(O)CO 1458a_100011215603_100009893172 [0,2,0,0,0,0|2,0,0]=4 7644 B10R0.35 CC/C=C(\C)/C(=O)C(C)CC 1458a_100016988807_100000758301 [0,2,0,0,0,0|0,0,2]=4 7645 B10R0.35 CCC(C)C(=O)C(C)CC#N 1458a_100011192722_100009813641 [0,2,0,0,0,0|1,0,1]=4 7646 B10R0.35 CCC(C)C(=O)C(C)CCO 1458a_100011192722_100009893172 [0,2,0,0,0,0|1,0,0]=3 7647 B10R0.35 CCC(C)C(=O)C(C)COC 1458a_100000751857_100000758301 [0,2,0,0,0,0|1,0,0]=3 7648 B10R0.35 CCC(C)C(=O)C(C)COC 1458a_100011192722_100000765312 [0,2,0,0,0,0|1,0,0]=3 7649 B10R0.35 CCC(C)C(=O)C(C)CSC 1458a_100000753918_100000758301 [0,2,0,0,0,0|1,0,0]=3 7650 B10R0.35 CCC(C)C(=O)N(C)CCO 240690a_100000210263_100011192722 [0,2,0,0,0,0|2,0,0]=4 7651 B10R0.35 CCC(C)C(=O)N(C)CCO 527a_100000210263_100011192722 [0,2,0,0,0,0|2,0,0]=4 7652 B10R0.35 CCC(O)C(=O)C(C)CCO 1458a_100011196387_100009893172 [0,2,0,0,0,0|2,0,0]=4 7653 B10R0.35 CCC(O)C(=O)C(C)COC 1458a_100011196387_100000765312 [0,2,0,0,0,0|2,0,0]=4 7654 B10R0.35 CCCC(C)C(=O)C(=O)NC 1458a_100011218921_100000766640 [0,2,0,0,0,0|1,0,1]=4 7655 B10R0.35 CCCC(C)C(=O)C(C)C#N 1458a_100000210906_100000703298 [0,2,0,0,0,0|0,0,1]=3 7656 B10R0.35 CCCC(C)C(=O)C(C)C#N 1458a_100000753662_100000766640 [0,2,0,0,0,0|0,0,1]=3 7657 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100000210906_100000758301 [0,2,0,0,0,0|0,0,0]=2 7658 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100011192722_100000766640 [0,2,0,0,0,0|0,0,0]=2 7659 B10R0.35 CCCC(C)C(=O)C(C)OC 1458a_100000743197_100000766640 [0,2,0,0,0,0|0,0,0]=2 7660 B10R0.35 CCCC(C)C(=O)C(C)SC 1458a_100000149566_100000766640 [0,2,0,0,0,0|0,0,0]=2 7661 B10R0.35 CCCC(C)C(=O)C(O)CC 1458a_100011196387_100000766640 [0,2,0,0,0,0|1,0,0]=3 7662 B10R0.35 CCCC(C)C(=O)C(O)CO 1458a_100011215603_100000766640 [0,2,0,0,0,0|1,0,0]=3 7663 B10R0.35 CCCC(C)C(=O)N(C)CC 11a_100000225621_100000210906 [0,2,0,0,0,0|1,0,0]=3 7664 B10R0.35 CCCC(C)C(=O)N(C)CC 1626a_100000225621_100000210906 [0,2,0,0,0,0|1,0,0]=3 7665 B10R0.35 CCCC(C)C(=O)N(C)CC 240690a_100000225621_100000210906 [0,2,0,0,0,0|1,0,0]=3 7666 B10R0.35 CCCC(C)C(=O)N(C)CC 527a_100000225621_100000210906 [0,2,0,0,0,0|1,0,0]=3 7667 B10R0.35 CCCC(C)N(C)C(C)CC 2230a_100000741768_100000766640 [0,2,0,0,0,0|2,0,0]=4 7668 B10R0.35 CCCC(C)N(C)C(C)CC 269982a_100000741768_100000766640 [0,2,0,0,0,0|2,0,0]=4 7669 B10R0.35 CCCC(C)N(C)C(C)CC 270004a_100000741768_100000211909 [0,2,0,0,0,0|2,0,0]=4 7670 B10R0.35 CCCC(C)N(C)C(C)CO 2230a_100000693034_100000766640 [0,2,0,0,0,0|2,0,0]=4 7671 B10R0.35 CCCC(C)N(C)C(C)CO 269982a_100000693034_100000766640 [0,2,0,0,0,0|2,0,0]=4 7672 B10R0.35 CCCC(C)N(C)C(C)CO 270004a_100000693034_100000211909 [0,2,0,0,0,0|2,0,0]=4 7673 B10R0.35 CCCN(C)C(=O)C(C)C#N 11a_100000747261_100000753662 [0,2,0,0,0,0|1,0,1]=4 7674 B10R0.35 CCCN(C)C(=O)C(C)C#N 1626a_100000747261_100000753662 [0,2,0,0,0,0|1,0,1]=4 7675 B10R0.35 CCCN(C)C(=O)C(C)C#N 240690a_100000747261_100000753662 [0,2,0,0,0,0|1,0,1]=4 7676 B10R0.35 CCCN(C)C(=O)C(C)C#N 527a_100000747261_100000753662 [0,2,0,0,0,0|1,0,1]=4 7677 B10R0.35 CCCN(C)C(=O)C(C)CC 11a_100000747261_100011192722 [0,2,0,0,0,0|1,0,0]=3 7678 B10R0.35 CCCN(C)C(=O)C(C)CC 1626a_100000747261_100011192722 [0,2,0,0,0,0|1,0,0]=3 7679 B10R0.35 CCCN(C)C(=O)C(C)CC 240690a_100000747261_100011192722 [0,2,0,0,0,0|1,0,0]=3 7680 B10R0.35 CCCN(C)C(=O)C(C)CC 527a_100000747261_100011192722 [0,2,0,0,0,0|1,0,0]=3 7681 B10R0.35 CCCN(C)C(=O)C(C)OC 11a_100000747261_100000743197 [0,2,0,0,0,0|1,0,0]=3 7682 B10R0.35 CCCN(C)C(=O)C(C)OC 1626a_100000747261_100000743197 [0,2,0,0,0,0|1,0,0]=3 7683 B10R0.35 CCCN(C)C(=O)C(C)OC 240690a_100000747261_100000743197 [0,2,0,0,0,0|1,0,0]=3 7684 B10R0.35 CCCN(C)C(=O)C(C)OC 527a_100000747261_100000743197 [0,2,0,0,0,0|1,0,0]=3 7685 B10R0.35 CCCN(C)C(=O)C(C)SC 11a_100000747261_100000149566 [0,2,0,0,0,0|1,0,0]=3 7686 B10R0.35 CCCN(C)C(=O)C(C)SC 1626a_100000747261_100000149566 [0,2,0,0,0,0|1,0,0]=3 7687 B10R0.35 CCCN(C)C(=O)C(C)SC 240690a_100000747261_100000149566 [0,2,0,0,0,0|1,0,0]=3 7688 B10R0.35 CCCN(C)C(=O)C(C)SC 527a_100000747261_100000149566 [0,2,0,0,0,0|1,0,0]=3 7689 B10R0.35 CCCN(C)C(=O)C(O)CC 240690a_100000747261_100011196387 [0,2,0,0,0,0|2,0,0]=4 7690 B10R0.35 CCCN(C)C(=O)C(O)CO 240690a_100000747261_100011215603 [0,2,0,0,0,0|2,0,0]=4 7691 B10R0.35 CCC[C@H](O)C(=O)C(C)C#N 1458a_100009822183_100000703298 [0,2,0,0,0,0|0,0,1]=3 7692 B10R0.35 CCC[C@H](O)C(=O)C(C)CC 1458a_100009822183_100000758301 [0,2,0,0,0,0|0,0,0]=2 7693 B10R0.35 CCC[C@H](O)C(=O)N(C)CC 240690a_100000225621_100009822183 [0,2,0,0,0,0|1,0,0]=3 7694 B10R0.35 CCN(C)C(=O)C(C)COC 11a_100000225621_100000751857 [0,2,0,0,0,0|2,0,0]=4 7695 B10R0.35 CCN(C)C(=O)C(C)COC 1626a_100000225621_100000751857 [0,2,0,0,0,0|2,0,0]=4 7696 B10R0.35 CCN(C)C(=O)C(C)COC 240690a_100000225621_100000751857 [0,2,0,0,0,0|2,0,0]=4 7697 B10R0.35 CCN(C)C(=O)C(C)COC 527a_100000225621_100000751857 [0,2,0,0,0,0|2,0,0]=4 7698 B10R0.35 CCN(C)C(=O)C(C)CSC 11a_100000225621_100000753918 [0,2,0,0,0,0|2,0,0]=4 7699 B10R0.35 CCN(C)C(=O)C(C)CSC 1626a_100000225621_100000753918 [0,2,0,0,0,0|2,0,0]=4 7700 B10R0.35 CCN(C)C(=O)C(C)CSC 240690a_100000225621_100000753918 [0,2,0,0,0,0|2,0,0]=4 7701 B10R0.35 CCN(C)C(=O)C(C)CSC 527a_100000225621_100000753918 [0,2,0,0,0,0|2,0,0]=4 7702 B10R0.35 CCNC(=O)C(=O)C(C)CC 1458a_200011297158_100000758301 [0,2,0,0,0,0|1,0,1]=4 7703 B10R0.35 CCNC(C)C(=O)N(C)CC 2230a_100015525214_200012002205 [0,2,0,0,0,0|2,0,0]=4 7704 B10R0.35 CCNC(C)C(=O)N(C)OC 269862a_100015525214_100000090643 [0,2,0,0,0,0|2,0,0]=4 7705 B10R0.35 CCOC(=O)C(=O)C(C)NC 2230a_106832991635_100010256902 [0,2,0,0,0,0|1,0,1]=4 7706 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_100010256902_200000210301 [0,2,0,0,0,0|1,0,1]=4 7707 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_200000210301_100010256902 [0,2,0,0,0,0|1,0,1]=4 7708 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_100010256902_200025704644 [0,2,0,0,0,0|1,0,1]=4 7709 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100010256902 [0,2,0,0,0,0|1,0,1]=4 7710 B10R0.35 CCOC(C)C(=O)C(C)C#N 1458a_100000739345_100000703298 [0,2,0,0,0,0|1,0,1]=4 7711 B10R0.35 CCOC(C)C(=O)C(C)CC 1458a_100000739345_100000758301 [0,2,0,0,0,0|1,0,0]=3 7712 B10R0.35 CCOC(C)C(=O)N(C)CC 11a_100000225621_100000739345 [0,2,0,0,0,0|2,0,0]=4 7713 B10R0.35 CCOC(C)C(=O)N(C)CC 1626a_100000225621_100000739345 [0,2,0,0,0,0|2,0,0]=4 7714 B10R0.35 CCOC(C)C(=O)N(C)CC 240690a_100000225621_100000739345 [0,2,0,0,0,0|2,0,0]=4 7715 B10R0.35 CCOC(C)C(=O)N(C)CC 34a_100121572206_200012002205 [0,2,0,0,0,0|2,0,0]=4 7716 B10R0.35 CCOC(C)C(=O)N(C)CC 527a_100000225621_100000739345 [0,2,0,0,0,0|2,0,0]=4 7717 B10R0.35 CCSC(C)C(=O)C(C)C#N 1458a_100000230601_100000703298 [0,2,0,0,0,0|1,0,1]=4 7718 B10R0.35 CCSC(C)C(=O)C(C)CC 1458a_100000230601_100000758301 [0,2,0,0,0,0|1,0,0]=3 7719 B10R0.35 CCSC(C)C(=O)N(C)CC 11a_100000225621_100000230601 [0,2,0,0,0,0|2,0,0]=4 7720 B10R0.35 CCSC(C)C(=O)N(C)CC 1626a_100000225621_100000230601 [0,2,0,0,0,0|2,0,0]=4 7721 B10R0.35 CCSC(C)C(=O)N(C)CC 240690a_100000225621_100000230601 [0,2,0,0,0,0|2,0,0]=4 7722 B10R0.35 CCSC(C)C(=O)N(C)CC 527a_100000225621_100000230601 [0,2,0,0,0,0|2,0,0]=4 7723 B10R0.35 CCSC(C)C(=O)N(C)CC 62a_100000210202_200012002205 [0,2,0,0,0,0|2,0,0]=4 7724 B10R0.35 CCSC(C)C(=O)N(C)CC 62a_200012002205_100000210202 [0,2,0,0,0,0|2,0,0]=4 7725 B10R0.35 COC(C)C(=O)C(C)CC#N 1458a_100000743197_100009813641 [0,2,0,0,0,0|1,0,1]=4 7726 B10R0.35 COC(C)C(=O)C(C)CCO 1458a_100000743197_100009893172 [0,2,0,0,0,0|1,0,0]=3 7727 B10R0.35 COC(C)C(=O)N(C)CCO 240690a_100000210263_100000743197 [0,2,0,0,0,0|2,0,0]=4 7728 B10R0.35 COC(C)C(=O)N(C)CCO 527a_100000210263_100000743197 [0,2,0,0,0,0|2,0,0]=4 7729 B10R0.35 COCC(C)C(=O)C(C)C#N 1458a_100000751857_100000703298 [0,2,0,0,0,0|1,0,1]=4 7730 B10R0.35 COCC(C)C(=O)C(C)C#N 1458a_100000753662_100000765312 [0,2,0,0,0,0|1,0,1]=4 7731 B10R0.35 COCC(C)C(=O)C(C)OC 1458a_100000743197_100000765312 [0,2,0,0,0,0|1,0,0]=3 7732 B10R0.35 COCC(C)C(=O)C(C)SC 1458a_100000149566_100000765312 [0,2,0,0,0,0|1,0,0]=3 7733 B10R0.35 COCC(C)C(=O)C(O)CO 1458a_100011215603_100000765312 [0,2,0,0,0,0|2,0,0]=4 7734 B10R0.35 CSC(C)C(=O)C(C)CC#N 1458a_100000149566_100009813641 [0,2,0,0,0,0|1,0,1]=4 7735 B10R0.35 CSC(C)C(=O)C(C)CCO 1458a_100000149566_100009893172 [0,2,0,0,0,0|1,0,0]=3 7736 B10R0.35 CSC(C)C(=O)N(C)CCO 240690a_100000210263_100000149566 [0,2,0,0,0,0|2,0,0]=4 7737 B10R0.35 CSC(C)C(=O)N(C)CCO 527a_100000210263_100000149566 [0,2,0,0,0,0|2,0,0]=4 7738 B10R0.35 CSCC(C)C(=O)C(C)C#N 1458a_100000753918_100000703298 [0,2,0,0,0,0|1,0,1]=4 7739 B10R0.36 CCCC(C)S(=O)(=O)N(C)C 270084a_100102631434_100000718301 [0,2,0,0,0,0|2,0,0]=4 7740 B10R0.36 CCCC(C)S(=O)(=O)N(C)C 274078a_100102631434_100000718301 [0,2,0,0,0,0|2,0,0]=4 7741 B10R0.36 CCCN(C)S(=O)(=O)C(C)C 270084a_100000747261_100000742656 [0,2,0,0,0,0|2,0,0]=4 7742 B10R0.36 CCCN(C)S(=O)(=O)C(C)C 274078a_100000747261_100000742656 [0,2,0,0,0,0|2,0,0]=4 7743 B10R0.56 CC(C)C(=O)C(C)C(=O)CO 1458a_100000210174_100009893295 [0,2,0,0,0,0|1,0,1]=4 7744 B10R0.56 CC(C)C(=O)N(C)C(C)CO 240690a_100000693034_100000210198 [0,2,0,0,0,0|2,0,0]=4 7745 B10R0.56 CC(C)C(=O)N(C)C(C)CO 527a_100000693034_100000210198 [0,2,0,0,0,0|2,0,0]=4 7746 B10R0.56 CC(C)C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210206 [0,2,0,0,0,0|1,0,0]=3 7747 B10R0.56 CCC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000742827 [0,2,0,0,0,0|0,0,1]=3 7748 B10R0.56 CCC(=O)C(C)C(=O)C(C)C 1458a_100000210414_100009893295 [0,2,0,0,0,0|0,0,1]=3 7749 B10R0.56 CCC(=O)C(C)C(=O)C(C)F 1458a_100000062450_100000742827 [0,2,0,0,0,0|1,0,1]=4 7750 B10R0.56 CCC(=O)C(C)C(=O)N(C)C 1458a_100000210414_100000209910 [0,2,0,0,0,0|1,0,1]=4 7751 B10R0.56 CCC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100000742827 [0,2,0,0,0,0|1,0,1]=4 7752 B10R0.56 CCC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100000742827 [0,2,0,0,0,0|1,0,1]=4 7753 B10R0.56 CCC(C)C(=O)C(=O)N(C)C 1458a_100011218876_100000758301 [0,2,0,0,0,0|1,0,1]=4 7754 B10R0.56 CCC(C)C(C)N(C)C(C)C 270004a_200000211004_100000210599 [0,2,0,0,0,0|2,0,0]=4 7755 B10R0.56 CCC(C)N(C)C(=O)C(C)C 11a_100000741768_100000210198 [0,2,0,0,0,0|1,0,0]=3 7756 B10R0.56 CCC(C)N(C)C(=O)C(C)C 1626a_100000741768_100000210198 [0,2,0,0,0,0|1,0,0]=3 7757 B10R0.56 CCC(C)N(C)C(=O)C(C)C 240690a_100000741768_100000210198 [0,2,0,0,0,0|1,0,0]=3 7758 B10R0.56 CCC(C)N(C)C(=O)C(C)C 527a_100000741768_100000210198 [0,2,0,0,0,0|1,0,0]=3 7759 B10R0.56 CCC(C)N(C)C(=O)C(C)F 11a_100000741768_100000062450 [0,2,0,0,0,0|2,0,0]=4 7760 B10R0.56 CCC(C)N(C)C(=O)C(C)F 1626a_100000741768_100000062450 [0,2,0,0,0,0|2,0,0]=4 7761 B10R0.56 CCC(C)N(C)C(=O)C(C)F 240690a_100000741768_100000062450 [0,2,0,0,0,0|2,0,0]=4 7762 B10R0.56 CCC(C)N(C)C(=O)C(C)F 527a_100000741768_100000062450 [0,2,0,0,0,0|2,0,0]=4 7763 B10R0.56 CCC(C)N(C)C(=O)[C@@H](C)O 240690a_100000741768_100000717761 [0,2,0,0,0,0|2,0,0]=4 7764 B10R0.56 CCC(C)N(C)C(=O)[C@H](C)O 1626a_100000741768_217856618621 [0,2,0,0,0,0|2,0,0]=4 7765 B10R0.56 CCC(C)N(C)C(=O)[C@H](C)O 240690a_100000741768_217856618621 [0,2,0,0,0,0|2,0,0]=4 7766 B10R0.56 CCN(C)C(C)C(=O)C(C)C 1458a_100011281945_100000210206 [0,2,0,0,0,0|1,0,0]=3 7767 B10R0.56 CCN(C)C(C)C(=O)C(C)C 2230a_100000225621_100009893295 [0,2,0,0,0,0|1,0,0]=3 7768 B10R0.56 CCN(C)C(C)C(=O)C(C)C 269982a_100000225621_100009893295 [0,2,0,0,0,0|1,0,0]=3 7769 B10R0.56 CCN(C)C(C)C(=O)N(C)C 2230a_100000225621_100000209910 [0,2,0,0,0,0|2,0,0]=4 7770 B10R0.56 CCN(C)C(C)C(=O)N(C)C 240690a_100102631434_100011281945 [0,2,0,0,0,0|2,0,0]=4 7771 B10R0.56 CCN(C)C(C)C(=O)N(C)C 269982a_100000225621_100000209910 [0,2,0,0,0,0|2,0,0]=4 7772 B10R0.56 CCN(C)C(C)C(=O)N(C)C 527a_100102631434_100011281945 [0,2,0,0,0,0|2,0,0]=4 7773 B10R0.56 CN(C)C(=O)[C@H](O)[C@H](O)CO 240690a_100102631434_100015448053 [0,2,0,0,0,0|2,0,0]=4 7774 B10R0.56 CNC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000209862 [0,2,0,0,0,0|1,0,1]=4 7775 B10R0.56 CNC(=O)C(F)C(=O)C(C)C 1458a_100000210198_100009813575 [0,2,0,0,0,0|1,0,1]=4 7776 B10R0.56 COC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000211248 [0,2,0,0,0,0|1,0,1]=4 7777 B10R0.56 COC(=O)C(C)C(=O)C(C)C 1458a_100012027023_100000210206 [0,2,0,0,0,0|1,0,1]=4 7778 B10R0.101 CCCC(C)C(OC)C(C)C 34a_200011290769_200000210301 [0,2,0,0,0,0|0,0,2]=4 7779 B10R0.101 CCCC(C)C(OC)C(C)C 7a_200011290769_200000210301 [0,2,0,0,0,0|0,0,2]=4 7780 B10R0.101 CCCC(C)C(O[13CH3])C(C)C 34a_200011290769_200025704644 [0,2,0,0,0,0|0,0,2]=4 7781 B10R0.101 CCCC(C)C(O[13CH3])C(C)C 7a_200011290769_200025704644 [0,2,0,0,0,0|0,0,2]=4 7782 B10R0.101 CCCC(C)N(CC)C(C)C 2230a_100000223864_100000766640 [0,2,0,0,0,0|2,0,0]=4 7783 B10R0.101 CCCC(C)N(CC)C(C)C 269982a_100000223864_100000766640 [0,2,0,0,0,0|2,0,0]=4 7784 B10R0.101 CCCC(C)N(CC)C(C)C 270004a_100000223864_100000211909 [0,2,0,0,0,0|2,0,0]=4 7785 B10R0.104 C=CCC(C)(C)C(=O)C(C)C 1458a_100000705796_100000210206 [0,2,0,0,0,0|0,0,2]=4 7786 B10R0.104 C=CCC(F)(F)C(=O)C(C)C 1458a_100000062105_100000210206 [0,2,0,0,0,0|0,0,2]=4 7787 B10R0.104 CCCC(C)(C)C(=O)C(C)C 1458a_100011215034_100000210206 [0,2,0,0,0,0|0,0,0]=2 7788 B10R0.104 CCCC(C)(C)C(=O)N(C)C 11a_100102631434_100011215034 [0,2,0,0,0,0|1,0,0]=3 7789 B10R0.104 CCCC(C)(C)C(=O)N(C)C 1626a_100102631434_100011215034 [0,2,0,0,0,0|1,0,0]=3 7790 B10R0.104 CCCC(C)(C)C(=O)N(C)C 240690a_100102631434_100011215034 [0,2,0,0,0,0|1,0,0]=3 7791 B10R0.104 CCCC(C)(C)C(=O)N(C)C 527a_100102631434_100011215034 [0,2,0,0,0,0|1,0,0]=3 7792 B10R0.104 CCNC(C)(C)C(=O)N(C)C 2230a_100015183228_100000210202 [0,2,0,0,0,0|2,0,0]=4 7793 B10R0.104 CCNC(C)(C)C(=O)N(C)C 2230a_100015525214_100012457959 [0,2,0,0,0,0|2,0,0]=4 7794 B10R0.104 CCNC(C)(C)C(=O)N(C)C 34a_100015183228_100000210202 [0,2,0,0,0,0|2,0,0]=4 7795 B10R0.104 CCOC(C)(C)C(=O)C(C)C 1458a_100011458965_100000210206 [0,2,0,0,0,0|1,0,0]=3 7796 B10R0.104 CCOC(C)(C)C(=O)N(C)C 11a_100102631434_100011458965 [0,2,0,0,0,0|2,0,0]=4 7797 B10R0.104 CCOC(C)(C)C(=O)N(C)C 1626a_100102631434_100011458965 [0,2,0,0,0,0|2,0,0]=4 7798 B10R0.104 CCOC(C)(C)C(=O)N(C)C 240690a_100102631434_100011458965 [0,2,0,0,0,0|2,0,0]=4 7799 B10R0.104 CCOC(C)(C)C(=O)N(C)C 527a_100102631434_100011458965 [0,2,0,0,0,0|2,0,0]=4 7800 B10R0.104 CCSC(C)(C)C(=O)N(C)C 62a_100000210202_100012457959 [0,2,0,0,0,0|2,0,0]=4 7801 B10R0.104 CCSC(C)(C)C(=O)N(C)C 62a_100012457959_100000210202 [0,2,0,0,0,0|2,0,0]=4 7802 B10R0.43 CC(C)CCS(=O)(=O)N(C)C 270084a_100102631434_100000750698 [0,2,0,0,0,0|2,0,0]=4 7803 B10R0.43 CC(C)CCS(=O)(=O)N(C)C 274078a_100102631434_100000750698 [0,2,0,0,0,0|2,0,0]=4 7804 B10R0.43 CC(C)CNS(=O)(=O)C(C)C 270084a_100000210953_100000742656 [0,2,0,0,0,0|2,0,0]=4 7805 B10R0.43 CC(C)CNS(=O)(=O)C(C)C 274078a_100000210953_100000742656 [0,2,0,0,0,0|2,0,0]=4 7806 B10R0.43 CC(O)CNS(=O)(=O)C(C)C 270084a_100000210904_100000742656 [0,2,0,0,0,0|2,0,0]=4 7807 B10R0.43 CC(O)CNS(=O)(=O)C(C)C 274078a_100000210904_100000742656 [0,2,0,0,0,0|2,0,0]=4 7808 B10R0.57 C#CC(C)C(=O)CCC(=C)C 1458a_200000688413_200000035995 [0,2,0,0,0,0|0,0,2]=4 7809 B10R0.57 C#CC(C)C(=O)CCC(C)C 1458a_100000181311_200000035995 [0,2,0,0,0,0|0,0,1]=3 7810 B10R0.57 C#CC(C)C(=O)CC[S+](C)C 1458a_100009452791_200000035995 [0,2,0,0,0,0|1,0,1]=4 7811 B10R0.57 C#CC(C)C(=O)COC(C)C 1458a_100000745533_200000035995 [0,2,0,0,0,0|1,0,1]=4 7812 B10R0.57 C#CC(C)C(=O)CSC(C)C 1458a_100000241585_200000035995 [0,2,0,0,0,0|1,0,1]=4 7813 B10R0.57 C/C=C(\C)/C(=O)CCC(C)C 1458a_100020587367_100000210312 [0,2,0,0,0,0|0,0,1]=3 7814 B10R0.57 C/C=C(\C)/C(=O)CCC(C)O 1458a_100020587367_100012276601 [0,2,0,0,0,0|0,0,1]=3 7815 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 11a_100000210953_100020587367 [0,2,0,0,0,0|1,0,1]=4 7816 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 1626a_100000210953_100020587367 [0,2,0,0,0,0|1,0,1]=4 7817 B10R0.57 C/C=C(\C)/C(=O)NCC(C)O 11a_100000210904_100020587367 [0,2,0,0,0,0|1,0,1]=4 7818 B10R0.57 C=C(C)CCC(=O)/C(=C/C)/C 1458a_100020587367_100000730704 [0,2,0,0,0,0|0,0,2]=4 7819 B10R0.57 C=C(C)CCC(=O)C(C)C#N 1458a_100000753662_100000730704 [0,2,0,0,0,0|0,0,2]=4 7820 B10R0.57 C=C(C)CCC(=O)C(C)C#N 1458a_200000688413_100000703298 [0,2,0,0,0,0|0,0,2]=4 7821 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_100011192722_100000730704 [0,2,0,0,0,0|0,0,1]=3 7822 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_200000688413_100000758301 [0,2,0,0,0,0|0,0,1]=3 7823 B10R0.57 C=C(C)CCC(=O)C(C)OC 1458a_100000743197_100000730704 [0,2,0,0,0,0|0,0,1]=3 7824 B10R0.57 C=C(C)CCC(=O)C(C)SC 1458a_100000149566_100000730704 [0,2,0,0,0,0|0,0,1]=3 7825 B10R0.57 C=C(C)CCC(=O)C(O)CC 1458a_100011196387_100000730704 [0,2,0,0,0,0|1,0,1]=4 7826 B10R0.57 C=C(C)CCC(=O)C(O)CO 1458a_100011215603_100000730704 [0,2,0,0,0,0|1,0,1]=4 7827 B10R0.57 C=C(C)CCC(=O)N(C)CC 11a_100000225621_200000688413 [0,2,0,0,0,0|1,0,1]=4 7828 B10R0.57 C=C(C)CCC(=O)N(C)CC 1626a_100000225621_200000688413 [0,2,0,0,0,0|1,0,1]=4 7829 B10R0.57 C=C(C)CCC(=O)N(C)CC 240690a_100000225621_200000688413 [0,2,0,0,0,0|1,0,1]=4 7830 B10R0.57 C=C(C)CCC(=O)N(C)CC 527a_100000225621_200000688413 [0,2,0,0,0,0|1,0,1]=4 7831 B10R0.57 C=C(C)CNC(=O)C(C)CC 11a_100000765925_100011192722 [0,2,0,0,0,0|1,0,1]=4 7832 B10R0.57 C=C(C)CNC(=O)C(C)CC 1626a_100000765925_100011192722 [0,2,0,0,0,0|1,0,1]=4 7833 B10R0.57 C=C(C)CNC(=O)C(C)CC 240690a_100000765925_100011192722 [0,2,0,0,0,0|1,0,1]=4 7834 B10R0.57 C=C(C)CNC(=O)C(C)CC 527a_100000765925_100011192722 [0,2,0,0,0,0|1,0,1]=4 7835 B10R0.57 C=C(C)CNC(=O)C(C)OC 11a_100000765925_100000743197 [0,2,0,0,0,0|1,0,1]=4 7836 B10R0.57 C=C(C)CNC(=O)C(C)OC 1626a_100000765925_100000743197 [0,2,0,0,0,0|1,0,1]=4 7837 B10R0.57 C=C(C)CNC(=O)C(C)OC 240690a_100000765925_100000743197 [0,2,0,0,0,0|1,0,1]=4 7838 B10R0.57 C=C(C)CNC(=O)C(C)OC 527a_100000765925_100000743197 [0,2,0,0,0,0|1,0,1]=4 7839 B10R0.57 C=C(C)CNC(=O)C(C)SC 11a_100000765925_100000149566 [0,2,0,0,0,0|1,0,1]=4 7840 B10R0.57 C=C(C)CNC(=O)C(C)SC 1626a_100000765925_100000149566 [0,2,0,0,0,0|1,0,1]=4 7841 B10R0.57 C=C(C)CNC(=O)C(C)SC 240690a_100000765925_100000149566 [0,2,0,0,0,0|1,0,1]=4 7842 B10R0.57 C=C(C)CNC(=O)C(C)SC 527a_100000765925_100000149566 [0,2,0,0,0,0|1,0,1]=4 7843 B10R0.57 C=CC(C)C(=O)CCC(=C)C 1458a_100011216780_100000730704 [0,2,0,0,0,0|0,0,2]=4 7844 B10R0.57 C=CC(C)C(=O)CCC(C)C 1458a_100011216780_100000210312 [0,2,0,0,0,0|0,0,1]=3 7845 B10R0.57 C=CC(C)C(=O)CCC(C)O 1458a_100011216780_100012276601 [0,2,0,0,0,0|0,0,1]=3 7846 B10R0.57 C=CC(C)C(=O)NCC(C)C 11a_100000210953_100011216780 [0,2,0,0,0,0|1,0,1]=4 7847 B10R0.57 C=CC(C)C(=O)NCC(C)C 1626a_100000210953_100011216780 [0,2,0,0,0,0|1,0,1]=4 7848 B10R0.57 C=CC(C)C(=O)NCC(C)C 240690a_100000210953_100011216780 [0,2,0,0,0,0|1,0,1]=4 7849 B10R0.57 C=CC(C)C(=O)NCC(C)C 527a_100000210953_100011216780 [0,2,0,0,0,0|1,0,1]=4 7850 B10R0.57 C=CC(C)C(=O)NCC(C)O 11a_100000210904_100011216780 [0,2,0,0,0,0|1,0,1]=4 7851 B10R0.57 C=CC(C)C(=O)NCC(C)O 240690a_100000210904_100011216780 [0,2,0,0,0,0|1,0,1]=4 7852 B10R0.57 C=CC(C)C(=O)NCC(C)O 527a_100000210904_100011216780 [0,2,0,0,0,0|1,0,1]=4 7853 B10R0.57 CC(C#N)C(=O)CC[S+](C)C 1458a_100009452791_100000703298 [0,2,0,0,0,0|1,0,1]=4 7854 B10R0.57 CC(C)CCC(=O)C(C)C#N 1458a_100000181311_100000703298 [0,2,0,0,0,0|0,0,1]=3 7855 B10R0.57 CC(C)CCC(=O)C(C)C#N 1458a_100000753662_100000210312 [0,2,0,0,0,0|0,0,1]=3 7856 B10R0.57 CC(C)CCC(=O)C(O)CO 1458a_100011215603_100000210312 [0,2,0,0,0,0|1,0,0]=3 7857 B10R0.57 CC(C)CCN(C)C(C)CO 2230a_100000693034_100000210312 [0,2,0,0,0,0|2,0,0]=4 7858 B10R0.57 CC(C)CCN(C)C(C)CO 2230a_100000742789_100012180447 [0,2,0,0,0,0|2,0,0]=4 7859 B10R0.57 CC(C)CCN(C)C(C)CO 269982a_100000693034_100000210312 [0,2,0,0,0,0|2,0,0]=4 7860 B10R0.57 CC(C)CCN(C)[C@H](C)CO 269982a_100000742789_100016084084 [0,2,0,0,0,0|2,0,0]=4 7861 B10R0.57 CC(C)CNC(=O)C(C)C#N 11a_100000210953_100000753662 [0,2,0,0,0,0|1,0,1]=4 7862 B10R0.57 CC(C)CNC(=O)C(C)C#N 1626a_100000210953_100000753662 [0,2,0,0,0,0|1,0,1]=4 7863 B10R0.57 CC(C)CNC(=O)C(C)C#N 240690a_100000210953_100000753662 [0,2,0,0,0,0|1,0,1]=4 7864 B10R0.57 CC(C)CNC(=O)C(C)C#N 527a_100000210953_100000753662 [0,2,0,0,0,0|1,0,1]=4 7865 B10R0.57 CC(C)CNC(=O)C(C)N[13CH3] 2230a_100025753496_200025704644 [0,2,0,0,0,0|1,0,0]=3 7866 B10R0.57 CC(C)CNC(=O)C(C)N[13CH3] 34a_100025753496_200025704644 [0,2,0,0,0,0|1,0,0]=3 7867 B10R0.57 CC(C)CNC(=O)C(C)S[13CH3] 62a_100000230289_200025704644 [0,2,0,0,0,0|1,0,0]=3 7868 B10R0.57 CC(C)CNC(=O)C(C)S[13CH3] 62a_200025704644_100000230289 [0,2,0,0,0,0|1,0,0]=3 7869 B10R0.57 CC(C)CNC(=O)C(O)CO 240690a_100000210953_100011215603 [0,2,0,0,0,0|2,0,0]=4 7870 B10R0.57 CC(C)OCC(=O)C(C)C#N 1458a_100000745533_100000703298 [0,2,0,0,0,0|1,0,1]=4 7871 B10R0.57 CC(C)SCC(=O)C(C)C#N 1458a_100000241585_100000703298 [0,2,0,0,0,0|1,0,1]=4 7872 B10R0.57 CC(O)CCC(=O)C(C)C#N 1458a_100000753662_100012276601 [0,2,0,0,0,0|0,0,1]=3 7873 B10R0.57 CC(O)CCC(=O)C(O)CO 1458a_100011215603_100012276601 [0,2,0,0,0,0|1,0,0]=3 7874 B10R0.57 CC(O)CCN(C)C(C)CO 2230a_100000693034_100012276601 [0,2,0,0,0,0|2,0,0]=4 7875 B10R0.57 CC(O)CCN(C)C(C)CO 269982a_100000693034_100012276601 [0,2,0,0,0,0|2,0,0]=4 7876 B10R0.57 CC(O)CNC(=O)C(C)C#N 11a_100000210904_100000753662 [0,2,0,0,0,0|1,0,1]=4 7877 B10R0.57 CC(O)CNC(=O)C(C)C#N 240690a_100000210904_100000753662 [0,2,0,0,0,0|1,0,1]=4 7878 B10R0.57 CC(O)CNC(=O)C(C)C#N 527a_100000210904_100000753662 [0,2,0,0,0,0|1,0,1]=4 7879 B10R0.57 CC(O)CNC(=O)C(O)CO 240690a_100000210904_100011215603 [0,2,0,0,0,0|2,0,0]=4 7880 B10R0.57 CCC(C)C(=O)C=CC(C)C 1458a_100016268746_100000758301 [0,2,0,0,0,0|0,0,2]=4 7881 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011192722_100000761012 [0,2,0,0,0,0|0,0,2]=4 7882 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000758301 [0,2,0,0,0,0|0,0,2]=4 7883 B10R0.57 CCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000758301 [0,2,0,0,0,0|1,0,1]=4 7884 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [0,2,0,0,0,0|0,0,0]=2 7885 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [0,2,0,0,0,0|0,0,0]=2 7886 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [0,2,0,0,0,0|0,0,0]=2 7887 B10R0.57 CCC(C)C(=O)CC[N+](=O)[O-] 1458a_200000064761_100000758301 [0,2,0,0,0,0|2,0,0]=4 7888 B10R0.57 CCC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000758301 [0,2,0,0,0,0|1,0,0]=3 7889 B10R0.57 CCC(C)C(=O)CNC(=O)C 1458a_100000194580_100000758301 [0,2,0,0,0,0|1,0,1]=4 7890 B10R0.57 CCC(C)C(=O)COC(=O)C 1458a_100000183556_100000758301 [0,2,0,0,0,0|1,0,1]=4 7891 B10R0.57 CCC(C)C(=O)COC(C)C 1458a_100000745533_100000758301 [0,2,0,0,0,0|1,0,0]=3 7892 B10R0.57 CCC(C)C(=O)COC(F)F 1458a_200000719455_100000758301 [0,2,0,0,0,0|2,0,0]=4 7893 B10R0.57 CCC(C)C(=O)CSC(=O)C 1458a_100000049016_100000758301 [0,2,0,0,0,0|1,0,1]=4 7894 B10R0.57 CCC(C)C(=O)CSC(C)C 1458a_100000241585_100000758301 [0,2,0,0,0,0|1,0,0]=3 7895 B10R0.57 CCC(C)C(=O)CSC(F)F 1458a_114828291038_100000758301 [0,2,0,0,0,0|2,0,0]=4 7896 B10R0.57 CCC(C)C(=O)NCC(=O)C 1458a_100000743532_200000210301 [0,2,0,0,0,0|1,0,1]=4 7897 B10R0.57 CCC(C)C(=O)NCC(=O)[13CH3] 1458a_100000743532_200025704644 [0,2,0,0,0,0|1,0,1]=4 7898 B10R0.57 CCC(C)C(=O)NCC(C)C 11a_100000210953_100011192722 [0,2,0,0,0,0|1,0,0]=3 7899 B10R0.57 CCC(C)C(=O)NCC(C)C 1626a_100000210953_100011192722 [0,2,0,0,0,0|1,0,0]=3 7900 B10R0.57 CCC(C)C(=O)NCC(C)C 240690a_100000210953_100011192722 [0,2,0,0,0,0|1,0,0]=3 7901 B10R0.57 CCC(C)C(=O)NCC(C)C 527a_100000210953_100011192722 [0,2,0,0,0,0|1,0,0]=3 7902 B10R0.57 CCC(C)C(=O)NCC(C)O 11a_100000210904_100011192722 [0,2,0,0,0,0|1,0,0]=3 7903 B10R0.57 CCC(C)C(=O)NCC(C)O 240690a_100000210904_100011192722 [0,2,0,0,0,0|1,0,0]=3 7904 B10R0.57 CCC(C)C(=O)NCC(C)O 527a_100000210904_100011192722 [0,2,0,0,0,0|1,0,0]=3 7905 B10R0.57 CCC(C)C(=O)NCC(F)F 11a_100000765723_100011192722 [0,2,0,0,0,0|2,0,0]=4 7906 B10R0.57 CCC(C)C(=O)NCC(F)F 1626a_100000765723_100011192722 [0,2,0,0,0,0|2,0,0]=4 7907 B10R0.57 CCC(C)C(=O)NCC(F)F 240690a_100000765723_100011192722 [0,2,0,0,0,0|2,0,0]=4 7908 B10R0.57 CCC(C)C(=O)NCC(F)F 527a_100000765723_100011192722 [0,2,0,0,0,0|2,0,0]=4 7909 B10R0.57 CCC(C)C(=O)NNC(C)C 22a_100000741168_100011192722 [0,2,0,0,0,0|2,0,0]=4 7910 B10R0.57 CCC(C)N(C)CCC(C)C 2230a_100000741768_100000210312 [0,2,0,0,0,0|2,0,0]=4 7911 B10R0.57 CCC(C)N(C)CCC(C)C 2230a_100000742789_100000758301 [0,2,0,0,0,0|2,0,0]=4 7912 B10R0.57 CCC(C)N(C)CCC(C)C 269982a_100000741768_100000210312 [0,2,0,0,0,0|2,0,0]=4 7913 B10R0.57 CCC(C)N(C)CCC(C)C 269982a_100000742789_100000758301 [0,2,0,0,0,0|2,0,0]=4 7914 B10R0.57 CCC(C)N(C)CCC(C)O 2230a_100000741768_100012276601 [0,2,0,0,0,0|2,0,0]=4 7915 B10R0.57 CCC(C)N(C)CCC(C)O 269982a_100000741768_100012276601 [0,2,0,0,0,0|2,0,0]=4 7916 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [0,2,0,0,0,0|1,0,0]=3 7917 B10R0.57 CCC(O)C(=O)CCC(C)O 1458a_100011196387_100012276601 [0,2,0,0,0,0|1,0,0]=3 7918 B10R0.57 CCC(O)C(=O)NCC(C)C 240690a_100000210953_100011196387 [0,2,0,0,0,0|2,0,0]=4 7919 B10R0.57 CCC(O)C(=O)NCC(C)O 240690a_100000210904_100011196387 [0,2,0,0,0,0|2,0,0]=4 7920 B10R0.57 CCN(C)C(=O)CCC(C)C 11a_100000225621_100000181311 [0,2,0,0,0,0|1,0,0]=3 7921 B10R0.57 CCN(C)C(=O)CCC(C)C 1626a_100000225621_100000181311 [0,2,0,0,0,0|1,0,0]=3 7922 B10R0.57 CCN(C)C(=O)CCC(C)C 240690a_100000225621_100000181311 [0,2,0,0,0,0|1,0,0]=3 7923 B10R0.57 CCN(C)C(=O)CCC(C)C 527a_100000225621_100000181311 [0,2,0,0,0,0|1,0,0]=3 7924 B10R0.57 CCN(C)C(=O)CCC(C)O 1626a_100000225621_100000718519 [0,2,0,0,0,0|1,0,0]=3 7925 B10R0.57 CCN(C)C(=O)CCN(C)C 11a_100000225621_100000689311 [0,2,0,0,0,0|2,0,0]=4 7926 B10R0.57 CCN(C)C(=O)CCN(C)C 240690a_100000225621_100000689311 [0,2,0,0,0,0|2,0,0]=4 7927 B10R0.57 CCN(C)C(=O)CCN(C)C 527a_100000225621_100000689311 [0,2,0,0,0,0|2,0,0]=4 7928 B10R0.57 CCN(C)C(=O)CC[S+](C)C 11a_100000225621_100009452791 [0,2,0,0,0,0|2,0,0]=4 7929 B10R0.57 CCN(C)C(=O)CC[S+](C)C 1626a_100000225621_100009452791 [0,2,0,0,0,0|2,0,0]=4 7930 B10R0.57 CCN(C)C(=O)CC[S+](C)C 240690a_100000225621_100009452791 [0,2,0,0,0,0|2,0,0]=4 7931 B10R0.57 CCN(C)C(=O)CNC(C)C 2230a_100138425928_100000738999 [0,2,0,0,0,0|2,0,0]=4 7932 B10R0.57 CCN(C)C(=O)CNC(C)C 34a_100138425928_100000738999 [0,2,0,0,0,0|2,0,0]=4 7933 B10R0.57 CCN(C)C(=O)COC(C)C 11a_100000225621_100000745533 [0,2,0,0,0,0|2,0,0]=4 7934 B10R0.57 CCN(C)C(=O)COC(C)C 1626a_100000225621_100000745533 [0,2,0,0,0,0|2,0,0]=4 7935 B10R0.57 CCN(C)C(=O)COC(C)C 240690a_100000225621_100000745533 [0,2,0,0,0,0|2,0,0]=4 7936 B10R0.57 CCN(C)C(=O)COC(C)C 34a_100000212225_100000738999 [0,2,0,0,0,0|2,0,0]=4 7937 B10R0.57 CCN(C)C(=O)COC(C)C 527a_100000225621_100000745533 [0,2,0,0,0,0|2,0,0]=4 7938 B10R0.57 CCN(C)C(=O)CSC(C)C 11a_100000225621_100000241585 [0,2,0,0,0,0|2,0,0]=4 7939 B10R0.57 CCN(C)C(=O)CSC(C)C 1626a_100000225621_100000241585 [0,2,0,0,0,0|2,0,0]=4 7940 B10R0.57 CCN(C)C(=O)CSC(C)C 240690a_100000225621_100000241585 [0,2,0,0,0,0|2,0,0]=4 7941 B10R0.57 CCN(C)C(=O)CSC(C)C 527a_100000225621_100000241585 [0,2,0,0,0,0|2,0,0]=4 7942 B10R0.57 CCN(C)C(=O)CSC(C)C 62a_100000210206_100000738999 [0,2,0,0,0,0|2,0,0]=4 7943 B10R0.57 CCN(C)C(=O)CSC(C)C 62a_100000738999_100000210206 [0,2,0,0,0,0|2,0,0]=4 7944 B10R0.57 CCN(C)C(=O)NCC(C)C 2708a_100000210953_100000225621 [0,2,0,0,0,0|2,0,0]=4 7945 B10R0.57 CCN(C)C(=O)NCC(C)C 273464a_100000210953_100000225621 [0,2,0,0,0,0|2,0,0]=4 7946 B10R0.57 CCN(C)C(=O)NCC(C)O 273464a_100000210904_100000225621 [0,2,0,0,0,0|2,0,0]=4 7947 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [0,2,0,0,0,0|1,0,1]=4 7948 B10R0.57 CNC(=O)C(=O)CCC(C)O 1458a_100011218921_100012276601 [0,2,0,0,0,0|1,0,1]=4 7949 B10R0.57 CNC(C)C(=O)NCC(C)C 2230a_100025753496_200000210301 [0,2,0,0,0,0|1,0,0]=3 7950 B10R0.57 CNC(C)C(=O)NCC(C)C 2230a_106832991635_100000230289 [0,2,0,0,0,0|1,0,0]=3 7951 B10R0.57 CNC(C)C(=O)NCC(C)C 34a_100025753496_200000210301 [0,2,0,0,0,0|1,0,0]=3 7952 B10R0.57 CNC(C)C(=O)NCC(C)C 34a_100102657272_100000230289 [0,2,0,0,0,0|1,0,0]=3 7953 B10R0.57 CNC(C)C(=O)NCC(C)C 7a_106832991635_100000230289 [0,2,0,0,0,0|1,0,0]=3 7954 B10R0.57 COC(C)C(=O)CC=C(C)C 1458a_100000743197_100000761012 [0,2,0,0,0,0|0,0,2]=4 7955 B10R0.57 COC(C)C(=O)CCC(C)C 1458a_100000743197_100000210312 [0,2,0,0,0,0|0,0,0]=2 7956 B10R0.57 COC(C)C(=O)CCC(C)O 1458a_100000743197_100012276601 [0,2,0,0,0,0|0,0,0]=2 7957 B10R0.57 COC(C)C(=O)NCC(C)C 11a_100000210953_100000743197 [0,2,0,0,0,0|1,0,0]=3 7958 B10R0.57 COC(C)C(=O)NCC(C)C 1626a_100000210953_100000743197 [0,2,0,0,0,0|1,0,0]=3 7959 B10R0.57 COC(C)C(=O)NCC(C)C 240690a_100000210953_100000743197 [0,2,0,0,0,0|1,0,0]=3 7960 B10R0.57 COC(C)C(=O)NCC(C)C 34a_100138415774_100000230289 [0,2,0,0,0,0|1,0,0]=3 7961 B10R0.57 COC(C)C(=O)NCC(C)C 527a_100000210953_100000743197 [0,2,0,0,0,0|1,0,0]=3 7962 B10R0.57 COC(C)C(=O)NCC(C)O 11a_100000210904_100000743197 [0,2,0,0,0,0|1,0,0]=3 7963 B10R0.57 COC(C)C(=O)NCC(C)O 240690a_100000210904_100000743197 [0,2,0,0,0,0|1,0,0]=3 7964 B10R0.57 COC(C)C(=O)NCC(C)O 527a_100000210904_100000743197 [0,2,0,0,0,0|1,0,0]=3 7965 B10R0.57 COC(C)C(=O)NCC(F)F 11a_100000765723_100000743197 [0,2,0,0,0,0|2,0,0]=4 7966 B10R0.57 COC(C)C(=O)NCC(F)F 1626a_100000765723_100000743197 [0,2,0,0,0,0|2,0,0]=4 7967 B10R0.57 COC(C)C(=O)NCC(F)F 240690a_100000765723_100000743197 [0,2,0,0,0,0|2,0,0]=4 7968 B10R0.57 COC(C)C(=O)NCC(F)F 527a_100000765723_100000743197 [0,2,0,0,0,0|2,0,0]=4 7969 B10R0.57 COC(C)C(=O)NNC(C)C 22a_100000741168_100000743197 [0,2,0,0,0,0|2,0,0]=4 7970 B10R0.57 COC(C)N(C)CCC(C)C 269982a_100000742789_100009879195 [0,2,0,0,0,0|2,0,0]=4 7971 B10R0.57 CON(C)C(=O)CNC(C)C 2230a_100015207273_100000210206 [0,2,0,0,0,0|2,0,0]=4 7972 B10R0.57 CON(C)C(=O)CNC(C)C 2230a_100138425928_100000764215 [0,2,0,0,0,0|2,0,0]=4 7973 B10R0.57 CON(C)C(=O)CSC(C)C 62a_100000210206_100000764215 [0,2,0,0,0,0|2,0,0]=4 7974 B10R0.57 CON(C)C(=O)CSC(C)C 62a_100000764215_100000210206 [0,2,0,0,0,0|2,0,0]=4 7975 B10R0.57 CSC(C)C(=O)CC=C(C)C 1458a_100000149566_100000761012 [0,2,0,0,0,0|0,0,2]=4 7976 B10R0.57 CSC(C)C(=O)CCC(C)C 1458a_100000149566_100000210312 [0,2,0,0,0,0|0,0,0]=2 7977 B10R0.57 CSC(C)C(=O)CCC(C)O 1458a_100000149566_100012276601 [0,2,0,0,0,0|0,0,0]=2 7978 B10R0.57 CSC(C)C(=O)NCC(C)C 11a_100000210953_100000149566 [0,2,0,0,0,0|1,0,0]=3 7979 B10R0.57 CSC(C)C(=O)NCC(C)C 1626a_100000210953_100000149566 [0,2,0,0,0,0|1,0,0]=3 7980 B10R0.57 CSC(C)C(=O)NCC(C)C 240690a_100000210953_100000149566 [0,2,0,0,0,0|1,0,0]=3 7981 B10R0.57 CSC(C)C(=O)NCC(C)C 527a_100000210953_100000149566 [0,2,0,0,0,0|1,0,0]=3 7982 B10R0.57 CSC(C)C(=O)NCC(C)C 62a_100000230289_200000210301 [0,2,0,0,0,0|1,0,0]=3 7983 B10R0.57 CSC(C)C(=O)NCC(C)C 62a_200000210301_100000230289 [0,2,0,0,0,0|1,0,0]=3 7984 B10R0.57 CSC(C)C(=O)NCC(C)O 11a_100000210904_100000149566 [0,2,0,0,0,0|1,0,0]=3 7985 B10R0.57 CSC(C)C(=O)NCC(C)O 240690a_100000210904_100000149566 [0,2,0,0,0,0|1,0,0]=3 7986 B10R0.57 CSC(C)C(=O)NCC(C)O 527a_100000210904_100000149566 [0,2,0,0,0,0|1,0,0]=3 7987 B10R0.57 CSC(C)C(=O)NCC(F)F 11a_100000765723_100000149566 [0,2,0,0,0,0|2,0,0]=4 7988 B10R0.57 CSC(C)C(=O)NCC(F)F 1626a_100000765723_100000149566 [0,2,0,0,0,0|2,0,0]=4 7989 B10R0.57 CSC(C)C(=O)NCC(F)F 240690a_100000765723_100000149566 [0,2,0,0,0,0|2,0,0]=4 7990 B10R0.57 CSC(C)C(=O)NCC(F)F 527a_100000765723_100000149566 [0,2,0,0,0,0|2,0,0]=4 7991 B10R0.57 CSC(C)C(=O)NNC(C)C 22a_100000741168_100000149566 [0,2,0,0,0,0|2,0,0]=4 7992 B10R0.82 C#CC(C)NCC(=O)C(C)C 2230a_100000707721_100000753385 [0,2,0,0,0,0|1,0,0]=3 7993 B10R0.82 C#CC(C)NCC(=O)C(C)C 34a_100000707721_100000753385 [0,2,0,0,0,0|1,0,0]=3 7994 B10R0.82 C#CC(C)NCC(=O)N(C)C 2230a_100000707721_100000185267 [0,2,0,0,0,0|2,0,0]=4 7995 B10R0.82 C#CC(C)NCC(=O)N(C)C 34a_100000707721_100000692301 [0,2,0,0,0,0|2,0,0]=4 7996 B10R0.82 C#CC(C)SCC(=O)C(C)C 62a_200000035995_100000753385 [0,2,0,0,0,0|1,0,0]=3 7997 B10R0.82 C#CC(C)SCC(=O)N(C)C 62a_200000035995_100000692301 [0,2,0,0,0,0|2,0,0]=4 7998 B10R0.82 C#C[C@@H](C)OCC(=O)C(C)C 34a_100009815206_100000753385 [0,2,0,0,0,0|1,0,0]=3 7999 B10R0.82 C#C[C@@H](C)OCC(=O)C(C)C 7a_100009815206_100000753385 [0,2,0,0,0,0|1,0,0]=3 8000 B10R0.82 C#C[C@@H](C)OCC(=O)N(C)C 34a_100009815206_100000692301 [0,2,0,0,0,0|2,0,0]=4 8001 B10R0.82 C#C[C@@H](C)OCC(=O)N(C)C 7a_100009815206_100000692301 [0,2,0,0,0,0|2,0,0]=4 8002 B10R0.82 C=C(C)C(=O)NCC(C)CC 11a_100020588543_100000185857 [0,2,0,0,0,0|0,0,2]=4 8003 B10R0.82 C=C(C)C(=O)NCC(C)CC 1626a_100020588543_100000185857 [0,2,0,0,0,0|0,0,2]=4 8004 B10R0.82 C=C(C)C(=O)NCC(O)CC 11a_100011218483_100000185857 [0,2,0,0,0,0|0,0,2]=4 8005 B10R0.82 C=CC(C)OCC(=O)C(C)C 34a_100000695699_100000753385 [0,2,0,0,0,0|1,0,0]=3 8006 B10R0.82 C=CC(C)OCC(=O)N(C)C 34a_100000695699_100000692301 [0,2,0,0,0,0|2,0,0]=4 8007 B10R0.82 C=CC(C)SCC(=O)C(C)C 62a_100011215867_100000753385 [0,2,0,0,0,0|1,0,0]=3 8008 B10R0.82 C=CC(C)SCC(=O)N(C)C 62a_100011215867_100000692301 [0,2,0,0,0,0|2,0,0]=4 8009 B10R0.82 CC(C#N)NCC(=O)C(C)C 2230a_100000737613_100000753385 [0,2,0,0,0,0|1,0,0]=3 8010 B10R0.82 CC(C#N)NCC(=O)N(C)C 2230a_100000737613_100000185267 [0,2,0,0,0,0|2,0,0]=4 8011 B10R0.82 CC(C#N)NCC(=O)N(C)C 2230a_100015183351_100000184139 [0,2,0,0,0,0|2,0,0]=4 8012 B10R0.82 CC(C#N)OCC(=O)C(C)C 34a_100011218135_100000753385 [0,2,0,0,0,0|1,0,0]=3 8013 B10R0.82 CC(C#N)OCC(=O)N(C)C 34a_100011218135_100000692301 [0,2,0,0,0,0|2,0,0]=4 8014 B10R0.82 CC(C#N)SCC(=O)C(C)C 62a_100000703298_100000753385 [0,2,0,0,0,0|1,0,0]=3 8015 B10R0.82 CC(C#N)SCC(=O)C(C)C 62a_100000753385_100000703298 [0,2,0,0,0,0|1,0,0]=3 8016 B10R0.82 CC(C#N)SCC(=O)N(C)C 62a_100000692301_100000703298 [0,2,0,0,0,0|2,0,0]=4 8017 B10R0.82 CC(C#N)SCC(=O)N(C)C 62a_100000703298_100000692301 [0,2,0,0,0,0|2,0,0]=4 8018 B10R0.82 CC(C)C(=O)CN[C@H](C)CO 2230a_100000737577_100000753385 [0,2,0,0,0,0|1,0,0]=3 8019 B10R0.82 CC(C)C(=O)CSC(F)C#N 62a_100000753385_200000117898 [0,2,0,0,0,0|1,0,1]=4 8020 B10R0.82 CC(C)C(=O)CSC(F)C#N 62a_200000117898_100000753385 [0,2,0,0,0,0|1,0,1]=4 8021 B10R0.82 CC(C)C(=O)CS[C@H](C)CO 62a_100000753385_100016084084 [0,2,0,0,0,0|1,0,0]=3 8022 B10R0.82 CC(C)C(=O)CS[C@H](C)CO 62a_100016084084_100000753385 [0,2,0,0,0,0|1,0,0]=3 8023 B10R0.82 CC(C)C(=O)NCC(=O)CF 1458a_100000194582_100015361967 [0,2,0,0,0,0|1,0,1]=4 8024 B10R0.82 CC(C)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000210198 [0,2,0,0,0,0|1,0,0]=3 8025 B10R0.82 CC(C)C(=O)NC[C@@H](F)CO 527a_100015665980_100000210198 [0,2,0,0,0,0|1,0,0]=3 8026 B10R0.82 CC(C)C(=O)NC[C@H](O)CO 240690a_100020644852_100000210198 [0,2,0,0,0,0|1,0,0]=3 8027 B10R0.82 CC(C)C(=O)NC[C@H](O)CO 527a_100020644852_100000210198 [0,2,0,0,0,0|1,0,0]=3 8028 B10R0.82 CC(C)C(=O)OCC(=O)CO 1458a_100000210174_100000139345 [0,2,0,0,0,0|1,0,1]=4 8029 B10R0.82 CC(CF)OCC(=O)C(C)C 34a_100016041109_100000753385 [0,2,0,0,0,0|1,0,0]=3 8030 B10R0.82 CC(CF)OCC(=O)C(C)C 7a_100016041109_100000753385 [0,2,0,0,0,0|1,0,0]=3 8031 B10R0.82 CC(CF)OCC(=O)N(C)C 34a_100016041109_100000692301 [0,2,0,0,0,0|2,0,0]=4 8032 B10R0.82 CC(CF)OCC(=O)N(C)C 7a_100016041109_100000692301 [0,2,0,0,0,0|2,0,0]=4 8033 B10R0.82 CC(CN)OCC(=O)C(C)C 34a_100000210904_100000753385 [0,2,0,0,0,0|1,0,0]=3 8034 B10R0.82 CC(CN)OCC(=O)N(C)C 34a_100000210904_100000692301 [0,2,0,0,0,0|2,0,0]=4 8035 B10R0.82 CC(CO)CNC(=O)C(C)C 240690a_100000744482_100000210198 [0,2,0,0,0,0|1,0,0]=3 8036 B10R0.82 CC(CO)CNC(=O)C(C)C 527a_100000744482_100000210198 [0,2,0,0,0,0|1,0,0]=3 8037 B10R0.82 CC(CO)CNC(=O)C(C)F 240690a_100000744482_100000062450 [0,2,0,0,0,0|2,0,0]=4 8038 B10R0.82 CC(CO)CNC(=O)C(C)F 527a_100000744482_100000062450 [0,2,0,0,0,0|2,0,0]=4 8039 B10R0.82 CC(CO)CNC(=O)[C@@H](C)O 240690a_100000744482_100000717761 [0,2,0,0,0,0|2,0,0]=4 8040 B10R0.82 CC(CO)CNC(=O)[C@H](C)O 240690a_100000744482_217856618621 [0,2,0,0,0,0|2,0,0]=4 8041 B10R0.82 CC(CO)NCC(=O)N(C)C 2230a_100015183351_100012180447 [0,2,0,0,0,0|2,0,0]=4 8042 B10R0.82 CC(CO)SCC(=O)C(C)C 62a_100012180447_100000753385 [0,2,0,0,0,0|1,0,0]=3 8043 B10R0.82 CC(CO)SCC(=O)N(C)C 62a_100012180447_100000692301 [0,2,0,0,0,0|2,0,0]=4 8044 B10R0.82 CC(F)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000062450 [0,2,0,0,0,0|2,0,0]=4 8045 B10R0.82 CC(F)C(=O)NC[C@@H](F)CO 527a_100015665980_100000062450 [0,2,0,0,0,0|2,0,0]=4 8046 B10R0.82 CC(F)C(=O)NC[C@H](O)CO 240690a_100020644852_100000062450 [0,2,0,0,0,0|2,0,0]=4 8047 B10R0.82 CC(F)C(=O)NC[C@H](O)CO 527a_100020644852_100000062450 [0,2,0,0,0,0|2,0,0]=4 8048 B10R0.82 CCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000210202 [0,2,0,0,0,0|1,0,0]=3 8049 B10R0.82 CCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210202 [0,2,0,0,0,0|2,0,0]=4 8050 B10R0.82 CCC(=O)CNC(=O)C(C)C 1458a_100000194582_100000210202 [0,2,0,0,0,0|0,0,1]=3 8051 B10R0.82 CCC(=O)COC(=O)C(C)C 1458a_100000210414_100000139345 [0,2,0,0,0,0|0,0,1]=3 8052 B10R0.82 CCC(=O)NCC(=O)C(C)C 1458a_100000194589_100000210206 [0,2,0,0,0,0|0,0,1]=3 8053 B10R0.82 CCC(=O)NCC(=O)N(C)C 11a_100015183351_100000210414 [0,2,0,0,0,0|1,0,1]=4 8054 B10R0.82 CCC(=O)NCC(=O)N(C)C 11a_100102631434_100000194589 [0,2,0,0,0,0|1,0,1]=4 8055 B10R0.82 CCC(=O)NCC(=O)N(C)C 1626a_100102631434_100000194589 [0,2,0,0,0,0|1,0,1]=4 8056 B10R0.82 CCC(=O)NCC(=O)N(C)C 240690a_100015183351_100000210414 [0,2,0,0,0,0|1,0,1]=4 8057 B10R0.82 CCC(=O)NCC(=O)N(C)C 240690a_100102631434_100000194589 [0,2,0,0,0,0|1,0,1]=4 8058 B10R0.82 CCC(=O)NCC(=O)N(C)C 527a_100015183351_100000210414 [0,2,0,0,0,0|1,0,1]=4 8059 B10R0.82 CCC(=O)NCC(=O)N(C)C 527a_100102631434_100000194589 [0,2,0,0,0,0|1,0,1]=4 8060 B10R0.82 CCC(=O)NNC(=O)C(C)C 22a_100000183195_100000210198 [0,2,0,0,0,0|1,0,1]=4 8061 B10R0.82 CCC(=O)NNC(=O)C(C)C 22a_100000184118_100000210414 [0,2,0,0,0,0|1,0,1]=4 8062 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [0,2,0,0,0,0|0,0,0]=2 8063 B10R0.82 CCC(C)CCC(=O)N(C)C 11a_100102631434_100000701222 [0,2,0,0,0,0|1,0,0]=3 8064 B10R0.82 CCC(C)CCC(=O)N(C)C 1626a_100102631434_100000701222 [0,2,0,0,0,0|1,0,0]=3 8065 B10R0.82 CCC(C)CCC(=O)N(C)C 240690a_100102631434_100000701222 [0,2,0,0,0,0|1,0,0]=3 8066 B10R0.82 CCC(C)CCC(=O)N(C)C 527a_100102631434_100000701222 [0,2,0,0,0,0|1,0,0]=3 8067 B10R0.82 CCC(C)CNC(=O)C(C)C 11a_100020588543_100000210198 [0,2,0,0,0,0|0,0,0]=2 8068 B10R0.82 CCC(C)CNC(=O)C(C)C 1626a_100020588543_100000210198 [0,2,0,0,0,0|0,0,0]=2 8069 B10R0.82 CCC(C)CNC(=O)C(C)C 240690a_100020588543_100000210198 [0,2,0,0,0,0|0,0,0]=2 8070 B10R0.82 CCC(C)CNC(=O)C(C)C 527a_100020588543_100000210198 [0,2,0,0,0,0|0,0,0]=2 8071 B10R0.82 CCC(C)CNC(=O)C(C)F 11a_100020588543_100000062450 [0,2,0,0,0,0|1,0,0]=3 8072 B10R0.82 CCC(C)CNC(=O)C(C)F 1626a_100020588543_100000062450 [0,2,0,0,0,0|1,0,0]=3 8073 B10R0.82 CCC(C)CNC(=O)C(C)F 240690a_100020588543_100000062450 [0,2,0,0,0,0|1,0,0]=3 8074 B10R0.82 CCC(C)CNC(=O)C(C)F 527a_100020588543_100000062450 [0,2,0,0,0,0|1,0,0]=3 8075 B10R0.82 CCC(C)CNC(=O)C(F)F 11a_100020588543_100000210393 [0,2,0,0,0,0|2,0,0]=4 8076 B10R0.82 CCC(C)CNC(=O)C(F)F 1626a_100020588543_100000210393 [0,2,0,0,0,0|2,0,0]=4 8077 B10R0.82 CCC(C)CNC(=O)C(F)F 240690a_100020588543_100000210393 [0,2,0,0,0,0|2,0,0]=4 8078 B10R0.82 CCC(C)CNC(=O)C(F)F 527a_100020588543_100000210393 [0,2,0,0,0,0|2,0,0]=4 8079 B10R0.82 CCC(C)CNC(=O)C(O)O 240690a_100020588543_100000233687 [0,2,0,0,0,0|2,0,0]=4 8080 B10R0.82 CCC(C)CNC(=O)N(C)C 2708a_100020588543_100102631434 [0,2,0,0,0,0|1,0,0]=3 8081 B10R0.82 CCC(C)CNC(=O)[C@@H](C)O 240690a_100020588543_100000717761 [0,2,0,0,0,0|1,0,0]=3 8082 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 1626a_100020588543_217856618621 [0,2,0,0,0,0|1,0,0]=3 8083 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 240690a_100020588543_217856618621 [0,2,0,0,0,0|1,0,0]=3 8084 B10R0.82 CCC(C)CNC(C)C(C)C 2230a_100000211541_100000748023 [0,2,0,0,0,0|1,0,1]=4 8085 B10R0.82 CCC(C)CNC(C)C(C)C 270004a_100000211541_100000243153 [0,2,0,0,0,0|1,0,1]=4 8086 B10R0.82 CCC(C)COC(C)C(C)C 7a_100000748068_100000748023 [0,2,0,0,0,0|1,0,1]=4 8087 B10R0.82 CCC(C)NCC(=O)C(C)C 2230a_100000209981_100000753385 [0,2,0,0,0,0|0,0,0]=2 8088 B10R0.82 CCC(C)NCC(=O)N(C)C 2230a_100000209981_100000185267 [0,2,0,0,0,0|1,0,0]=3 8089 B10R0.82 CCC(C)NCC(=O)N(C)C 2230a_100015183351_100000758301 [0,2,0,0,0,0|1,0,0]=3 8090 B10R0.82 CCC(C)NCC(O)C(C)C 2230a_100000759067_100000758301 [0,2,0,0,0,0|0,0,2]=4 8091 B10R0.82 CCC(C)NCC(O)C(C)C 34a_100000759067_100011215416 [0,2,0,0,0,0|0,0,2]=4 8092 B10R0.82 CCC(C)NN=C(C)C(C)C 4a_100000718999_100000211110 [0,2,0,0,0,0|2,0,0]=4 8093 B10R0.82 CCC(C)NNC(=O)C(C)C 22a_100000718999_100000210198 [0,2,0,0,0,0|1,0,0]=3 8094 B10R0.82 CCC(C)NNC(=O)C(C)F 22a_100000718999_100000062450 [0,2,0,0,0,0|2,0,0]=4 8095 B10R0.82 CCC(C)NNC(=O)[C@@H](C)O 22a_100000718999_100000717761 [0,2,0,0,0,0|2,0,0]=4 8096 B10R0.82 CCC(C)NNC(=O)[C@H](C)O 22a_100000718999_217856618621 [0,2,0,0,0,0|2,0,0]=4 8097 B10R0.82 CCC(C)OCC(=O)C(C)C 7a_100000210228_100000753385 [0,2,0,0,0,0|0,0,0]=2 8098 B10R0.82 CCC(C)OCC(=O)N(C)C 7a_100000210228_100000692301 [0,2,0,0,0,0|1,0,0]=3 8099 B10R0.82 CCC(C)OC[C@H](N)C(C)C 34a_100011830312_100011215416 [0,2,0,0,0,0|1,0,1]=4 8100 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100000758301_100011261029 [0,2,0,0,0,0|1,0,1]=4 8101 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100011261029_100000758301 [0,2,0,0,0,0|1,0,1]=4 8102 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000753385_100000758301 [0,2,0,0,0,0|0,0,0]=2 8103 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000758301_100000753385 [0,2,0,0,0,0|0,0,0]=2 8104 B10R0.82 CCC(C)SCC(=O)N(C)C 62a_100000692301_100000758301 [0,2,0,0,0,0|1,0,0]=3 8105 B10R0.82 CCC(C)SCC(=O)N(C)C 62a_100000758301_100000692301 [0,2,0,0,0,0|1,0,0]=3 8106 B10R0.82 CCC(O)CCC(=O)N(C)C 1626a_100102631434_203496584001 [0,2,0,0,0,0|1,0,0]=3 8107 B10R0.82 CCC(O)CCC(=O)N(C)C 240690a_100102631434_203496584001 [0,2,0,0,0,0|1,0,0]=3 8108 B10R0.82 CCC(O)CNC(=O)C(C)C 11a_100011218483_100000210198 [0,2,0,0,0,0|0,0,0]=2 8109 B10R0.82 CCC(O)CNC(=O)C(C)C 240690a_100011218483_100000210198 [0,2,0,0,0,0|0,0,0]=2 8110 B10R0.82 CCC(O)CNC(=O)C(C)C 527a_100011218483_100000210198 [0,2,0,0,0,0|0,0,0]=2 8111 B10R0.82 CCC(O)CNC(=O)C(C)F 11a_100011218483_100000062450 [0,2,0,0,0,0|1,0,0]=3 8112 B10R0.82 CCC(O)CNC(=O)C(C)F 240690a_100011218483_100000062450 [0,2,0,0,0,0|1,0,0]=3 8113 B10R0.82 CCC(O)CNC(=O)C(C)F 527a_100011218483_100000062450 [0,2,0,0,0,0|1,0,0]=3 8114 B10R0.82 CCC(O)CNC(=O)C(F)F 11a_100011218483_100000210393 [0,2,0,0,0,0|2,0,0]=4 8115 B10R0.82 CCC(O)CNC(=O)C(F)F 240690a_100011218483_100000210393 [0,2,0,0,0,0|2,0,0]=4 8116 B10R0.82 CCC(O)CNC(=O)C(F)F 527a_100011218483_100000210393 [0,2,0,0,0,0|2,0,0]=4 8117 B10R0.82 CCC(O)CNC(=O)C(O)O 240690a_100011218483_100000233687 [0,2,0,0,0,0|2,0,0]=4 8118 B10R0.82 CCC(O)CNC(=O)[C@@H](C)O 240690a_100011218483_100000717761 [0,2,0,0,0,0|1,0,0]=3 8119 B10R0.82 CCC(O)CNC(=O)[C@H](C)O 240690a_100011218483_217856618621 [0,2,0,0,0,0|1,0,0]=3 8120 B10R0.82 CCC(O)CNC(C)C(C)C 2230a_100000211541_100011218378 [0,2,0,0,0,0|1,0,1]=4 8121 B10R0.82 CCC(O)COC(C)C(C)C 7a_100000748068_100011218378 [0,2,0,0,0,0|1,0,1]=4 8122 B10R0.82 CCN(C)CCC(=O)C(C)C 1458a_100000755305_100000210206 [0,2,0,0,0,0|0,0,0]=2 8123 B10R0.82 CCN(C)CCC(=O)N(C)C 2230a_100000225621_100000737620 [0,2,0,0,0,0|1,0,0]=3 8124 B10R0.82 CCN(C)CCC(=O)N(C)C 240690a_100102631434_100000755305 [0,2,0,0,0,0|1,0,0]=3 8125 B10R0.82 CCN(C)CCC(=O)N(C)C 269982a_100000225621_100000737620 [0,2,0,0,0,0|1,0,0]=3 8126 B10R0.82 CCS(=O)CCC(=O)C(C)C 1458a_100011387550_100000210206 [0,2,0,0,0,0|0,0,0]=2 8127 B10R0.82 CCS(=O)CCC(=O)N(C)C 11a_100102631434_100011387550 [0,2,0,0,0,0|1,0,0]=3 8128 B10R0.82 CCS(=O)CCC(=O)N(C)C 1626a_100102631434_100011387550 [0,2,0,0,0,0|1,0,0]=3 8129 B10R0.82 CCS(=O)CCC(=O)N(C)C 240690a_100102631434_100011387550 [0,2,0,0,0,0|1,0,0]=3 8130 B10R0.82 CCS(=O)CCC(=O)N(C)C 527a_100102631434_100011387550 [0,2,0,0,0,0|1,0,0]=3 8131 B10R0.82 CC[C@H](C)CNC(C)C(C)C 2230a_100000211541_100009816398 [0,2,0,0,0,0|1,0,1]=4 8132 B10R0.82 CC[C@H](C)COC(C)C(C)C 7a_100000748068_100009816398 [0,2,0,0,0,0|1,0,1]=4 8133 B10R0.82 CN(C)C(=O)CCC(=O)CF 1458a_100011200748_100015361967 [0,2,0,0,0,0|1,0,1]=4 8134 B10R0.82 CNC(=O)CCC(=O)C(C)C 1458a_100011309844_100000210206 [0,2,0,0,0,0|0,0,1]=3 8135 B10R0.82 CNC(=O)CCC(=O)N(C)C 11a_100102631434_100011309844 [0,2,0,0,0,0|1,0,1]=4 8136 B10R0.82 CNC(=O)CCC(=O)N(C)C 11a_106832991635_100011200748 [0,2,0,0,0,0|1,0,1]=4 8137 B10R0.82 CNC(=O)CCC(=O)N(C)C 1626a_100102631434_100011309844 [0,2,0,0,0,0|1,0,1]=4 8138 B10R0.82 CNC(=O)CCC(=O)N(C)C 1626a_100102657272_100011200748 [0,2,0,0,0,0|1,0,1]=4 8139 B10R0.82 CNC(=O)CCC(=O)N(C)C 240690a_100102631434_100011309844 [0,2,0,0,0,0|1,0,1]=4 8140 B10R0.82 CNC(=O)CCC(=O)N(C)C 240690a_100102657272_100011200748 [0,2,0,0,0,0|1,0,1]=4 8141 B10R0.82 CNC(=O)CCC(=O)N(C)C 527a_100102631434_100011309844 [0,2,0,0,0,0|1,0,1]=4 8142 B10R0.82 CNC(=O)CCC(=O)N(C)C 527a_100102657272_100011200748 [0,2,0,0,0,0|1,0,1]=4 8143 B10R0.82 CNC(=O)CNC(=O)C(C)C 11a_100000693194_100000210198 [0,2,0,0,0,0|1,0,1]=4 8144 B10R0.82 CNC(=O)CNC(=O)C(C)C 11a_106832991635_100000194582 [0,2,0,0,0,0|1,0,1]=4 8145 B10R0.82 CNC(=O)CNC(=O)C(C)C 1626a_100102657272_100000194582 [0,2,0,0,0,0|1,0,1]=4 8146 B10R0.82 CNC(=O)CNC(=O)C(C)C 240690a_100000693194_100000210198 [0,2,0,0,0,0|1,0,1]=4 8147 B10R0.82 CNC(=O)CNC(=O)C(C)C 240690a_100102657272_100000194582 [0,2,0,0,0,0|1,0,1]=4 8148 B10R0.82 CNC(=O)CNC(=O)C(C)C 527a_100000693194_100000210198 [0,2,0,0,0,0|1,0,1]=4 8149 B10R0.82 CNC(=O)CNC(=O)C(C)C 527a_100102657272_100000194582 [0,2,0,0,0,0|1,0,1]=4 8150 B10R0.82 COC(=O)CCC(=O)C(C)C 1458a_100000187943_100000210206 [0,2,0,0,0,0|0,0,1]=3 8151 B10R0.82 COC(=O)CCC(=O)N(C)C 11a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 8152 B10R0.82 COC(=O)CCC(=O)N(C)C 1626a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 8153 B10R0.82 COC(=O)CCC(=O)N(C)C 240690a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 8154 B10R0.82 COC(=O)CCC(=O)N(C)C 527a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 8155 B10R0.82 COC(=O)CNC(=O)C(C)C 188690a_100000185156_100000210198 [0,2,0,0,0,0|1,0,1]=4 8156 B10R0.82 COC(=O)NCC(=O)C(C)C 1458a_100000215747_100000210206 [0,2,0,0,0,0|1,0,1]=4 8157 B10R0.82 COC(C)SCC(=O)C(C)C 62a_100000753385_100009879195 [0,2,0,0,0,0|1,0,0]=3 8158 B10R0.82 COC(C)SCC(=O)C(C)C 62a_100009879195_100000753385 [0,2,0,0,0,0|1,0,0]=3 8159 B10R0.82 COC(C)SCC(=O)N(C)C 62a_100000692301_100009879195 [0,2,0,0,0,0|2,0,0]=4 8160 B10R0.82 COC(C)SCC(=O)N(C)C 62a_100009879195_100000692301 [0,2,0,0,0,0|2,0,0]=4 8161 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 11a_100020591295_100000210198 [0,2,0,0,0,0|1,0,0]=3 8162 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 1626a_100020591295_100000210198 [0,2,0,0,0,0|1,0,0]=3 8163 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 240690a_100020591295_100000210198 [0,2,0,0,0,0|1,0,0]=3 8164 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 527a_100020591295_100000210198 [0,2,0,0,0,0|1,0,0]=3 8165 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 11a_100020591295_100000062450 [0,2,0,0,0,0|2,0,0]=4 8166 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 1626a_100020591295_100000062450 [0,2,0,0,0,0|2,0,0]=4 8167 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 240690a_100020591295_100000062450 [0,2,0,0,0,0|2,0,0]=4 8168 B10R0.82 CO[C@H](C)CNC(=O)C(C)F 527a_100020591295_100000062450 [0,2,0,0,0,0|2,0,0]=4 8169 B10R0.82 CO[C@H](C)CNC(=O)N(C)C 2708a_100020591295_100102631434 [0,2,0,0,0,0|2,0,0]=4 8170 B10R0.82 CO[C@H](C)CNC(=O)[C@@H](C)O 240690a_100020591295_100000717761 [0,2,0,0,0,0|2,0,0]=4 8171 B10R0.82 CO[C@H](C)CNC(=O)[C@H](C)O 1626a_100020591295_217856618621 [0,2,0,0,0,0|2,0,0]=4 8172 B10R0.82 CO[C@H](C)CNC(=O)[C@H](C)O 240690a_100020591295_217856618621 [0,2,0,0,0,0|2,0,0]=4 8173 B10R0.82 C[C@@H](O)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000717761 [0,2,0,0,0,0|2,0,0]=4 8174 B10R0.82 C[C@@H](O)C(=O)NC[C@H](O)CO 240690a_100020644852_100000717761 [0,2,0,0,0,0|2,0,0]=4 8175 B10R0.82 C[C@H](CO)NCC(=O)N(C)C 2230a_100000737577_100000185267 [0,2,0,0,0,0|2,0,0]=4 8176 B10R0.82 C[C@H](CO)SCC(=O)N(C)C 62a_100000692301_100016084084 [0,2,0,0,0,0|2,0,0]=4 8177 B10R0.82 C[C@H](CO)SCC(=O)N(C)C 62a_100016084084_100000692301 [0,2,0,0,0,0|2,0,0]=4 8178 B10R0.82 C[C@H](O)C(=O)NC[C@@H](F)CO 240690a_100015665980_217856618621 [0,2,0,0,0,0|2,0,0]=4 8179 B10R0.82 C[C@H](O)C(=O)NC[C@H](O)CO 240690a_100020644852_217856618621 [0,2,0,0,0,0|2,0,0]=4 8180 B10R0.84 CCN(CCC(C)C)C(C)C 2230a_100000207693_100000210206 [0,2,0,0,0,0|2,0,0]=4 8181 B10R0.84 CCN(CCC(C)C)C(C)C 2230a_100000223864_100000210312 [0,2,0,0,0,0|2,0,0]=4 8182 B10R0.84 CCN(CCC(C)C)C(C)C 269982a_100000207693_100000210206 [0,2,0,0,0,0|2,0,0]=4 8183 B10R0.84 CCN(CCC(C)C)C(C)C 269982a_100000223864_100000210312 [0,2,0,0,0,0|2,0,0]=4 8184 B10R0.84 CCN(CCC(C)O)C(C)C 2230a_100000223864_100012276601 [0,2,0,0,0,0|2,0,0]=4 8185 B10R0.84 CCN(CCC(C)O)C(C)C 269982a_100000223864_100012276601 [0,2,0,0,0,0|2,0,0]=4 8186 B10R0.92 C=C(C)C(=O)CCC(C)(C)C 1458a_100000185857_100000755188 [0,2,0,0,0,0|0,0,2]=4 8187 B10R0.92 CC(C)(C)CCC(=O)C(O)O 1458a_100000233687_100000755188 [0,2,0,0,0,0|2,0,0]=4 8188 B10R0.92 CC(C)C(=O)C#CC(C)(C)C 1458a_100011966651_100000210206 [0,2,0,0,0,0|0,0,2]=4 8189 B10R0.92 CC(C)C(=O)CCC(C)(C)C 1458a_100000210198_100000755188 [0,2,0,0,0,0|0,0,0]=2 8190 B10R0.92 CC(C)C(=O)CCC(C)(C)C 1458a_100000757465_100000210206 [0,2,0,0,0,0|0,0,0]=2 8191 B10R0.92 CC(C)C(=O)CCC(C)(F)F 1458a_100000030992_100000210206 [0,2,0,0,0,0|0,0,0]=2 8192 B10R0.92 CC(C)C(=O)CCC(F)(F)F 1458a_100000210198_100011219754 [0,2,0,0,0,0|1,0,0]=3 8193 B10R0.92 CC(C)C(=O)CCC(F)(F)F 1458a_100000755318_100000210206 [0,2,0,0,0,0|1,0,0]=3 8194 B10R0.92 CC(C)C(=O)CCS(=O)(=O)C 1458a_100000210198_100000731031 [0,2,0,0,0,0|1,0,0]=3 8195 B10R0.92 CC(C)C(=O)CCS(=O)(=O)C 1458a_100000737124_100000210206 [0,2,0,0,0,0|1,0,0]=3 8196 B10R0.92 CC(C)C(=O)CCS(=O)(=O)N 1458a_100000737202_100000210206 [0,2,0,0,0,0|2,0,0]=4 8197 B10R0.92 CC(C)C(=O)CCS(=O)(=O)[O-] 1458a_100000210198_100000762736 [0,2,0,0,0,0|2,0,0]=4 8198 B10R0.92 CC(C)C(=O)CC[N+](C)(C)C 1458a_100000210198_100000085578 [0,2,0,0,0,0|1,0,0]=3 8199 B10R0.92 CC(C)C(=O)CC[Si](C)(C)C 1458a_100000210198_200000733723 [0,2,0,0,0,0|0,1,0]=3 8200 B10R0.92 CC(C)C(=O)CC[Si](C)(C)C 1458a_100011215282_100000210206 [0,2,0,0,0,0|0,1,0]=3 8201 B10R0.92 CC(C)C(=O)CNC(C)(C)C 2230a_100000715429_100000753385 [0,2,0,0,0,0|1,0,0]=3 8202 B10R0.92 CC(C)C(=O)CNS(=O)(=O)C 1458a_100000737300_100000210206 [0,2,0,0,0,0|2,0,0]=4 8203 B10R0.92 CC(C)C(=O)COC(C)(C)C 1458a_100000686494_100000210206 [0,2,0,0,0,0|1,0,0]=3 8204 B10R0.92 CC(C)C(=O)COC(C)(C)C 34a_100015890283_100000753385 [0,2,0,0,0,0|1,0,0]=3 8205 B10R0.92 CC(C)C(=O)COC(C)(C)C 7a_100015890283_100000753385 [0,2,0,0,0,0|1,0,0]=3 8206 B10R0.92 CC(C)C(=O)CSC(C)(C)C 62a_100000211941_100000753385 [0,2,0,0,0,0|1,0,0]=3 8207 B10R0.92 CC(C)C(=O)CSC(C)(C)C 62a_100000753385_100000211941 [0,2,0,0,0,0|1,0,0]=3 8208 B10R0.92 CC(C)C(=O)CSC(F)(F)F 62a_100000753385_200103152311 [0,2,0,0,0,0|2,0,0]=4 8209 B10R0.92 CC(C)C(=O)CSC(F)(F)F 62a_200000243211_100000753385 [0,2,0,0,0,0|2,0,0]=4 8210 B10R0.92 CC(C)C(=O)NCC(C)(C)C 11a_100000743828_100000210198 [0,2,0,0,0,0|1,0,0]=3 8211 B10R0.92 CC(C)C(=O)NCC(C)(C)C 1626a_100000743828_100000210198 [0,2,0,0,0,0|1,0,0]=3 8212 B10R0.92 CC(C)C(=O)NCC(C)(C)C 240690a_100000743828_100000210198 [0,2,0,0,0,0|1,0,0]=3 8213 B10R0.92 CC(C)C(=O)NCC(C)(C)C 527a_100000743828_100000210198 [0,2,0,0,0,0|1,0,0]=3 8214 B10R0.92 CC(C)C(=O)NCC(C)(C)F 11a_100020643315_100000210198 [0,2,0,0,0,0|1,0,0]=3 8215 B10R0.92 CC(C)C(=O)NCC(C)(C)F 1626a_100020643315_100000210198 [0,2,0,0,0,0|1,0,0]=3 8216 B10R0.92 CC(C)C(=O)NCC(C)(C)F 240690a_100020643315_100000210198 [0,2,0,0,0,0|1,0,0]=3 8217 B10R0.92 CC(C)C(=O)NCC(C)(C)F 527a_100020643315_100000210198 [0,2,0,0,0,0|1,0,0]=3 8218 B10R0.92 CC(C)C(=O)NCC(C)(C)O 1626a_100000751335_100000210198 [0,2,0,0,0,0|1,0,0]=3 8219 B10R0.92 CC(C)C(=O)NCC(C)(C)O 240690a_100000751335_100000210198 [0,2,0,0,0,0|1,0,0]=3 8220 B10R0.92 CC(C)C(=O)NCC(C)(C)O 527a_100000751335_100000210198 [0,2,0,0,0,0|1,0,0]=3 8221 B10R0.92 CC(C)C(=O)NCC(C)(F)F 11a_100000731000_100000210198 [0,2,0,0,0,0|1,0,0]=3 8222 B10R0.92 CC(C)C(=O)NCC(C)(F)F 1626a_100000731000_100000210198 [0,2,0,0,0,0|1,0,0]=3 8223 B10R0.92 CC(C)C(=O)NCC(C)(F)F 240690a_100000731000_100000210198 [0,2,0,0,0,0|1,0,0]=3 8224 B10R0.92 CC(C)C(=O)NCC(C)(F)F 527a_100000731000_100000210198 [0,2,0,0,0,0|1,0,0]=3 8225 B10R0.92 CC(C)C(=O)NCC(F)(F)F 11a_100000717047_100000210198 [0,2,0,0,0,0|2,0,0]=4 8226 B10R0.92 CC(C)C(=O)NCC(F)(F)F 1626a_100000717047_100000210198 [0,2,0,0,0,0|2,0,0]=4 8227 B10R0.92 CC(C)C(=O)NCC(F)(F)F 240690a_100000717047_100000210198 [0,2,0,0,0,0|2,0,0]=4 8228 B10R0.92 CC(C)C(=O)NCC(F)(F)F 527a_100000717047_100000210198 [0,2,0,0,0,0|2,0,0]=4 8229 B10R0.92 CC(C)C(=O)NC[Si](C)(C)C 11a_102516607284_100000210198 [0,2,0,0,0,0|1,1,0]=4 8230 B10R0.92 CC(C)C(=O)NC[Si](C)(C)C 1626a_102516607284_100000210198 [0,2,0,0,0,0|1,1,0]=4 8231 B10R0.92 CC(C)C(=O)NC[Si](C)(C)C 240690a_102516607284_100000210198 [0,2,0,0,0,0|1,1,0]=4 8232 B10R0.92 CC(C)C(=O)NC[Si](C)(C)C 527a_102516607284_100000210198 [0,2,0,0,0,0|1,1,0]=4 8233 B10R0.92 CC(C)C(=O)NNC(C)(C)C 22a_100000725372_100000210198 [0,2,0,0,0,0|2,0,0]=4 8234 B10R0.92 CC(C)N(C)CCC(C)(C)C 269982a_200000211004_100000755188 [0,2,0,0,0,0|2,0,0]=4 8235 B10R0.92 CC(F)C(=O)CCC(C)(C)C 1458a_100000062450_100000755188 [0,2,0,0,0,0|1,0,0]=3 8236 B10R0.92 CC(F)C(=O)CCC(F)(F)F 1458a_100000062450_100011219754 [0,2,0,0,0,0|2,0,0]=4 8237 B10R0.92 CC(F)C(=O)CCS(=O)(=O)C 1458a_100000062450_100000731031 [0,2,0,0,0,0|2,0,0]=4 8238 B10R0.92 CC(F)C(=O)CC[N+](C)(C)C 1458a_100000062450_100000085578 [0,2,0,0,0,0|2,0,0]=4 8239 B10R0.92 CC(F)C(=O)CC[Si](C)(C)C 1458a_100000062450_200000733723 [0,2,0,0,0,0|1,1,0]=4 8240 B10R0.92 CC(F)C(=O)NCC(C)(C)C 11a_100000743828_100000062450 [0,2,0,0,0,0|2,0,0]=4 8241 B10R0.92 CC(F)C(=O)NCC(C)(C)C 1626a_100000743828_100000062450 [0,2,0,0,0,0|2,0,0]=4 8242 B10R0.92 CC(F)C(=O)NCC(C)(C)C 240690a_100000743828_100000062450 [0,2,0,0,0,0|2,0,0]=4 8243 B10R0.92 CC(F)C(=O)NCC(C)(C)C 527a_100000743828_100000062450 [0,2,0,0,0,0|2,0,0]=4 8244 B10R0.92 CC(F)C(=O)NCC(C)(C)F 11a_100020643315_100000062450 [0,2,0,0,0,0|2,0,0]=4 8245 B10R0.92 CC(F)C(=O)NCC(C)(C)F 1626a_100020643315_100000062450 [0,2,0,0,0,0|2,0,0]=4 8246 B10R0.92 CC(F)C(=O)NCC(C)(C)F 240690a_100020643315_100000062450 [0,2,0,0,0,0|2,0,0]=4 8247 B10R0.92 CC(F)C(=O)NCC(C)(C)F 527a_100020643315_100000062450 [0,2,0,0,0,0|2,0,0]=4 8248 B10R0.92 CC(F)C(=O)NCC(C)(C)O 1626a_100000751335_100000062450 [0,2,0,0,0,0|2,0,0]=4 8249 B10R0.92 CC(F)C(=O)NCC(C)(C)O 240690a_100000751335_100000062450 [0,2,0,0,0,0|2,0,0]=4 8250 B10R0.92 CC(F)C(=O)NCC(C)(C)O 527a_100000751335_100000062450 [0,2,0,0,0,0|2,0,0]=4 8251 B10R0.92 CC(F)C(=O)NCC(C)(F)F 11a_100000731000_100000062450 [0,2,0,0,0,0|2,0,0]=4 8252 B10R0.92 CC(F)C(=O)NCC(C)(F)F 1626a_100000731000_100000062450 [0,2,0,0,0,0|2,0,0]=4 8253 B10R0.92 CC(F)C(=O)NCC(C)(F)F 240690a_100000731000_100000062450 [0,2,0,0,0,0|2,0,0]=4 8254 B10R0.92 CC(F)C(=O)NCC(C)(F)F 527a_100000731000_100000062450 [0,2,0,0,0,0|2,0,0]=4 8255 B10R0.92 CN(C)C(=O)CCC(C)(C)C 11a_100102631434_100000757465 [0,2,0,0,0,0|1,0,0]=3 8256 B10R0.92 CN(C)C(=O)CCC(C)(C)C 1626a_100102631434_100000757465 [0,2,0,0,0,0|1,0,0]=3 8257 B10R0.92 CN(C)C(=O)CCC(C)(C)C 240690a_100102631434_100000757465 [0,2,0,0,0,0|1,0,0]=3 8258 B10R0.92 CN(C)C(=O)CCC(C)(C)C 527a_100102631434_100000757465 [0,2,0,0,0,0|1,0,0]=3 8259 B10R0.92 CN(C)C(=O)CCC(C)(F)F 11a_100102631434_100000030992 [0,2,0,0,0,0|1,0,0]=3 8260 B10R0.92 CN(C)C(=O)CCC(C)(F)F 1626a_100102631434_100000030992 [0,2,0,0,0,0|1,0,0]=3 8261 B10R0.92 CN(C)C(=O)CCC(C)(F)F 240690a_100102631434_100000030992 [0,2,0,0,0,0|1,0,0]=3 8262 B10R0.92 CN(C)C(=O)CCC(C)(F)F 527a_100102631434_100000030992 [0,2,0,0,0,0|1,0,0]=3 8263 B10R0.92 CN(C)C(=O)CCC(F)(F)F 11a_100102631434_100000755318 [0,2,0,0,0,0|2,0,0]=4 8264 B10R0.92 CN(C)C(=O)CCC(F)(F)F 1626a_100102631434_100000755318 [0,2,0,0,0,0|2,0,0]=4 8265 B10R0.92 CN(C)C(=O)CCC(F)(F)F 240690a_100102631434_100000755318 [0,2,0,0,0,0|2,0,0]=4 8266 B10R0.92 CN(C)C(=O)CCC(F)(F)F 527a_100102631434_100000755318 [0,2,0,0,0,0|2,0,0]=4 8267 B10R0.92 CN(C)C(=O)CCS(=O)(=O)C 11a_100102631434_100000737124 [0,2,0,0,0,0|2,0,0]=4 8268 B10R0.92 CN(C)C(=O)CCS(=O)(=O)C 1626a_100102631434_100000737124 [0,2,0,0,0,0|2,0,0]=4 8269 B10R0.92 CN(C)C(=O)CCS(=O)(=O)C 240690a_100102631434_100000737124 [0,2,0,0,0,0|2,0,0]=4 8270 B10R0.92 CN(C)C(=O)CCS(=O)(=O)C 527a_100102631434_100000737124 [0,2,0,0,0,0|2,0,0]=4 8271 B10R0.92 CN(C)C(=O)CC[Si](C)(C)C 1626a_100102631434_100011215282 [0,2,0,0,0,0|1,1,0]=4 8272 B10R0.92 CN(C)C(=O)CC[Si](C)(C)C 240690a_100102631434_100011215282 [0,2,0,0,0,0|1,1,0]=4 8273 B10R0.92 CN(C)C(=O)CC[Si](C)(C)C 527a_100102631434_100011215282 [0,2,0,0,0,0|1,1,0]=4 8274 B10R0.92 CN(C)C(=O)CNC(C)(C)C 2230a_100000715429_100000185267 [0,2,0,0,0,0|2,0,0]=4 8275 B10R0.92 CN(C)C(=O)COC(C)(C)C 11a_100102631434_100000686494 [0,2,0,0,0,0|2,0,0]=4 8276 B10R0.92 CN(C)C(=O)COC(C)(C)C 1626a_100102631434_100000686494 [0,2,0,0,0,0|2,0,0]=4 8277 B10R0.92 CN(C)C(=O)COC(C)(C)C 240690a_100102631434_100000686494 [0,2,0,0,0,0|2,0,0]=4 8278 B10R0.92 CN(C)C(=O)COC(C)(C)C 34a_100015890283_100000692301 [0,2,0,0,0,0|2,0,0]=4 8279 B10R0.92 CN(C)C(=O)COC(C)(C)C 527a_100102631434_100000686494 [0,2,0,0,0,0|2,0,0]=4 8280 B10R0.92 CN(C)C(=O)COC(C)(C)C 7a_100015890283_100000692301 [0,2,0,0,0,0|2,0,0]=4 8281 B10R0.92 CN(C)C(=O)CSC(C)(C)C 62a_100000211941_100000692301 [0,2,0,0,0,0|2,0,0]=4 8282 B10R0.92 CN(C)C(=O)CSC(C)(C)C 62a_100000692301_100000211941 [0,2,0,0,0,0|2,0,0]=4 8283 B10R0.92 CN(C)C(=O)NCC(C)(C)C 2708a_100000743828_100102631434 [0,2,0,0,0,0|2,0,0]=4 8284 B10R0.92 CN(C)C(=O)NCC(C)(C)F 2708a_100020643315_100102631434 [0,2,0,0,0,0|2,0,0]=4 8285 B10R0.92 C[C@@H](O)C(=O)CCC(C)(C)C 1458a_100000717761_100000755188 [0,2,0,0,0,0|1,0,0]=3 8286 B10R0.92 C[C@@H](O)C(=O)CCC(F)(F)F 1458a_100000717761_100011219754 [0,2,0,0,0,0|2,0,0]=4 8287 B10R0.92 C[C@@H](O)C(=O)CCS(=O)(=O)C 1458a_100000717761_100000731031 [0,2,0,0,0,0|2,0,0]=4 8288 B10R0.92 C[C@@H](O)C(=O)CC[N+](C)(C)C 1458a_100000717761_100000085578 [0,2,0,0,0,0|2,0,0]=4 8289 B10R0.92 C[C@@H](O)C(=O)CC[Si](C)(C)C 1458a_100000717761_200000733723 [0,2,0,0,0,0|1,1,0]=4 8290 B10R0.92 C[C@@H](O)C(=O)NCC(C)(C)C 240690a_100000743828_100000717761 [0,2,0,0,0,0|2,0,0]=4 8291 B10R0.92 C[C@@H](O)C(=O)NCC(C)(C)F 240690a_100020643315_100000717761 [0,2,0,0,0,0|2,0,0]=4 8292 B10R0.92 C[C@@H](O)C(=O)NCC(C)(C)O 240690a_100000751335_100000717761 [0,2,0,0,0,0|2,0,0]=4 8293 B10R0.92 C[C@@H](O)C(=O)NCC(C)(F)F 240690a_100000731000_100000717761 [0,2,0,0,0,0|2,0,0]=4 8294 B10R0.92 C[C@H](O)C(=O)CCC(C)(C)C 1458a_217856618621_100000755188 [0,2,0,0,0,0|1,0,0]=3 8295 B10R0.92 C[C@H](O)C(=O)CCC(F)(F)F 1458a_217856618621_100011219754 [0,2,0,0,0,0|2,0,0]=4 8296 B10R0.92 C[C@H](O)C(=O)CCS(=O)(=O)C 1458a_217856618621_100000731031 [0,2,0,0,0,0|2,0,0]=4 8297 B10R0.92 C[C@H](O)C(=O)CC[N+](C)(C)C 1458a_217856618621_100000085578 [0,2,0,0,0,0|2,0,0]=4 8298 B10R0.92 C[C@H](O)C(=O)CC[Si](C)(C)C 1458a_217856618621_200000733723 [0,2,0,0,0,0|1,1,0]=4 8299 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)C 1626a_100000743828_217856618621 [0,2,0,0,0,0|2,0,0]=4 8300 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)C 240690a_100000743828_217856618621 [0,2,0,0,0,0|2,0,0]=4 8301 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)F 1626a_100020643315_217856618621 [0,2,0,0,0,0|2,0,0]=4 8302 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)F 240690a_100020643315_217856618621 [0,2,0,0,0,0|2,0,0]=4 8303 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)O 1626a_100000751335_217856618621 [0,2,0,0,0,0|2,0,0]=4 8304 B10R0.92 C[C@H](O)C(=O)NCC(C)(C)O 240690a_100000751335_217856618621 [0,2,0,0,0,0|2,0,0]=4 8305 B10R0.92 C[C@H](O)C(=O)NCC(C)(F)F 1626a_100000731000_217856618621 [0,2,0,0,0,0|2,0,0]=4 8306 B10R0.92 C[C@H](O)C(=O)NCC(C)(F)F 240690a_100000731000_217856618621 [0,2,0,0,0,0|2,0,0]=4 8307 B10R0.93 C=C(C)C(=O)CC(=O)C(C)C 1458a_100000185857_100000753385 [0,2,0,0,0,0|0,0,2]=4 8308 B10R0.93 CC(=O)C(=O)CC(=O)C(C)C 1458a_100000210198_100011261029 [0,2,0,0,0,0|0,0,2]=4 8309 B10R0.93 CC(=O)N(C)CC(=O)C(C)C 1458a_100000194957_100000210206 [0,2,0,0,0,0|1,0,1]=4 8310 B10R0.93 CC(C)C(=O)CC(=O)C(C)C 1458a_100000210198_100000753385 [0,2,0,0,0,0|0,0,1]=3 8311 B10R0.93 CC(C)C(=O)CC(=O)C(C)F 1458a_100000062450_100000753385 [0,2,0,0,0,0|0,0,1]=3 8312 B10R0.93 CC(C)C(=O)CC(=O)C(O)O 1458a_100000233687_100000753385 [0,2,0,0,0,0|1,0,1]=4 8313 B10R0.93 CC(C)C(=O)CC(=O)N(C)C 1458a_100000210198_100000185267 [0,2,0,0,0,0|1,0,1]=4 8314 B10R0.93 CC(C)C(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000753385 [0,2,0,0,0,0|0,0,1]=3 8315 B10R0.93 CC(C)C(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000753385 [0,2,0,0,0,0|0,0,1]=3 8316 B10R0.93 CC(C)C(=O)CC(C)N(C)C 1458a_100011311895_100000210206 [0,2,0,0,0,0|1,0,0]=3 8317 B10R0.93 CC(C)C(=O)CN(C)C(C)C 1458a_100000743827_100000210206 [0,2,0,0,0,0|1,0,0]=3 8318 B10R0.93 CC(C)C(=O)CN(C)C(C)C 269982a_200000211004_100000753385 [0,2,0,0,0,0|1,0,0]=3 8319 B10R0.93 CC(C)C(=O)NC(C)C(C)C 11a_100000211541_100000210198 [0,2,0,0,0,0|1,0,0]=3 8320 B10R0.93 CC(C)C(=O)NC(C)C(C)C 1626a_100000211541_100000210198 [0,2,0,0,0,0|1,0,0]=3 8321 B10R0.93 CC(C)C(=O)NC(C)C(C)C 240690a_100000211541_100000210198 [0,2,0,0,0,0|1,0,0]=3 8322 B10R0.93 CC(C)C(=O)NC(C)C(C)C 527a_100000211541_100000210198 [0,2,0,0,0,0|1,0,0]=3 8323 B10R0.93 CC(C)C(C)NC(=O)N(C)C 2708a_100000211541_100102631434 [0,2,0,0,0,0|2,0,0]=4 8324 B10R0.93 CC(C)C(C)NC(=O)[C@@H](C)O 240690a_100000211541_100000717761 [0,2,0,0,0,0|2,0,0]=4 8325 B10R0.93 CC(C)C(C)NC(=O)[C@H](C)O 1626a_100000211541_217856618621 [0,2,0,0,0,0|2,0,0]=4 8326 B10R0.93 CC(C)C(C)NC(=O)[C@H](C)O 240690a_100000211541_217856618621 [0,2,0,0,0,0|2,0,0]=4 8327 B10R0.93 CC(C)N(C)CC(=O)N(C)C 11a_100102631434_100000743827 [0,2,0,0,0,0|2,0,0]=4 8328 B10R0.93 CC(C)N(C)CC(=O)N(C)C 1626a_100102631434_100000743827 [0,2,0,0,0,0|2,0,0]=4 8329 B10R0.93 CC(C)N(C)CC(=O)N(C)C 2230a_100000185065_100000210206 [0,2,0,0,0,0|2,0,0]=4 8330 B10R0.93 CC(C)N(C)CC(=O)N(C)C 240690a_100102631434_100000743827 [0,2,0,0,0,0|2,0,0]=4 8331 B10R0.93 CC(C)N(C)CC(=O)N(C)C 269982a_200000211004_100000185267 [0,2,0,0,0,0|2,0,0]=4 8332 B10R0.93 CC(C)N(C)CC(=O)N(C)C 527a_100102631434_100000743827 [0,2,0,0,0,0|2,0,0]=4 8333 B10R0.93 CC(CC(=O)N(C)C)N(C)C 1626a_100102631434_100011311895 [0,2,0,0,0,0|2,0,0]=4 8334 B10R0.93 CC(CC(=O)N(C)C)N(C)C 240690a_100102631434_100011311895 [0,2,0,0,0,0|2,0,0]=4 8335 B10R0.93 CC(F)C(=O)CC(=O)N(C)C 1458a_100000062450_100000185267 [0,2,0,0,0,0|1,0,1]=4 8336 B10R0.93 CC(F)C(=O)NC(C)C(C)C 11a_100000211541_100000062450 [0,2,0,0,0,0|2,0,0]=4 8337 B10R0.93 CC(F)C(=O)NC(C)C(C)C 1626a_100000211541_100000062450 [0,2,0,0,0,0|2,0,0]=4 8338 B10R0.93 CC(F)C(=O)NC(C)C(C)C 240690a_100000211541_100000062450 [0,2,0,0,0,0|2,0,0]=4 8339 B10R0.93 CC(F)C(=O)NC(C)C(C)C 527a_100000211541_100000062450 [0,2,0,0,0,0|2,0,0]=4 8340 B10R0.93 C[C@@H](O)C(=O)CC(=O)N(C)C 1458a_100000717761_100000185267 [0,2,0,0,0,0|1,0,1]=4 8341 B10R0.93 C[C@H](O)C(=O)CC(=O)N(C)C 1458a_217856618621_100000185267 [0,2,0,0,0,0|1,0,1]=4 8342 B10R0.19 C#CCCC(=O)C(C)CC#N 1458a_100000692101_100009813641 [0,2,0,0,0,0|0,0,2]=4 8343 B10R0.19 C#CCCC(=O)C(C)CC=C 1458a_100011216819_100000753159 [0,2,0,0,0,0|0,0,2]=4 8344 B10R0.19 C#CCCC(=O)C(C)CCC 1458a_100000210906_100000753159 [0,2,0,0,0,0|0,0,2]=4 8345 B10R0.19 C#CCCC(=O)C(C)CCC 1458a_100000692101_100000766640 [0,2,0,0,0,0|0,0,2]=4 8346 B10R0.19 C#CCCC(=O)C(C)CCO 1458a_100000692101_100009893172 [0,2,0,0,0,0|0,0,2]=4 8347 B10R0.19 C#CCCC(=O)C(C)COC 1458a_100000692101_100000765312 [0,2,0,0,0,0|0,0,2]=4 8348 B10R0.19 C#CCCC(=O)C(C)COC 1458a_100000751857_100000753159 [0,2,0,0,0,0|0,0,2]=4 8349 B10R0.19 C#CCCC(=O)C(C)CSC 1458a_100000753918_100000753159 [0,2,0,0,0,0|0,0,2]=4 8350 B10R0.19 C#CCCC(=O)C(C)OCC 1458a_100000739345_100000753159 [0,2,0,0,0,0|0,0,2]=4 8351 B10R0.19 C#CCCC(=O)C(C)SCC 1458a_100000230601_100000753159 [0,2,0,0,0,0|0,0,2]=4 8352 B10R0.19 C#CCN(C)C(=O)CCCC 11a_100000225692_100000210183 [0,2,0,0,0,0|1,0,0]=3 8353 B10R0.19 C#CCN(C)C(=O)CCCC 1626a_100000225692_100000210183 [0,2,0,0,0,0|1,0,0]=3 8354 B10R0.19 C#CCN(C)C(=O)CCCC 527a_100000225692_100000210183 [0,2,0,0,0,0|1,0,0]=3 8355 B10R0.19 C#CCN(C)C(=O)CCOC 11a_100000225692_100000749529 [0,2,0,0,0,0|2,0,0]=4 8356 B10R0.19 C#CCN(C)C(=O)CCOC 1626a_100000225692_100000749529 [0,2,0,0,0,0|2,0,0]=4 8357 B10R0.19 C#CCN(C)C(=O)CCOC 527a_100000225692_100000749529 [0,2,0,0,0,0|2,0,0]=4 8358 B10R0.19 C#CCN(C)C(=O)CCSC 11a_100000225692_100000174002 [0,2,0,0,0,0|2,0,0]=4 8359 B10R0.19 C#CCN(C)C(=O)CCSC 1626a_100000225692_100000174002 [0,2,0,0,0,0|2,0,0]=4 8360 B10R0.19 C#CCN(C)C(=O)CCSC 527a_100000225692_100000174002 [0,2,0,0,0,0|2,0,0]=4 8361 B10R0.19 C#CCN(C)C(=O)COCC 11a_100000225692_100000211967 [0,2,0,0,0,0|2,0,0]=4 8362 B10R0.19 C#CCN(C)C(=O)COCC 1626a_100000225692_100000211967 [0,2,0,0,0,0|2,0,0]=4 8363 B10R0.19 C#CCN(C)C(=O)COCC 527a_100000225692_100000211967 [0,2,0,0,0,0|2,0,0]=4 8364 B10R0.19 C#CCN(C)C(=O)CSCC 11a_100000225692_100000230394 [0,2,0,0,0,0|2,0,0]=4 8365 B10R0.19 C#CCN(C)C(=O)CSCC 1626a_100000225692_100000230394 [0,2,0,0,0,0|2,0,0]=4 8366 B10R0.19 C#CCN(C)C(=O)CSCC 527a_100000225692_100000230394 [0,2,0,0,0,0|2,0,0]=4 8367 B10R0.19 C#CCN(C)C(=O)NCCC 2708a_100020643023_100000225692 [0,2,0,0,0,0|2,0,0]=4 8368 B10R0.19 C#CCN(C)C(=O)NCCC 273464a_100020643023_100000225692 [0,2,0,0,0,0|2,0,0]=4 8369 B10R0.19 C/C=C/CC(=O)C(C)CCC 1458a_100000210906_100102629194 [0,2,0,0,0,0|0,0,2]=4 8370 B10R0.19 C/C=C/CC(=O)C(C)COC 1458a_100000751857_100102629194 [0,2,0,0,0,0|0,0,2]=4 8371 B10R0.19 C/C=C/CC(=O)C(C)CSC 1458a_100000753918_100102629194 [0,2,0,0,0,0|0,0,2]=4 8372 B10R0.19 C/C=C/CC(=O)C(C)OCC 1458a_100000739345_100102629194 [0,2,0,0,0,0|0,0,2]=4 8373 B10R0.19 C/C=C/CC(=O)C(C)SCC 1458a_100000230601_100102629194 [0,2,0,0,0,0|0,0,2]=4 8374 B10R0.19 C=CCC(C)C(=O)C/C=C/C 1458a_100011216819_100102629194 [0,2,0,0,0,0|0,0,2]=4 8375 B10R0.19 C=CCC(C)C(=O)CC#CC 1458a_100011216819_100000748600 [0,2,0,0,0,0|0,0,2]=4 8376 B10R0.19 C=CCC(C)C(=O)CC=CC 1458a_100011216819_100000070051 [0,2,0,0,0,0|0,0,2]=4 8377 B10R0.19 C=CCC(C)C(=O)CCC#N 1458a_100011216819_100011215226 [0,2,0,0,0,0|1,0,1]=4 8378 B10R0.19 C=CCC(C)C(=O)CCCC 1458a_100011216819_100000210211 [0,2,0,0,0,0|0,0,0]=2 8379 B10R0.19 C=CCC(C)C(=O)CCCF 1458a_100011216819_100011934791 [0,2,0,0,0,0|1,0,0]=3 8380 B10R0.19 C=CCC(C)C(=O)CCCO 1458a_100011216819_100011215043 [0,2,0,0,0,0|1,0,0]=3 8381 B10R0.19 C=CCC(C)C(=O)CCOC 1458a_100011216819_100000233755 [0,2,0,0,0,0|1,0,0]=3 8382 B10R0.19 C=CCC(C)C(=O)CCSC 1458a_100011216819_100000751147 [0,2,0,0,0,0|1,0,0]=3 8383 B10R0.19 C=CCC(C)C(=O)NCCC 11a_100020643023_100011216819 [0,2,0,0,0,0|1,0,0]=3 8384 B10R0.19 C=CCC(C)C(=O)NCCC 1626a_100020643023_100011216819 [0,2,0,0,0,0|1,0,0]=3 8385 B10R0.19 C=CCC(C)C(=O)NCCC 240690a_100020643023_100011216819 [0,2,0,0,0,0|1,0,0]=3 8386 B10R0.19 C=CCC(C)C(=O)NCCC 527a_100020643023_100011216819 [0,2,0,0,0,0|1,0,0]=3 8387 B10R0.19 C=CCC(C)C(=O)NCCF 11a_100000724931_100011216819 [0,2,0,0,0,0|2,0,0]=4 8388 B10R0.19 C=CCC(C)C(=O)NCCF 1626a_100000724931_100011216819 [0,2,0,0,0,0|2,0,0]=4 8389 B10R0.19 C=CCC(C)C(=O)NCCF 240690a_100000724931_100011216819 [0,2,0,0,0,0|2,0,0]=4 8390 B10R0.19 C=CCC(C)C(=O)NCCF 527a_100000724931_100011216819 [0,2,0,0,0,0|2,0,0]=4 8391 B10R0.19 C=CCC(C)C(=O)NCCO 240690a_100000210304_100011216819 [0,2,0,0,0,0|2,0,0]=4 8392 B10R0.19 C=CCC(C)C(=O)NCCO 527a_100000210304_100011216819 [0,2,0,0,0,0|2,0,0]=4 8393 B10R0.19 C=CCC(C)C(=O)NNCC 22a_100000756455_100011216819 [0,2,0,0,0,0|2,0,0]=4 8394 B10R0.19 C=CCCC(=O)C(C)CC#N 1458a_100000749702_100009813641 [0,2,0,0,0,0|0,0,2]=4 8395 B10R0.19 C=CCCC(=O)C(C)CC=C 1458a_100011216819_100000754431 [0,2,0,0,0,0|0,0,2]=4 8396 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000210906_100000754431 [0,2,0,0,0,0|0,0,2]=4 8397 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000749702_100000766640 [0,2,0,0,0,0|0,0,2]=4 8398 B10R0.19 C=CCCC(=O)C(C)CCO 1458a_100000749702_100009893172 [0,2,0,0,0,0|0,0,2]=4 8399 B10R0.19 C=CCCC(=O)C(C)COC 1458a_100000749702_100000765312 [0,2,0,0,0,0|0,0,2]=4 8400 B10R0.19 C=CCCC(=O)C(C)COC 1458a_100000751857_100000754431 [0,2,0,0,0,0|0,0,2]=4 8401 B10R0.19 C=CCCC(=O)C(C)CSC 1458a_100000753918_100000754431 [0,2,0,0,0,0|0,0,2]=4 8402 B10R0.19 C=CCCC(=O)C(C)OCC 1458a_100000739345_100000754431 [0,2,0,0,0,0|0,0,2]=4 8403 B10R0.19 C=CCCC(=O)C(C)SCC 1458a_100000230601_100000754431 [0,2,0,0,0,0|0,0,2]=4 8404 B10R0.19 C=CCN(C)C(=O)CCCC 11a_100000225617_100000210183 [0,2,0,0,0,0|1,0,0]=3 8405 B10R0.19 C=CCN(C)C(=O)CCCC 1626a_100000225617_100000210183 [0,2,0,0,0,0|1,0,0]=3 8406 B10R0.19 C=CCN(C)C(=O)CCCC 240690a_100000225617_100000210183 [0,2,0,0,0,0|1,0,0]=3 8407 B10R0.19 C=CCN(C)C(=O)CCCC 527a_100000225617_100000210183 [0,2,0,0,0,0|1,0,0]=3 8408 B10R0.19 C=CCN(C)C(=O)CCOC 11a_100000225617_100000749529 [0,2,0,0,0,0|2,0,0]=4 8409 B10R0.19 C=CCN(C)C(=O)CCOC 1626a_100000225617_100000749529 [0,2,0,0,0,0|2,0,0]=4 8410 B10R0.19 C=CCN(C)C(=O)CCOC 240690a_100000225617_100000749529 [0,2,0,0,0,0|2,0,0]=4 8411 B10R0.19 C=CCN(C)C(=O)CCOC 527a_100000225617_100000749529 [0,2,0,0,0,0|2,0,0]=4 8412 B10R0.19 C=CCN(C)C(=O)CCSC 11a_100000225617_100000174002 [0,2,0,0,0,0|2,0,0]=4 8413 B10R0.19 C=CCN(C)C(=O)CCSC 1626a_100000225617_100000174002 [0,2,0,0,0,0|2,0,0]=4 8414 B10R0.19 C=CCN(C)C(=O)CCSC 240690a_100000225617_100000174002 [0,2,0,0,0,0|2,0,0]=4 8415 B10R0.19 C=CCN(C)C(=O)CCSC 527a_100000225617_100000174002 [0,2,0,0,0,0|2,0,0]=4 8416 B10R0.19 C=CCN(C)C(=O)COCC 11a_100000225617_100000211967 [0,2,0,0,0,0|2,0,0]=4 8417 B10R0.19 C=CCN(C)C(=O)COCC 1626a_100000225617_100000211967 [0,2,0,0,0,0|2,0,0]=4 8418 B10R0.19 C=CCN(C)C(=O)COCC 240690a_100000225617_100000211967 [0,2,0,0,0,0|2,0,0]=4 8419 B10R0.19 C=CCN(C)C(=O)COCC 527a_100000225617_100000211967 [0,2,0,0,0,0|2,0,0]=4 8420 B10R0.19 C=CCN(C)C(=O)CSCC 11a_100000225617_100000230394 [0,2,0,0,0,0|2,0,0]=4 8421 B10R0.19 C=CCN(C)C(=O)CSCC 1626a_100000225617_100000230394 [0,2,0,0,0,0|2,0,0]=4 8422 B10R0.19 C=CCN(C)C(=O)CSCC 240690a_100000225617_100000230394 [0,2,0,0,0,0|2,0,0]=4 8423 B10R0.19 C=CCN(C)C(=O)CSCC 527a_100000225617_100000230394 [0,2,0,0,0,0|2,0,0]=4 8424 B10R0.19 C=CCN(C)C(=O)NCCC 2708a_100020643023_100000225617 [0,2,0,0,0,0|2,0,0]=4 8425 B10R0.19 C=CCN(C)C(=O)NCCC 273464a_100020643023_100000225617 [0,2,0,0,0,0|2,0,0]=4 8426 B10R0.19 CC#CCC(=O)C(C)CCC 1458a_100000210906_100000748600 [0,2,0,0,0,0|0,0,2]=4 8427 B10R0.19 CC#CCC(=O)C(C)COC 1458a_100000751857_100000748600 [0,2,0,0,0,0|0,0,2]=4 8428 B10R0.19 CC#CCC(=O)C(C)CSC 1458a_100000753918_100000748600 [0,2,0,0,0,0|0,0,2]=4 8429 B10R0.19 CC#CCC(=O)C(C)OCC 1458a_100000739345_100000748600 [0,2,0,0,0,0|0,0,2]=4 8430 B10R0.19 CC#CCC(=O)C(C)SCC 1458a_100000230601_100000748600 [0,2,0,0,0,0|0,0,2]=4 8431 B10R0.19 CC(CC#N)C(=O)CCC#N 1458a_100011934036_100009813641 [0,2,0,0,0,0|1,0,1]=4 8432 B10R0.19 CC(CCO)C(=O)CCC#N 1458a_100011934036_100009893172 [0,2,0,0,0,0|1,0,1]=4 8433 B10R0.19 CC/C=C(\C)/C(=O)CCCC 1458a_100016988807_100000210211 [0,2,0,0,0,0|0,0,1]=3 8434 B10R0.19 CC/C=C(\C)/C(=O)CCCF 1458a_100016988807_100011934791 [0,2,0,0,0,0|1,0,1]=4 8435 B10R0.19 CC/C=C(\C)/C(=O)CCCO 1458a_100016988807_100011215043 [0,2,0,0,0,0|1,0,1]=4 8436 B10R0.19 CC/C=C(\C)/C(=O)CCOC 1458a_100016988807_100000233755 [0,2,0,0,0,0|1,0,1]=4 8437 B10R0.19 CC/C=C(\C)/C(=O)CCSC 1458a_100016988807_100000751147 [0,2,0,0,0,0|1,0,1]=4 8438 B10R0.19 CC/C=C(\C)/C(=O)NCCC 11a_100020643023_100016988807 [0,2,0,0,0,0|1,0,1]=4 8439 B10R0.19 CC/C=C(\C)/C(=O)NCCC 1626a_100020643023_100016988807 [0,2,0,0,0,0|1,0,1]=4 8440 B10R0.19 CC/C=C(\C)/C(=O)NCCC 240690a_100020643023_100016988807 [0,2,0,0,0,0|1,0,1]=4 8441 B10R0.19 CC/C=C(\C)/C(=O)NCCC 527a_100020643023_100016988807 [0,2,0,0,0,0|1,0,1]=4 8442 B10R0.19 CC=CCC(=O)C(C)CC#N 1458a_100121576822_100009813641 [0,2,0,0,0,0|0,0,2]=4 8443 B10R0.19 CC=CCC(=O)C(C)CCC 1458a_100000210906_100000070051 [0,2,0,0,0,0|0,0,2]=4 8444 B10R0.19 CC=CCC(=O)C(C)CCC 1458a_100121576822_100000766640 [0,2,0,0,0,0|0,0,2]=4 8445 B10R0.19 CC=CCC(=O)C(C)CCO 1458a_100121576822_100009893172 [0,2,0,0,0,0|0,0,2]=4 8446 B10R0.19 CC=CCC(=O)C(C)COC 1458a_100000751857_100000070051 [0,2,0,0,0,0|0,0,2]=4 8447 B10R0.19 CC=CCC(=O)C(C)COC 1458a_100121576822_100000765312 [0,2,0,0,0,0|0,0,2]=4 8448 B10R0.19 CC=CCC(=O)C(C)CSC 1458a_100000753918_100000070051 [0,2,0,0,0,0|0,0,2]=4 8449 B10R0.19 CC=CCC(=O)C(C)OCC 1458a_100000739345_100000070051 [0,2,0,0,0,0|0,0,2]=4 8450 B10R0.19 CC=CCC(=O)C(C)SCC 1458a_100000230601_100000070051 [0,2,0,0,0,0|0,0,2]=4 8451 B10R0.19 CCC#CC(=O)C(C)CC#N 1458a_100011827653_100009813641 [0,2,0,0,0,0|0,0,2]=4 8452 B10R0.19 CCC#CC(=O)C(C)CCC 1458a_100011827653_100000766640 [0,2,0,0,0,0|0,0,2]=4 8453 B10R0.19 CCC#CC(=O)C(C)CCO 1458a_100011827653_100009893172 [0,2,0,0,0,0|0,0,2]=4 8454 B10R0.19 CCC#CC(=O)C(C)COC 1458a_100011827653_100000765312 [0,2,0,0,0,0|0,0,2]=4 8455 B10R0.19 CCC=CC(=O)C(C)CC#N 1458a_100000212282_100009813641 [0,2,0,0,0,0|0,0,2]=4 8456 B10R0.19 CCC=CC(=O)C(C)CCC 1458a_100000212282_100000766640 [0,2,0,0,0,0|0,0,2]=4 8457 B10R0.19 CCC=CC(=O)C(C)CCO 1458a_100000212282_100009893172 [0,2,0,0,0,0|0,0,2]=4 8458 B10R0.19 CCC=CC(=O)C(C)COC 1458a_100000212282_100000765312 [0,2,0,0,0,0|0,0,2]=4 8459 B10R0.19 CCCC(C)C(=O)CCC#N 1458a_100000210906_100011215226 [0,2,0,0,0,0|1,0,1]=4 8460 B10R0.19 CCCC(C)C(=O)CCC#N 1458a_100011934036_100000766640 [0,2,0,0,0,0|1,0,1]=4 8461 B10R0.19 CCCC(C)C(=O)CCCF 1458a_100000210906_100011934791 [0,2,0,0,0,0|1,0,0]=3 8462 B10R0.19 CCCC(C)C(=O)CCCO 1458a_100000210906_100011215043 [0,2,0,0,0,0|1,0,0]=3 8463 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000210906_100000233755 [0,2,0,0,0,0|1,0,0]=3 8464 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000749529_100000766640 [0,2,0,0,0,0|1,0,0]=3 8465 B10R0.19 CCCC(C)C(=O)CCSC 1458a_100000174002_100000766640 [0,2,0,0,0,0|1,0,0]=3 8466 B10R0.19 CCCC(C)C(=O)CCSC 1458a_100000210906_100000751147 [0,2,0,0,0,0|1,0,0]=3 8467 B10R0.19 CCCC(C)C(=O)COCC 1458a_100000211967_100000766640 [0,2,0,0,0,0|1,0,0]=3 8468 B10R0.19 CCCC(C)C(=O)CSCC 1458a_100000230394_100000766640 [0,2,0,0,0,0|1,0,0]=3 8469 B10R0.19 CCCC(C)C(=O)NCCF 11a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 8470 B10R0.19 CCCC(C)C(=O)NCCF 1626a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 8471 B10R0.19 CCCC(C)C(=O)NCCF 240690a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 8472 B10R0.19 CCCC(C)C(=O)NCCF 527a_100000724931_100000210906 [0,2,0,0,0,0|2,0,0]=4 8473 B10R0.19 CCCC(C)C(=O)NCCO 240690a_100000210304_100000210906 [0,2,0,0,0,0|2,0,0]=4 8474 B10R0.19 CCCC(C)C(=O)NCCO 527a_100000210304_100000210906 [0,2,0,0,0,0|2,0,0]=4 8475 B10R0.19 CCCC(C)C(=O)NNCC 22a_100000756455_100000210906 [0,2,0,0,0,0|2,0,0]=4 8476 B10R0.19 CCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210211 [0,2,0,0,0,0|0,0,1]=3 8477 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [0,2,0,0,0,0|1,0,1]=4 8478 B10R0.19 CCCCC(=O)C(C)CC#N 1458a_100000210183_100009813641 [0,2,0,0,0,0|0,0,0]=2 8479 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210183_100000766640 [0,2,0,0,0,0|0,0,0]=2 8480 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210906_100000210211 [0,2,0,0,0,0|0,0,0]=2 8481 B10R0.19 CCCCC(=O)C(C)CCO 1458a_100000210183_100009893172 [0,2,0,0,0,0|0,0,0]=2 8482 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000210183_100000765312 [0,2,0,0,0,0|0,0,0]=2 8483 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000751857_100000210211 [0,2,0,0,0,0|0,0,0]=2 8484 B10R0.19 CCCCC(=O)C(C)CSC 1458a_100000753918_100000210211 [0,2,0,0,0,0|0,0,0]=2 8485 B10R0.19 CCCCC(=O)C(C)OCC 1458a_100000739345_100000210211 [0,2,0,0,0,0|0,0,0]=2 8486 B10R0.19 CCCCC(=O)C(C)SCC 1458a_100000230601_100000210211 [0,2,0,0,0,0|0,0,0]=2 8487 B10R0.19 CCCCC(=O)N(C)CC#N 11a_100000748184_100000210183 [0,2,0,0,0,0|1,0,0]=3 8488 B10R0.19 CCCCC(=O)N(C)CC#N 1626a_100000748184_100000210183 [0,2,0,0,0,0|1,0,0]=3 8489 B10R0.19 CCCCC(=O)N(C)CCC 11a_100000747261_100000210183 [0,2,0,0,0,0|1,0,0]=3 8490 B10R0.19 CCCCC(=O)N(C)CCC 1626a_100000747261_100000210183 [0,2,0,0,0,0|1,0,0]=3 8491 B10R0.19 CCCCC(=O)N(C)CCC 240690a_100000747261_100000210183 [0,2,0,0,0,0|1,0,0]=3 8492 B10R0.19 CCCCC(=O)N(C)CCC 527a_100000747261_100000210183 [0,2,0,0,0,0|1,0,0]=3 8493 B10R0.19 CCCCC(=O)N(C)CCO 240690a_100000210263_100000210183 [0,2,0,0,0,0|1,0,0]=3 8494 B10R0.19 CCCCC(=O)N(C)CCO 527a_100000210263_100000210183 [0,2,0,0,0,0|1,0,0]=3 8495 B10R0.19 CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210211 [0,2,0,0,0,0|1,0,0]=3 8496 B10R0.19 CCCCN(C)C(C)CC#N 2230a_100000207549_100009813641 [0,2,0,0,0,0|2,0,0]=4 8497 B10R0.19 CCCCN(C)C(C)CC#N 269982a_100000207549_100009813641 [0,2,0,0,0,0|2,0,0]=4 8498 B10R0.19 CCCCN(C)C(C)CCC 2230a_100000207549_100000766640 [0,2,0,0,0,0|2,0,0]=4 8499 B10R0.19 CCCCN(C)C(C)CCC 269982a_100000207549_100000766640 [0,2,0,0,0,0|2,0,0]=4 8500 B10R0.19 CCCCN(C)C(C)CCC 270004a_100000207549_100000211909 [0,2,0,0,0,0|2,0,0]=4 8501 B10R0.19 CCCCN(C)C(C)CCO 2230a_100000207549_100009893172 [0,2,0,0,0,0|2,0,0]=4 8502 B10R0.19 CCCCN(C)C(C)CCO 2230a_100000731037_100000210211 [0,2,0,0,0,0|2,0,0]=4 8503 B10R0.19 CCCCN(C)C(C)CCO 269982a_100000207549_100009893172 [0,2,0,0,0,0|2,0,0]=4 8504 B10R0.19 CCCCN(C)C(C)CCO 269982a_100000731037_100000210211 [0,2,0,0,0,0|2,0,0]=4 8505 B10R0.19 CCCCN(C)C(C)COC 2230a_100000207549_100000765312 [0,2,0,0,0,0|2,0,0]=4 8506 B10R0.19 CCCCN(C)C(C)COC 269982a_100000207549_100000765312 [0,2,0,0,0,0|2,0,0]=4 8507 B10R0.19 CCCCN(C)C(C)COC 270004a_100000207549_100000749346 [0,2,0,0,0,0|2,0,0]=4 8508 B10R0.19 CCCCN(C)C(C)CSC 270004a_100000207549_100011216314 [0,2,0,0,0,0|2,0,0]=4 8509 B10R0.19 CCCN(C)C(=O)CCOC 11a_100000747261_100000749529 [0,2,0,0,0,0|2,0,0]=4 8510 B10R0.19 CCCN(C)C(=O)CCOC 1626a_100000747261_100000749529 [0,2,0,0,0,0|2,0,0]=4 8511 B10R0.19 CCCN(C)C(=O)CCOC 240690a_100000747261_100000749529 [0,2,0,0,0,0|2,0,0]=4 8512 B10R0.19 CCCN(C)C(=O)CCOC 527a_100000747261_100000749529 [0,2,0,0,0,0|2,0,0]=4 8513 B10R0.19 CCCN(C)C(=O)CCSC 11a_100000747261_100000174002 [0,2,0,0,0,0|2,0,0]=4 8514 B10R0.19 CCCN(C)C(=O)CCSC 1626a_100000747261_100000174002 [0,2,0,0,0,0|2,0,0]=4 8515 B10R0.19 CCCN(C)C(=O)CCSC 240690a_100000747261_100000174002 [0,2,0,0,0,0|2,0,0]=4 8516 B10R0.19 CCCN(C)C(=O)CCSC 527a_100000747261_100000174002 [0,2,0,0,0,0|2,0,0]=4 8517 B10R0.19 CCCN(C)C(=O)COCC 11a_100000747261_100000211967 [0,2,0,0,0,0|2,0,0]=4 8518 B10R0.19 CCCN(C)C(=O)COCC 1626a_100000747261_100000211967 [0,2,0,0,0,0|2,0,0]=4 8519 B10R0.19 CCCN(C)C(=O)COCC 240690a_100000747261_100000211967 [0,2,0,0,0,0|2,0,0]=4 8520 B10R0.19 CCCN(C)C(=O)COCC 527a_100000747261_100000211967 [0,2,0,0,0,0|2,0,0]=4 8521 B10R0.19 CCCN(C)C(=O)CSCC 11a_100000747261_100000230394 [0,2,0,0,0,0|2,0,0]=4 8522 B10R0.19 CCCN(C)C(=O)CSCC 1626a_100000747261_100000230394 [0,2,0,0,0,0|2,0,0]=4 8523 B10R0.19 CCCN(C)C(=O)CSCC 240690a_100000747261_100000230394 [0,2,0,0,0,0|2,0,0]=4 8524 B10R0.19 CCCN(C)C(=O)CSCC 527a_100000747261_100000230394 [0,2,0,0,0,0|2,0,0]=4 8525 B10R0.19 CCCNC(=O)/C(=N/OC)/C 11a_100020643023_100160996864 [0,2,0,0,0,0|1,0,1]=4 8526 B10R0.19 CCCNC(=O)/C(=N/OC)/C 240690a_100020643023_100160996864 [0,2,0,0,0,0|1,0,1]=4 8527 B10R0.19 CCCNC(=O)C(C)CCC 11a_100020643023_100000210906 [0,2,0,0,0,0|1,0,0]=3 8528 B10R0.19 CCCNC(=O)C(C)CCC 1626a_100020643023_100000210906 [0,2,0,0,0,0|1,0,0]=3 8529 B10R0.19 CCCNC(=O)C(C)CCC 240690a_100020643023_100000210906 [0,2,0,0,0,0|1,0,0]=3 8530 B10R0.19 CCCNC(=O)C(C)CCC 527a_100020643023_100000210906 [0,2,0,0,0,0|1,0,0]=3 8531 B10R0.19 CCCNC(=O)C(C)COC 11a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 8532 B10R0.19 CCCNC(=O)C(C)COC 1626a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 8533 B10R0.19 CCCNC(=O)C(C)COC 240690a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 8534 B10R0.19 CCCNC(=O)C(C)COC 527a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 8535 B10R0.19 CCCNC(=O)C(C)CSC 11a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 8536 B10R0.19 CCCNC(=O)C(C)CSC 1626a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 8537 B10R0.19 CCCNC(=O)C(C)CSC 240690a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 8538 B10R0.19 CCCNC(=O)C(C)CSC 527a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 8539 B10R0.19 CCCNC(=O)C(C)NCC 2230a_100015525214_100000230305 [0,2,0,0,0,0|1,0,0]=3 8540 B10R0.19 CCCNC(=O)C(C)NCC 2230a_100025744714_100000210202 [0,2,0,0,0,0|1,0,0]=3 8541 B10R0.19 CCCNC(=O)C(C)NCC 34a_100025744714_100000210202 [0,2,0,0,0,0|1,0,0]=3 8542 B10R0.19 CCCNC(=O)C(C)NCF 34a_100025744714_100015361967 [0,2,0,0,0,0|1,0,0]=3 8543 B10R0.19 CCCNC(=O)C(C)OCC 11a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 8544 B10R0.19 CCCNC(=O)C(C)OCC 1626a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 8545 B10R0.19 CCCNC(=O)C(C)OCC 240690a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 8546 B10R0.19 CCCNC(=O)C(C)OCC 34a_100121572206_100000230305 [0,2,0,0,0,0|1,0,0]=3 8547 B10R0.19 CCCNC(=O)C(C)OCC 527a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 8548 B10R0.19 CCCNC(=O)C(C)SCC 11a_100020643023_100000230601 [0,2,0,0,0,0|1,0,0]=3 8549 B10R0.19 CCCNC(=O)C(C)SCC 1626a_100020643023_100000230601 [0,2,0,0,0,0|1,0,0]=3 8550 B10R0.19 CCCNC(=O)C(C)SCC 240690a_100020643023_100000230601 [0,2,0,0,0,0|1,0,0]=3 8551 B10R0.19 CCCNC(=O)C(C)SCC 527a_100020643023_100000230601 [0,2,0,0,0,0|1,0,0]=3 8552 B10R0.19 CCCNC(=O)C(C)SCC 62a_100000210202_100000230305 [0,2,0,0,0,0|1,0,0]=3 8553 B10R0.19 CCCNC(=O)C(C)SCC 62a_100000230305_100000210202 [0,2,0,0,0,0|1,0,0]=3 8554 B10R0.19 CCCNC(=O)C(C)SCF 62a_100000230305_100015361967 [0,2,0,0,0,0|1,0,0]=3 8555 B10R0.19 CCCNC(=O)C(C)SCF 62a_100015361967_100000230305 [0,2,0,0,0,0|1,0,0]=3 8556 B10R0.19 CCCNC(=O)N(C)CC#N 273464a_100020643023_100000748184 [0,2,0,0,0,0|2,0,0]=4 8557 B10R0.19 CCCNC(=O)N(C)CCC 2708a_100020643023_100000747261 [0,2,0,0,0,0|2,0,0]=4 8558 B10R0.19 CCCNC(=O)N(C)CCC 273464a_100020643023_100000747261 [0,2,0,0,0,0|2,0,0]=4 8559 B10R0.19 CCCNC(=O)N(C)CCO 2708a_100020643023_100000210263 [0,2,0,0,0,0|2,0,0]=4 8560 B10R0.19 CCCNC(=O)N(C)CCO 273464a_100020643023_100000210263 [0,2,0,0,0,0|2,0,0]=4 8561 B10R0.19 CCCNC(=O)[C@@H](O)CCC 240690a_100020643023_100009822183 [0,2,0,0,0,0|2,0,0]=4 8562 B10R0.19 CCCOC(=O)C(C)NCC 2230a_100015525214_100000760410 [0,2,0,0,0,0|1,0,0]=3 8563 B10R0.19 CCCOC(=O)C(C)OCC 34a_100000037348_100000210202 [0,2,0,0,0,0|1,0,0]=3 8564 B10R0.19 CCCOC(=O)C(C)OCC 34a_100121572206_100000760410 [0,2,0,0,0,0|1,0,0]=3 8565 B10R0.19 CCCOC(=O)C(C)OCC 7a_100000037348_100000210202 [0,2,0,0,0,0|1,0,0]=3 8566 B10R0.19 CCCOC(=O)C(C)OCF 34a_100000037348_100015361967 [0,2,0,0,0,0|1,0,0]=3 8567 B10R0.19 CCCOC(=O)C(C)OCF 7a_100000037348_100015361967 [0,2,0,0,0,0|1,0,0]=3 8568 B10R0.19 CCCOC(=O)C(C)SCC 62a_100000210202_100000760410 [0,2,0,0,0,0|1,0,0]=3 8569 B10R0.19 CCCOC(=O)C(C)SCC 62a_100000760410_100000210202 [0,2,0,0,0,0|1,0,0]=3 8570 B10R0.19 CCCOC(=O)C(C)SCF 62a_100000760410_100015361967 [0,2,0,0,0,0|1,0,0]=3 8571 B10R0.19 CCCOC(=O)C(C)SCF 62a_100015361967_100000760410 [0,2,0,0,0,0|1,0,0]=3 8572 B10R0.19 CCC[C@H](O)C(=O)CCCF 1458a_100009822183_100011934791 [0,2,0,0,0,0|2,0,0]=4 8573 B10R0.19 CCC[C@H](O)C(=O)CCCO 1458a_100009822183_100011215043 [0,2,0,0,0,0|2,0,0]=4 8574 B10R0.19 CCC[C@H](O)C(=O)CCOC 1458a_100009822183_100000233755 [0,2,0,0,0,0|2,0,0]=4 8575 B10R0.19 CCC[C@H](O)C(=O)CCSC 1458a_100009822183_100000751147 [0,2,0,0,0,0|2,0,0]=4 8576 B10R0.19 CCNNC(=O)C(C)COC 22a_100000756455_100000751857 [0,2,0,0,0,0|2,0,0]=4 8577 B10R0.19 CCNNC(=O)C(C)CSC 22a_100000756455_100000753918 [0,2,0,0,0,0|2,0,0]=4 8578 B10R0.19 CCNNC(=O)C(C)OCC 22a_100000756455_100000739345 [0,2,0,0,0,0|2,0,0]=4 8579 B10R0.19 CCNNC(=O)C(C)SCC 22a_100000756455_100000230601 [0,2,0,0,0,0|2,0,0]=4 8580 B10R0.19 CCOC(C)C(=O)CCC#N 1458a_100000739345_100011215226 [0,2,0,0,0,0|1,0,1]=4 8581 B10R0.19 CCOC(C)C(=O)CCCF 1458a_100000739345_100011934791 [0,2,0,0,0,0|1,0,0]=3 8582 B10R0.19 CCOC(C)C(=O)CCCO 1458a_100000739345_100011215043 [0,2,0,0,0,0|1,0,0]=3 8583 B10R0.19 CCOC(C)C(=O)CCOC 1458a_100000739345_100000233755 [0,2,0,0,0,0|1,0,0]=3 8584 B10R0.19 CCOC(C)C(=O)CCSC 1458a_100000739345_100000751147 [0,2,0,0,0,0|1,0,0]=3 8585 B10R0.19 CCOC(C)C(=O)NCCF 11a_100000724931_100000739345 [0,2,0,0,0,0|2,0,0]=4 8586 B10R0.19 CCOC(C)C(=O)NCCF 1626a_100000724931_100000739345 [0,2,0,0,0,0|2,0,0]=4 8587 B10R0.19 CCOC(C)C(=O)NCCF 240690a_100000724931_100000739345 [0,2,0,0,0,0|2,0,0]=4 8588 B10R0.19 CCOC(C)C(=O)NCCF 527a_100000724931_100000739345 [0,2,0,0,0,0|2,0,0]=4 8589 B10R0.19 CCOC(C)C(=O)NCCO 240690a_100000210304_100000739345 [0,2,0,0,0,0|2,0,0]=4 8590 B10R0.19 CCOC(C)C(=O)NCCO 527a_100000210304_100000739345 [0,2,0,0,0,0|2,0,0]=4 8591 B10R0.19 CCOCC(=O)C(C)CC#N 1458a_100000211967_100009813641 [0,2,0,0,0,0|1,0,0]=3 8592 B10R0.19 CCOCC(=O)C(C)CCO 1458a_100000211967_100009893172 [0,2,0,0,0,0|1,0,0]=3 8593 B10R0.19 CCOCC(=O)C(C)COC 1458a_100000211967_100000765312 [0,2,0,0,0,0|1,0,0]=3 8594 B10R0.19 CCOCC(=O)N(C)CC#N 11a_100000748184_100000211967 [0,2,0,0,0,0|2,0,0]=4 8595 B10R0.19 CCOCC(=O)N(C)CC#N 1626a_100000748184_100000211967 [0,2,0,0,0,0|2,0,0]=4 8596 B10R0.19 CCOCC(=O)N(C)CCO 240690a_100000210263_100000211967 [0,2,0,0,0,0|2,0,0]=4 8597 B10R0.19 CCOCC(=O)N(C)CCO 527a_100000210263_100000211967 [0,2,0,0,0,0|2,0,0]=4 8598 B10R0.19 CCSC(C)C(=O)CCC#N 1458a_100000230601_100011215226 [0,2,0,0,0,0|1,0,1]=4 8599 B10R0.19 CCSC(C)C(=O)CCCF 1458a_100000230601_100011934791 [0,2,0,0,0,0|1,0,0]=3 8600 B10R0.19 CCSC(C)C(=O)CCCO 1458a_100000230601_100011215043 [0,2,0,0,0,0|1,0,0]=3 8601 B10R0.19 CCSC(C)C(=O)CCOC 1458a_100000230601_100000233755 [0,2,0,0,0,0|1,0,0]=3 8602 B10R0.19 CCSC(C)C(=O)CCSC 1458a_100000230601_100000751147 [0,2,0,0,0,0|1,0,0]=3 8603 B10R0.19 CCSC(C)C(=O)NCCF 11a_100000724931_100000230601 [0,2,0,0,0,0|2,0,0]=4 8604 B10R0.19 CCSC(C)C(=O)NCCF 1626a_100000724931_100000230601 [0,2,0,0,0,0|2,0,0]=4 8605 B10R0.19 CCSC(C)C(=O)NCCF 240690a_100000724931_100000230601 [0,2,0,0,0,0|2,0,0]=4 8606 B10R0.19 CCSC(C)C(=O)NCCF 527a_100000724931_100000230601 [0,2,0,0,0,0|2,0,0]=4 8607 B10R0.19 CCSC(C)C(=O)NCCO 240690a_100000210304_100000230601 [0,2,0,0,0,0|2,0,0]=4 8608 B10R0.19 CCSC(C)C(=O)NCCO 527a_100000210304_100000230601 [0,2,0,0,0,0|2,0,0]=4 8609 B10R0.19 CCSCC(=O)C(C)CC#N 1458a_100000230394_100009813641 [0,2,0,0,0,0|1,0,0]=3 8610 B10R0.19 CCSCC(=O)C(C)CCO 1458a_100000230394_100009893172 [0,2,0,0,0,0|1,0,0]=3 8611 B10R0.19 CCSCC(=O)C(C)COC 1458a_100000230394_100000765312 [0,2,0,0,0,0|1,0,0]=3 8612 B10R0.19 CCSCC(=O)N(C)CC#N 11a_100000748184_100000230394 [0,2,0,0,0,0|2,0,0]=4 8613 B10R0.19 CCSCC(=O)N(C)CC#N 1626a_100000748184_100000230394 [0,2,0,0,0,0|2,0,0]=4 8614 B10R0.19 CCSCC(=O)N(C)CCO 240690a_100000210263_100000230394 [0,2,0,0,0,0|2,0,0]=4 8615 B10R0.19 CCSCC(=O)N(C)CCO 527a_100000210263_100000230394 [0,2,0,0,0,0|2,0,0]=4 8616 B10R0.19 CO/N=C(\C)/C(=O)CCCF 1458a_100160996864_100011934791 [0,2,0,0,0,0|1,0,1]=4 8617 B10R0.19 CO/N=C(\C)/C(=O)CCCO 1458a_100160996864_100011215043 [0,2,0,0,0,0|1,0,1]=4 8618 B10R0.19 CO/N=C(\C)/C(=O)CCSC 1458a_100160996864_100000751147 [0,2,0,0,0,0|1,0,1]=4 8619 B10R0.19 COCC(C)C(=O)CCC#N 1458a_100000751857_100011215226 [0,2,0,0,0,0|1,0,1]=4 8620 B10R0.19 COCC(C)C(=O)CCC#N 1458a_100011934036_100000765312 [0,2,0,0,0,0|1,0,1]=4 8621 B10R0.19 COCC(C)C(=O)CCCF 1458a_100000751857_100011934791 [0,2,0,0,0,0|1,0,0]=3 8622 B10R0.19 COCC(C)C(=O)CCCO 1458a_100000751857_100011215043 [0,2,0,0,0,0|1,0,0]=3 8623 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000174002_100000765312 [0,2,0,0,0,0|1,0,0]=3 8624 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000751857_100000751147 [0,2,0,0,0,0|1,0,0]=3 8625 B10R0.19 COCC(C)C(=O)NCCF 11a_100000724931_100000751857 [0,2,0,0,0,0|2,0,0]=4 8626 B10R0.19 COCC(C)C(=O)NCCF 1626a_100000724931_100000751857 [0,2,0,0,0,0|2,0,0]=4 8627 B10R0.19 COCC(C)C(=O)NCCF 240690a_100000724931_100000751857 [0,2,0,0,0,0|2,0,0]=4 8628 B10R0.19 COCC(C)C(=O)NCCF 527a_100000724931_100000751857 [0,2,0,0,0,0|2,0,0]=4 8629 B10R0.19 COCC(C)C(=O)NCCO 240690a_100000210304_100000751857 [0,2,0,0,0,0|2,0,0]=4 8630 B10R0.19 COCC(C)C(=O)NCCO 527a_100000210304_100000751857 [0,2,0,0,0,0|2,0,0]=4 8631 B10R0.19 COCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000233755 [0,2,0,0,0,0|1,0,1]=4 8632 B10R0.19 COCCC(=O)C(C)CC#N 1458a_100000749529_100009813641 [0,2,0,0,0,0|1,0,0]=3 8633 B10R0.19 COCCC(=O)C(C)CCO 1458a_100000749529_100009893172 [0,2,0,0,0,0|1,0,0]=3 8634 B10R0.19 COCCC(=O)C(C)COC 1458a_100000749529_100000765312 [0,2,0,0,0,0|1,0,0]=3 8635 B10R0.19 COCCC(=O)C(C)COC 1458a_100000751857_100000233755 [0,2,0,0,0,0|1,0,0]=3 8636 B10R0.19 COCCC(=O)C(C)CSC 1458a_100000753918_100000233755 [0,2,0,0,0,0|1,0,0]=3 8637 B10R0.19 COCCC(=O)N(C)CC#N 11a_100000748184_100000749529 [0,2,0,0,0,0|2,0,0]=4 8638 B10R0.19 COCCC(=O)N(C)CC#N 1626a_100000748184_100000749529 [0,2,0,0,0,0|2,0,0]=4 8639 B10R0.19 COCCC(=O)N(C)CCO 240690a_100000210263_100000749529 [0,2,0,0,0,0|2,0,0]=4 8640 B10R0.19 COCCC(=O)N(C)CCO 527a_100000210263_100000749529 [0,2,0,0,0,0|2,0,0]=4 8641 B10R0.19 CSCC(C)C(=O)CCC#N 1458a_100000753918_100011215226 [0,2,0,0,0,0|1,0,1]=4 8642 B10R0.19 CSCC(C)C(=O)CCCF 1458a_100000753918_100011934791 [0,2,0,0,0,0|1,0,0]=3 8643 B10R0.19 CSCC(C)C(=O)CCCO 1458a_100000753918_100011215043 [0,2,0,0,0,0|1,0,0]=3 8644 B10R0.19 CSCC(C)C(=O)NCCF 11a_100000724931_100000753918 [0,2,0,0,0,0|2,0,0]=4 8645 B10R0.19 CSCC(C)C(=O)NCCF 1626a_100000724931_100000753918 [0,2,0,0,0,0|2,0,0]=4 8646 B10R0.19 CSCC(C)C(=O)NCCF 240690a_100000724931_100000753918 [0,2,0,0,0,0|2,0,0]=4 8647 B10R0.19 CSCC(C)C(=O)NCCF 527a_100000724931_100000753918 [0,2,0,0,0,0|2,0,0]=4 8648 B10R0.19 CSCC(C)C(=O)NCCO 240690a_100000210304_100000753918 [0,2,0,0,0,0|2,0,0]=4 8649 B10R0.19 CSCC(C)C(=O)NCCO 527a_100000210304_100000753918 [0,2,0,0,0,0|2,0,0]=4 8650 B10R0.19 CSCCC(=O)C(C)CC#N 1458a_100000174002_100009813641 [0,2,0,0,0,0|1,0,0]=3 8651 B10R0.19 CSCCC(=O)C(C)CCO 1458a_100000174002_100009893172 [0,2,0,0,0,0|1,0,0]=3 8652 B10R0.19 CSCCC(=O)C(C)CSC 1458a_100000753918_100000751147 [0,2,0,0,0,0|1,0,0]=3 8653 B10R0.19 CSCCC(=O)N(C)CC#N 11a_100000748184_100000174002 [0,2,0,0,0,0|2,0,0]=4 8654 B10R0.19 CSCCC(=O)N(C)CC#N 1626a_100000748184_100000174002 [0,2,0,0,0,0|2,0,0]=4 8655 B10R0.19 CSCCC(=O)N(C)CCO 240690a_100000210263_100000174002 [0,2,0,0,0,0|2,0,0]=4 8656 B10R0.19 CSCCC(=O)N(C)CCO 527a_100000210263_100000174002 [0,2,0,0,0,0|2,0,0]=4 8657 B10R0.21 C#CCCC(=O)C(CC)CC 1458a_100000211163_100000753159 [0,2,0,0,0,0|0,0,2]=4 8658 B10R0.21 C#CCCC(=O)C(CC)CC 1458a_100000692101_100000210505 [0,2,0,0,0,0|0,0,2]=4 8659 B10R0.21 C#CCCC(=O)C(CC)OC 1458a_100000747056_100000753159 [0,2,0,0,0,0|0,0,2]=4 8660 B10R0.21 C#CCCC(=O)C(OC)OC 1458a_100000046285_100000753159 [0,2,0,0,0,0|0,0,2]=4 8661 B10R0.21 C/C=C/CC(=O)C(CC)CC 1458a_100000211163_100102629194 [0,2,0,0,0,0|0,0,2]=4 8662 B10R0.21 C/C=C/CC(=O)C(CC)OC 1458a_100000747056_100102629194 [0,2,0,0,0,0|0,0,2]=4 8663 B10R0.21 C/C=C/CC(=O)C(OC)OC 1458a_100000046285_100102629194 [0,2,0,0,0,0|0,0,2]=4 8664 B10R0.21 C=CCCC(=O)C(CC)CC 1458a_100000211163_100000754431 [0,2,0,0,0,0|0,0,2]=4 8665 B10R0.21 C=CCCC(=O)C(CC)CC 1458a_100000749702_100000210505 [0,2,0,0,0,0|0,0,2]=4 8666 B10R0.21 C=CCCC(=O)C(CC)OC 1458a_100000747056_100000754431 [0,2,0,0,0,0|0,0,2]=4 8667 B10R0.21 C=CCCC(=O)C(OC)OC 1458a_100000046285_100000754431 [0,2,0,0,0,0|0,0,2]=4 8668 B10R0.21 CC#CCC(=O)C(CC)CC 1458a_100000211163_100000748600 [0,2,0,0,0,0|0,0,2]=4 8669 B10R0.21 CC#CCC(=O)C(CC)OC 1458a_100000747056_100000748600 [0,2,0,0,0,0|0,0,2]=4 8670 B10R0.21 CC#CCC(=O)C(OC)OC 1458a_100000046285_100000748600 [0,2,0,0,0,0|0,0,2]=4 8671 B10R0.21 CC=CCC(=O)C(CC)CC 1458a_100000211163_100000070051 [0,2,0,0,0,0|0,0,2]=4 8672 B10R0.21 CC=CCC(=O)C(CC)CC 1458a_100121576822_100000210505 [0,2,0,0,0,0|0,0,2]=4 8673 B10R0.21 CC=CCC(=O)C(CC)OC 1458a_100000747056_100000070051 [0,2,0,0,0,0|0,0,2]=4 8674 B10R0.21 CC=CCC(=O)C(OC)OC 1458a_100000046285_100000070051 [0,2,0,0,0,0|0,0,2]=4 8675 B10R0.21 CCC#CC(=O)C(CC)CC 1458a_100011827653_100000210505 [0,2,0,0,0,0|0,0,2]=4 8676 B10R0.21 CCC(CC)C(=O)CCC#N 1458a_100000211163_100011215226 [0,2,0,0,0,0|1,0,1]=4 8677 B10R0.21 CCC(CC)C(=O)CCC#N 1458a_100011934036_100000210505 [0,2,0,0,0,0|1,0,1]=4 8678 B10R0.21 CCC(CC)C(=O)CCCF 1458a_100000211163_100011934791 [0,2,0,0,0,0|1,0,0]=3 8679 B10R0.21 CCC(CC)C(=O)CCCO 1458a_100000211163_100011215043 [0,2,0,0,0,0|1,0,0]=3 8680 B10R0.21 CCC(CC)C(=O)CCOC 1458a_100000211163_100000233755 [0,2,0,0,0,0|1,0,0]=3 8681 B10R0.21 CCC(CC)C(=O)CCOC 1458a_100000749529_100000210505 [0,2,0,0,0,0|1,0,0]=3 8682 B10R0.21 CCC(CC)C(=O)CCSC 1458a_100000174002_100000210505 [0,2,0,0,0,0|1,0,0]=3 8683 B10R0.21 CCC(CC)C(=O)CCSC 1458a_100000211163_100000751147 [0,2,0,0,0,0|1,0,0]=3 8684 B10R0.21 CCC(CC)C(=O)NCCF 11a_100000724931_100000211163 [0,2,0,0,0,0|2,0,0]=4 8685 B10R0.21 CCC(CC)C(=O)NCCF 1626a_100000724931_100000211163 [0,2,0,0,0,0|2,0,0]=4 8686 B10R0.21 CCC(CC)C(=O)NCCF 240690a_100000724931_100000211163 [0,2,0,0,0,0|2,0,0]=4 8687 B10R0.21 CCC(CC)C(=O)NCCF 527a_100000724931_100000211163 [0,2,0,0,0,0|2,0,0]=4 8688 B10R0.21 CCC(CC)C(=O)NCCO 240690a_100000210304_100000211163 [0,2,0,0,0,0|2,0,0]=4 8689 B10R0.21 CCC(CC)C(=O)NCCO 527a_100000210304_100000211163 [0,2,0,0,0,0|2,0,0]=4 8690 B10R0.21 CCC(CC)C(=O)OCNC 2230a_106832991635_100000140015 [0,2,0,0,0,0|2,0,0]=4 8691 B10R0.21 CCC(CC)C(=O)OCNC 34a_100102657272_100000140015 [0,2,0,0,0,0|2,0,0]=4 8692 B10R0.21 CCC(CC)C(=O)OCNC 7a_106832991635_100000140015 [0,2,0,0,0,0|2,0,0]=4 8693 B10R0.21 CCC(CC)C(=O)OCOC 34a_100138415774_100000140015 [0,2,0,0,0,0|2,0,0]=4 8694 B10R0.21 CCC(CC)C(=O)OCSC 62a_100000140015_200000210301 [0,2,0,0,0,0|2,0,0]=4 8695 B10R0.21 CCC(CC)C(=O)OCSC 62a_200000210301_100000140015 [0,2,0,0,0,0|2,0,0]=4 8696 B10R0.21 CCC(CC)C(=O)OCS[13CH3] 62a_100000140015_200025704644 [0,2,0,0,0,0|2,0,0]=4 8697 B10R0.21 CCC(CC)C(=O)OCS[13CH3] 62a_200025704644_100000140015 [0,2,0,0,0,0|2,0,0]=4 8698 B10R0.21 CCC(OC)C(=O)CCC#N 1458a_100000747056_100011215226 [0,2,0,0,0,0|1,0,1]=4 8699 B10R0.21 CCC(OC)C(=O)CCCF 1458a_100000747056_100011934791 [0,2,0,0,0,0|1,0,0]=3 8700 B10R0.21 CCC(OC)C(=O)CCCO 1458a_100000747056_100011215043 [0,2,0,0,0,0|1,0,0]=3 8701 B10R0.21 CCC(OC)C(=O)CCOC 1458a_100000747056_100000233755 [0,2,0,0,0,0|1,0,0]=3 8702 B10R0.21 CCC(OC)C(=O)CCSC 1458a_100000747056_100000751147 [0,2,0,0,0,0|1,0,0]=3 8703 B10R0.21 CCC(OC)C(=O)NCCF 11a_100000724931_100000747056 [0,2,0,0,0,0|2,0,0]=4 8704 B10R0.21 CCC(OC)C(=O)NCCF 1626a_100000724931_100000747056 [0,2,0,0,0,0|2,0,0]=4 8705 B10R0.21 CCC(OC)C(=O)NCCF 240690a_100000724931_100000747056 [0,2,0,0,0,0|2,0,0]=4 8706 B10R0.21 CCC(OC)C(=O)NCCF 527a_100000724931_100000747056 [0,2,0,0,0,0|2,0,0]=4 8707 B10R0.21 CCC(OC)C(=O)NCCO 240690a_100000210304_100000747056 [0,2,0,0,0,0|2,0,0]=4 8708 B10R0.21 CCC(OC)C(=O)NCCO 527a_100000210304_100000747056 [0,2,0,0,0,0|2,0,0]=4 8709 B10R0.21 CCC=CC(=O)C(CC)CC 1458a_100000212282_100000210505 [0,2,0,0,0,0|0,0,2]=4 8710 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000210183_100000210505 [0,2,0,0,0,0|0,0,0]=2 8711 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000211163_100000210211 [0,2,0,0,0,0|0,0,0]=2 8712 B10R0.21 CCCCC(=O)C(CC)OC 1458a_100000747056_100000210211 [0,2,0,0,0,0|0,0,0]=2 8713 B10R0.21 CCCCC(=O)C(OC)OC 1458a_100000046285_100000210211 [0,2,0,0,0,0|0,0,0]=2 8714 B10R0.21 CCCCC(=O)N(CC)CC 11a_100000724800_100000210183 [0,2,0,0,0,0|1,0,0]=3 8715 B10R0.21 CCCCC(=O)N(CC)CC 1626a_100000724800_100000210183 [0,2,0,0,0,0|1,0,0]=3 8716 B10R0.21 CCCCC(=O)N(CC)CC 240690a_100000724800_100000210183 [0,2,0,0,0,0|1,0,0]=3 8717 B10R0.21 CCCCC(=O)N(CC)CC 527a_100000724800_100000210183 [0,2,0,0,0,0|1,0,0]=3 8718 B10R0.21 CCCCN(C)C(CC)CC 2230a_100000737045_100000210211 [0,2,0,0,0,0|2,0,0]=4 8719 B10R0.21 CCCCN(C)C(CC)CC 269982a_100000207549_100000210505 [0,2,0,0,0,0|2,0,0]=4 8720 B10R0.21 CCCCN(C)C(CC)CC 269982a_100000737045_100000210211 [0,2,0,0,0,0|2,0,0]=4 8721 B10R0.21 CCCCN(C)C(CC)CC 270004a_100000207549_100000210860 [0,2,0,0,0,0|2,0,0]=4 8722 B10R0.21 CCCNC(=O)C(CC)CC 11a_100020643023_100000211163 [0,2,0,0,0,0|1,0,0]=3 8723 B10R0.21 CCCNC(=O)C(CC)CC 1626a_100020643023_100000211163 [0,2,0,0,0,0|1,0,0]=3 8724 B10R0.21 CCCNC(=O)C(CC)CC 240690a_100020643023_100000211163 [0,2,0,0,0,0|1,0,0]=3 8725 B10R0.21 CCCNC(=O)C(CC)CC 527a_100020643023_100000211163 [0,2,0,0,0,0|1,0,0]=3 8726 B10R0.21 CCCNC(=O)C(CC)NC 2230a_106832991635_200011763335 [0,2,0,0,0,0|1,0,0]=3 8727 B10R0.21 CCCNC(=O)C(CC)NC 7a_106832991635_200011763335 [0,2,0,0,0,0|1,0,0]=3 8728 B10R0.21 CCCNC(=O)C(CC)OC 11a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 8729 B10R0.21 CCCNC(=O)C(CC)OC 1626a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 8730 B10R0.21 CCCNC(=O)C(CC)OC 240690a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 8731 B10R0.21 CCCNC(=O)C(CC)OC 527a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 8732 B10R0.21 CCCNC(=O)C(CC)SC 62a_200000210301_200011763335 [0,2,0,0,0,0|1,0,0]=3 8733 B10R0.21 CCCNC(=O)C(CC)SC 62a_200011763335_200000210301 [0,2,0,0,0,0|1,0,0]=3 8734 B10R0.21 CCCNC(=O)C(CC)S[13CH3] 62a_200011763335_200025704644 [0,2,0,0,0,0|1,0,0]=3 8735 B10R0.21 CCCNC(=O)C(CC)S[13CH3] 62a_200025704644_200011763335 [0,2,0,0,0,0|1,0,0]=3 8736 B10R0.21 CCCNC(=O)C(OC)OC 11a_100020643023_100000046285 [0,2,0,0,0,0|1,0,0]=3 8737 B10R0.21 CCCNC(=O)C(OC)OC 240690a_100020643023_100000046285 [0,2,0,0,0,0|1,0,0]=3 8738 B10R0.21 CCCNC(=O)C(OC)OC 527a_100020643023_100000046285 [0,2,0,0,0,0|1,0,0]=3 8739 B10R0.21 CCCNC(=O)N(CC)CC 2708a_100020643023_100000724800 [0,2,0,0,0,0|2,0,0]=4 8740 B10R0.21 CCCNC(=O)N(CC)CC 273464a_100020643023_100000724800 [0,2,0,0,0,0|2,0,0]=4 8741 B10R0.21 CCN(CC)C(=O)CCNC 2230a_106832991635_100011194432 [0,2,0,0,0,0|2,0,0]=4 8742 B10R0.21 CCN(CC)C(=O)CCNC 7a_106832991635_100011194432 [0,2,0,0,0,0|2,0,0]=4 8743 B10R0.21 CCN(CC)C(=O)CCOC 11a_100000724800_100000749529 [0,2,0,0,0,0|2,0,0]=4 8744 B10R0.21 CCN(CC)C(=O)CCOC 1626a_100000724800_100000749529 [0,2,0,0,0,0|2,0,0]=4 8745 B10R0.21 CCN(CC)C(=O)CCOC 240690a_100000724800_100000749529 [0,2,0,0,0,0|2,0,0]=4 8746 B10R0.21 CCN(CC)C(=O)CCOC 527a_100000724800_100000749529 [0,2,0,0,0,0|2,0,0]=4 8747 B10R0.21 CCN(CC)C(=O)CCSC 11a_100000724800_100000174002 [0,2,0,0,0,0|2,0,0]=4 8748 B10R0.21 CCN(CC)C(=O)CCSC 1626a_100000724800_100000174002 [0,2,0,0,0,0|2,0,0]=4 8749 B10R0.21 CCN(CC)C(=O)CCSC 240690a_100000724800_100000174002 [0,2,0,0,0,0|2,0,0]=4 8750 B10R0.21 CCN(CC)C(=O)CCSC 527a_100000724800_100000174002 [0,2,0,0,0,0|2,0,0]=4 8751 B10R0.21 CCN(CC)C(=O)CCSC 62a_200000210301_100011194432 [0,2,0,0,0,0|2,0,0]=4 8752 B10R0.21 CCN(CC)C(=O)CCS[13CH3] 62a_200025704644_100011194432 [0,2,0,0,0,0|2,0,0]=4 8753 B10R0.21 CCNCC(=O)N(CC)CC 2230a_100000174916_100000210202 [0,2,0,0,0,0|2,0,0]=4 8754 B10R0.21 CCNCC(=O)N(CC)CC 2230a_100015525214_100000211521 [0,2,0,0,0,0|2,0,0]=4 8755 B10R0.21 CCNNC(=O)C(CC)CC 22a_100000756455_100000211163 [0,2,0,0,0,0|2,0,0]=4 8756 B10R0.21 CCNNC(=O)C(CC)OC 22a_100000756455_100000747056 [0,2,0,0,0,0|2,0,0]=4 8757 B10R0.21 CCNNC(=O)C(OC)OC 22a_100000756455_100000046285 [0,2,0,0,0,0|2,0,0]=4 8758 B10R0.21 CCOCC(=O)C(CC)CC 1458a_100000211967_100000210505 [0,2,0,0,0,0|1,0,0]=3 8759 B10R0.21 CCOCC(=O)N(CC)CC 11a_100000724800_100000211967 [0,2,0,0,0,0|2,0,0]=4 8760 B10R0.21 CCOCC(=O)N(CC)CC 1626a_100000724800_100000211967 [0,2,0,0,0,0|2,0,0]=4 8761 B10R0.21 CCOCC(=O)N(CC)CC 240690a_100000724800_100000211967 [0,2,0,0,0,0|2,0,0]=4 8762 B10R0.21 CCOCC(=O)N(CC)CC 34a_100121572206_100000211521 [0,2,0,0,0,0|2,0,0]=4 8763 B10R0.21 CCOCC(=O)N(CC)CC 527a_100000724800_100000211967 [0,2,0,0,0,0|2,0,0]=4 8764 B10R0.21 CCOCC(=O)N(CC)CC 7a_200000238847_100000210202 [0,2,0,0,0,0|2,0,0]=4 8765 B10R0.21 CCSCC(=O)C(CC)CC 1458a_100000230394_100000210505 [0,2,0,0,0,0|1,0,0]=3 8766 B10R0.21 CCSCC(=O)N(CC)CC 11a_100000724800_100000230394 [0,2,0,0,0,0|2,0,0]=4 8767 B10R0.21 CCSCC(=O)N(CC)CC 1626a_100000724800_100000230394 [0,2,0,0,0,0|2,0,0]=4 8768 B10R0.21 CCSCC(=O)N(CC)CC 240690a_100000724800_100000230394 [0,2,0,0,0,0|2,0,0]=4 8769 B10R0.21 CCSCC(=O)N(CC)CC 527a_100000724800_100000230394 [0,2,0,0,0,0|2,0,0]=4 8770 B10R0.21 CCSCC(=O)N(CC)CC 62a_100000210202_100000211521 [0,2,0,0,0,0|2,0,0]=4 8771 B10R0.21 CCSCC(=O)N(CC)CC 62a_100000211521_100000210202 [0,2,0,0,0,0|2,0,0]=4 8772 B10R0.21 COC(OC)C(=O)CCC#N 1458a_100000046285_100011215226 [0,2,0,0,0,0|1,0,1]=4 8773 B10R0.21 COC(OC)C(=O)CCCF 1458a_100000046285_100011934791 [0,2,0,0,0,0|1,0,0]=3 8774 B10R0.21 COC(OC)C(=O)CCCO 1458a_100000046285_100011215043 [0,2,0,0,0,0|1,0,0]=3 8775 B10R0.21 COC(OC)C(=O)CCSC 1458a_100000046285_100000751147 [0,2,0,0,0,0|1,0,0]=3 8776 B10R0.21 COC(OC)C(=O)NCCF 11a_100000724931_100000046285 [0,2,0,0,0,0|2,0,0]=4 8777 B10R0.21 COC(OC)C(=O)NCCF 240690a_100000724931_100000046285 [0,2,0,0,0,0|2,0,0]=4 8778 B10R0.21 COC(OC)C(=O)NCCF 527a_100000724931_100000046285 [0,2,0,0,0,0|2,0,0]=4 8779 B10R0.21 COC(OC)C(=O)NCCO 240690a_100000210304_100000046285 [0,2,0,0,0,0|2,0,0]=4 8780 B10R0.21 COC(OC)C(=O)NCCO 527a_100000210304_100000046285 [0,2,0,0,0,0|2,0,0]=4 8781 B10R0.21 COCCC(=O)C(OC)OC 1458a_100000046285_100000233755 [0,2,0,0,0,0|1,0,0]=3 8782 B10R0.46 C#CC(C)C(=O)CC(C)CC 1458a_100000708755_200000035995 [0,2,0,0,0,0|0,0,1]=3 8783 B10R0.46 C#CC(C)C(=O)CC(O)CC 1458a_100011667805_200000035995 [0,2,0,0,0,0|0,0,1]=3 8784 B10R0.46 C#CC(C)C(=O)CN(C)CC 1458a_100116209913_200000035995 [0,2,0,0,0,0|1,0,1]=4 8785 B10R0.46 C/C=C(\C)/C(=O)CC(=O)CC 1458a_100020587367_100000747405 [0,2,0,0,0,0|0,0,2]=4 8786 B10R0.46 C/C=C(\C)/C(=O)CC(C)CC 1458a_100020587367_100000748023 [0,2,0,0,0,0|0,0,1]=3 8787 B10R0.46 C/C=C(\C)/C(=O)CC(O)CC 1458a_100020587367_100011218378 [0,2,0,0,0,0|0,0,1]=3 8788 B10R0.46 C/C=C(\C)/C(=O)C[C@@H](C)CC 1458a_100020587367_100009816398 [0,2,0,0,0,0|0,0,1]=3 8789 B10R0.46 C/C=C(\C)/C(=O)C[C@@H](C)CO 1458a_100020587367_100000059175 [0,2,0,0,0,0|1,0,1]=4 8790 B10R0.46 C/C=C(\C)/C(=O)NC(C)CC 11a_100000209981_100020587367 [0,2,0,0,0,0|1,0,1]=4 8791 B10R0.46 C/C=C(\C)/C(=O)NC(C)CC 1626a_100000209981_100020587367 [0,2,0,0,0,0|1,0,1]=4 8792 B10R0.46 C=CC(C)C(=O)CC(=O)CC 1458a_100011216780_100000747405 [0,2,0,0,0,0|0,0,2]=4 8793 B10R0.46 C=CC(C)C(=O)CC(C)CC 1458a_100011216780_100000748023 [0,2,0,0,0,0|0,0,1]=3 8794 B10R0.46 C=CC(C)C(=O)CC(O)CC 1458a_100011216780_100011218378 [0,2,0,0,0,0|0,0,1]=3 8795 B10R0.46 C=CC(C)C(=O)C[C@@H](C)CC 1458a_100011216780_100009816398 [0,2,0,0,0,0|0,0,1]=3 8796 B10R0.46 C=CC(C)C(=O)C[C@@H](C)CO 1458a_100011216780_100000059175 [0,2,0,0,0,0|1,0,1]=4 8797 B10R0.46 C=CC(C)C(=O)NC(C)CC 11a_100000209981_100011216780 [0,2,0,0,0,0|1,0,1]=4 8798 B10R0.46 C=CC(C)C(=O)NC(C)CC 1626a_100000209981_100011216780 [0,2,0,0,0,0|1,0,1]=4 8799 B10R0.46 C=CC(C)C(=O)NC(C)CC 240690a_100000209981_100011216780 [0,2,0,0,0,0|1,0,1]=4 8800 B10R0.46 C=CC(C)C(=O)NC(C)CC 527a_100000209981_100011216780 [0,2,0,0,0,0|1,0,1]=4 8801 B10R0.46 C=CC(C)CC(=O)C(C)CC 1458a_100011934298_100000758301 [0,2,0,0,0,0|0,0,2]=4 8802 B10R0.46 CC(C#N)C(=O)C[C@@H](C)CO 1458a_100000753662_100000059175 [0,2,0,0,0,0|1,0,1]=4 8803 B10R0.46 CCC(=CC(=O)C(C)CC)C 1458a_100020758463_100000758301 [0,2,0,0,0,0|0,0,2]=4 8804 B10R0.46 CCC(=O)CC(=O)C(C)C#N 1458a_100000753662_100000747405 [0,2,0,0,0,0|0,0,2]=4 8805 B10R0.46 CCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747405 [0,2,0,0,0,0|0,0,1]=3 8806 B10R0.46 CCC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747405 [0,2,0,0,0,0|0,0,1]=3 8807 B10R0.46 CCC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747405 [0,2,0,0,0,0|0,0,1]=3 8808 B10R0.46 CCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747405 [0,2,0,0,0,0|1,0,1]=4 8809 B10R0.46 CCC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747405 [0,2,0,0,0,0|1,0,1]=4 8810 B10R0.46 CCC(=O)CC(=O)N(C)CC 1458a_100000210414_100011894763 [0,2,0,0,0,0|1,0,1]=4 8811 B10R0.46 CCC(=O)CC(=O)N(C)OC 1458a_100000210414_100000764215 [0,2,0,0,0,0|1,0,1]=4 8812 B10R0.46 CCC(C)C(=O)CC(=O)NC 1458a_100011192722_100000183359 [0,2,0,0,0,0|1,0,1]=4 8813 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100000211351_100000758301 [0,2,0,0,0,0|1,0,1]=4 8814 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100011192722_100000747449 [0,2,0,0,0,0|1,0,1]=4 8815 B10R0.46 CCC(C)C(=O)CN(C)CC 1458a_100116209913_100000758301 [0,2,0,0,0,0|1,0,0]=3 8816 B10R0.46 CCC(C)C(=O)C[C@@H](C)CC 1458a_100011192722_100009816398 [0,2,0,0,0,0|0,0,0]=2 8817 B10R0.46 CCC(C)C(=O)C[C@@H](C)CO 1458a_100011192722_100000059175 [0,2,0,0,0,0|1,0,0]=3 8818 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 11a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 8819 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 8820 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 8821 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 527a_100102880703_100011192722 [0,2,0,0,0,0|2,0,0]=4 8822 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100011192722 [0,2,0,0,0,0|2,0,0]=4 8823 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 527a_100000737577_100011192722 [0,2,0,0,0,0|2,0,0]=4 8824 B10R0.46 CCC(C)CC(=O)C(=O)NC 1458a_100011218921_100000748023 [0,2,0,0,0,0|1,0,1]=4 8825 B10R0.46 CCC(C)CC(=O)C(C)C#N 1458a_100000708755_100000703298 [0,2,0,0,0,0|0,0,1]=3 8826 B10R0.46 CCC(C)CC(=O)C(C)C#N 1458a_100000753662_100000748023 [0,2,0,0,0,0|0,0,1]=3 8827 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100000708755_100000758301 [0,2,0,0,0,0|0,0,0]=2 8828 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100011192722_100000748023 [0,2,0,0,0,0|0,0,0]=2 8829 B10R0.46 CCC(C)CC(=O)C(C)OC 1458a_100000743197_100000748023 [0,2,0,0,0,0|0,0,0]=2 8830 B10R0.46 CCC(C)CC(=O)C(C)SC 1458a_100000149566_100000748023 [0,2,0,0,0,0|0,0,0]=2 8831 B10R0.46 CCC(C)CC(=O)C(O)CC 1458a_100011196387_100000748023 [0,2,0,0,0,0|1,0,0]=3 8832 B10R0.46 CCC(C)CC(=O)C(O)CO 1458a_100011215603_100000748023 [0,2,0,0,0,0|1,0,0]=3 8833 B10R0.46 CCC(C)CC(=O)N(C)CC 11a_100000225621_100000708755 [0,2,0,0,0,0|1,0,0]=3 8834 B10R0.46 CCC(C)CC(=O)N(C)CC 1626a_100000225621_100000708755 [0,2,0,0,0,0|1,0,0]=3 8835 B10R0.46 CCC(C)CC(=O)N(C)CC 240690a_100000225621_100000708755 [0,2,0,0,0,0|1,0,0]=3 8836 B10R0.46 CCC(C)CC(=O)N(C)CC 527a_100000225621_100000708755 [0,2,0,0,0,0|1,0,0]=3 8837 B10R0.46 CCC(C)CN(C)C(C)CC 2230a_100000741768_100000748023 [0,2,0,0,0,0|2,0,0]=4 8838 B10R0.46 CCC(C)CN(C)C(C)CC 2230a_100000753921_100000758301 [0,2,0,0,0,0|2,0,0]=4 8839 B10R0.46 CCC(C)CN(C)C(C)CC 269982a_100000741768_100000748023 [0,2,0,0,0,0|2,0,0]=4 8840 B10R0.46 CCC(C)CN(C)C(C)CC 269982a_100000753921_100000758301 [0,2,0,0,0,0|2,0,0]=4 8841 B10R0.46 CCC(C)CN(C)C(C)CC 270004a_100000741768_100000243153 [0,2,0,0,0,0|2,0,0]=4 8842 B10R0.46 CCC(C)CN(C)C(C)CO 2230a_100000693034_100000748023 [0,2,0,0,0,0|2,0,0]=4 8843 B10R0.46 CCC(C)CN(C)C(C)CO 2230a_100000753921_100012180447 [0,2,0,0,0,0|2,0,0]=4 8844 B10R0.46 CCC(C)CN(C)C(C)CO 269982a_100000693034_100000748023 [0,2,0,0,0,0|2,0,0]=4 8845 B10R0.46 CCC(C)CN(C)C(C)CO 270004a_100000693034_100000243153 [0,2,0,0,0,0|2,0,0]=4 8846 B10R0.46 CCC(C)CN(C)C(C)OC 269982a_100000753921_100009879195 [0,2,0,0,0,0|2,0,0]=4 8847 B10R0.46 CCC(C)CN(C)[C@H](C)CO 269982a_100000753921_100016084084 [0,2,0,0,0,0|2,0,0]=4 8848 B10R0.46 CCC(C)N(C)C[C@@H](C)CC 2230a_100000741768_100009816398 [0,2,0,0,0,0|2,0,0]=4 8849 B10R0.46 CCC(C)N(C)C[C@@H](C)CC 269982a_100000741768_100009816398 [0,2,0,0,0,0|2,0,0]=4 8850 B10R0.46 CCC(C)NC(=O)C(C)C#N 11a_100000209981_100000753662 [0,2,0,0,0,0|1,0,1]=4 8851 B10R0.46 CCC(C)NC(=O)C(C)C#N 1626a_100000209981_100000753662 [0,2,0,0,0,0|1,0,1]=4 8852 B10R0.46 CCC(C)NC(=O)C(C)C#N 240690a_100000209981_100000753662 [0,2,0,0,0,0|1,0,1]=4 8853 B10R0.46 CCC(C)NC(=O)C(C)C#N 527a_100000209981_100000753662 [0,2,0,0,0,0|1,0,1]=4 8854 B10R0.46 CCC(C)NC(=O)C(C)CC 11a_100000209981_100011192722 [0,2,0,0,0,0|1,0,0]=3 8855 B10R0.46 CCC(C)NC(=O)C(C)CC 1626a_100000209981_100011192722 [0,2,0,0,0,0|1,0,0]=3 8856 B10R0.46 CCC(C)NC(=O)C(C)CC 240690a_100000209981_100011192722 [0,2,0,0,0,0|1,0,0]=3 8857 B10R0.46 CCC(C)NC(=O)C(C)CC 527a_100000209981_100011192722 [0,2,0,0,0,0|1,0,0]=3 8858 B10R0.46 CCC(C)NC(=O)C(C)NC 2230a_106832991635_100000735909 [0,2,0,0,0,0|1,0,0]=3 8859 B10R0.46 CCC(C)NC(=O)C(C)NC 7a_106832991635_100000735909 [0,2,0,0,0,0|1,0,0]=3 8860 B10R0.46 CCC(C)NC(=O)C(C)OC 11a_100000209981_100000743197 [0,2,0,0,0,0|1,0,0]=3 8861 B10R0.46 CCC(C)NC(=O)C(C)OC 1626a_100000209981_100000743197 [0,2,0,0,0,0|1,0,0]=3 8862 B10R0.46 CCC(C)NC(=O)C(C)OC 240690a_100000209981_100000743197 [0,2,0,0,0,0|1,0,0]=3 8863 B10R0.46 CCC(C)NC(=O)C(C)OC 527a_100000209981_100000743197 [0,2,0,0,0,0|1,0,0]=3 8864 B10R0.46 CCC(C)NC(=O)C(C)SC 11a_100000209981_100000149566 [0,2,0,0,0,0|1,0,0]=3 8865 B10R0.46 CCC(C)NC(=O)C(C)SC 1626a_100000209981_100000149566 [0,2,0,0,0,0|1,0,0]=3 8866 B10R0.46 CCC(C)NC(=O)C(C)SC 240690a_100000209981_100000149566 [0,2,0,0,0,0|1,0,0]=3 8867 B10R0.46 CCC(C)NC(=O)C(C)SC 527a_100000209981_100000149566 [0,2,0,0,0,0|1,0,0]=3 8868 B10R0.46 CCC(C)NC(=O)C(C)SC 62a_100000735909_200000210301 [0,2,0,0,0,0|1,0,0]=3 8869 B10R0.46 CCC(C)NC(=O)C(C)SC 62a_200000210301_100000735909 [0,2,0,0,0,0|1,0,0]=3 8870 B10R0.46 CCC(C)NC(=O)C(C)S[13CH3] 62a_100000735909_200025704644 [0,2,0,0,0,0|1,0,0]=3 8871 B10R0.46 CCC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000735909 [0,2,0,0,0,0|1,0,0]=3 8872 B10R0.46 CCC(C)NC(=O)C(O)CC 240690a_100000209981_100011196387 [0,2,0,0,0,0|2,0,0]=4 8873 B10R0.46 CCC(C)NC(=O)C(O)CO 240690a_100000209981_100011215603 [0,2,0,0,0,0|2,0,0]=4 8874 B10R0.46 CCC(C)NC(=O)N(C)CC 2708a_100000209981_100000225621 [0,2,0,0,0,0|2,0,0]=4 8875 B10R0.46 CCC(C)NC(=O)N(C)CC 273464a_100000209981_100000225621 [0,2,0,0,0,0|2,0,0]=4 8876 B10R0.46 CCC(O)C(=O)C[C@@H](C)CC 1458a_100011196387_100009816398 [0,2,0,0,0,0|1,0,0]=3 8877 B10R0.46 CCC(O)C(=O)C[C@@H](C)CO 1458a_100011196387_100000059175 [0,2,0,0,0,0|2,0,0]=4 8878 B10R0.46 CCC(O)CC(=O)C(=O)NC 1458a_100011218921_100011218378 [0,2,0,0,0,0|1,0,1]=4 8879 B10R0.46 CCC(O)CC(=O)C(C)C#N 1458a_100000753662_100011218378 [0,2,0,0,0,0|0,0,1]=3 8880 B10R0.46 CCC(O)CC(=O)C(C)C#N 1458a_100011667805_100000703298 [0,2,0,0,0,0|0,0,1]=3 8881 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011192722_100011218378 [0,2,0,0,0,0|0,0,0]=2 8882 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011667805_100000758301 [0,2,0,0,0,0|0,0,0]=2 8883 B10R0.46 CCC(O)CC(=O)C(C)OC 1458a_100000743197_100011218378 [0,2,0,0,0,0|0,0,0]=2 8884 B10R0.46 CCC(O)CC(=O)C(C)SC 1458a_100000149566_100011218378 [0,2,0,0,0,0|0,0,0]=2 8885 B10R0.46 CCC(O)CC(=O)C(O)CC 1458a_100011196387_100011218378 [0,2,0,0,0,0|1,0,0]=3 8886 B10R0.46 CCC(O)CC(=O)C(O)CO 1458a_100011215603_100011218378 [0,2,0,0,0,0|1,0,0]=3 8887 B10R0.46 CCC(O)CC(=O)N(C)CC 1626a_100000225621_100011667805 [0,2,0,0,0,0|1,0,0]=3 8888 B10R0.46 CCC(O)CC(=O)N(C)CC 240690a_100000225621_100011667805 [0,2,0,0,0,0|1,0,0]=3 8889 B10R0.46 CCC(O)CN(C)C(C)CC 2230a_100000741768_100011218378 [0,2,0,0,0,0|2,0,0]=4 8890 B10R0.46 CCC(O)CN(C)C(C)CC 269982a_100000741768_100011218378 [0,2,0,0,0,0|2,0,0]=4 8891 B10R0.46 CCC(O)CN(C)C(C)CO 2230a_100000693034_100011218378 [0,2,0,0,0,0|2,0,0]=4 8892 B10R0.46 CCC(O)CN(C)C(C)CO 269982a_100000693034_100011218378 [0,2,0,0,0,0|2,0,0]=4 8893 B10R0.46 CCN(C)CC(=O)C(C)C#N 1458a_100116209913_100000703298 [0,2,0,0,0,0|1,0,1]=4 8894 B10R0.46 CCN(C)CC(=O)N(C)CC 2230a_100000225621_100000738999 [0,2,0,0,0,0|2,0,0]=4 8895 B10R0.46 CCN(C)CC(=O)N(C)CC 240690a_100000225621_100116209913 [0,2,0,0,0,0|2,0,0]=4 8896 B10R0.46 CCN(C)CC(=O)N(C)CC 269982a_100000225621_100000738999 [0,2,0,0,0,0|2,0,0]=4 8897 B10R0.46 CCN(C)CC(=O)N(C)CC 527a_100000225621_100116209913 [0,2,0,0,0,0|2,0,0]=4 8898 B10R0.46 CCN(C)CC(=O)N(C)OC 2230a_100000225621_100000764215 [0,2,0,0,0,0|2,0,0]=4 8899 B10R0.46 CCN(C)CC(=O)N(C)OC 269982a_100000225621_100000764215 [0,2,0,0,0,0|2,0,0]=4 8900 B10R0.46 CC[C@H](C)CC(=O)C(=O)NC 1458a_100011218921_100009816398 [0,2,0,0,0,0|1,0,1]=4 8901 B10R0.46 CC[C@H](C)CC(=O)C(C)C#N 1458a_100000753662_100009816398 [0,2,0,0,0,0|0,0,1]=3 8902 B10R0.46 CC[C@H](C)CC(=O)C(C)OC 1458a_100000743197_100009816398 [0,2,0,0,0,0|0,0,0]=2 8903 B10R0.46 CC[C@H](C)CC(=O)C(C)SC 1458a_100000149566_100009816398 [0,2,0,0,0,0|0,0,0]=2 8904 B10R0.46 CC[C@H](C)CC(=O)C(O)CO 1458a_100011215603_100009816398 [0,2,0,0,0,0|1,0,0]=3 8905 B10R0.46 CC[C@H](C)CN(C)C(C)CO 2230a_100000693034_100009816398 [0,2,0,0,0,0|2,0,0]=4 8906 B10R0.46 CC[C@H](C)CN(C)C(C)CO 269982a_100000693034_100009816398 [0,2,0,0,0,0|2,0,0]=4 8907 B10R0.46 CNC(=O)CC(=O)C(C)OC 1458a_100000743197_100000183359 [0,2,0,0,0,0|1,0,1]=4 8908 B10R0.46 CNC(=O)CC(=O)C(C)SC 1458a_100000149566_100000183359 [0,2,0,0,0,0|1,0,1]=4 8909 B10R0.46 COC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747449 [0,2,0,0,0,0|1,0,1]=4 8910 B10R0.46 COC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747449 [0,2,0,0,0,0|1,0,1]=4 8911 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_100009997173_200000210301 [0,2,0,0,0,0|1,0,1]=4 8912 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_200000210301_100009997173 [0,2,0,0,0,0|1,0,1]=4 8913 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_100009997173_200025704644 [0,2,0,0,0,0|1,0,1]=4 8914 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100009997173 [0,2,0,0,0,0|1,0,1]=4 8915 B10R0.46 COC(C)C(=O)C[C@@H](C)CO 1458a_100000743197_100000059175 [0,2,0,0,0,0|1,0,0]=3 8916 B10R0.46 COC(C)C(=O)N[C@H](C)CF 11a_100102880703_100000743197 [0,2,0,0,0,0|2,0,0]=4 8917 B10R0.46 COC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000743197 [0,2,0,0,0,0|2,0,0]=4 8918 B10R0.46 COC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000743197 [0,2,0,0,0,0|2,0,0]=4 8919 B10R0.46 COC(C)C(=O)N[C@H](C)CF 527a_100102880703_100000743197 [0,2,0,0,0,0|2,0,0]=4 8920 B10R0.46 COC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000743197 [0,2,0,0,0,0|2,0,0]=4 8921 B10R0.46 COC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000743197 [0,2,0,0,0,0|2,0,0]=4 8922 B10R0.46 CSC(C)C(=O)C[C@@H](C)CO 1458a_100000149566_100000059175 [0,2,0,0,0,0|1,0,0]=3 8923 B10R0.46 CSC(C)C(=O)N[C@H](C)CF 11a_100102880703_100000149566 [0,2,0,0,0,0|2,0,0]=4 8924 B10R0.46 CSC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000149566 [0,2,0,0,0,0|2,0,0]=4 8925 B10R0.46 CSC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000149566 [0,2,0,0,0,0|2,0,0]=4 8926 B10R0.46 CSC(C)C(=O)N[C@H](C)CF 527a_100102880703_100000149566 [0,2,0,0,0,0|2,0,0]=4 8927 B10R0.46 CSC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000149566 [0,2,0,0,0,0|2,0,0]=4 8928 B10R0.46 CSC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000149566 [0,2,0,0,0,0|2,0,0]=4 8929 B10R0.46 C[C@@H](CO)CC(=O)C(O)CO 1458a_100011215603_100000059175 [0,2,0,0,0,0|2,0,0]=4 8930 B10R0.83 C#CC(C)C(=O)C#CCCC 1458a_200011218047_200000035995 [0,2,0,0,0,0|0,0,2]=4 8931 B10R0.83 C#CC(C)C(=O)C/C=C/CC 1458a_100016274230_200000035995 [0,2,0,0,0,0|0,0,2]=4 8932 B10R0.83 C#CC(C)C(=O)C=CCCC 1458a_100000212230_200000035995 [0,2,0,0,0,0|0,0,2]=4 8933 B10R0.83 C#CC(C)C(=O)CCCC#N 1458a_100000075515_200000035995 [0,2,0,0,0,0|0,0,2]=4 8934 B10R0.83 C#CC(C)C(=O)CCCC=C 1458a_100000766728_200000035995 [0,2,0,0,0,0|0,0,2]=4 8935 B10R0.83 C#CC(C)C(=O)CCCCC 1458a_100000212188_200000035995 [0,2,0,0,0,0|0,0,1]=3 8936 B10R0.83 C#CC(C)C(=O)CCCCO 1458a_100000695505_200000035995 [0,2,0,0,0,0|0,0,1]=3 8937 B10R0.83 C#CC(C)C(=O)CCCOC 1458a_100000741012_200000035995 [0,2,0,0,0,0|0,0,1]=3 8938 B10R0.83 C#CC(C)C(=O)CCCSC 1458a_100000173376_200000035995 [0,2,0,0,0,0|0,0,1]=3 8939 B10R0.83 C#CC(C)C(=O)CCOCC 1458a_100000749530_200000035995 [0,2,0,0,0,0|0,0,1]=3 8940 B10R0.83 C#CC(C)C(=O)CCSCC 1458a_100000230768_200000035995 [0,2,0,0,0,0|0,0,1]=3 8941 B10R0.83 C#CC(C)C(=O)COCCC 1458a_100000745993_200000035995 [0,2,0,0,0,0|0,0,1]=3 8942 B10R0.83 C#CC(C)C(=O)COCCO 1458a_100000708028_200000035995 [0,2,0,0,0,0|1,0,1]=4 8943 B10R0.83 C#CC(C)C(=O)CSCCC 1458a_100000217233_200000035995 [0,2,0,0,0,0|0,0,1]=3 8944 B10R0.83 C#CCCCC(=O)/C(=C/C)/C 1458a_100020587367_100000731252 [0,2,0,0,0,0|0,0,2]=4 8945 B10R0.83 C#CCCCC(=O)C(C)C#C 1458a_100000690238_200000035995 [0,2,0,0,0,0|0,0,2]=4 8946 B10R0.83 C#CCCCC(=O)C(C)C#N 1458a_100000690238_100000703298 [0,2,0,0,0,0|0,0,2]=4 8947 B10R0.83 C#CCCCC(=O)C(C)C#N 1458a_100000753662_100000731252 [0,2,0,0,0,0|0,0,2]=4 8948 B10R0.83 C#CCCCC(=O)C(C)C=C 1458a_100011216780_100000731252 [0,2,0,0,0,0|0,0,2]=4 8949 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100000690238_100000758301 [0,2,0,0,0,0|0,0,1]=3 8950 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100011192722_100000731252 [0,2,0,0,0,0|0,0,1]=3 8951 B10R0.83 C#CCCCC(=O)C(C)OC 1458a_100000743197_100000731252 [0,2,0,0,0,0|0,0,1]=3 8952 B10R0.83 C#CCCCC(=O)C(C)SC 1458a_100000149566_100000731252 [0,2,0,0,0,0|0,0,1]=3 8953 B10R0.83 C#CCCCC(=O)C(O)CC 1458a_100011196387_100000731252 [0,2,0,0,0,0|1,0,1]=4 8954 B10R0.83 C#CCCCC(=O)C(O)CO 1458a_100011215603_100000731252 [0,2,0,0,0,0|1,0,1]=4 8955 B10R0.83 C#CCCCC(=O)N(C)CC 11a_100000225621_100000690238 [0,2,0,0,0,0|1,0,1]=4 8956 B10R0.83 C#CCCCC(=O)N(C)CC 1626a_100000225621_100000690238 [0,2,0,0,0,0|1,0,1]=4 8957 B10R0.83 C#CCCCC(=O)N(C)CC 240690a_100000225621_100000690238 [0,2,0,0,0,0|1,0,1]=4 8958 B10R0.83 C#CCCCC(=O)N(C)CC 527a_100000225621_100000690238 [0,2,0,0,0,0|1,0,1]=4 8959 B10R0.83 C#CCCNC(=O)C(C)CC 11a_100000755551_100011192722 [0,2,0,0,0,0|0,0,2]=4 8960 B10R0.83 C#CCCNC(=O)C(C)CC 1626a_100000755551_100011192722 [0,2,0,0,0,0|0,0,2]=4 8961 B10R0.83 C#CCCNC(=O)C(C)CC 240690a_100000755551_100011192722 [0,2,0,0,0,0|0,0,2]=4 8962 B10R0.83 C#CCCNC(=O)C(C)CC 527a_100000755551_100011192722 [0,2,0,0,0,0|0,0,2]=4 8963 B10R0.83 C#CCCNC(=O)C(C)OC 11a_100000755551_100000743197 [0,2,0,0,0,0|0,0,2]=4 8964 B10R0.83 C#CCCNC(=O)C(C)OC 1626a_100000755551_100000743197 [0,2,0,0,0,0|0,0,2]=4 8965 B10R0.83 C#CCCNC(=O)C(C)OC 240690a_100000755551_100000743197 [0,2,0,0,0,0|0,0,2]=4 8966 B10R0.83 C#CCCNC(=O)C(C)OC 527a_100000755551_100000743197 [0,2,0,0,0,0|0,0,2]=4 8967 B10R0.83 C#CCCNC(=O)C(C)SC 11a_100000755551_100000149566 [0,2,0,0,0,0|0,0,2]=4 8968 B10R0.83 C#CCCNC(=O)C(C)SC 1626a_100000755551_100000149566 [0,2,0,0,0,0|0,0,2]=4 8969 B10R0.83 C#CCCNC(=O)C(C)SC 240690a_100000755551_100000149566 [0,2,0,0,0,0|0,0,2]=4 8970 B10R0.83 C#CCCNC(=O)C(C)SC 527a_100000755551_100000149566 [0,2,0,0,0,0|0,0,2]=4 8971 B10R0.83 C#CCOCC(=O)C(C)CC 1458a_100011251226_100000758301 [0,2,0,0,0,0|0,0,2]=4 8972 B10R0.83 C/C=C(\C)/C(=O)C/C=C\CC 1458a_100020587367_100103147603 [0,2,0,0,0,0|0,0,2]=4 8973 B10R0.83 C/C=C(\C)/C(=O)CC#CCC 1458a_100020587367_100009813939 [0,2,0,0,0,0|0,0,2]=4 8974 B10R0.83 C/C=C(\C)/C(=O)CCCC#N 1458a_100020587367_100000211468 [0,2,0,0,0,0|0,0,2]=4 8975 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [0,2,0,0,0,0|0,0,1]=3 8976 B10R0.83 C/C=C(\C)/C(=O)CCCCF 1458a_100020587367_100000729493 [0,2,0,0,0,0|0,0,1]=3 8977 B10R0.83 C/C=C(\C)/C(=O)CCCCO 1458a_100020587367_100000210776 [0,2,0,0,0,0|0,0,1]=3 8978 B10R0.83 C/C=C(\C)/C(=O)CCCOC 1458a_100020587367_100000740836 [0,2,0,0,0,0|0,0,1]=3 8979 B10R0.83 C/C=C(\C)/C(=O)CCOCC 1458a_100020587367_100011215890 [0,2,0,0,0,0|0,0,1]=3 8980 B10R0.83 C/C=C(\C)/C(=O)CCSCC 1458a_100020587367_100000757381 [0,2,0,0,0,0|0,0,1]=3 8981 B10R0.83 C/C=C(\C)/C(=O)NCCCC 11a_100000102301_100020587367 [0,2,0,0,0,0|0,0,1]=3 8982 B10R0.83 C/C=C(\C)/C(=O)NCCCC 1626a_100000102301_100020587367 [0,2,0,0,0,0|0,0,1]=3 8983 B10R0.83 C/C=C(\C)/C(=O)NCCCF 11a_100015189416_100020587367 [0,2,0,0,0,0|1,0,1]=4 8984 B10R0.83 C/C=C(\C)/C(=O)NCCCF 1626a_100015189416_100020587367 [0,2,0,0,0,0|1,0,1]=4 8985 B10R0.83 C/C=C(\C)/C(=O)NCCOC 1626a_100000209980_100020587367 [0,2,0,0,0,0|1,0,1]=4 8986 B10R0.83 C/C=C(\C)/C(=O)NCCSC 11a_100020590264_100020587367 [0,2,0,0,0,0|1,0,1]=4 8987 B10R0.83 C/C=C(\C)/C(=O)NCCSC 1626a_100020590264_100020587367 [0,2,0,0,0,0|1,0,1]=4 8988 B10R0.83 C/C=C(\C)/C(=O)NNCCC 22a_100000740057_100020587367 [0,2,0,0,0,0|1,0,1]=4 8989 B10R0.83 C=CC(C)C(=O)C/C=C\CC 1458a_100011216780_100103147603 [0,2,0,0,0,0|0,0,2]=4 8990 B10R0.83 C=CC(C)C(=O)CC#CCC 1458a_100011216780_100009813939 [0,2,0,0,0,0|0,0,2]=4 8991 B10R0.83 C=CC(C)C(=O)CCCC#N 1458a_100011216780_100000211468 [0,2,0,0,0,0|0,0,2]=4 8992 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [0,2,0,0,0,0|0,0,1]=3 8993 B10R0.83 C=CC(C)C(=O)CCCCF 1458a_100011216780_100000729493 [0,2,0,0,0,0|0,0,1]=3 8994 B10R0.83 C=CC(C)C(=O)CCCCO 1458a_100011216780_100000210776 [0,2,0,0,0,0|0,0,1]=3 8995 B10R0.83 C=CC(C)C(=O)CCCOC 1458a_100011216780_100000740836 [0,2,0,0,0,0|0,0,1]=3 8996 B10R0.83 C=CC(C)C(=O)CCOCC 1458a_100011216780_100011215890 [0,2,0,0,0,0|0,0,1]=3 8997 B10R0.83 C=CC(C)C(=O)CCSCC 1458a_100011216780_100000757381 [0,2,0,0,0,0|0,0,1]=3 8998 B10R0.83 C=CC(C)C(=O)NCCCC 11a_100000102301_100011216780 [0,2,0,0,0,0|0,0,1]=3 8999 B10R0.83 C=CC(C)C(=O)NCCCC 1626a_100000102301_100011216780 [0,2,0,0,0,0|0,0,1]=3 9000 B10R0.83 C=CC(C)C(=O)NCCCC 240690a_100000102301_100011216780 [0,2,0,0,0,0|0,0,1]=3 9001 B10R0.83 C=CC(C)C(=O)NCCCC 527a_100000102301_100011216780 [0,2,0,0,0,0|0,0,1]=3 9002 B10R0.83 C=CC(C)C(=O)NCCCF 11a_100015189416_100011216780 [0,2,0,0,0,0|1,0,1]=4 9003 B10R0.83 C=CC(C)C(=O)NCCCF 1626a_100015189416_100011216780 [0,2,0,0,0,0|1,0,1]=4 9004 B10R0.83 C=CC(C)C(=O)NCCCF 240690a_100015189416_100011216780 [0,2,0,0,0,0|1,0,1]=4 9005 B10R0.83 C=CC(C)C(=O)NCCCF 527a_100015189416_100011216780 [0,2,0,0,0,0|1,0,1]=4 9006 B10R0.83 C=CC(C)C(=O)NCCCO 240690a_100000182051_100011216780 [0,2,0,0,0,0|1,0,1]=4 9007 B10R0.83 C=CC(C)C(=O)NCCCO 527a_100000182051_100011216780 [0,2,0,0,0,0|1,0,1]=4 9008 B10R0.83 C=CC(C)C(=O)NCCOC 1626a_100000209980_100011216780 [0,2,0,0,0,0|1,0,1]=4 9009 B10R0.83 C=CC(C)C(=O)NCCOC 240690a_100000209980_100011216780 [0,2,0,0,0,0|1,0,1]=4 9010 B10R0.83 C=CC(C)C(=O)NCCOC 527a_100000209980_100011216780 [0,2,0,0,0,0|1,0,1]=4 9011 B10R0.83 C=CC(C)C(=O)NCCSC 11a_100020590264_100011216780 [0,2,0,0,0,0|1,0,1]=4 9012 B10R0.83 C=CC(C)C(=O)NCCSC 1626a_100020590264_100011216780 [0,2,0,0,0,0|1,0,1]=4 9013 B10R0.83 C=CC(C)C(=O)NCCSC 240690a_100020590264_100011216780 [0,2,0,0,0,0|1,0,1]=4 9014 B10R0.83 C=CC(C)C(=O)NCCSC 527a_100020590264_100011216780 [0,2,0,0,0,0|1,0,1]=4 9015 B10R0.83 C=CC(C)C(=O)NNCCC 22a_100000740057_100011216780 [0,2,0,0,0,0|1,0,1]=4 9016 B10R0.83 C=CCCCC(=O)/C(=C/C)/C 1458a_100020587367_100000757094 [0,2,0,0,0,0|0,0,2]=4 9017 B10R0.83 C=CCCCC(=O)C(C)C#N 1458a_100000753662_100000757094 [0,2,0,0,0,0|0,0,2]=4 9018 B10R0.83 C=CCCCC(=O)C(C)C#N 1458a_100000766728_100000703298 [0,2,0,0,0,0|0,0,2]=4 9019 B10R0.83 C=CCCCC(=O)C(C)C=C 1458a_100011216780_100000757094 [0,2,0,0,0,0|0,0,2]=4 9020 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100000766728_100000758301 [0,2,0,0,0,0|0,0,1]=3 9021 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100011192722_100000757094 [0,2,0,0,0,0|0,0,1]=3 9022 B10R0.83 C=CCCCC(=O)C(C)OC 1458a_100000743197_100000757094 [0,2,0,0,0,0|0,0,1]=3 9023 B10R0.83 C=CCCCC(=O)C(C)SC 1458a_100000149566_100000757094 [0,2,0,0,0,0|0,0,1]=3 9024 B10R0.83 C=CCCCC(=O)C(O)CC 1458a_100011196387_100000757094 [0,2,0,0,0,0|1,0,1]=4 9025 B10R0.83 C=CCCCC(=O)C(O)CO 1458a_100011215603_100000757094 [0,2,0,0,0,0|1,0,1]=4 9026 B10R0.83 C=CCCCC(=O)N(C)CC 11a_100000225621_100000766728 [0,2,0,0,0,0|1,0,1]=4 9027 B10R0.83 C=CCCCC(=O)N(C)CC 1626a_100000225621_100000766728 [0,2,0,0,0,0|1,0,1]=4 9028 B10R0.83 C=CCCCC(=O)N(C)CC 240690a_100000225621_100000766728 [0,2,0,0,0,0|1,0,1]=4 9029 B10R0.83 C=CCCCC(=O)N(C)CC 527a_100000225621_100000766728 [0,2,0,0,0,0|1,0,1]=4 9030 B10R0.83 C=CCCNC(=O)C(C)CC 11a_100015191253_100011192722 [0,2,0,0,0,0|0,0,2]=4 9031 B10R0.83 C=CCCNC(=O)C(C)CC 1626a_100015191253_100011192722 [0,2,0,0,0,0|0,0,2]=4 9032 B10R0.83 C=CCCNC(=O)C(C)CC 240690a_100015191253_100011192722 [0,2,0,0,0,0|0,0,2]=4 9033 B10R0.83 C=CCCNC(=O)C(C)CC 527a_100015191253_100011192722 [0,2,0,0,0,0|0,0,2]=4 9034 B10R0.83 C=CCCNC(=O)C(C)OC 11a_100015191253_100000743197 [0,2,0,0,0,0|0,0,2]=4 9035 B10R0.83 C=CCCNC(=O)C(C)OC 1626a_100015191253_100000743197 [0,2,0,0,0,0|0,0,2]=4 9036 B10R0.83 C=CCCNC(=O)C(C)OC 240690a_100015191253_100000743197 [0,2,0,0,0,0|0,0,2]=4 9037 B10R0.83 C=CCCNC(=O)C(C)OC 527a_100015191253_100000743197 [0,2,0,0,0,0|0,0,2]=4 9038 B10R0.83 C=CCCNC(=O)C(C)SC 11a_100015191253_100000149566 [0,2,0,0,0,0|0,0,2]=4 9039 B10R0.83 C=CCCNC(=O)C(C)SC 1626a_100015191253_100000149566 [0,2,0,0,0,0|0,0,2]=4 9040 B10R0.83 C=CCCNC(=O)C(C)SC 240690a_100015191253_100000149566 [0,2,0,0,0,0|0,0,2]=4 9041 B10R0.83 C=CCCNC(=O)C(C)SC 527a_100015191253_100000149566 [0,2,0,0,0,0|0,0,2]=4 9042 B10R0.83 C=CCSCC(=O)C(C)CC 1458a_100000230395_100000758301 [0,2,0,0,0,0|0,0,2]=4 9043 B10R0.83 C=COCCC(=O)C(C)CC 1458a_100011192722_100000039644 [0,2,0,0,0,0|0,0,2]=4 9044 B10R0.83 C=COCCC(=O)C(C)OC 1458a_100000743197_100000039644 [0,2,0,0,0,0|0,0,2]=4 9045 B10R0.83 C=COCCC(=O)C(C)SC 1458a_100000149566_100000039644 [0,2,0,0,0,0|0,0,2]=4 9046 B10R0.83 CC#CCNC(=O)C(C)CC 11a_100000685387_100011192722 [0,2,0,0,0,0|0,0,2]=4 9047 B10R0.83 CC#CCNC(=O)C(C)CC 1626a_100000685387_100011192722 [0,2,0,0,0,0|0,0,2]=4 9048 B10R0.83 CC#CCNC(=O)C(C)CC 527a_100000685387_100011192722 [0,2,0,0,0,0|0,0,2]=4 9049 B10R0.83 CC#CCNC(=O)C(C)OC 11a_100000685387_100000743197 [0,2,0,0,0,0|0,0,2]=4 9050 B10R0.83 CC#CCNC(=O)C(C)OC 1626a_100000685387_100000743197 [0,2,0,0,0,0|0,0,2]=4 9051 B10R0.83 CC#CCNC(=O)C(C)OC 527a_100000685387_100000743197 [0,2,0,0,0,0|0,0,2]=4 9052 B10R0.83 CC#CCNC(=O)C(C)SC 11a_100000685387_100000149566 [0,2,0,0,0,0|0,0,2]=4 9053 B10R0.83 CC#CCNC(=O)C(C)SC 1626a_100000685387_100000149566 [0,2,0,0,0,0|0,0,2]=4 9054 B10R0.83 CC#CCNC(=O)C(C)SC 527a_100000685387_100000149566 [0,2,0,0,0,0|0,0,2]=4 9055 B10R0.83 CC(C#N)C(=O)CCCC#N 1458a_100000075515_100000703298 [0,2,0,0,0,0|0,0,2]=4 9056 B10R0.83 CC(C#N)C(=O)CCCC#N 1458a_100000753662_100000211468 [0,2,0,0,0,0|0,0,2]=4 9057 B10R0.83 CC(C#N)C(=O)CCCCF 1458a_100000753662_100000729493 [0,2,0,0,0,0|0,0,1]=3 9058 B10R0.83 CC(C#N)C(=O)CCCCO 1458a_100000695505_100000703298 [0,2,0,0,0,0|0,0,1]=3 9059 B10R0.83 CC(C#N)C(=O)CCCCO 1458a_100000753662_100000210776 [0,2,0,0,0,0|0,0,1]=3 9060 B10R0.83 CC(C#N)C(=O)COCCO 1458a_100000708028_100000703298 [0,2,0,0,0,0|1,0,1]=4 9061 B10R0.83 CC(C#N)C(=O)NCCCF 11a_100015189416_100000753662 [0,2,0,0,0,0|1,0,1]=4 9062 B10R0.83 CC(C#N)C(=O)NCCCF 1626a_100015189416_100000753662 [0,2,0,0,0,0|1,0,1]=4 9063 B10R0.83 CC(C#N)C(=O)NCCCF 240690a_100015189416_100000753662 [0,2,0,0,0,0|1,0,1]=4 9064 B10R0.83 CC(C#N)C(=O)NCCCF 527a_100015189416_100000753662 [0,2,0,0,0,0|1,0,1]=4 9065 B10R0.83 CC(C#N)C(=O)NCCCO 240690a_100000182051_100000753662 [0,2,0,0,0,0|1,0,1]=4 9066 B10R0.83 CC(C#N)C(=O)NCCCO 527a_100000182051_100000753662 [0,2,0,0,0,0|1,0,1]=4 9067 B10R0.83 CC(CO)N(C)CCCCF 2230a_100000693034_100000729493 [0,2,0,0,0,0|2,0,0]=4 9068 B10R0.83 CC(CO)N(C)CCCCF 269982a_100000693034_100000729493 [0,2,0,0,0,0|2,0,0]=4 9069 B10R0.83 CC(CO)N(C)CCCCO 2230a_100000693034_100000210776 [0,2,0,0,0,0|2,0,0]=4 9070 B10R0.83 CC(CO)N(C)CCCCO 2230a_100000717598_100012180447 [0,2,0,0,0,0|2,0,0]=4 9071 B10R0.83 CC(CO)N(C)CCCCO 269982a_100000693034_100000210776 [0,2,0,0,0,0|2,0,0]=4 9072 B10R0.83 CC/C=C/CC(=O)C(C)C#N 1458a_100016274230_100000703298 [0,2,0,0,0,0|0,0,2]=4 9073 B10R0.83 CC/C=C/CC(=O)C(C)CC 1458a_100016274230_100000758301 [0,2,0,0,0,0|0,0,1]=3 9074 B10R0.83 CC/C=C/CC(=O)N(C)CC 11a_100000225621_100016274230 [0,2,0,0,0,0|1,0,1]=4 9075 B10R0.83 CC/C=C/CC(=O)N(C)CC 1626a_100000225621_100016274230 [0,2,0,0,0,0|1,0,1]=4 9076 B10R0.83 CC/C=C/CC(=O)N(C)CC 240690a_100000225621_100016274230 [0,2,0,0,0,0|1,0,1]=4 9077 B10R0.83 CC/C=C/CC(=O)N(C)CC 527a_100000225621_100016274230 [0,2,0,0,0,0|1,0,1]=4 9078 B10R0.83 CC/C=C\CC(=O)C(C)C#N 1458a_100000753662_100103147603 [0,2,0,0,0,0|0,0,2]=4 9079 B10R0.83 CC/C=C\CC(=O)C(C)CC 1458a_100011192722_100103147603 [0,2,0,0,0,0|0,0,1]=3 9080 B10R0.83 CC/C=C\CC(=O)C(C)OC 1458a_100000743197_100103147603 [0,2,0,0,0,0|0,0,1]=3 9081 B10R0.83 CC/C=C\CC(=O)C(C)SC 1458a_100000149566_100103147603 [0,2,0,0,0,0|0,0,1]=3 9082 B10R0.83 CC/C=C\CC(=O)C(O)CC 1458a_100011196387_100103147603 [0,2,0,0,0,0|1,0,1]=4 9083 B10R0.83 CC/C=C\CC(=O)C(O)CO 1458a_100011215603_100103147603 [0,2,0,0,0,0|1,0,1]=4 9084 B10R0.83 CCC#CCC(=O)C(C)C#N 1458a_100000753662_100009813939 [0,2,0,0,0,0|0,0,2]=4 9085 B10R0.83 CCC#CCC(=O)C(C)CC 1458a_100011192722_100009813939 [0,2,0,0,0,0|0,0,1]=3 9086 B10R0.83 CCC#CCC(=O)C(C)OC 1458a_100000743197_100009813939 [0,2,0,0,0,0|0,0,1]=3 9087 B10R0.83 CCC#CCC(=O)C(C)SC 1458a_100000149566_100009813939 [0,2,0,0,0,0|0,0,1]=3 9088 B10R0.83 CCC#CCC(=O)C(O)CC 1458a_100011196387_100009813939 [0,2,0,0,0,0|1,0,1]=4 9089 B10R0.83 CCC#CCC(=O)C(O)CO 1458a_100011215603_100009813939 [0,2,0,0,0,0|1,0,1]=4 9090 B10R0.83 CCC(C)C(=O)C=CCOC 1458a_100016285016_100000758301 [0,2,0,0,0,0|0,0,2]=4 9091 B10R0.83 CCC(C)C(=O)CC#CCO 1458a_100011192722_200000047223 [0,2,0,0,0,0|0,0,2]=4 9092 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100000075515_100000758301 [0,2,0,0,0,0|0,0,1]=3 9093 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100011192722_100000211468 [0,2,0,0,0,0|0,0,1]=3 9094 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [0,2,0,0,0,0|0,0,0]=2 9095 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [0,2,0,0,0,0|0,0,0]=2 9096 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [0,2,0,0,0,0|0,0,0]=2 9097 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [0,2,0,0,0,0|0,0,0]=2 9098 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [0,2,0,0,0,0|0,0,0]=2 9099 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [0,2,0,0,0,0|0,0,0]=2 9100 B10R0.83 CCC(C)C(=O)CCN=[N+]=[N-] 1458a_100000688302_100000758301 [0,2,0,0,0,0|2,0,0]=4 9101 B10R0.83 CCC(C)C(=O)COCCO 1458a_100000708028_100000758301 [0,2,0,0,0,0|1,0,0]=3 9102 B10R0.83 CCC(C)C(=O)CSCC#N 1458a_100000150266_100000758301 [0,2,0,0,0,0|1,0,1]=4 9103 B10R0.83 CCC(C)C(=O)NCCC#N 11a_100000720768_100011192722 [0,2,0,0,0,0|1,0,1]=4 9104 B10R0.83 CCC(C)C(=O)NCCC#N 1626a_100000720768_100011192722 [0,2,0,0,0,0|1,0,1]=4 9105 B10R0.83 CCC(C)C(=O)NCCC#N 240690a_100000720768_100011192722 [0,2,0,0,0,0|1,0,1]=4 9106 B10R0.83 CCC(C)C(=O)NCCC#N 527a_100000720768_100011192722 [0,2,0,0,0,0|1,0,1]=4 9107 B10R0.83 CCC(C)C(=O)NCCCF 11a_100015189416_100011192722 [0,2,0,0,0,0|1,0,0]=3 9108 B10R0.83 CCC(C)C(=O)NCCCF 1626a_100015189416_100011192722 [0,2,0,0,0,0|1,0,0]=3 9109 B10R0.83 CCC(C)C(=O)NCCCF 240690a_100015189416_100011192722 [0,2,0,0,0,0|1,0,0]=3 9110 B10R0.83 CCC(C)C(=O)NCCCF 527a_100015189416_100011192722 [0,2,0,0,0,0|1,0,0]=3 9111 B10R0.83 CCC(C)C(=O)NCCCO 240690a_100000182051_100011192722 [0,2,0,0,0,0|1,0,0]=3 9112 B10R0.83 CCC(C)C(=O)NCCCO 527a_100000182051_100011192722 [0,2,0,0,0,0|1,0,0]=3 9113 B10R0.83 CCC(C)C(=O)NCCOC 1626a_100000209980_100011192722 [0,2,0,0,0,0|1,0,0]=3 9114 B10R0.83 CCC(C)C(=O)NCCOC 240690a_100000209980_100011192722 [0,2,0,0,0,0|1,0,0]=3 9115 B10R0.83 CCC(C)C(=O)NCCOC 527a_100000209980_100011192722 [0,2,0,0,0,0|1,0,0]=3 9116 B10R0.83 CCC(C)C(=O)NCCSC 11a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 9117 B10R0.83 CCC(C)C(=O)NCCSC 1626a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 9118 B10R0.83 CCC(C)C(=O)NCCSC 240690a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 9119 B10R0.83 CCC(C)C(=O)NCCSC 527a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 9120 B10R0.83 CCC(C)C(=O)NNCCO 22a_100000210001_100011192722 [0,2,0,0,0,0|2,0,0]=4 9121 B10R0.83 CCC(C)N(C)CCCCF 2230a_100000741768_100000729493 [0,2,0,0,0,0|2,0,0]=4 9122 B10R0.83 CCC(C)N(C)CCCCF 269982a_100000741768_100000729493 [0,2,0,0,0,0|2,0,0]=4 9123 B10R0.83 CCC(C)N(C)CCCCO 2230a_100000717598_100000758301 [0,2,0,0,0,0|2,0,0]=4 9124 B10R0.83 CCC(C)N(C)CCCCO 2230a_100000741768_100000210776 [0,2,0,0,0,0|2,0,0]=4 9125 B10R0.83 CCC(C)N(C)CCCCO 269982a_100000717598_100000758301 [0,2,0,0,0,0|2,0,0]=4 9126 B10R0.83 CCC(C)N(C)CCCCO 269982a_100000741768_100000210776 [0,2,0,0,0,0|2,0,0]=4 9127 B10R0.83 CCC(C)N(C)CCCOC 2230a_100000224831_100000758301 [0,2,0,0,0,0|2,0,0]=4 9128 B10R0.83 CCC(C)N(C)CCCOC 2230a_100000741768_100000740836 [0,2,0,0,0,0|2,0,0]=4 9129 B10R0.83 CCC(C)N(C)CCCOC 269982a_100000224831_100000758301 [0,2,0,0,0,0|2,0,0]=4 9130 B10R0.83 CCC(C)N(C)CCCOC 269982a_100000741768_100000740836 [0,2,0,0,0,0|2,0,0]=4 9131 B10R0.83 CCC(O)C(=O)CCCC#N 1458a_100011196387_100000211468 [0,2,0,0,0,0|1,0,1]=4 9132 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,2,0,0,0,0|1,0,0]=3 9133 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,2,0,0,0,0|1,0,0]=3 9134 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,2,0,0,0,0|1,0,0]=3 9135 B10R0.83 CCC(O)C(=O)NCCCF 240690a_100015189416_100011196387 [0,2,0,0,0,0|2,0,0]=4 9136 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [0,2,0,0,0,0|2,0,0]=4 9137 B10R0.83 CCC(O)C(=O)NCCOC 240690a_100000209980_100011196387 [0,2,0,0,0,0|2,0,0]=4 9138 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [0,2,0,0,0,0|2,0,0]=4 9139 B10R0.83 CCC=NNC(=O)C(C)CC 4a_100000740736_100000210100 [0,2,0,0,0,0|1,0,1]=4 9140 B10R0.83 CCC=NNC(=O)C(C)OC 4a_100000243824_100000210100 [0,2,0,0,0,0|1,0,1]=4 9141 B10R0.83 CCCC#CC(=O)C(C)C#N 1458a_200011218047_100000703298 [0,2,0,0,0,0|0,0,2]=4 9142 B10R0.83 CCCC#CC(=O)C(C)CC 1458a_200011218047_100000758301 [0,2,0,0,0,0|0,0,1]=3 9143 B10R0.83 CCCC#CC(=O)N(C)CC 240690a_100000225621_200011218047 [0,2,0,0,0,0|1,0,1]=4 9144 B10R0.83 CCCC=CC(=O)C(C)C#N 1458a_100000212230_100000703298 [0,2,0,0,0,0|0,0,2]=4 9145 B10R0.83 CCCC=CC(=O)C(C)CC 1458a_100000212230_100000758301 [0,2,0,0,0,0|0,0,1]=3 9146 B10R0.83 CCCC=CC(=O)N(C)CC 11a_100000225621_100000212230 [0,2,0,0,0,0|1,0,1]=4 9147 B10R0.83 CCCC=CC(=O)N(C)CC 1626a_100000225621_100000212230 [0,2,0,0,0,0|1,0,1]=4 9148 B10R0.83 CCCC=CC(=O)N(C)CC 240690a_100000225621_100000212230 [0,2,0,0,0,0|1,0,1]=4 9149 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,2,0,0,0,0|1,0,1]=4 9150 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000212188_100000703298 [0,2,0,0,0,0|0,0,1]=3 9151 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000753662_100000210326 [0,2,0,0,0,0|0,0,1]=3 9152 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,2,0,0,0,0|0,0,0]=2 9153 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,2,0,0,0,0|0,0,0]=2 9154 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,2,0,0,0,0|0,0,0]=2 9155 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [0,2,0,0,0,0|0,0,0]=2 9156 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|1,0,0]=3 9157 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,2,0,0,0,0|1,0,0]=3 9158 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,2,0,0,0,0|1,0,0]=3 9159 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,2,0,0,0,0|1,0,0]=3 9160 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,2,0,0,0,0|1,0,0]=3 9161 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,2,0,0,0,0|1,0,0]=3 9162 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000223495_100000758301 [0,2,0,0,0,0|2,0,0]=4 9163 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000741768_100000210326 [0,2,0,0,0,0|2,0,0]=4 9164 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000223495_100000758301 [0,2,0,0,0,0|2,0,0]=4 9165 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000741768_100000210215 [0,2,0,0,0,0|2,0,0]=4 9166 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000223495_100012180447 [0,2,0,0,0,0|2,0,0]=4 9167 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000693034_100000210326 [0,2,0,0,0,0|2,0,0]=4 9168 B10R0.83 CCCCCN(C)C(C)CO 269982a_100000693034_100000210215 [0,2,0,0,0,0|2,0,0]=4 9169 B10R0.83 CCCCCN(C)C(C)OC 269982a_100000223495_100009879195 [0,2,0,0,0,0|2,0,0]=4 9170 B10R0.83 CCCCCN(C)[C@H](C)CO 269982a_100000223495_100016084084 [0,2,0,0,0,0|2,0,0]=4 9171 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 9172 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 9173 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 9174 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 9175 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 9176 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 9177 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 9178 B10R0.83 CCCCNC(=O)C(C)C#N 11a_100000102301_100000753662 [0,2,0,0,0,0|0,0,1]=3 9179 B10R0.83 CCCCNC(=O)C(C)C#N 1626a_100000102301_100000753662 [0,2,0,0,0,0|0,0,1]=3 9180 B10R0.83 CCCCNC(=O)C(C)C#N 240690a_100000102301_100000753662 [0,2,0,0,0,0|0,0,1]=3 9181 B10R0.83 CCCCNC(=O)C(C)C#N 527a_100000102301_100000753662 [0,2,0,0,0,0|0,0,1]=3 9182 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [0,2,0,0,0,0|0,0,0]=2 9183 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [0,2,0,0,0,0|0,0,0]=2 9184 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [0,2,0,0,0,0|0,0,0]=2 9185 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [0,2,0,0,0,0|0,0,0]=2 9186 B10R0.83 CCCCNC(=O)C(C)NC 2230a_106832991635_100000735917 [0,2,0,0,0,0|0,0,0]=2 9187 B10R0.83 CCCCNC(=O)C(C)NC 34a_100102657272_100000735917 [0,2,0,0,0,0|0,0,0]=2 9188 B10R0.83 CCCCNC(=O)C(C)NC 7a_106832991635_100000735917 [0,2,0,0,0,0|0,0,0]=2 9189 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [0,2,0,0,0,0|0,0,0]=2 9190 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [0,2,0,0,0,0|0,0,0]=2 9191 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [0,2,0,0,0,0|0,0,0]=2 9192 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [0,2,0,0,0,0|0,0,0]=2 9193 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [0,2,0,0,0,0|0,0,0]=2 9194 B10R0.83 CCCCNC(=O)C(C)SC 11a_100000102301_100000149566 [0,2,0,0,0,0|0,0,0]=2 9195 B10R0.83 CCCCNC(=O)C(C)SC 1626a_100000102301_100000149566 [0,2,0,0,0,0|0,0,0]=2 9196 B10R0.83 CCCCNC(=O)C(C)SC 240690a_100000102301_100000149566 [0,2,0,0,0,0|0,0,0]=2 9197 B10R0.83 CCCCNC(=O)C(C)SC 527a_100000102301_100000149566 [0,2,0,0,0,0|0,0,0]=2 9198 B10R0.83 CCCCNC(=O)C(C)SC 62a_100000735917_200000210301 [0,2,0,0,0,0|0,0,0]=2 9199 B10R0.83 CCCCNC(=O)C(C)SC 62a_200000210301_100000735917 [0,2,0,0,0,0|0,0,0]=2 9200 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_100000735917_200025704644 [0,2,0,0,0,0|0,0,0]=2 9201 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735917 [0,2,0,0,0,0|0,0,0]=2 9202 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [0,2,0,0,0,0|1,0,0]=3 9203 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [0,2,0,0,0,0|1,0,0]=3 9204 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [0,2,0,0,0,0|1,0,0]=3 9205 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [0,2,0,0,0,0|1,0,0]=3 9206 B10R0.83 CCCCNC(C)C(C)CC 269862a_100000102301_100000210599 [0,2,0,0,0,0|1,0,1]=4 9207 B10R0.83 CCCCNC(C)C(C)CC 270004a_100000102301_100000210599 [0,2,0,0,0,0|1,0,1]=4 9208 B10R0.83 CCCCOC(=O)C(C)NC 2230a_106832991635_100000759602 [0,2,0,0,0,0|0,0,0]=2 9209 B10R0.83 CCCCOC(=O)C(C)NC 34a_100102657272_100000759602 [0,2,0,0,0,0|0,0,0]=2 9210 B10R0.83 CCCCOC(=O)C(C)NC 7a_106832991635_100000759602 [0,2,0,0,0,0|0,0,0]=2 9211 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [0,2,0,0,0,0|0,0,0]=2 9212 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [0,2,0,0,0,0|0,0,0]=2 9213 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [0,2,0,0,0,0|0,0,0]=2 9214 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [0,2,0,0,0,0|0,0,0]=2 9215 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [0,2,0,0,0,0|0,0,0]=2 9216 B10R0.83 CCCCOC(=O)C(C)SC 62a_100000759602_200000210301 [0,2,0,0,0,0|0,0,0]=2 9217 B10R0.83 CCCCOC(=O)C(C)SC 62a_200000210301_100000759602 [0,2,0,0,0,0|0,0,0]=2 9218 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_100000759602_200025704644 [0,2,0,0,0,0|0,0,0]=2 9219 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000759602 [0,2,0,0,0,0|0,0,0]=2 9220 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [0,2,0,0,0,0|1,0,1]=4 9221 B10R0.83 CCCNCC(=O)N(C)OC 2230a_100015207273_100000210303 [0,2,0,0,0,0|1,0,0]=3 9222 B10R0.83 CCCNN=C(C)C(C)CC 4a_100000740057_100000210599 [0,2,0,0,0,0|2,0,0]=4 9223 B10R0.83 CCCNN=C(C)C(C)CO 4a_100000740057_100000032740 [0,2,0,0,0,0|2,0,0]=4 9224 B10R0.83 CCCNN=C(C)C(C)SC 4a_100000740057_200011218923 [0,2,0,0,0,0|2,0,0]=4 9225 B10R0.83 CCCNNC(=O)C(C)C#N 22a_100000740057_100000753662 [0,2,0,0,0,0|1,0,1]=4 9226 B10R0.83 CCCNNC(=O)C(C)CC 22a_100000740057_100011192722 [0,2,0,0,0,0|1,0,0]=3 9227 B10R0.83 CCCNNC(=O)C(C)OC 22a_100000740057_100000743197 [0,2,0,0,0,0|1,0,0]=3 9228 B10R0.83 CCCNNC(=O)C(C)SC 22a_100000740057_100000149566 [0,2,0,0,0,0|1,0,0]=3 9229 B10R0.83 CCCNNC(=O)C(O)CC 22a_100000740057_100011196387 [0,2,0,0,0,0|2,0,0]=4 9230 B10R0.83 CCCNNC(=O)C(O)CO 22a_100000740057_100011215603 [0,2,0,0,0,0|2,0,0]=4 9231 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|1,0,1]=4 9232 B10R0.83 CCCOCC(=O)C(C)C#N 1458a_100000745993_100000703298 [0,2,0,0,0,0|0,0,1]=3 9233 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [0,2,0,0,0,0|0,0,0]=2 9234 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 9235 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 9236 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 9237 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [0,2,0,0,0,0|1,0,0]=3 9238 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 9239 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,2,0,0,0,0|1,0,1]=4 9240 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,2,0,0,0,0|1,0,1]=4 9241 B10R0.83 CCCSCC(=O)C(C)C#N 1458a_100000217233_100000703298 [0,2,0,0,0,0|0,0,1]=3 9242 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [0,2,0,0,0,0|0,0,0]=2 9243 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [0,2,0,0,0,0|1,0,0]=3 9244 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [0,2,0,0,0,0|1,0,0]=3 9245 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [0,2,0,0,0,0|1,0,0]=3 9246 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [0,2,0,0,0,0|1,0,0]=3 9247 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [0,2,0,0,0,0|1,0,0]=3 9248 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [0,2,0,0,0,0|1,0,0]=3 9249 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000210303_100000764215 [0,2,0,0,0,0|1,0,0]=3 9250 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000764215_100000210303 [0,2,0,0,0,0|1,0,0]=3 9251 B10R0.83 CCN(C)C(=O)CCCC#N 11a_100000225621_100000075515 [0,2,0,0,0,0|1,0,1]=4 9252 B10R0.83 CCN(C)C(=O)CCCC#N 1626a_100000225621_100000075515 [0,2,0,0,0,0|1,0,1]=4 9253 B10R0.83 CCN(C)C(=O)CCCC#N 240690a_100000225621_100000075515 [0,2,0,0,0,0|1,0,1]=4 9254 B10R0.83 CCN(C)C(=O)CCCC#N 527a_100000225621_100000075515 [0,2,0,0,0,0|1,0,1]=4 9255 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [0,2,0,0,0,0|1,0,0]=3 9256 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [0,2,0,0,0,0|1,0,0]=3 9257 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [0,2,0,0,0,0|1,0,0]=3 9258 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [0,2,0,0,0,0|1,0,0]=3 9259 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [0,2,0,0,0,0|1,0,0]=3 9260 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 9261 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 9262 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 9263 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [0,2,0,0,0,0|1,0,0]=3 9264 B10R0.83 CCN(C)C(=O)CNCCF 34a_100000724931_100000738999 [0,2,0,0,0,0|2,0,0]=4 9265 B10R0.83 CCN(C)C(=O)CNCCO 2230a_100016997473_100000738999 [0,2,0,0,0,0|2,0,0]=4 9266 B10R0.83 CCN(C)C(=O)CNCCO 34a_100016990907_100000738999 [0,2,0,0,0,0|2,0,0]=4 9267 B10R0.83 CCN(C)C(=O)COCCBr 34a_100000211926_100000738999 [0,2,0,0,0,0|2,0,0]=4 9268 B10R0.83 CCN(C)C(=O)COCCN 34a_100000210304_100000738999 [0,2,0,0,0,0|2,0,0]=4 9269 B10R0.83 CCN(C)C(=O)COCCO 1626a_100000225621_100000708028 [0,2,0,0,0,0|2,0,0]=4 9270 B10R0.83 CCN(C)C(=O)COCCO 240690a_100000225621_100000708028 [0,2,0,0,0,0|2,0,0]=4 9271 B10R0.83 CCN(C)C(=O)CSCCF 62a_100000738999_100011217306 [0,2,0,0,0,0|2,0,0]=4 9272 B10R0.83 CCN(C)C(=O)CSCCF 62a_100011217306_100000738999 [0,2,0,0,0,0|2,0,0]=4 9273 B10R0.83 CCN(C)C(=O)CSCCO 62a_100000211926_100000738999 [0,2,0,0,0,0|2,0,0]=4 9274 B10R0.83 CCN(C)C(=O)CSCCO 62a_100000738999_100000211926 [0,2,0,0,0,0|2,0,0]=4 9275 B10R0.83 CCN(C)C(=O)CSCOC 62a_100000738999_100000766300 [0,2,0,0,0,0|2,0,0]=4 9276 B10R0.83 CCN(C)C(=O)CSCOC 62a_100000766300_100000738999 [0,2,0,0,0,0|2,0,0]=4 9277 B10R0.83 CCN(C)C(=O)CSCSC 62a_100000738999_100011218213 [0,2,0,0,0,0|2,0,0]=4 9278 B10R0.83 CCN(C)C(=O)CSCSC 62a_100011218213_100000738999 [0,2,0,0,0,0|2,0,0]=4 9279 B10R0.83 CCN(C)C(=O)NCCCF 2708a_100015189416_100000225621 [0,2,0,0,0,0|2,0,0]=4 9280 B10R0.83 CCN(C)C(=O)NCCCF 273464a_100015189416_100000225621 [0,2,0,0,0,0|2,0,0]=4 9281 B10R0.83 CCN(C)C(=O)NCCCO 273464a_100000182051_100000225621 [0,2,0,0,0,0|2,0,0]=4 9282 B10R0.83 CCN(C)C(=O)NCCOC 273464a_100000209980_100000225621 [0,2,0,0,0,0|2,0,0]=4 9283 B10R0.83 CCN(C)C(=O)NCCSC 2708a_100020590264_100000225621 [0,2,0,0,0,0|2,0,0]=4 9284 B10R0.83 CCN(C)C(=O)NCCSC 273464a_100020590264_100000225621 [0,2,0,0,0,0|2,0,0]=4 9285 B10R0.83 CCOC=CC(=O)C(C)CC 1458a_100016266692_100000758301 [0,2,0,0,0,0|0,0,2]=4 9286 B10R0.83 CCOCCC(=O)C(=O)NC 1458a_100011218921_100011215890 [0,2,0,0,0,0|1,0,1]=4 9287 B10R0.83 CCOCCC(=O)C(C)C#N 1458a_100000749530_100000703298 [0,2,0,0,0,0|0,0,1]=3 9288 B10R0.83 CCOCCC(=O)C(C)C#N 1458a_100000753662_100011215890 [0,2,0,0,0,0|0,0,1]=3 9289 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [0,2,0,0,0,0|0,0,0]=2 9290 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [0,2,0,0,0,0|0,0,0]=2 9291 B10R0.83 CCOCCC(=O)C(C)OC 1458a_100000743197_100011215890 [0,2,0,0,0,0|0,0,0]=2 9292 B10R0.83 CCOCCC(=O)C(C)SC 1458a_100000149566_100011215890 [0,2,0,0,0,0|0,0,0]=2 9293 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,2,0,0,0,0|1,0,0]=3 9294 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [0,2,0,0,0,0|1,0,0]=3 9295 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [0,2,0,0,0,0|1,0,0]=3 9296 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [0,2,0,0,0,0|1,0,0]=3 9297 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [0,2,0,0,0,0|1,0,0]=3 9298 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [0,2,0,0,0,0|1,0,0]=3 9299 B10R0.83 CCOCCN(C)C(C)CC 2230a_100000741768_100011215890 [0,2,0,0,0,0|2,0,0]=4 9300 B10R0.83 CCOCCN(C)C(C)CC 269982a_100000741768_100011215890 [0,2,0,0,0,0|2,0,0]=4 9301 B10R0.83 CCOCCN(C)C(C)CO 2230a_100000693034_100011215890 [0,2,0,0,0,0|2,0,0]=4 9302 B10R0.83 CCOCCN(C)C(C)CO 269982a_100000693034_100011215890 [0,2,0,0,0,0|2,0,0]=4 9303 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [0,2,0,0,0,0|1,0,1]=4 9304 B10R0.83 CCSCCC(=O)C(C)C#N 1458a_100000230768_100000703298 [0,2,0,0,0,0|0,0,1]=3 9305 B10R0.83 CCSCCC(=O)C(C)C#N 1458a_100000753662_100000757381 [0,2,0,0,0,0|0,0,1]=3 9306 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [0,2,0,0,0,0|0,0,0]=2 9307 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [0,2,0,0,0,0|0,0,0]=2 9308 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [0,2,0,0,0,0|0,0,0]=2 9309 B10R0.83 CCSCCC(=O)C(C)SC 1458a_100000149566_100000757381 [0,2,0,0,0,0|0,0,0]=2 9310 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,2,0,0,0,0|1,0,0]=3 9311 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [0,2,0,0,0,0|1,0,0]=3 9312 B10R0.83 CCSCCC(=O)N(C)CC 11a_100000225621_100000230768 [0,2,0,0,0,0|1,0,0]=3 9313 B10R0.83 CCSCCC(=O)N(C)CC 1626a_100000225621_100000230768 [0,2,0,0,0,0|1,0,0]=3 9314 B10R0.83 CCSCCC(=O)N(C)CC 240690a_100000225621_100000230768 [0,2,0,0,0,0|1,0,0]=3 9315 B10R0.83 CCSCCC(=O)N(C)CC 527a_100000225621_100000230768 [0,2,0,0,0,0|1,0,0]=3 9316 B10R0.83 CCSCCN(C)C(C)CC 2230a_100000741768_100000757381 [0,2,0,0,0,0|2,0,0]=4 9317 B10R0.83 CCSCCN(C)C(C)CC 269982a_100000741768_100000757381 [0,2,0,0,0,0|2,0,0]=4 9318 B10R0.83 CCSCCN(C)C(C)CO 2230a_100000693034_100000757381 [0,2,0,0,0,0|2,0,0]=4 9319 B10R0.83 CCSCCN(C)C(C)CO 269982a_100000693034_100000757381 [0,2,0,0,0,0|2,0,0]=4 9320 B10R0.83 CNC(=O)C(=O)CCCCF 1458a_100011218921_100000729493 [0,2,0,0,0,0|1,0,1]=4 9321 B10R0.83 CNC(=O)C(=O)CCCCO 1458a_100011218921_100000210776 [0,2,0,0,0,0|1,0,1]=4 9322 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [0,2,0,0,0,0|1,0,1]=4 9323 B10R0.83 CNC(C)C(=O)NCCOC 2230a_106832991635_100000230274 [0,2,0,0,0,0|1,0,0]=3 9324 B10R0.83 CNC(C)C(=O)NCCOC 7a_106832991635_100000230274 [0,2,0,0,0,0|1,0,0]=3 9325 B10R0.83 CNCCCC(=O)N(C)OC 7a_106832991635_100011842776 [0,2,0,0,0,0|1,0,0]=3 9326 B10R0.83 COC(C)C(=O)CC#CCO 1458a_100000743197_200000047223 [0,2,0,0,0,0|0,0,2]=4 9327 B10R0.83 COC(C)C(=O)CCCC#N 1458a_100000743197_100000211468 [0,2,0,0,0,0|0,0,1]=3 9328 B10R0.83 COC(C)C(=O)CCCCF 1458a_100000743197_100000729493 [0,2,0,0,0,0|0,0,0]=2 9329 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [0,2,0,0,0,0|0,0,0]=2 9330 B10R0.83 COC(C)C(=O)NCCC#N 11a_100000720768_100000743197 [0,2,0,0,0,0|1,0,1]=4 9331 B10R0.83 COC(C)C(=O)NCCC#N 1626a_100000720768_100000743197 [0,2,0,0,0,0|1,0,1]=4 9332 B10R0.83 COC(C)C(=O)NCCC#N 240690a_100000720768_100000743197 [0,2,0,0,0,0|1,0,1]=4 9333 B10R0.83 COC(C)C(=O)NCCC#N 527a_100000720768_100000743197 [0,2,0,0,0,0|1,0,1]=4 9334 B10R0.83 COC(C)C(=O)NCCCF 11a_100015189416_100000743197 [0,2,0,0,0,0|1,0,0]=3 9335 B10R0.83 COC(C)C(=O)NCCCF 1626a_100015189416_100000743197 [0,2,0,0,0,0|1,0,0]=3 9336 B10R0.83 COC(C)C(=O)NCCCF 240690a_100015189416_100000743197 [0,2,0,0,0,0|1,0,0]=3 9337 B10R0.83 COC(C)C(=O)NCCCF 527a_100015189416_100000743197 [0,2,0,0,0,0|1,0,0]=3 9338 B10R0.83 COC(C)C(=O)NCCCO 240690a_100000182051_100000743197 [0,2,0,0,0,0|1,0,0]=3 9339 B10R0.83 COC(C)C(=O)NCCCO 527a_100000182051_100000743197 [0,2,0,0,0,0|1,0,0]=3 9340 B10R0.83 COC(C)C(=O)NCCSC 11a_100020590264_100000743197 [0,2,0,0,0,0|1,0,0]=3 9341 B10R0.83 COC(C)C(=O)NCCSC 1626a_100020590264_100000743197 [0,2,0,0,0,0|1,0,0]=3 9342 B10R0.83 COC(C)C(=O)NCCSC 240690a_100020590264_100000743197 [0,2,0,0,0,0|1,0,0]=3 9343 B10R0.83 COC(C)C(=O)NCCSC 527a_100020590264_100000743197 [0,2,0,0,0,0|1,0,0]=3 9344 B10R0.83 COC(C)C(=O)NNCCO 22a_100000210001_100000743197 [0,2,0,0,0,0|2,0,0]=4 9345 B10R0.83 COC(C)N(C)CCCCO 269982a_100000717598_100009879195 [0,2,0,0,0,0|2,0,0]=4 9346 B10R0.83 COCCCC(=O)C(C)C#N 1458a_100000741012_100000703298 [0,2,0,0,0,0|0,0,1]=3 9347 B10R0.83 COCCCC(=O)C(C)C#N 1458a_100000753662_100000740836 [0,2,0,0,0,0|0,0,1]=3 9348 B10R0.83 COCCCC(=O)C(C)OC 1458a_100000743197_100000740836 [0,2,0,0,0,0|0,0,0]=2 9349 B10R0.83 COCCCC(=O)C(C)SC 1458a_100000149566_100000740836 [0,2,0,0,0,0|0,0,0]=2 9350 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [0,2,0,0,0,0|1,0,0]=3 9351 B10R0.83 COCCCN(C)C(C)CO 2230a_100000224831_100012180447 [0,2,0,0,0,0|2,0,0]=4 9352 B10R0.83 COCCCN(C)C(C)CO 2230a_100000693034_100000740836 [0,2,0,0,0,0|2,0,0]=4 9353 B10R0.83 COCCCN(C)C(C)CO 269982a_100000693034_100000740836 [0,2,0,0,0,0|2,0,0]=4 9354 B10R0.83 COCCCN(C)C(C)OC 269982a_100000224831_100009879195 [0,2,0,0,0,0|2,0,0]=4 9355 B10R0.83 COCCCN(C)[C@H](C)CO 269982a_100000224831_100016084084 [0,2,0,0,0,0|2,0,0]=4 9356 B10R0.83 COCCNC(=O)C(C)C#N 1626a_100000209980_100000753662 [0,2,0,0,0,0|1,0,1]=4 9357 B10R0.83 COCCNC(=O)C(C)C#N 240690a_100000209980_100000753662 [0,2,0,0,0,0|1,0,1]=4 9358 B10R0.83 COCCNC(=O)C(C)C#N 527a_100000209980_100000753662 [0,2,0,0,0,0|1,0,1]=4 9359 B10R0.83 COCCNC(=O)C(C)OC 1626a_100000209980_100000743197 [0,2,0,0,0,0|1,0,0]=3 9360 B10R0.83 COCCNC(=O)C(C)OC 240690a_100000209980_100000743197 [0,2,0,0,0,0|1,0,0]=3 9361 B10R0.83 COCCNC(=O)C(C)OC 527a_100000209980_100000743197 [0,2,0,0,0,0|1,0,0]=3 9362 B10R0.83 COCCNC(=O)C(C)SC 1626a_100000209980_100000149566 [0,2,0,0,0,0|1,0,0]=3 9363 B10R0.83 COCCNC(=O)C(C)SC 240690a_100000209980_100000149566 [0,2,0,0,0,0|1,0,0]=3 9364 B10R0.83 COCCNC(=O)C(C)SC 527a_100000209980_100000149566 [0,2,0,0,0,0|1,0,0]=3 9365 B10R0.83 COCCNC(=O)C(C)SC 62a_100000230274_200000210301 [0,2,0,0,0,0|1,0,0]=3 9366 B10R0.83 COCCNC(=O)C(C)SC 62a_200000210301_100000230274 [0,2,0,0,0,0|1,0,0]=3 9367 B10R0.83 COCCNC(=O)C(C)S[13CH3] 62a_100000230274_200025704644 [0,2,0,0,0,0|1,0,0]=3 9368 B10R0.83 COCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230274 [0,2,0,0,0,0|1,0,0]=3 9369 B10R0.83 COCCNC(=O)C(O)CO 240690a_100000209980_100011215603 [0,2,0,0,0,0|2,0,0]=4 9370 B10R0.83 COCNCC(=O)N(C)OC 2230a_100015207273_100000766300 [0,2,0,0,0,0|2,0,0]=4 9371 B10R0.83 COCSCC(=O)N(C)OC 62a_100000764215_100000766300 [0,2,0,0,0,0|2,0,0]=4 9372 B10R0.83 COCSCC(=O)N(C)OC 62a_100000766300_100000764215 [0,2,0,0,0,0|2,0,0]=4 9373 B10R0.83 CON(C)C(=O)CCCSC 62a_100011842776_200000210301 [0,2,0,0,0,0|1,0,0]=3 9374 B10R0.83 CON(C)C(=O)CCCSC 62a_200000210301_100011842776 [0,2,0,0,0,0|1,0,0]=3 9375 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_100011842776_200025704644 [0,2,0,0,0,0|1,0,0]=3 9376 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_200025704644_100011842776 [0,2,0,0,0,0|1,0,0]=3 9377 B10R0.83 CON(C)C(=O)CNCCF 2230a_100015207273_100011217306 [0,2,0,0,0,0|2,0,0]=4 9378 B10R0.83 CON(C)C(=O)CNCCO 2230a_100015207273_100000211926 [0,2,0,0,0,0|2,0,0]=4 9379 B10R0.83 CON(C)C(=O)CNCCO 2230a_100016997473_100000764215 [0,2,0,0,0,0|2,0,0]=4 9380 B10R0.83 CON(C)C(=O)CNCSC 2230a_100015207273_100011218213 [0,2,0,0,0,0|2,0,0]=4 9381 B10R0.83 CON(C)C(=O)CSCCF 62a_100000764215_100011217306 [0,2,0,0,0,0|2,0,0]=4 9382 B10R0.83 CON(C)C(=O)CSCCF 62a_100011217306_100000764215 [0,2,0,0,0,0|2,0,0]=4 9383 B10R0.83 CON(C)C(=O)CSCCO 62a_100000211926_100000764215 [0,2,0,0,0,0|2,0,0]=4 9384 B10R0.83 CON(C)C(=O)CSCCO 62a_100000764215_100000211926 [0,2,0,0,0,0|2,0,0]=4 9385 B10R0.83 CON(C)C(=O)CSCSC 62a_100000764215_100011218213 [0,2,0,0,0,0|2,0,0]=4 9386 B10R0.83 CON(C)C(=O)CSCSC 62a_100011218213_100000764215 [0,2,0,0,0,0|2,0,0]=4 9387 B10R0.83 CSC(C)C(=O)CC#CCO 1458a_100000149566_200000047223 [0,2,0,0,0,0|0,0,2]=4 9388 B10R0.83 CSC(C)C(=O)CCCC#N 1458a_100000149566_100000211468 [0,2,0,0,0,0|0,0,1]=3 9389 B10R0.83 CSC(C)C(=O)CCCCF 1458a_100000149566_100000729493 [0,2,0,0,0,0|0,0,0]=2 9390 B10R0.83 CSC(C)C(=O)CCCCO 1458a_100000149566_100000210776 [0,2,0,0,0,0|0,0,0]=2 9391 B10R0.83 CSC(C)C(=O)NCCC#N 11a_100000720768_100000149566 [0,2,0,0,0,0|1,0,1]=4 9392 B10R0.83 CSC(C)C(=O)NCCC#N 1626a_100000720768_100000149566 [0,2,0,0,0,0|1,0,1]=4 9393 B10R0.83 CSC(C)C(=O)NCCC#N 240690a_100000720768_100000149566 [0,2,0,0,0,0|1,0,1]=4 9394 B10R0.83 CSC(C)C(=O)NCCC#N 527a_100000720768_100000149566 [0,2,0,0,0,0|1,0,1]=4 9395 B10R0.83 CSC(C)C(=O)NCCCF 11a_100015189416_100000149566 [0,2,0,0,0,0|1,0,0]=3 9396 B10R0.83 CSC(C)C(=O)NCCCF 1626a_100015189416_100000149566 [0,2,0,0,0,0|1,0,0]=3 9397 B10R0.83 CSC(C)C(=O)NCCCF 240690a_100015189416_100000149566 [0,2,0,0,0,0|1,0,0]=3 9398 B10R0.83 CSC(C)C(=O)NCCCF 527a_100015189416_100000149566 [0,2,0,0,0,0|1,0,0]=3 9399 B10R0.83 CSC(C)C(=O)NCCCO 240690a_100000182051_100000149566 [0,2,0,0,0,0|1,0,0]=3 9400 B10R0.83 CSC(C)C(=O)NCCCO 527a_100000182051_100000149566 [0,2,0,0,0,0|1,0,0]=3 9401 B10R0.83 CSC(C)C(=O)NNCCO 22a_100000210001_100000149566 [0,2,0,0,0,0|2,0,0]=4 9402 B10R0.83 CSCCCC(=O)C(C)C#N 1458a_100000173376_100000703298 [0,2,0,0,0,0|0,0,1]=3 9403 B10R0.83 CSCCNC(=O)C(C)C#N 11a_100020590264_100000753662 [0,2,0,0,0,0|1,0,1]=4 9404 B10R0.83 CSCCNC(=O)C(C)C#N 1626a_100020590264_100000753662 [0,2,0,0,0,0|1,0,1]=4 9405 B10R0.83 CSCCNC(=O)C(C)C#N 240690a_100020590264_100000753662 [0,2,0,0,0,0|1,0,1]=4 9406 B10R0.83 CSCCNC(=O)C(C)C#N 527a_100020590264_100000753662 [0,2,0,0,0,0|1,0,1]=4 9407 B10R0.83 CSCCNC(=O)C(C)SC 11a_100020590264_100000149566 [0,2,0,0,0,0|1,0,0]=3 9408 B10R0.83 CSCCNC(=O)C(C)SC 1626a_100020590264_100000149566 [0,2,0,0,0,0|1,0,0]=3 9409 B10R0.83 CSCCNC(=O)C(C)SC 240690a_100020590264_100000149566 [0,2,0,0,0,0|1,0,0]=3 9410 B10R0.83 CSCCNC(=O)C(C)SC 527a_100020590264_100000149566 [0,2,0,0,0,0|1,0,0]=3 9411 B10R0.83 CSCCNC(=O)C(O)CO 240690a_100020590264_100011215603 [0,2,0,0,0,0|2,0,0]=4 9412 B10R0.83 C[C@H](CO)N(C)CCCCO 269982a_100000717598_100016084084 [0,2,0,0,0,0|2,0,0]=4 9413 B10R0.83 N#CCCCC(=O)C(O)CO 1458a_100011215603_100000211468 [0,2,0,0,0,0|1,0,1]=4 9414 B10R0.83 O=C(CCCCF)C(O)CO 1458a_100011215603_100000729493 [0,2,0,0,0,0|1,0,0]=3 9415 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [0,2,0,0,0,0|1,0,0]=3 9416 B10R0.83 O=C(NCCCF)C(O)CO 240690a_100015189416_100011215603 [0,2,0,0,0,0|2,0,0]=4 9417 B10R0.83 O=C(NCCCO)C(O)CO 240690a_100000182051_100011215603 [0,2,0,0,0,0|2,0,0]=4 9418 B10R0.85 CCCCC(CC)C(C)OC 34a_200011290779_200000210301 [0,2,0,0,0,0|1,0,1]=4 9419 B10R0.85 CCCCC(CC)C(C)OC 7a_200011290779_200000210301 [0,2,0,0,0,0|1,0,1]=4 9420 B10R0.85 CCCCC(CC)C(C)O[13CH3] 34a_200011290779_200025704644 [0,2,0,0,0,0|1,0,1]=4 9421 B10R0.85 CCCCC(CC)C(C)O[13CH3] 7a_200011290779_200025704644 [0,2,0,0,0,0|1,0,1]=4 9422 B10R0.85 CCCCN(CC)C(C)CC 2230a_100000207357_100000210202 [0,2,0,0,0,0|2,0,0]=4 9423 B10R0.85 CCCCN(CC)C(C)CC 2230a_100000207695_100000758301 [0,2,0,0,0,0|2,0,0]=4 9424 B10R0.85 CCCCN(CC)C(C)CC 2230a_100000732650_100000210211 [0,2,0,0,0,0|2,0,0]=4 9425 B10R0.85 CCCCN(CC)C(C)CC 269982a_100000207357_100000204670 [0,2,0,0,0,0|2,0,0]=4 9426 B10R0.85 CCCCN(CC)C(C)CC 269982a_100000207695_100000758301 [0,2,0,0,0,0|2,0,0]=4 9427 B10R0.85 CCCCN(CC)C(C)CC 269982a_100000732650_100000210211 [0,2,0,0,0,0|2,0,0]=4 9428 B10R0.85 CCCCN(CC)C(C)CO 2230a_100000207695_100012180447 [0,2,0,0,0,0|2,0,0]=4 9429 B10R0.85 CCCCN(CC)C(C)CO 2230a_100000731049_100000210211 [0,2,0,0,0,0|2,0,0]=4 9430 B10R0.85 CCCCN(CC)C(C)CO 269982a_100000731049_100000210211 [0,2,0,0,0,0|2,0,0]=4 9431 B10R0.85 CCCCN(CC)C(C)OC 269982a_100000207695_100009879195 [0,2,0,0,0,0|2,0,0]=4 9432 B10R0.85 CCCCN(CC)[C@H](C)CO 269982a_100000207695_100016084084 [0,2,0,0,0,0|2,0,0]=4 9433 B10R0.85 CCCCN(CF)C(C)CC 269982a_100000207357_100015361967 [0,2,0,0,0,0|2,0,0]=4 9434 B10R0.124 CCCCS(=O)(=O)N(C)CC 270084a_100000225621_100000212082 [0,2,0,0,0,0|2,0,0]=4 9435 B10R0.124 CCCCS(=O)(=O)N(C)CC 274078a_100000225621_100000212082 [0,2,0,0,0,0|2,0,0]=4 9436 B10R0.124 CCCCS(=O)(=O)N(C)CC 40a_100000225621_100000054263 [0,2,0,0,0,0|2,0,0]=4 9437 B10R0.124 CCCNS(=O)(=O)C(C)CC 270084a_100020643023_100000685195 [0,2,0,0,0,0|2,0,0]=4 9438 B10R0.124 CCCNS(=O)(=O)C(C)CC 274078a_100020643023_100000685195 [0,2,0,0,0,0|2,0,0]=4 9439 B10R0.17 CC(=O)N(CCCO)C(C)C 240690a_100000182298_100015343762 [0,2,0,0,0,0|2,0,0]=4 9440 B10R0.17 CC(=O)N(CCCO)C(C)C 527a_100000182298_100103153847 [0,2,0,0,0,0|2,0,0]=4 9441 B10R0.17 CCCCC(C(=O)N)N(C)C 2230a_100102631434_100000748834 [0,2,0,0,0,0|1,0,1]=4 9442 B10R0.17 CCCCC(C(=O)N)N(C)C 269982a_100102631434_100000748834 [0,2,0,0,0,0|1,0,1]=4 9443 B10R0.17 CCCCC(C(C)C)N(C)C 270004a_100102631434_200011215219 [0,2,0,0,0,0|1,0,1]=4 9444 B10R0.17 CCCCN(C(=O)C)C(C)C 11a_100000207398_100015343762 [0,2,0,0,0,0|1,0,0]=3 9445 B10R0.17 CCCCN(C(=O)C)C(C)C 1626a_100000207398_100015343762 [0,2,0,0,0,0|1,0,0]=3 9446 B10R0.17 CCCCN(C(=O)C)C(C)C 240690a_100000207398_100015343762 [0,2,0,0,0,0|1,0,0]=3 9447 B10R0.17 CCCCN(C(=O)C)C(C)C 527a_100000207398_100103153847 [0,2,0,0,0,0|1,0,0]=3 9448 B10R0.17 CCCCN(C(C)C)C(C)C 2230a_100000086832_100000210211 [0,2,0,0,0,0|2,0,0]=4 9449 B10R0.17 CCCCN(C(C)C)C(C)C 2230a_100000207398_100000210206 [0,2,0,0,0,0|2,0,0]=4 9450 B10R0.17 CCCCN(C(C)C)C(C)C 269982a_100000086832_100000210211 [0,2,0,0,0,0|2,0,0]=4 9451 B10R0.17 CCCCN(C(C)C)C(C)C 269982a_100000207398_100000210206 [0,2,0,0,0,0|2,0,0]=4 9452 B10R0.17 CCCCN(C(C)C)C(C)C 34a_100000086832_100000210210 [0,2,0,0,0,0|2,0,0]=4 9453 B10R0.17 CCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210207 [0,2,0,0,0,0|1,0,1]=4 9454 B10R0.17 CCCOC(C(=O)N)C(C)C 34a_100000210258_100000230017 [0,2,0,0,0,0|1,0,1]=4 9455 B10R0.17 CCCSC(C(=O)N)C(C)C 62a_100000210303_100000230017 [0,2,0,0,0,0|1,0,1]=4 9456 B10R0.17 CCCSC(C(=O)N)C(C)C 62a_100000230017_100000210303 [0,2,0,0,0,0|1,0,1]=4 9457 B10R0.17 COCCN(C(=O)C)C(C)C 11a_200000223778_100015343762 [0,2,0,0,0,0|2,0,0]=4 9458 B10R0.17 COCCN(C(=O)C)C(C)C 1626a_200000223778_100015343762 [0,2,0,0,0,0|2,0,0]=4 9459 B10R0.17 COCCN(C(=O)C)C(C)C 240690a_200000223778_100015343762 [0,2,0,0,0,0|2,0,0]=4 9460 B10R0.17 COCCN(C(=O)C)C(C)C 527a_200000223778_100103153847 [0,2,0,0,0,0|2,0,0]=4 9461 B10R0.53 CCC(C)CN(CC)C(C)C 2230a_100000223864_100000748023 [0,2,0,0,0,0|2,0,0]=4 9462 B10R0.53 CCC(C)CN(CC)C(C)C 269982a_100000223864_100000748023 [0,2,0,0,0,0|2,0,0]=4 9463 B10R0.53 CCC(C)CN(CC)C(C)C 270004a_100000223864_100000243153 [0,2,0,0,0,0|2,0,0]=4 9464 B10R0.53 CCC(O)CN(CC)C(C)C 2230a_100000223864_100011218378 [0,2,0,0,0,0|2,0,0]=4 9465 B10R0.53 CCC(O)CN(CC)C(C)C 2230a_100011365200_100000210206 [0,2,0,0,0,0|2,0,0]=4 9466 B10R0.53 CCC(O)CN(CC)C(C)C 269982a_100000223864_100011218378 [0,2,0,0,0,0|2,0,0]=4 9467 B10R0.53 CCC(O)CN(CC)C(C)C 269982a_100011365200_100000210206 [0,2,0,0,0,0|2,0,0]=4 9468 B10R0.53 CC[C@H](C)CN(CC)C(C)C 2230a_100000223864_100009816398 [0,2,0,0,0,0|2,0,0]=4 9469 B10R0.53 CC[C@H](C)CN(CC)C(C)C 269982a_100000223864_100009816398 [0,2,0,0,0,0|2,0,0]=4 9470 B10R0.86 C#CC(OCCCC)C(C)C 34a_100011217124_100000210210 [0,2,0,0,0,0|1,0,1]=4 9471 B10R0.86 C#CC(OCCCC)C(C)C 7a_100011217124_100000210211 [0,2,0,0,0,0|1,0,1]=4 9472 B10R0.86 C=CC(OCCCC)C(C)C 34a_100000732651_100000210210 [0,2,0,0,0,0|1,0,1]=4 9473 B10R0.86 C=CC(OCCCC)C(C)C 7a_100000732651_100000210211 [0,2,0,0,0,0|1,0,1]=4 9474 B10R0.86 CC(C)N(CF)CCCCO 269982a_100011521146_100015361967 [0,2,0,0,0,0|2,0,0]=4 9475 B10R0.86 CCCCCC(OC)C(C)C 34a_200011216997_200000210301 [0,2,0,0,0,0|0,0,2]=4 9476 B10R0.86 CCCCCC(OC)C(C)C 7a_200011216997_200000210301 [0,2,0,0,0,0|0,0,2]=4 9477 B10R0.86 CCCCCC(O[13CH3])C(C)C 34a_200011216997_200025704644 [0,2,0,0,0,0|0,0,2]=4 9478 B10R0.86 CCCCCC(O[13CH3])C(C)C 7a_200011216997_200025704644 [0,2,0,0,0,0|0,0,2]=4 9479 B10R0.86 CCCCCN(CC)C(C)C 2230a_100000223497_100000210202 [0,2,0,0,0,0|2,0,0]=4 9480 B10R0.86 CCCCCN(CC)C(C)C 2230a_100000223864_100000210326 [0,2,0,0,0,0|2,0,0]=4 9481 B10R0.86 CCCCCN(CC)C(C)C 269982a_100000223497_100000204670 [0,2,0,0,0,0|2,0,0]=4 9482 B10R0.86 CCCCCN(CC)C(C)C 269982a_100000223864_100000210215 [0,2,0,0,0,0|2,0,0]=4 9483 B10R0.86 CCCCCN(CF)C(C)C 269982a_100000223497_100015361967 [0,2,0,0,0,0|2,0,0]=4 9484 B10R0.86 CCCCNC(CC)C(C)C 270004a_100000102301_100000210600 [0,2,0,0,0,0|1,0,1]=4 9485 B10R0.86 CCCCN[C@@H](CO)C(C)C 2230a_100011830312_100000210211 [0,2,0,0,0,0|0,0,2]=4 9486 B10R0.86 CCCCN[C@@H](CO)C(C)C 34a_100011830312_100000210210 [0,2,0,0,0,0|0,0,2]=4 9487 B10R0.86 CCCCOC(C#N)C(C)C 34a_100000748901_100000210210 [0,2,0,0,0,0|1,0,1]=4 9488 B10R0.86 CCCCOC(C#N)C(C)C 7a_100000748901_100000210211 [0,2,0,0,0,0|1,0,1]=4 9489 B10R0.86 CCCCOC(CC)C(C)C 34a_100011218073_100000210210 [0,2,0,0,0,0|1,0,1]=4 9490 B10R0.86 CCCCOC(CC)C(C)C 7a_100011218073_100000210211 [0,2,0,0,0,0|1,0,1]=4 9491 B10R0.86 CCCCOC(CN)C(C)C 34a_100000759067_100000210210 [0,2,0,0,0,0|1,0,1]=4 9492 B10R0.86 CCCNCC(CC)C(C)C 269862a_100020643023_100011214906 [0,2,0,0,0,0|1,0,1]=4 9493 B10R0.86 CCCNCC(CO)C(C)C 34a_100000692819_100000210303 [0,2,0,0,0,0|0,0,2]=4 9494 B10R0.86 CCCNN=C(CC)C(C)C 4a_100000740057_100000210600 [0,2,0,0,0,0|2,0,0]=4 9495 B10R0.86 CCCOCC(CC)C(C)C 34a_100011995916_100000210303 [0,2,0,0,0,0|1,0,1]=4 9496 B10R0.86 CCCOCC(CC)C(C)C 7a_100011995916_100000210303 [0,2,0,0,0,0|1,0,1]=4 9497 B10R0.86 CCCOCC(CN)C(C)C 34a_100000692819_100000210303 [0,2,0,0,0,0|1,0,1]=4 9498 B10R0.86 CCN(CCCCF)C(C)C 2230a_100000223864_100000729493 [0,2,0,0,0,0|2,0,0]=4 9499 B10R0.86 CCN(CCCCF)C(C)C 269982a_100000223864_100000729493 [0,2,0,0,0,0|2,0,0]=4 9500 B10R0.86 CCN(CCCCO)C(C)C 2230a_100000223864_100000210776 [0,2,0,0,0,0|2,0,0]=4 9501 B10R0.86 CCN(CCCCO)C(C)C 2230a_100011217355_100000210206 [0,2,0,0,0,0|2,0,0]=4 9502 B10R0.86 CCN(CCCCO)C(C)C 2230a_100011521146_100000210202 [0,2,0,0,0,0|2,0,0]=4 9503 B10R0.86 CCN(CCCCO)C(C)C 269982a_100000223864_100000210776 [0,2,0,0,0,0|2,0,0]=4 9504 B10R0.86 CCN(CCCCO)C(C)C 269982a_100011217355_100000210206 [0,2,0,0,0,0|2,0,0]=4 9505 B10R0.86 CCN(CCCCO)C(C)C 269982a_100011521146_100000204670 [0,2,0,0,0,0|2,0,0]=4 9506 B10R0.86 CCN(CCCOC)C(C)C 2230a_100000223864_100000740836 [0,2,0,0,0,0|2,0,0]=4 9507 B10R0.86 CCN(CCCOC)C(C)C 269982a_100000223864_100000740836 [0,2,0,0,0,0|2,0,0]=4 9508 B10R0.86 CCOCCN(CC)C(C)C 2230a_100000223864_100011215890 [0,2,0,0,0,0|2,0,0]=4 9509 B10R0.86 CCOCCN(CC)C(C)C 269982a_100000223864_100011215890 [0,2,0,0,0,0|2,0,0]=4 9510 B10R0.86 CCSCCN(CC)C(C)C 2230a_100000223864_100000757381 [0,2,0,0,0,0|2,0,0]=4 9511 B10R0.86 CCSCCN(CC)C(C)C 269982a_100000223864_100000757381 [0,2,0,0,0,0|2,0,0]=4 9512 B10R0.88 C#CCN(CCCC)C(C)C 2230a_100000207398_100000038162 [0,2,0,0,0,0|2,0,0]=4 9513 B10R0.88 C=CCN(CCCC)C(C)C 2230a_100000207398_100000210623 [0,2,0,0,0,0|2,0,0]=4 9514 B10R0.88 C=CCN(CCCC)C(C)C 2230a_100000742772_100000210211 [0,2,0,0,0,0|2,0,0]=4 9515 B10R0.88 C=CCN(CCCC)C(C)C 269982a_100000207398_100000210623 [0,2,0,0,0,0|2,0,0]=4 9516 B10R0.88 C=CCN(CCCC)C(C)C 269982a_100000742772_100000210211 [0,2,0,0,0,0|2,0,0]=4 9517 B10R0.88 CC(C)N(CC=O)CCCO 2230a_100000182298_200015260668 [0,2,0,0,0,0|2,0,0]=4 9518 B10R0.88 CC(C)N(CC=O)CCCO 269982a_100000182298_200015260668 [0,2,0,0,0,0|2,0,0]=4 9519 B10R0.88 CCCCC(NCC)C(C)C 270004a_100015525214_200011215219 [0,2,0,0,0,0|1,0,1]=4 9520 B10R0.88 CCCCN(CC#N)C(C)C 2230a_100000207398_100011215382 [0,2,0,0,0,0|2,0,0]=4 9521 B10R0.88 CCCCN(CC#N)C(C)C 2230a_200011192266_100000210206 [0,2,0,0,0,0|2,0,0]=4 9522 B10R0.88 CCCCN(CC#N)C(C)C 269982a_100000207398_100011214920 [0,2,0,0,0,0|2,0,0]=4 9523 B10R0.88 CCCCN(CC=O)C(C)C 2230a_100000207398_200015260668 [0,2,0,0,0,0|1,0,0]=3 9524 B10R0.88 CCCCN(CC=O)C(C)C 269982a_100000207398_200015260668 [0,2,0,0,0,0|1,0,0]=3 9525 B10R0.88 CCCCN(CCC)C(C)C 2230a_100000207398_100000210303 [0,2,0,0,0,0|2,0,0]=4 9526 B10R0.88 CCCCN(CCC)C(C)C 2230a_106256033942_100000210211 [0,2,0,0,0,0|2,0,0]=4 9527 B10R0.88 CCCCN(CCC)C(C)C 2230a_200000207744_100000210206 [0,2,0,0,0,0|2,0,0]=4 9528 B10R0.88 CCCCN(CCC)C(C)C 269982a_100000207398_100000210303 [0,2,0,0,0,0|2,0,0]=4 9529 B10R0.88 CCCCN(CCC)C(C)C 269982a_106256033942_100000210211 [0,2,0,0,0,0|2,0,0]=4 9530 B10R0.88 CCCCN(CCC)C(C)C 269982a_200000207744_100000210206 [0,2,0,0,0,0|2,0,0]=4 9531 B10R0.88 CCCCN(CCF)C(C)C 2230a_100000207398_100011217306 [0,2,0,0,0,0|2,0,0]=4 9532 B10R0.88 CCCCN(CCF)C(C)C 269982a_100000207398_100011217306 [0,2,0,0,0,0|2,0,0]=4 9533 B10R0.88 CCCCN(CCO)C(C)C 2230a_100000198060_100000210206 [0,2,0,0,0,0|1,0,1]=4 9534 B10R0.88 CCCCN(CCO)C(C)C 2230a_100000207398_100000211926 [0,2,0,0,0,0|1,0,1]=4 9535 B10R0.88 CCCCN(CCO)C(C)C 2230a_100000224655_100000210211 [0,2,0,0,0,0|1,0,1]=4 9536 B10R0.88 CCCCN(CCO)C(C)C 269982a_100000198060_100000210206 [0,2,0,0,0,0|1,0,1]=4 9537 B10R0.88 CCCCN(CCO)C(C)C 269982a_100000207398_100000211926 [0,2,0,0,0,0|1,0,1]=4 9538 B10R0.88 CCCCN(CCO)C(C)C 269982a_100000224655_100000210211 [0,2,0,0,0,0|1,0,1]=4 9539 B10R0.88 CCCCN(COC)C(C)C 2230a_100000207398_100000766300 [0,2,0,0,0,0|1,0,1]=4 9540 B10R0.88 CCCCN(COC)C(C)C 269982a_100000207398_100000766300 [0,2,0,0,0,0|1,0,1]=4 9541 B10R0.88 CCCCN(CSC)C(C)C 2230a_100000207398_100011218213 [0,2,0,0,0,0|1,1,0]=4 9542 B10R0.88 CCCCN(CSC)C(C)C 269982a_100000207398_100011218213 [0,2,0,0,0,0|1,1,0]=4 9543 B10R0.88 COCCN(CC=O)C(C)C 2230a_200000223778_200015260668 [0,2,0,0,0,0|2,0,0]=4 9544 B10R0.88 COCCN(CC=O)C(C)C 269982a_200000223778_200015260668 [0,2,0,0,0,0|2,0,0]=4 9545 B10R0.133 CCCCC(C)(OC)C(C)C 7a_200011215085_200000210301 [0,2,0,0,0,0|0,0,2]=4 9546 B10R0.133 CCCCC(C)(O[13CH3])C(C)C 7a_200011215085_200025704644 [0,2,0,0,0,0|0,0,2]=4 9547 B10R0.26 C#CCC(=O)CC(=O)C(C)C 1458a_100011220946_100000753385 [0,2,0,0,0,0|0,0,2]=4 9548 B10R0.26 C#CCN(C)CC(=O)C(C)C 2230a_100000225692_100000753385 [0,2,0,0,0,0|0,0,2]=4 9549 B10R0.26 C#CCN(C)CC(=O)C(C)C 34a_100000225692_100000753385 [0,2,0,0,0,0|0,0,2]=4 9550 B10R0.26 C=C(C)C(=O)CC(=O)CCC 1458a_100000185857_100000747444 [0,2,0,0,0,0|0,0,2]=4 9551 B10R0.26 C=C(C)C(=O)CC(C)CCC 1458a_100000185857_100011216630 [0,2,0,0,0,0|0,0,2]=4 9552 B10R0.26 C=C(C)C(=O)NC(C)CCC 11a_100000741246_100000185857 [0,2,0,0,0,0|0,0,2]=4 9553 B10R0.26 C=C(C)C(=O)NC(C)CCC 1626a_100000741246_100000185857 [0,2,0,0,0,0|0,0,2]=4 9554 B10R0.26 C=C(CCC)CC(=O)C(C)C 1458a_100000138376_100000210206 [0,2,0,0,0,0|0,0,0]=2 9555 B10R0.26 C=C(CCC)CC(=O)N(C)C 11a_100102631434_100000138376 [0,2,0,0,0,0|1,0,0]=3 9556 B10R0.26 C=C(CCC)CC(=O)N(C)C 240690a_100102631434_100000138376 [0,2,0,0,0,0|1,0,0]=3 9557 B10R0.26 C=C(CCC)CC(=O)N(C)C 527a_100102631434_100000138376 [0,2,0,0,0,0|1,0,0]=3 9558 B10R0.26 C=CCC(=O)CC(=O)C(C)C 1458a_100000210193_100000753385 [0,2,0,0,0,0|0,0,2]=4 9559 B10R0.26 C=CCN(C)CC(=O)C(C)C 2230a_100000225617_100000753385 [0,2,0,0,0,0|0,0,2]=4 9560 B10R0.26 C=CCN(C)CC(=O)C(C)C 269982a_100000225617_100000753385 [0,2,0,0,0,0|0,0,2]=4 9561 B10R0.26 CC#CC(=O)CC(=O)C(C)C 1458a_100000763181_100000753385 [0,2,0,0,0,0|0,0,2]=4 9562 B10R0.26 CC(C)C(=O)CC(=O)CC#N 1458a_100051588842_100000753385 [0,2,0,0,0,0|0,0,2]=4 9563 B10R0.26 CC(C)C(=O)CC(=O)CCO 1458a_100011216618_100000753385 [0,2,0,0,0,0|0,0,1]=3 9564 B10R0.26 CC(C)C(=O)CC(=O)NCO 1458a_100000210198_100000185155 [0,2,0,0,0,0|1,0,1]=4 9565 B10R0.26 CC(C)C(=O)CN(C)CC#N 2230a_100000748184_100000753385 [0,2,0,0,0,0|1,0,1]=4 9566 B10R0.26 CC(C)C(=O)CN(C)CCO 2230a_100000210263_100000753385 [0,2,0,0,0,0|1,0,0]=3 9567 B10R0.26 CC(C)C(=O)CN(C)CCO 269982a_100000210263_100000753385 [0,2,0,0,0,0|1,0,0]=3 9568 B10R0.26 CC(C)C(=O)N[C@@H](C)CC#N 11a_100016994482_100000210198 [0,2,0,0,0,0|1,0,1]=4 9569 B10R0.26 CC(C)C(=O)N[C@@H](C)CC#N 1626a_100016994482_100000210198 [0,2,0,0,0,0|1,0,1]=4 9570 B10R0.26 CC(C)C(=O)N[C@@H](C)CC#N 240690a_100016994482_100000210198 [0,2,0,0,0,0|1,0,1]=4 9571 B10R0.26 CC(C)C(=O)N[C@@H](C)CC#N 527a_100016994482_100000210198 [0,2,0,0,0,0|1,0,1]=4 9572 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 240690a_100000706166_100000210198 [0,2,0,0,0,0|1,0,0]=3 9573 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 527a_100000706166_100000210198 [0,2,0,0,0,0|1,0,0]=3 9574 B10R0.26 CC(F)C(=O)N[C@H](C)CCO 240690a_100000706166_100000062450 [0,2,0,0,0,0|2,0,0]=4 9575 B10R0.26 CC(F)C(=O)N[C@H](C)CCO 527a_100000706166_100000062450 [0,2,0,0,0,0|2,0,0]=4 9576 B10R0.26 CC=CC(=O)CC(=O)C(C)C 1458a_100000210699_100000753385 [0,2,0,0,0,0|0,0,2]=4 9577 B10R0.26 CCCC(=CC(=O)C(C)C)C 1458a_100020676950_100000210206 [0,2,0,0,0,0|0,0,1]=3 9578 B10R0.26 CCCC(=CC(=O)N(C)C)C 11a_100102631434_100020676950 [0,2,0,0,0,0|1,0,1]=4 9579 B10R0.26 CCCC(=CC(=O)N(C)C)C 1626a_100102631434_100020676950 [0,2,0,0,0,0|1,0,1]=4 9580 B10R0.26 CCCC(=CC(=O)N(C)C)C 240690a_100102631434_100020676950 [0,2,0,0,0,0|1,0,1]=4 9581 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,2,0,0,0,0|1,0,1]=4 9582 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [0,2,0,0,0,0|0,0,0]=2 9583 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [0,2,0,0,0,0|0,0,0]=2 9584 B10R0.26 CCCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747444 [0,2,0,0,0,0|1,0,0]=3 9585 B10R0.26 CCCC(=O)CC(=O)C(O)O 1458a_100000233687_100000747444 [0,2,0,0,0,0|2,0,0]=4 9586 B10R0.26 CCCC(=O)CC(=O)N(C)C 1458a_100000211992_100000185267 [0,2,0,0,0,0|1,0,0]=3 9587 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,2,0,0,0,0|1,0,0]=3 9588 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,2,0,0,0,0|1,0,0]=3 9589 B10R0.26 CCCC(=O)CN(C)C(C)C 1458a_100000743827_100000210303 [0,2,0,0,0,0|2,0,0]=4 9590 B10R0.26 CCCC(=O)CN(C)C(C)C 269982a_200000211004_100000747444 [0,2,0,0,0,0|2,0,0]=4 9591 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000210198_100011216630 [0,2,0,0,0,0|0,0,0]=2 9592 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000748435_100000210206 [0,2,0,0,0,0|0,0,0]=2 9593 B10R0.26 CCCC(C)CC(=O)C(C)F 1458a_100000062450_100011216630 [0,2,0,0,0,0|1,0,0]=3 9594 B10R0.26 CCCC(C)CC(=O)C(O)O 1458a_100000233687_100011216630 [0,2,0,0,0,0|2,0,0]=4 9595 B10R0.26 CCCC(C)CC(=O)N(C)C 11a_100102631434_100000748435 [0,2,0,0,0,0|1,0,0]=3 9596 B10R0.26 CCCC(C)CC(=O)N(C)C 1626a_100102631434_100000748435 [0,2,0,0,0,0|1,0,0]=3 9597 B10R0.26 CCCC(C)CC(=O)N(C)C 240690a_100102631434_100000748435 [0,2,0,0,0,0|1,0,0]=3 9598 B10R0.26 CCCC(C)CC(=O)N(C)C 527a_100102631434_100000748435 [0,2,0,0,0,0|1,0,0]=3 9599 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [0,2,0,0,0,0|1,0,0]=3 9600 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [0,2,0,0,0,0|1,0,0]=3 9601 B10R0.26 CCCC(C)CN(C)C(C)C 269982a_200000211004_100011216630 [0,2,0,0,0,0|2,0,0]=4 9602 B10R0.26 CCCC(C)CN(C)C(C)C 270004a_200000211004_100000243154 [0,2,0,0,0,0|2,0,0]=4 9603 B10R0.26 CCCC(C)NC(=O)C(C)C 11a_100000741246_100000210198 [0,2,0,0,0,0|0,0,0]=2 9604 B10R0.26 CCCC(C)NC(=O)C(C)C 1626a_100000741246_100000210198 [0,2,0,0,0,0|0,0,0]=2 9605 B10R0.26 CCCC(C)NC(=O)C(C)C 240690a_100000741246_100000210198 [0,2,0,0,0,0|0,0,0]=2 9606 B10R0.26 CCCC(C)NC(=O)C(C)C 527a_100000741246_100000210198 [0,2,0,0,0,0|0,0,0]=2 9607 B10R0.26 CCCC(C)NC(=O)C(C)F 11a_100000741246_100000062450 [0,2,0,0,0,0|1,0,0]=3 9608 B10R0.26 CCCC(C)NC(=O)C(C)F 1626a_100000741246_100000062450 [0,2,0,0,0,0|1,0,0]=3 9609 B10R0.26 CCCC(C)NC(=O)C(C)F 240690a_100000741246_100000062450 [0,2,0,0,0,0|1,0,0]=3 9610 B10R0.26 CCCC(C)NC(=O)C(C)F 527a_100000741246_100000062450 [0,2,0,0,0,0|1,0,0]=3 9611 B10R0.26 CCCC(C)NC(=O)C(F)F 11a_100000741246_100000210393 [0,2,0,0,0,0|2,0,0]=4 9612 B10R0.26 CCCC(C)NC(=O)C(F)F 1626a_100000741246_100000210393 [0,2,0,0,0,0|2,0,0]=4 9613 B10R0.26 CCCC(C)NC(=O)C(F)F 240690a_100000741246_100000210393 [0,2,0,0,0,0|2,0,0]=4 9614 B10R0.26 CCCC(C)NC(=O)C(F)F 527a_100000741246_100000210393 [0,2,0,0,0,0|2,0,0]=4 9615 B10R0.26 CCCC(C)NC(=O)C(O)O 240690a_100000741246_100000233687 [0,2,0,0,0,0|2,0,0]=4 9616 B10R0.26 CCCC(C)NC(=O)N(C)C 2708a_100000741246_100102631434 [0,2,0,0,0,0|1,0,0]=3 9617 B10R0.26 CCCC(C)NC(=O)[C@@H](C)O 240690a_100000741246_100000717761 [0,2,0,0,0,0|1,0,0]=3 9618 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 1626a_100000741246_217856618621 [0,2,0,0,0,0|1,0,0]=3 9619 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 240690a_100000741246_217856618621 [0,2,0,0,0,0|1,0,0]=3 9620 B10R0.26 CCCC(C)NC(C)C(C)C 2230a_100000211541_100000766640 [0,2,0,0,0,0|1,0,1]=4 9621 B10R0.26 CCCC(C)NC(C)C(C)C 270004a_100000211541_100000211909 [0,2,0,0,0,0|1,0,1]=4 9622 B10R0.26 CCCC(C)OC(C)C(C)C 7a_100000748068_100000766640 [0,2,0,0,0,0|1,0,1]=4 9623 B10R0.26 CCCN(C)CC(=O)C(=O)C 269982a_100000747261_100011261029 [0,2,0,0,0,0|1,0,1]=4 9624 B10R0.26 CCCN(C)CC(=O)C(C)C 2230a_100000747261_100000753385 [0,2,0,0,0,0|0,0,0]=2 9625 B10R0.26 CCCN(C)CC(=O)C(C)C 269982a_100000747261_100000753385 [0,2,0,0,0,0|0,0,0]=2 9626 B10R0.26 CCCN(C)CC(=O)N(C)C 2230a_100000185065_100000210303 [0,2,0,0,0,0|1,0,0]=3 9627 B10R0.26 CCCN(C)CC(=O)N(C)C 2230a_100000213585_200000210301 [0,2,0,0,0,0|1,0,0]=3 9628 B10R0.26 CCCN(C)CC(=O)N(C)C 2230a_100000747261_100000185267 [0,2,0,0,0,0|1,0,0]=3 9629 B10R0.26 CCCN(C)CC(=O)N(C)C 269982a_100000747261_100000185267 [0,2,0,0,0,0|1,0,0]=3 9630 B10R0.26 CCCN([13CH3])CC(=O)N(C)C 2230a_100000213585_200025704644 [0,2,0,0,0,0|1,0,0]=3 9631 B10R0.26 CCCS(=O)CC(=O)C(C)C 1458a_100011387404_100000210206 [0,2,0,0,0,0|0,0,0]=2 9632 B10R0.26 CCCS(=O)CC(=O)N(C)C 11a_100102631434_100011387404 [0,2,0,0,0,0|1,0,0]=3 9633 B10R0.26 CCCS(=O)CC(=O)N(C)C 1626a_100102631434_100011387404 [0,2,0,0,0,0|1,0,0]=3 9634 B10R0.26 CCCS(=O)CC(=O)N(C)C 240690a_100102631434_100011387404 [0,2,0,0,0,0|1,0,0]=3 9635 B10R0.26 CCCS(=O)CC(=O)N(C)C 527a_100102631434_100011387404 [0,2,0,0,0,0|1,0,0]=3 9636 B10R0.26 CCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183381 [0,2,0,0,0,0|0,0,1]=3 9637 B10R0.26 CCNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183381 [0,2,0,0,0,0|1,0,1]=4 9638 B10R0.26 CCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183381 [0,2,0,0,0,0|1,0,1]=4 9639 B10R0.26 CCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183381 [0,2,0,0,0,0|1,0,1]=4 9640 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [0,2,0,0,0,0|0,0,1]=3 9641 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [0,2,0,0,0,0|0,0,1]=3 9642 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [0,2,0,0,0,0|1,0,1]=4 9643 B10R0.26 CCOC(=O)CC(=O)N(C)C 240690a_100102631434_100000243816 [0,2,0,0,0,0|1,0,1]=4 9644 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [0,2,0,0,0,0|1,0,1]=4 9645 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [0,2,0,0,0,0|1,0,1]=4 9646 B10R0.26 CCSC(C)CC(=O)C(C)C 1458a_200011311441_100000210206 [0,2,0,0,0,0|0,0,0]=2 9647 B10R0.26 CCSC(C)CC(=O)N(C)C 11a_100102631434_200011311441 [0,2,0,0,0,0|1,0,0]=3 9648 B10R0.26 CCSC(C)CC(=O)N(C)C 1626a_100102631434_200011311441 [0,2,0,0,0,0|1,0,0]=3 9649 B10R0.26 CCSC(C)CC(=O)N(C)C 240690a_100102631434_200011311441 [0,2,0,0,0,0|1,0,0]=3 9650 B10R0.26 CCSC(C)CC(=O)N(C)C 527a_100102631434_200011311441 [0,2,0,0,0,0|1,0,0]=3 9651 B10R0.26 CN(C)C(=O)CC(=O)CCO 1458a_100011216618_100000185267 [0,2,0,0,0,0|1,0,1]=4 9652 B10R0.26 CN(CCF)CC(=O)N(C)C 2230a_100000185065_100011217306 [0,2,0,0,0,0|2,0,0]=4 9653 B10R0.26 CN(CCO)CC(=O)N(C)C 2230a_100000185065_100000211926 [0,2,0,0,0,0|2,0,0]=4 9654 B10R0.26 CN(CCO)CC(=O)N(C)C 2230a_100000210263_100000185267 [0,2,0,0,0,0|2,0,0]=4 9655 B10R0.26 CN(CCO)CC(=O)N(C)C 269982a_100000210263_100000185267 [0,2,0,0,0,0|2,0,0]=4 9656 B10R0.26 COCC(=O)CC(=O)C(C)C 1458a_100000210968_100000753385 [0,2,0,0,0,0|0,0,1]=3 9657 B10R0.26 COCC(=O)CC(=O)N(C)C 1458a_100000210968_100000185267 [0,2,0,0,0,0|1,0,1]=4 9658 B10R0.26 COCC(O)CN(C)C(C)C 2230a_100000739405_100000210206 [0,2,0,0,0,0|2,0,0]=4 9659 B10R0.26 COCC(O)CN(C)C(C)C 269982a_100000739405_100000210206 [0,2,0,0,0,0|2,0,0]=4 9660 B10R0.26 COCN(C)CC(=O)N(C)C 2230a_100000185065_100000766300 [0,2,0,0,0,0|2,0,0]=4 9661 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 11a_100000764878_100000210198 [0,2,0,0,0,0|1,0,0]=3 9662 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 1626a_100000764878_100000210198 [0,2,0,0,0,0|1,0,0]=3 9663 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 240690a_100000764878_100000210198 [0,2,0,0,0,0|1,0,0]=3 9664 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 527a_100000764878_100000210198 [0,2,0,0,0,0|1,0,0]=3 9665 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 11a_100000764878_100000062450 [0,2,0,0,0,0|2,0,0]=4 9666 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 1626a_100000764878_100000062450 [0,2,0,0,0,0|2,0,0]=4 9667 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 240690a_100000764878_100000062450 [0,2,0,0,0,0|2,0,0]=4 9668 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 527a_100000764878_100000062450 [0,2,0,0,0,0|2,0,0]=4 9669 B10R0.26 COC[C@@H](C)NC(=O)N(C)C 2708a_100000764878_100102631434 [0,2,0,0,0,0|2,0,0]=4 9670 B10R0.26 COC[C@@H](C)NC(=O)[C@@H](C)O 240690a_100000764878_100000717761 [0,2,0,0,0,0|2,0,0]=4 9671 B10R0.26 COC[C@@H](C)NC(=O)[C@H](C)O 1626a_100000764878_217856618621 [0,2,0,0,0,0|2,0,0]=4 9672 B10R0.26 COC[C@@H](C)NC(=O)[C@H](C)O 240690a_100000764878_217856618621 [0,2,0,0,0,0|2,0,0]=4 9673 B10R0.26 CSCC(=O)CC(=O)C(C)C 1458a_100000184570_100000753385 [0,2,0,0,0,0|0,0,1]=3 9674 B10R0.26 CSCC(=O)CC(=O)N(C)C 1458a_100000184570_100000185267 [0,2,0,0,0,0|1,0,1]=4 9675 B10R0.26 CSCN(C)CC(=O)N(C)C 2230a_100000185065_100011218213 [0,2,0,0,0,0|2,0,0]=4 9676 B10R0.26 C[C@H](CCO)NC(=O)[C@@H](C)O 240690a_100000706166_100000717761 [0,2,0,0,0,0|2,0,0]=4 9677 B10R0.26 C[C@H](CCO)NC(=O)[C@H](C)O 240690a_100000706166_217856618621 [0,2,0,0,0,0|2,0,0]=4 9678 B10R0.47 CCC(C)NS(=O)(=O)C(C)C 270084a_100000209981_100000742656 [0,2,0,0,0,0|2,0,0]=4 9679 B10R0.47 CCC(C)NS(=O)(=O)C(C)C 274078a_100000209981_100000742656 [0,2,0,0,0,0|2,0,0]=4 9680 B10R0.67 CC(C)C(=O)NC(C)(C)CO 240690a_100000210608_100000210198 [0,2,0,0,0,0|2,0,0]=4 9681 B10R0.67 CC(C)C(=O)NC(C)(C)CO 527a_100020618417_100000210198 [0,2,0,0,0,0|2,0,0]=4 9682 B10R0.67 CCC(C)(C)CC(=O)C(C)C 1458a_200000763500_100000210206 [0,2,0,0,0,0|0,0,0]=2 9683 B10R0.67 CCC(C)(C)CC(=O)N(C)C 11a_100102631434_200000763500 [0,2,0,0,0,0|1,0,0]=3 9684 B10R0.67 CCC(C)(C)CC(=O)N(C)C 1626a_100102631434_200000763500 [0,2,0,0,0,0|1,0,0]=3 9685 B10R0.67 CCC(C)(C)CC(=O)N(C)C 240690a_100102631434_200000763500 [0,2,0,0,0,0|1,0,0]=3 9686 B10R0.67 CCC(C)(C)CC(=O)N(C)C 527a_100102631434_200000763500 [0,2,0,0,0,0|1,0,0]=3 9687 B10R0.67 CCC(C)(C)NC(=O)C(C)C 11a_100000211385_100000210198 [0,2,0,0,0,0|1,0,0]=3 9688 B10R0.67 CCC(C)(C)NC(=O)C(C)C 1626a_100000211385_100000210198 [0,2,0,0,0,0|1,0,0]=3 9689 B10R0.67 CCC(C)(C)NC(=O)C(C)C 240690a_100000211385_100000210198 [0,2,0,0,0,0|1,0,0]=3 9690 B10R0.67 CCC(C)(C)NC(=O)C(C)C 527a_100000211385_100000210198 [0,2,0,0,0,0|1,0,0]=3 9691 B10R0.67 CCC(C)(C)NC(=O)C(C)F 11a_100000211385_100000062450 [0,2,0,0,0,0|2,0,0]=4 9692 B10R0.67 CCC(C)(C)NC(=O)C(C)F 1626a_100000211385_100000062450 [0,2,0,0,0,0|2,0,0]=4 9693 B10R0.67 CCC(C)(C)NC(=O)C(C)F 240690a_100000211385_100000062450 [0,2,0,0,0,0|2,0,0]=4 9694 B10R0.67 CCC(C)(C)NC(=O)C(C)F 527a_100000211385_100000062450 [0,2,0,0,0,0|2,0,0]=4 9695 B10R0.67 CCC(C)(C)NC(=O)[C@@H](C)O 240690a_100000211385_100000717761 [0,2,0,0,0,0|2,0,0]=4 9696 B10R0.67 CCC(C)(C)NC(=O)[C@H](C)O 1626a_100000211385_217856618621 [0,2,0,0,0,0|2,0,0]=4 9697 B10R0.67 CCC(C)(C)NC(=O)[C@H](C)O 240690a_100000211385_217856618621 [0,2,0,0,0,0|2,0,0]=4 9698 B10R0.67 CCC(C)(O)CC(=O)C(C)C 1458a_200011219800_100000210206 [0,2,0,0,0,0|0,0,0]=2 9699 B10R0.67 CCC(C)(O)CC(=O)N(C)C 240690a_100102631434_200011219800 [0,2,0,0,0,0|1,0,0]=3 9700 B10R0.67 CCC(C)(O)CC(=O)N(C)C 527a_100102631434_200011219800 [0,2,0,0,0,0|1,0,0]=3 9701 B10R0.67 CCS(=O)(=O)CC(=O)C(C)C 1458a_100000744335_100000210206 [0,2,0,0,0,0|1,0,0]=3 9702 B10R0.67 CCS(=O)(=O)CC(=O)N(C)C 11a_100102631434_100000744335 [0,2,0,0,0,0|2,0,0]=4 9703 B10R0.67 CCS(=O)(=O)CC(=O)N(C)C 1626a_100102631434_100000744335 [0,2,0,0,0,0|2,0,0]=4 9704 B10R0.67 CCS(=O)(=O)CC(=O)N(C)C 240690a_100102631434_100000744335 [0,2,0,0,0,0|2,0,0]=4 9705 B10R0.67 CCS(=O)(=O)CC(=O)N(C)C 527a_100102631434_100000744335 [0,2,0,0,0,0|2,0,0]=4 9706 B10R0.67 CCS(=O)(=O)NC(=O)C(C)C 2740a_100000171174_100000210198 [0,2,0,0,0,0|2,0,0]=4 9707 B10R0.72 C=C(C)C(=O)CC(CC)CC 1458a_100000185857_100011215472 [0,2,0,0,0,0|0,0,2]=4 9708 B10R0.72 C=C[C@@H](CO)NC(=O)C(C)C 240690a_100016989147_100000210198 [0,2,0,0,0,0|2,0,0]=4 9709 B10R0.72 C=C[C@@H](CO)NC(=O)C(C)C 527a_100016989147_100000210198 [0,2,0,0,0,0|2,0,0]=4 9710 B10R0.72 CC(C)C(=O)NC(CO)CO 240690a_100000759517_100000210198 [0,2,0,0,0,0|2,0,0]=4 9711 B10R0.72 CC(C)C(=O)NC(CO)CO 527a_100000759517_100000210198 [0,2,0,0,0,0|2,0,0]=4 9712 B10R0.72 CCC(CC)CC(=O)C(C)C 1458a_100000210198_100011215472 [0,2,0,0,0,0|0,0,0]=2 9713 B10R0.72 CCC(CC)CC(=O)C(C)F 1458a_100000062450_100011215472 [0,2,0,0,0,0|1,0,0]=3 9714 B10R0.72 CCC(CC)CC(=O)C(O)O 1458a_100000233687_100011215472 [0,2,0,0,0,0|2,0,0]=4 9715 B10R0.72 CCC(CC)CC(=O)[C@@H](C)O 1458a_100000717761_100011215472 [0,2,0,0,0,0|1,0,0]=3 9716 B10R0.72 CCC(CC)CC(=O)[C@H](C)O 1458a_217856618621_100011215472 [0,2,0,0,0,0|1,0,0]=3 9717 B10R0.72 CCC(CC)CN(C)C(C)C 269982a_200000211004_100011215472 [0,2,0,0,0,0|2,0,0]=4 9718 B10R0.72 CCC(CC)CN(C)C(C)C 270004a_200000211004_100000211137 [0,2,0,0,0,0|2,0,0]=4 9719 B10R0.72 CCC(CC)NC(=O)C(C)C 11a_100000199018_100000210198 [0,2,0,0,0,0|1,0,0]=3 9720 B10R0.72 CCC(CC)NC(=O)C(C)C 1626a_100000199018_100000210198 [0,2,0,0,0,0|1,0,0]=3 9721 B10R0.72 CCC(CC)NC(=O)C(C)C 240690a_100000199018_100000210198 [0,2,0,0,0,0|1,0,0]=3 9722 B10R0.72 CCC(CC)NC(=O)C(C)C 527a_100000199018_100000210198 [0,2,0,0,0,0|1,0,0]=3 9723 B10R0.72 CCC(CC)NC(=O)C(C)F 11a_100000199018_100000062450 [0,2,0,0,0,0|2,0,0]=4 9724 B10R0.72 CCC(CC)NC(=O)C(C)F 1626a_100000199018_100000062450 [0,2,0,0,0,0|2,0,0]=4 9725 B10R0.72 CCC(CC)NC(=O)C(C)F 240690a_100000199018_100000062450 [0,2,0,0,0,0|2,0,0]=4 9726 B10R0.72 CCC(CC)NC(=O)C(C)F 527a_100000199018_100000062450 [0,2,0,0,0,0|2,0,0]=4 9727 B10R0.72 CCC(CC)NC(=O)N(C)C 2708a_100000199018_100102631434 [0,2,0,0,0,0|2,0,0]=4 9728 B10R0.72 CCC(CC)NC(=O)[C@@H](C)O 240690a_100000199018_100000717761 [0,2,0,0,0,0|2,0,0]=4 9729 B10R0.72 CCC(CC)NC(=O)[C@H](C)O 1626a_100000199018_217856618621 [0,2,0,0,0,0|2,0,0]=4 9730 B10R0.72 CCC(CC)NC(=O)[C@H](C)O 240690a_100000199018_217856618621 [0,2,0,0,0,0|2,0,0]=4 9731 B10R0.72 CCN(CC)CC(=O)C(C)C 1458a_100000758533_100000210206 [0,2,0,0,0,0|1,0,0]=3 9732 B10R0.72 CCN(CC)CC(=O)C(C)C 2230a_100000724800_100000753385 [0,2,0,0,0,0|1,0,0]=3 9733 B10R0.72 CCN(CC)CC(=O)C(C)C 269956a_100000042499_100000753385 [0,2,0,0,0,0|1,0,0]=3 9734 B10R0.72 CCN(CC)CC(=O)C(C)C 269982a_100000724800_100000753385 [0,2,0,0,0,0|1,0,0]=3 9735 B10R0.72 CCN(CC)CC(=O)N(C)C 11a_100102631434_100000758533 [0,2,0,0,0,0|2,0,0]=4 9736 B10R0.72 CCN(CC)CC(=O)N(C)C 1626a_100102631434_100000758533 [0,2,0,0,0,0|2,0,0]=4 9737 B10R0.72 CCN(CC)CC(=O)N(C)C 2230a_100000724800_100000185267 [0,2,0,0,0,0|2,0,0]=4 9738 B10R0.72 CCN(CC)CC(=O)N(C)C 240690a_100102631434_100000758533 [0,2,0,0,0,0|2,0,0]=4 9739 B10R0.72 CCN(CC)CC(=O)N(C)C 269956a_100000042499_100000692301 [0,2,0,0,0,0|2,0,0]=4 9740 B10R0.72 CCN(CC)CC(=O)N(C)C 269982a_100000724800_100000185267 [0,2,0,0,0,0|2,0,0]=4 9741 B10R0.72 CCN(CC)CC(=O)N(C)C 527a_100102631434_100000758533 [0,2,0,0,0,0|2,0,0]=4 9742 B10R0.72 CC[C@@H](CO)NC(=O)C(C)C 240690a_100000709445_100000210198 [0,2,0,0,0,0|1,0,0]=3 9743 B10R0.72 CC[C@@H](CO)NC(=O)C(C)C 527a_100000709445_100000210198 [0,2,0,0,0,0|1,0,0]=3 9744 B10R0.72 CC[C@@H](CO)NC(=O)C(C)F 240690a_100000709445_100000062450 [0,2,0,0,0,0|2,0,0]=4 9745 B10R0.72 CC[C@@H](CO)NC(=O)C(C)F 527a_100000709445_100000062450 [0,2,0,0,0,0|2,0,0]=4 9746 B10R0.72 CC[C@@H](CO)NC(=O)[C@@H](C)O 240690a_100000709445_100000717761 [0,2,0,0,0,0|2,0,0]=4 9747 B10R0.72 CC[C@@H](CO)NC(=O)[C@H](C)O 240690a_100000709445_217856618621 [0,2,0,0,0,0|2,0,0]=4 9748 B10R0.72 COC(CC(=O)C(C)C)OC 1458a_100000082724_100000210206 [0,2,0,0,0,0|1,0,0]=3 9749 B10R0.72 COC(CC(=O)C(C)C)OC 1458a_100000210198_100000751394 [0,2,0,0,0,0|1,0,0]=3 9750 B10R0.72 COC(CC(=O)C(C)F)OC 1458a_100000062450_100000751394 [0,2,0,0,0,0|2,0,0]=4 9751 B10R0.72 COC(CC(=O)N(C)C)OC 11a_100102631434_100000082724 [0,2,0,0,0,0|2,0,0]=4 9752 B10R0.72 COC(CC(=O)N(C)C)OC 1626a_100102631434_100000082724 [0,2,0,0,0,0|2,0,0]=4 9753 B10R0.72 COC(CC(=O)N(C)C)OC 240690a_100102631434_100000082724 [0,2,0,0,0,0|2,0,0]=4 9754 B10R0.72 COC(CC(=O)N(C)C)OC 527a_100102631434_100000082724 [0,2,0,0,0,0|2,0,0]=4 9755 B10R0.72 COC(CC(=O)[C@@H](C)O)OC 1458a_100000717761_100000751394 [0,2,0,0,0,0|2,0,0]=4 9756 B10R0.72 COC(CC(=O)[C@H](C)O)OC 1458a_217856618621_100000751394 [0,2,0,0,0,0|2,0,0]=4 9757 B10R0.42 CC(C)S(=O)(=O)CCNCF 34a_100000732177_100015361967 [0,2,0,0,0,0|2,0,0]=4 9758 B10R0.42 CC(C)S(=O)(=O)NCCCF 270084a_100015189416_100000742656 [0,2,0,0,0,0|2,0,0]=4 9759 B10R0.42 CC(C)S(=O)(=O)NCCCF 274078a_100015189416_100000742656 [0,2,0,0,0,0|2,0,0]=4 9760 B10R0.42 CC(C)S(=O)(=O)NCCCO 270084a_100000182051_100000742656 [0,2,0,0,0,0|2,0,0]=4 9761 B10R0.42 CC(C)S(=O)(=O)NCCCO 274078a_100000182051_100000742656 [0,2,0,0,0,0|2,0,0]=4 9762 B10R0.42 CCCCCS(=O)(=O)N(C)C 270084a_100102631434_100000753860 [0,2,0,0,0,0|2,0,0]=4 9763 B10R0.42 CCCCCS(=O)(=O)N(C)C 274078a_100102631434_100000753860 [0,2,0,0,0,0|2,0,0]=4 9764 B10R0.42 CCCCNC(C)(C)C(C)C 2230a_200160471154_100000210211 [0,2,0,0,0,0|1,0,1]=4 9765 B10R0.42 CCCCNS(=O)(=O)C(C)C 270084a_100000102301_100000742656 [0,2,0,0,0,0|1,0,0]=3 9766 B10R0.42 CCCCNS(=O)(=O)C(C)C 274078a_100000102301_100000742656 [0,2,0,0,0,0|1,0,0]=3 9767 B10R0.42 CCCCOC(C)(C)C(C)C 7a_100011215261_100000210211 [0,2,0,0,0,0|1,0,1]=4 9768 B10R0.42 CCNCCS(=O)(=O)C(C)C 2230a_100000732177_100000210202 [0,2,0,0,0,0|1,0,0]=3 9769 B10R0.42 CCNCCS(=O)(=O)C(C)C 34a_100000732177_100000210202 [0,2,0,0,0,0|1,0,0]=3 9770 B10R0.42 CCNCCS(=O)(=O)N(C)C 2230a_100000733455_100000210202 [0,2,0,0,0,0|2,0,0]=4 9771 B10R0.42 CCNCCS(=O)(=O)N(C)C 34a_100000733455_100000210202 [0,2,0,0,0,0|2,0,0]=4 9772 B10R0.42 CCOCCS(=O)(=O)N(C)C 270084a_100102631434_100000747040 [0,2,0,0,0,0|2,0,0]=4 9773 B10R0.42 CCOCCS(=O)(=O)N(C)C 274078a_100102631434_100000747040 [0,2,0,0,0,0|2,0,0]=4 9774 B10R0.42 CN(C)S(=O)(=O)CCCCCl 270084a_100102631434_100000021705 [0,2,0,0,0,0|2,0,0]=4 9775 B10R0.42 CN(C)S(=O)(=O)CCCS[13CH3] 62a_100000750587_200025704644 [0,2,0,0,0,0|2,0,0]=4 9776 B10R0.42 CN(C)S(=O)(=O)CCCS[13CH3] 62a_200025704644_100000750587 [0,2,0,0,0,0|2,0,0]=4 9777 B10R0.42 CNCCCS(=O)(=O)N(C)C 2230a_106832991635_100000750587 [0,2,0,0,0,0|2,0,0]=4 9778 B10R0.42 CNCCCS(=O)(=O)N(C)C 34a_100102657272_100000750587 [0,2,0,0,0,0|2,0,0]=4 9779 B10R0.42 CNCCCS(=O)(=O)N(C)C 7a_106832991635_100000750587 [0,2,0,0,0,0|2,0,0]=4 9780 B10R0.42 COCCCS(=O)(=O)N(C)C 34a_100138415774_100000750587 [0,2,0,0,0,0|2,0,0]=4 9781 B10R0.42 COCCNS(=O)(=O)C(C)C 270084a_100000209980_100000742656 [0,2,0,0,0,0|2,0,0]=4 9782 B10R0.42 COCCNS(=O)(=O)C(C)C 274078a_100000209980_100000742656 [0,2,0,0,0,0|2,0,0]=4 9783 B10R0.42 CSCCCS(=O)(=O)N(C)C 62a_100000750587_200000210301 [0,2,0,0,0,0|2,0,0]=4 9784 B10R0.42 CSCCCS(=O)(=O)N(C)C 62a_200000210301_100000750587 [0,2,0,0,0,0|2,0,0]=4 9785 B10R0.42 CSCCNS(=O)(=O)C(C)C 270084a_100020590264_100000742656 [0,2,0,0,0,0|2,0,0]=4 9786 B10R0.42 CSCCNS(=O)(=O)C(C)C 274078a_100020590264_100000742656 [0,2,0,0,0,0|2,0,0]=4 9787 B10R0.75 C#CCCCCC(=O)C(=C)C 1458a_100000185857_100010269958 [0,2,0,0,0,0|0,0,2]=4 9788 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000210198_100010269958 [0,2,0,0,0,0|0,0,0]=2 9789 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000696528_100000210206 [0,2,0,0,0,0|0,0,0]=2 9790 B10R0.75 C#CCCCCC(=O)C(C)F 1458a_100000062450_100010269958 [0,2,0,0,0,0|1,0,0]=3 9791 B10R0.75 C#CCCCCC(=O)C(O)O 1458a_100000233687_100010269958 [0,2,0,0,0,0|2,0,0]=4 9792 B10R0.75 C#CCCCCC(=O)N(C)C 11a_100102631434_100000696528 [0,2,0,0,0,0|1,0,0]=3 9793 B10R0.75 C#CCCCCC(=O)N(C)C 1626a_100102631434_100000696528 [0,2,0,0,0,0|1,0,0]=3 9794 B10R0.75 C#CCCCCC(=O)N(C)C 240690a_100102631434_100000696528 [0,2,0,0,0,0|1,0,0]=3 9795 B10R0.75 C#CCCCCC(=O)N(C)C 527a_100102631434_100000696528 [0,2,0,0,0,0|1,0,0]=3 9796 B10R0.75 C#CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010269958 [0,2,0,0,0,0|1,0,0]=3 9797 B10R0.75 C#CCCCCC(=O)[C@H](C)O 1458a_217856618621_100010269958 [0,2,0,0,0,0|1,0,0]=3 9798 B10R0.75 C#CCCCCN(C)C(C)C 269982a_200000211004_100010269958 [0,2,0,0,0,0|2,0,0]=4 9799 B10R0.75 C#CCCCNC(=O)C(C)C 11a_100000718082_100000210198 [0,2,0,0,0,0|0,0,1]=3 9800 B10R0.75 C#CCCCNC(=O)C(C)C 1626a_100000718082_100000210198 [0,2,0,0,0,0|0,0,1]=3 9801 B10R0.75 C#CCCCNC(=O)C(C)C 240690a_100000718082_100000210198 [0,2,0,0,0,0|0,0,1]=3 9802 B10R0.75 C#CCCCNC(=O)C(C)C 527a_100000718082_100000210198 [0,2,0,0,0,0|0,0,1]=3 9803 B10R0.75 C#CCCCNC(=O)C(C)F 11a_100000718082_100000062450 [0,2,0,0,0,0|1,0,1]=4 9804 B10R0.75 C#CCCCNC(=O)C(C)F 1626a_100000718082_100000062450 [0,2,0,0,0,0|1,0,1]=4 9805 B10R0.75 C#CCCCNC(=O)C(C)F 240690a_100000718082_100000062450 [0,2,0,0,0,0|1,0,1]=4 9806 B10R0.75 C#CCCCNC(=O)C(C)F 527a_100000718082_100000062450 [0,2,0,0,0,0|1,0,1]=4 9807 B10R0.75 C#CCCCNC(=O)N(C)C 2708a_100000718082_100102631434 [0,2,0,0,0,0|1,0,1]=4 9808 B10R0.75 C#CCCCNC(=O)[C@@H](C)O 240690a_100000718082_100000717761 [0,2,0,0,0,0|1,0,1]=4 9809 B10R0.75 C#CCCCNC(=O)[C@H](C)O 1626a_100000718082_217856618621 [0,2,0,0,0,0|1,0,1]=4 9810 B10R0.75 C#CCCCNC(=O)[C@H](C)O 240690a_100000718082_217856618621 [0,2,0,0,0,0|1,0,1]=4 9811 B10R0.75 C#CCCNCC(=O)C(C)C 34a_100000755551_100000753385 [0,2,0,0,0,0|0,0,1]=3 9812 B10R0.75 C#CCCNCC(=O)N(C)C 2230a_100015183351_100000688953 [0,2,0,0,0,0|1,0,1]=4 9813 B10R0.75 C#CCCNCC(=O)N(C)C 34a_100000755551_100000692301 [0,2,0,0,0,0|1,0,1]=4 9814 B10R0.75 C#CCCOCC(=O)C(C)C 34a_100011215631_100000753385 [0,2,0,0,0,0|0,0,1]=3 9815 B10R0.75 C#CCCOCC(=O)N(C)C 34a_100011215631_100000692301 [0,2,0,0,0,0|1,0,1]=4 9816 B10R0.75 C#CCCSCC(=O)C(C)C 62a_100000688953_100000753385 [0,2,0,0,0,0|0,0,1]=3 9817 B10R0.75 C#CCCSCC(=O)C(C)C 62a_100000753385_100000688953 [0,2,0,0,0,0|0,0,1]=3 9818 B10R0.75 C#CCCSCC(=O)N(C)C 62a_100000688953_100000692301 [0,2,0,0,0,0|1,0,1]=4 9819 B10R0.75 C#CCCSCC(=O)N(C)C 62a_100000692301_100000688953 [0,2,0,0,0,0|1,0,1]=4 9820 B10R0.75 C#CCNCCC(=O)N(C)C 2230a_100000738053_100000038162 [0,2,0,0,0,0|1,0,1]=4 9821 B10R0.75 C#CCOCCC(=O)C(C)C 1458a_100000210198_100010402529 [0,2,0,0,0,0|0,0,1]=3 9822 B10R0.75 C#CCOCCC(=O)C(C)C 1458a_100000693358_100000210206 [0,2,0,0,0,0|0,0,1]=3 9823 B10R0.75 C#CCOCCC(=O)C(C)F 1458a_100000062450_100010402529 [0,2,0,0,0,0|1,0,1]=4 9824 B10R0.75 C#CCOCCC(=O)N(C)C 11a_100102631434_100000693358 [0,2,0,0,0,0|1,0,1]=4 9825 B10R0.75 C#CCOCCC(=O)N(C)C 1626a_100102631434_100000693358 [0,2,0,0,0,0|1,0,1]=4 9826 B10R0.75 C#CCOCCC(=O)N(C)C 240690a_100102631434_100000693358 [0,2,0,0,0,0|1,0,1]=4 9827 B10R0.75 C#CCOCCC(=O)N(C)C 34a_200000747469_100000184674 [0,2,0,0,0,0|1,0,1]=4 9828 B10R0.75 C#CCOCCC(=O)N(C)C 527a_100102631434_100000693358 [0,2,0,0,0,0|1,0,1]=4 9829 B10R0.75 C#CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100010402529 [0,2,0,0,0,0|1,0,1]=4 9830 B10R0.75 C#CCOCCC(=O)[C@H](C)O 1458a_217856618621_100010402529 [0,2,0,0,0,0|1,0,1]=4 9831 B10R0.75 C#CCSCCC(=O)N(C)C 62a_100000038162_100000737620 [0,2,0,0,0,0|1,0,1]=4 9832 B10R0.75 C#CCSCOC(=O)C(C)C 62a_100000038162_100000139345 [0,2,0,0,0,0|0,0,2]=4 9833 B10R0.75 C/C=C/COCC(=O)C(C)C 34a_100016270725_100000753385 [0,2,0,0,0,0|0,0,1]=3 9834 B10R0.75 C/C=C/COCC(=O)N(C)C 34a_100016270725_100000692301 [0,2,0,0,0,0|1,0,1]=4 9835 B10R0.75 C/C=C/CSCC(=O)C(C)C 62a_100000753385_100102629194 [0,2,0,0,0,0|0,0,1]=3 9836 B10R0.75 C/C=C/CSCC(=O)C(C)C 62a_100102629194_100000753385 [0,2,0,0,0,0|0,0,1]=3 9837 B10R0.75 C/C=C/CSCC(=O)N(C)C 62a_100000692301_100102629194 [0,2,0,0,0,0|1,0,1]=4 9838 B10R0.75 C/C=C/CSCC(=O)N(C)C 62a_100102629194_100000692301 [0,2,0,0,0,0|1,0,1]=4 9839 B10R0.75 C=C(C)C(=O)CC/C=C\CC 1458a_100000185857_100015370543 [0,2,0,0,0,0|0,0,2]=4 9840 B10R0.75 C=C(C)C(=O)CCCCC#N 1458a_100000185857_100000211819 [0,2,0,0,0,0|0,0,2]=4 9841 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,2,0,0,0,0|0,0,2]=4 9842 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [0,2,0,0,0,0|0,0,2]=4 9843 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [0,2,0,0,0,0|0,0,2]=4 9844 B10R0.75 C=C(C)C(=O)CCCCOC 1458a_100000185857_100000755781 [0,2,0,0,0,0|0,0,2]=4 9845 B10R0.75 C=C(C)C(=O)CCCOCC 1458a_100000185857_100012232248 [0,2,0,0,0,0|0,0,2]=4 9846 B10R0.75 C=C(C)C(=O)CCOCCC 1458a_100000185857_100011215938 [0,2,0,0,0,0|0,0,2]=4 9847 B10R0.75 C=C(C)C(=O)CCOCCO 1458a_100000185857_100011215305 [0,2,0,0,0,0|0,0,2]=4 9848 B10R0.75 C=C(C)C(=O)COCCCC 1458a_100000185857_100011995733 [0,2,0,0,0,0|0,0,2]=4 9849 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [0,2,0,0,0,0|0,0,2]=4 9850 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [0,2,0,0,0,0|0,0,2]=4 9851 B10R0.75 C=C(C)C(=O)NCCCNC 2230a_100016987756_200000210301 [0,2,0,0,0,0|0,0,2]=4 9852 B10R0.75 C=C(C)C(=O)NCCCN[13CH3] 2230a_100016987756_200025704644 [0,2,0,0,0,0|0,0,2]=4 9853 B10R0.75 C=C(C)C(=O)NCCCOC 1626a_100150723488_100000185857 [0,2,0,0,0,0|0,0,2]=4 9854 B10R0.75 C=C(C)C(=O)NCCCSC 11a_100000749238_100000185857 [0,2,0,0,0,0|0,0,2]=4 9855 B10R0.75 C=C(C)C(=O)NCCCSC 1626a_100000749238_100000185857 [0,2,0,0,0,0|0,0,2]=4 9856 B10R0.75 C=C(C)C(=O)NCCNCC 2230a_100102636416_100000210202 [0,2,0,0,0,0|0,0,2]=4 9857 B10R0.75 C=C(C)C(=O)NCCOCC 11a_100011200944_100000185857 [0,2,0,0,0,0|0,0,2]=4 9858 B10R0.75 C=C(C)C(=O)NCCOCC 1626a_102516460346_100000185857 [0,2,0,0,0,0|0,0,2]=4 9859 B10R0.75 C=C(C)C(=O)NCCSCC 11a_100000106463_100000185857 [0,2,0,0,0,0|0,0,2]=4 9860 B10R0.75 C=C(C)C(=O)NCCSCC 1626a_100000106463_100000185857 [0,2,0,0,0,0|0,0,2]=4 9861 B10R0.75 C=C(C)C(=O)NNCCCC 22a_100025702795_100000185857 [0,2,0,0,0,0|0,0,2]=4 9862 B10R0.75 C=C(C)C(=O)OCCCOC 7a_100000032641_200000210301 [0,2,0,0,0,0|0,0,2]=4 9863 B10R0.75 C=C(C)C(=O)OCCCO[13CH3] 7a_100000032641_200025704644 [0,2,0,0,0,0|0,0,2]=4 9864 B10R0.75 C=C(C)C(=O)OCCNCC 2230a_100015525214_100009816335 [0,2,0,0,0,0|0,0,2]=4 9865 B10R0.75 C=C(C)C(=O)OCCOCC 34a_100121572206_100009816335 [0,2,0,0,0,0|0,0,2]=4 9866 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100000210202_100009816335 [0,2,0,0,0,0|0,0,2]=4 9867 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100009816335_100000210202 [0,2,0,0,0,0|0,0,2]=4 9868 B10R0.75 C=CCCCCC(=O)C(=C)C 1458a_100000185857_100011215482 [0,2,0,0,0,0|0,0,2]=4 9869 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100000210198_100011215482 [0,2,0,0,0,0|0,0,0]=2 9870 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100011215552_100000210206 [0,2,0,0,0,0|0,0,0]=2 9871 B10R0.75 C=CCCCCC(=O)C(C)F 1458a_100000062450_100011215482 [0,2,0,0,0,0|1,0,0]=3 9872 B10R0.75 C=CCCCCC(=O)C(O)O 1458a_100000233687_100011215482 [0,2,0,0,0,0|2,0,0]=4 9873 B10R0.75 C=CCCCCC(=O)N(C)C 11a_100102631434_100011215552 [0,2,0,0,0,0|1,0,0]=3 9874 B10R0.75 C=CCCCCC(=O)N(C)C 1626a_100102631434_100011215552 [0,2,0,0,0,0|1,0,0]=3 9875 B10R0.75 C=CCCCCC(=O)N(C)C 240690a_100102631434_100011215552 [0,2,0,0,0,0|1,0,0]=3 9876 B10R0.75 C=CCCCCC(=O)N(C)C 527a_100102631434_100011215552 [0,2,0,0,0,0|1,0,0]=3 9877 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [0,2,0,0,0,0|1,0,0]=3 9878 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [0,2,0,0,0,0|1,0,0]=3 9879 B10R0.75 C=CCCCCN(C)C(C)C 2230a_100012000471_100000210206 [0,2,0,0,0,0|2,0,0]=4 9880 B10R0.75 C=CCCCCN(C)C(C)C 269982a_100012000471_100000210206 [0,2,0,0,0,0|2,0,0]=4 9881 B10R0.75 C=CCCCCN(C)C(C)C 269982a_200000211004_100011215482 [0,2,0,0,0,0|2,0,0]=4 9882 B10R0.75 C=CCCCNC(=O)C(C)C 11a_100000700776_100000210198 [0,2,0,0,0,0|0,0,1]=3 9883 B10R0.75 C=CCCCNC(=O)C(C)C 1626a_100000700776_100000210198 [0,2,0,0,0,0|0,0,1]=3 9884 B10R0.75 C=CCCCNC(=O)C(C)C 240690a_100000700776_100000210198 [0,2,0,0,0,0|0,0,1]=3 9885 B10R0.75 C=CCCCNC(=O)C(C)C 527a_100000700776_100000210198 [0,2,0,0,0,0|0,0,1]=3 9886 B10R0.75 C=CCCCNC(=O)C(C)F 11a_100000700776_100000062450 [0,2,0,0,0,0|1,0,1]=4 9887 B10R0.75 C=CCCCNC(=O)C(C)F 1626a_100000700776_100000062450 [0,2,0,0,0,0|1,0,1]=4 9888 B10R0.75 C=CCCCNC(=O)C(C)F 240690a_100000700776_100000062450 [0,2,0,0,0,0|1,0,1]=4 9889 B10R0.75 C=CCCCNC(=O)C(C)F 527a_100000700776_100000062450 [0,2,0,0,0,0|1,0,1]=4 9890 B10R0.75 C=CCCCNC(=O)N(C)C 2708a_100000700776_100102631434 [0,2,0,0,0,0|1,0,1]=4 9891 B10R0.75 C=CCCCNC(=O)[C@@H](C)O 240690a_100000700776_100000717761 [0,2,0,0,0,0|1,0,1]=4 9892 B10R0.75 C=CCCCNC(=O)[C@H](C)O 1626a_100000700776_217856618621 [0,2,0,0,0,0|1,0,1]=4 9893 B10R0.75 C=CCCCNC(=O)[C@H](C)O 240690a_100000700776_217856618621 [0,2,0,0,0,0|1,0,1]=4 9894 B10R0.75 C=CCCNCC(=O)C(C)C 2230a_100015191253_100000753385 [0,2,0,0,0,0|0,0,1]=3 9895 B10R0.75 C=CCCNCC(=O)N(C)C 2230a_100015183351_100000754431 [0,2,0,0,0,0|1,0,1]=4 9896 B10R0.75 C=CCCNCC(=O)N(C)C 2230a_100015191253_100000185267 [0,2,0,0,0,0|1,0,1]=4 9897 B10R0.75 C=CCCOCC(=O)C(C)C 34a_100011205117_100000753385 [0,2,0,0,0,0|0,0,1]=3 9898 B10R0.75 C=CCCOCC(=O)N(C)C 34a_100011205117_100000692301 [0,2,0,0,0,0|1,0,1]=4 9899 B10R0.75 C=CCCSCC(=O)C(C)C 62a_100000753385_100000754431 [0,2,0,0,0,0|0,0,1]=3 9900 B10R0.75 C=CCCSCC(=O)C(C)C 62a_100000754431_100000753385 [0,2,0,0,0,0|0,0,1]=3 9901 B10R0.75 C=CCCSCC(=O)N(C)C 62a_100000692301_100000754431 [0,2,0,0,0,0|1,0,1]=4 9902 B10R0.75 C=CCCSCC(=O)N(C)C 62a_100000754431_100000692301 [0,2,0,0,0,0|1,0,1]=4 9903 B10R0.75 C=CCNCCC(=O)N(C)C 2230a_100000738053_100000210623 [0,2,0,0,0,0|1,0,1]=4 9904 B10R0.75 C=CCNCCC(=O)N(C)C 2230a_100020586998_100000737620 [0,2,0,0,0,0|1,0,1]=4 9905 B10R0.75 C=CCOCCC(=O)C(C)C 1458a_200011217002_100000210206 [0,2,0,0,0,0|0,0,1]=3 9906 B10R0.75 C=CCOCCC(=O)N(C)C 11a_100102631434_200011217002 [0,2,0,0,0,0|1,0,1]=4 9907 B10R0.75 C=CCOCCC(=O)N(C)C 1626a_100102631434_200011217002 [0,2,0,0,0,0|1,0,1]=4 9908 B10R0.75 C=CCOCCC(=O)N(C)C 240690a_100102631434_200011217002 [0,2,0,0,0,0|1,0,1]=4 9909 B10R0.75 C=CCOCCC(=O)N(C)C 34a_200000747469_100015514636 [0,2,0,0,0,0|1,0,1]=4 9910 B10R0.75 C=CCOCCC(=O)N(C)C 527a_100102631434_200011217002 [0,2,0,0,0,0|1,0,1]=4 9911 B10R0.75 C=CCSCCC(=O)N(C)C 62a_100000210623_100000737620 [0,2,0,0,0,0|1,0,1]=4 9912 B10R0.75 C=CCSCCC(=O)N(C)C 62a_100000737620_100000210623 [0,2,0,0,0,0|1,0,1]=4 9913 B10R0.75 C=CCSCOC(=O)C(C)C 62a_100000139345_100000210623 [0,2,0,0,0,0|0,0,2]=4 9914 B10R0.75 C=CCSCOC(=O)C(C)C 62a_100000210623_100000139345 [0,2,0,0,0,0|0,0,2]=4 9915 B10R0.75 CC#CCNCC(=O)C(C)C 2230a_100000685387_100000753385 [0,2,0,0,0,0|0,0,1]=3 9916 B10R0.75 CC#CCNCC(=O)C(C)C 34a_100000685387_100000753385 [0,2,0,0,0,0|0,0,1]=3 9917 B10R0.75 CC#CCNCC(=O)N(C)C 2230a_100000685387_100000185267 [0,2,0,0,0,0|1,0,1]=4 9918 B10R0.75 CC#CCNCC(=O)N(C)C 2230a_100015183351_100000748600 [0,2,0,0,0,0|1,0,1]=4 9919 B10R0.75 CC#CCNCC(=O)N(C)C 34a_100000685387_100000692301 [0,2,0,0,0,0|1,0,1]=4 9920 B10R0.75 CC#CCOCC(=O)C(C)C 34a_100000761923_100000753385 [0,2,0,0,0,0|0,0,1]=3 9921 B10R0.75 CC#CCOCC(=O)N(C)C 34a_100000761923_100000692301 [0,2,0,0,0,0|1,0,1]=4 9922 B10R0.75 CC#CCSCC(=O)C(C)C 62a_100000748600_100000753385 [0,2,0,0,0,0|0,0,1]=3 9923 B10R0.75 CC#CCSCC(=O)C(C)C 62a_100000753385_100000748600 [0,2,0,0,0,0|0,0,1]=3 9924 B10R0.75 CC#CCSCC(=O)N(C)C 62a_100000692301_100000748600 [0,2,0,0,0,0|1,0,1]=4 9925 B10R0.75 CC#CCSCC(=O)N(C)C 62a_100000748600_100000692301 [0,2,0,0,0,0|1,0,1]=4 9926 B10R0.75 CC(=O)C(=O)CNCCCF 34a_100015189416_100011261029 [0,2,0,0,0,0|1,0,1]=4 9927 B10R0.75 CC(=O)C(=O)COCCCBr 34a_100011217188_100011261029 [0,2,0,0,0,0|1,0,1]=4 9928 B10R0.75 CC(=O)C(=O)COCCCCl 34a_100000230001_100011261029 [0,2,0,0,0,0|1,0,1]=4 9929 B10R0.75 CC(=O)C(=O)COCCCF 34a_100000759539_100011261029 [0,2,0,0,0,0|1,0,1]=4 9930 B10R0.75 CC(=O)C(=O)COCCCN 34a_100000182051_100011261029 [0,2,0,0,0,0|1,0,1]=4 9931 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011261029_100011934791 [0,2,0,0,0,0|1,0,1]=4 9932 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011934791_100011261029 [0,2,0,0,0,0|1,0,1]=4 9933 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011215043_100011261029 [0,2,0,0,0,0|1,0,1]=4 9934 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011261029_100011215043 [0,2,0,0,0,0|1,0,1]=4 9935 B10R0.75 CC(C)C(=O)CCCCC#N 1458a_100000210198_100000211819 [0,2,0,0,0,0|0,0,0]=2 9936 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [0,2,0,0,0,0|0,0,0]=2 9937 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,2,0,0,0,0|0,0,0]=2 9938 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,2,0,0,0,0|0,0,0]=2 9939 B10R0.75 CC(C)C(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210206 [0,2,0,0,0,0|1,0,0]=3 9940 B10R0.75 CC(C)C(=O)CCOCC#N 1458a_100000210198_200000047693 [0,2,0,0,0,0|0,0,1]=3 9941 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100000210198_100011215305 [0,2,0,0,0,0|0,0,0]=2 9942 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100011229844_100000210206 [0,2,0,0,0,0|0,0,0]=2 9943 B10R0.75 CC(C)C(=O)CNCCCF 2230a_100015189416_100000753385 [0,2,0,0,0,0|0,0,0]=2 9944 B10R0.75 CC(C)C(=O)CNCCCF 34a_100015189416_100000753385 [0,2,0,0,0,0|0,0,0]=2 9945 B10R0.75 CC(C)C(=O)COCCCBr 34a_100011217188_100000753385 [0,2,0,0,0,0|0,0,0]=2 9946 B10R0.75 CC(C)C(=O)COCCCCl 34a_100000230001_100000753385 [0,2,0,0,0,0|0,0,0]=2 9947 B10R0.75 CC(C)C(=O)COCCCF 34a_100000759539_100000753385 [0,2,0,0,0,0|0,0,0]=2 9948 B10R0.75 CC(C)C(=O)COCCCN 34a_100000182051_100000753385 [0,2,0,0,0,0|0,0,0]=2 9949 B10R0.75 CC(C)C(=O)COCCON 34a_100000700252_100000753385 [0,2,0,0,0,0|1,0,0]=3 9950 B10R0.75 CC(C)C(=O)CSCCC#N 62a_100000753385_100011215226 [0,2,0,0,0,0|0,0,1]=3 9951 B10R0.75 CC(C)C(=O)CSCCC#N 62a_100011215226_100000753385 [0,2,0,0,0,0|0,0,1]=3 9952 B10R0.75 CC(C)C(=O)CSCCCF 62a_100000753385_100011934791 [0,2,0,0,0,0|0,0,0]=2 9953 B10R0.75 CC(C)C(=O)CSCCCF 62a_100011934791_100000753385 [0,2,0,0,0,0|0,0,0]=2 9954 B10R0.75 CC(C)C(=O)CSCCCO 62a_100000753385_100011215043 [0,2,0,0,0,0|0,0,0]=2 9955 B10R0.75 CC(C)C(=O)CSCCCO 62a_100011215043_100000753385 [0,2,0,0,0,0|0,0,0]=2 9956 B10R0.75 CC(C)C(=O)CSCSC#N 62a_100000211825_100000753385 [0,2,0,0,0,0|1,0,1]=4 9957 B10R0.75 CC(C)C(=O)CSCSC#N 62a_100000753385_100000211825 [0,2,0,0,0,0|1,0,1]=4 9958 B10R0.75 CC(C)C(=O)NCCCCO 240690a_100000750430_100000210198 [0,2,0,0,0,0|0,0,0]=2 9959 B10R0.75 CC(C)C(=O)NCCCCO 527a_100000750430_100000210198 [0,2,0,0,0,0|0,0,0]=2 9960 B10R0.75 CC(C)C(=O)NCCNCF 34a_100000752568_100015361967 [0,2,0,0,0,0|1,0,0]=3 9961 B10R0.75 CC(C)C(=O)NNCCC#N 22a_100000229987_100000210198 [0,2,0,0,0,0|1,0,1]=4 9962 B10R0.75 CC(C)C(=O)OCSCC#N 62a_100000139345_100011215382 [0,2,0,0,0,0|1,0,1]=4 9963 B10R0.75 CC(C)C(=O)OCSCC#N 62a_100011215382_100000139345 [0,2,0,0,0,0|1,0,1]=4 9964 B10R0.75 CC(C)C(=O)OCSCC=O 62a_100000139345_200015260668 [0,2,0,0,0,0|1,0,1]=4 9965 B10R0.75 CC(C)C(=O)OCSCC=O 62a_200015260668_100000139345 [0,2,0,0,0,0|1,0,1]=4 9966 B10R0.75 CC(C)C(=O)OCSCCF 62a_100000139345_100011217306 [0,2,0,0,0,0|1,0,0]=3 9967 B10R0.75 CC(C)C(=O)OCSCCF 62a_100011217306_100000139345 [0,2,0,0,0,0|1,0,0]=3 9968 B10R0.75 CC(C)C(=O)OCSCCO 62a_100000139345_100000211926 [0,2,0,0,0,0|1,0,0]=3 9969 B10R0.75 CC(C)C(=O)OCSCCO 62a_100000211926_100000139345 [0,2,0,0,0,0|1,0,0]=3 9970 B10R0.75 CC(C)C(C)NCCCCF 2230a_100000211541_100000729493 [0,2,0,0,0,0|1,0,1]=4 9971 B10R0.75 CC(C)C(C)NCCCCO 2230a_100000211541_100000210776 [0,2,0,0,0,0|1,0,1]=4 9972 B10R0.75 CC(C)C(C)OCCCCF 7a_100000748068_100000729493 [0,2,0,0,0,0|1,0,1]=4 9973 B10R0.75 CC(C)C(C)OCCCCO 7a_100000748068_100000210776 [0,2,0,0,0,0|1,0,1]=4 9974 B10R0.75 CC(C)C(N)CCOCCF 34a_100161115045_100011217306 [0,2,0,0,0,0|1,0,1]=4 9975 B10R0.75 CC(C)C(N)CCOCCO 34a_100161115045_100000211926 [0,2,0,0,0,0|1,0,1]=4 9976 B10R0.75 CC(C)C(O)CNCCCF 2230a_100000759067_100011934791 [0,2,0,0,0,0|0,0,2]=4 9977 B10R0.75 CC(C)C(O)CNCCCF 34a_100000759067_100011934791 [0,2,0,0,0,0|0,0,2]=4 9978 B10R0.75 CC(C)C(O)CNCCCO 2230a_100000759067_100000230001 [0,2,0,0,0,0|0,0,2]=4 9979 B10R0.75 CC(C)C(O)CNCCCO 34a_100000759067_100000230001 [0,2,0,0,0,0|0,0,2]=4 9980 B10R0.75 CC(C)N(C)CCCCC#N 269982a_200000211004_100011219923 [0,2,0,0,0,0|2,0,0]=4 9981 B10R0.75 CC(C)N(C)CCCCC=O 269982a_200000211004_100000139335 [0,2,0,0,0,0|2,0,0]=4 9982 B10R0.75 CC(C)N(C)CCCCCF 269982a_200000211004_100000729378 [0,2,0,0,0,0|2,0,0]=4 9983 B10R0.75 CC(C)N(C)CCCCCO 2230a_100000722520_100000210206 [0,2,0,0,0,0|2,0,0]=4 9984 B10R0.75 CC(C)N(C)CCCCCO 2230a_100011629493_200000210301 [0,2,0,0,0,0|2,0,0]=4 9985 B10R0.75 CC(C)N(C)CCCCCO 269982a_100000722520_100000210206 [0,2,0,0,0,0|2,0,0]=4 9986 B10R0.75 CC(C)N(C)CCCCCO 269982a_100011629493_200000210301 [0,2,0,0,0,0|2,0,0]=4 9987 B10R0.75 CC(C)N(C)CCCCCO 269982a_200000211004_100000746330 [0,2,0,0,0,0|2,0,0]=4 9988 B10R0.75 CC(C)N(C)CCCCCO 34a_100011629493_200000210301 [0,2,0,0,0,0|2,0,0]=4 9989 B10R0.75 CC(C)N(C)CCOCCO 2230a_100000228057_100000210206 [0,2,0,0,0,0|2,0,0]=4 9990 B10R0.75 CC(C)N(C)CCOCCO 269982a_100000228057_100000210206 [0,2,0,0,0,0|2,0,0]=4 9991 B10R0.75 CC(C)N(C)CCOCCO 269982a_200000211004_100011215305 [0,2,0,0,0,0|2,0,0]=4 9992 B10R0.75 CC(C)N([13CH3])CCCCCO 2230a_100011629493_200025704644 [0,2,0,0,0,0|2,0,0]=4 9993 B10R0.75 CC(C)N([13CH3])CCCCCO 269982a_100011629493_200025704644 [0,2,0,0,0,0|2,0,0]=4 9994 B10R0.75 CC(C)N([13CH3])CCCCCO 34a_100011629493_200025704644 [0,2,0,0,0,0|2,0,0]=4 9995 B10R0.75 CC(C)[C@@H](N)COCCCF 34a_100011830312_100011934791 [0,2,0,0,0,0|1,0,1]=4 9996 B10R0.75 CC(C)[C@@H](N)COCCCO 34a_100011830312_100000230001 [0,2,0,0,0,0|1,0,1]=4 9997 B10R0.75 CC(F)C(=O)CCCCC#N 1458a_100000062450_100000211819 [0,2,0,0,0,0|1,0,0]=3 9998 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [0,2,0,0,0,0|1,0,0]=3 9999 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,2,0,0,0,0|1,0,0]=3 10000 B10R0.75 CC(F)C(=O)CCOCC#N 1458a_100000062450_200000047693 [0,2,0,0,0,0|1,0,1]=4 10001 B10R0.75 CC(F)C(=O)CCOCCO 1458a_100000062450_100011215305 [0,2,0,0,0,0|1,0,0]=3 10002 B10R0.75 CC(F)C(=O)NCCCCO 240690a_100000750430_100000062450 [0,2,0,0,0,0|1,0,0]=3 10003 B10R0.75 CC(F)C(=O)NCCCCO 527a_100000750430_100000062450 [0,2,0,0,0,0|1,0,0]=3 10004 B10R0.75 CC/C=C\CCC(=O)C(C)C 1458a_100000210198_100015370543 [0,2,0,0,0,0|0,0,0]=2 10005 B10R0.75 CC/C=C\CCC(=O)C(C)F 1458a_100000062450_100015370543 [0,2,0,0,0,0|1,0,0]=3 10006 B10R0.75 CC/C=C\CCC(=O)C(O)O 1458a_100000233687_100015370543 [0,2,0,0,0,0|2,0,0]=4 10007 B10R0.75 CC/C=C\CCC(=O)[C@@H](C)O 1458a_100000717761_100015370543 [0,2,0,0,0,0|1,0,0]=3 10008 B10R0.75 CC/C=C\CCC(=O)[C@H](C)O 1458a_217856618621_100015370543 [0,2,0,0,0,0|1,0,0]=3 10009 B10R0.75 CC/C=C\CCN(C)C(C)C 269982a_200000211004_100015370543 [0,2,0,0,0,0|2,0,0]=4 10010 B10R0.75 CC=CCNCC(=O)N(C)C 2230a_100015183351_100000070051 [0,2,0,0,0,0|1,0,1]=4 10011 B10R0.75 CC=CCSCC(=O)C(C)C 62a_100000070051_100000753385 [0,2,0,0,0,0|0,0,1]=3 10012 B10R0.75 CC=CCSCC(=O)C(C)C 62a_100000753385_100000070051 [0,2,0,0,0,0|0,0,1]=3 10013 B10R0.75 CC=CCSCC(=O)N(C)C 62a_100000070051_100000692301 [0,2,0,0,0,0|1,0,1]=4 10014 B10R0.75 CC=CCSCC(=O)N(C)C 62a_100000692301_100000070051 [0,2,0,0,0,0|1,0,1]=4 10015 B10R0.75 CCC/C=C/CC(=O)C(C)C 1458a_200016266809_100000210206 [0,2,0,0,0,0|0,0,0]=2 10016 B10R0.75 CCC/C=C/CC(=O)N(C)C 11a_100102631434_200016266809 [0,2,0,0,0,0|1,0,0]=3 10017 B10R0.75 CCC/C=C/CC(=O)N(C)C 1626a_100102631434_200016266809 [0,2,0,0,0,0|1,0,0]=3 10018 B10R0.75 CCC/C=C/CC(=O)N(C)C 240690a_100102631434_200016266809 [0,2,0,0,0,0|1,0,0]=3 10019 B10R0.75 CCC/C=C/CC(=O)N(C)C 527a_100102631434_200016266809 [0,2,0,0,0,0|1,0,0]=3 10020 B10R0.75 CCCC=NNC(=O)C(C)C 4a_100000184118_100000185831 [0,2,0,0,0,0|0,0,1]=3 10021 B10R0.75 CCCCC=CC(=O)C(C)C 1458a_100016266645_100000210206 [0,2,0,0,0,0|0,0,0]=2 10022 B10R0.75 CCCCC=CC(=O)N(C)C 11a_100102631434_100016266645 [0,2,0,0,0,0|1,0,0]=3 10023 B10R0.75 CCCCC=CC(=O)N(C)C 1626a_100102631434_100016266645 [0,2,0,0,0,0|1,0,0]=3 10024 B10R0.75 CCCCC=CC(=O)N(C)C 240690a_100102631434_100016266645 [0,2,0,0,0,0|1,0,0]=3 10025 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,2,0,0,0,0|0,0,0]=2 10026 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,2,0,0,0,0|0,0,0]=2 10027 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,2,0,0,0,0|1,0,0]=3 10028 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,2,0,0,0,0|2,0,0]=4 10029 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 10030 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 10031 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 10032 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 10033 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|1,0,0]=3 10034 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|1,0,0]=3 10035 B10R0.75 CCCCCCN(C)C(C)C 2230a_106256046315_100000210206 [0,2,0,0,0,0|2,0,0]=4 10036 B10R0.75 CCCCCCN(C)C(C)C 269982a_106256046315_100000210206 [0,2,0,0,0,0|2,0,0]=4 10037 B10R0.75 CCCCCCN(C)C(C)C 269982a_200000211004_100000210757 [0,2,0,0,0,0|2,0,0]=4 10038 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,2,0,0,0,0|0,0,0]=2 10039 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,2,0,0,0,0|0,0,0]=2 10040 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,2,0,0,0,0|0,0,0]=2 10041 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,2,0,0,0,0|0,0,0]=2 10042 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,2,0,0,0,0|1,0,0]=3 10043 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,2,0,0,0,0|1,0,0]=3 10044 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,2,0,0,0,0|1,0,0]=3 10045 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,2,0,0,0,0|1,0,0]=3 10046 B10R0.75 CCCCCNC(=O)C(F)F 11a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 10047 B10R0.75 CCCCCNC(=O)C(F)F 1626a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 10048 B10R0.75 CCCCCNC(=O)C(F)F 240690a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 10049 B10R0.75 CCCCCNC(=O)C(F)F 527a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 10050 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,2,0,0,0,0|2,0,0]=4 10051 B10R0.75 CCCCCNC(=O)N(C)C 2708a_100000209983_100102631434 [0,2,0,0,0,0|1,0,0]=3 10052 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|1,0,0]=3 10053 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|1,0,0]=3 10054 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|1,0,0]=3 10055 B10R0.75 CCCCCNC(C)C(C)C 2230a_100000211541_100000210326 [0,2,0,0,0,0|1,0,1]=4 10056 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [0,2,0,0,0,0|1,0,1]=4 10057 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [0,2,0,0,0,0|0,0,0]=2 10058 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [0,2,0,0,0,0|0,0,0]=2 10059 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100000102301_100000185267 [0,2,0,0,0,0|1,0,0]=3 10060 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100015183351_100000210211 [0,2,0,0,0,0|1,0,0]=3 10061 B10R0.75 CCCCNCC(=O)N(C)C 7a_106832991798_100000692301 [0,2,0,0,0,0|1,0,0]=3 10062 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [0,2,0,0,0,0|0,0,2]=4 10063 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [0,2,0,0,0,0|0,0,2]=4 10064 B10R0.75 CCCCNN=C(C)C(C)C 4a_100025702795_100000211110 [0,2,0,0,0,0|1,0,0]=3 10065 B10R0.75 CCCCNN=C(C)C(C)O 4a_100025702795_100000212229 [0,2,0,0,0,0|2,0,0]=4 10066 B10R0.75 CCCCNNC(=O)C(C)C 22a_100025702795_100000210198 [0,2,0,0,0,0|0,0,0]=2 10067 B10R0.75 CCCCNNC(=O)C(C)F 22a_100025702795_100000062450 [0,2,0,0,0,0|1,0,0]=3 10068 B10R0.75 CCCCNNC(=O)C(F)F 22a_100025702795_100000210393 [0,2,0,0,0,0|2,0,0]=4 10069 B10R0.75 CCCCNNC(=O)C(O)O 22a_100025702795_100000233687 [0,2,0,0,0,0|2,0,0]=4 10070 B10R0.75 CCCCNNC(=O)[C@@H](C)O 22a_100025702795_100000717761 [0,2,0,0,0,0|1,0,0]=3 10071 B10R0.75 CCCCNNC(=O)[C@H](C)O 22a_100025702795_217856618621 [0,2,0,0,0,0|1,0,0]=3 10072 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,2,0,0,0,0|1,0,1]=4 10073 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [0,2,0,0,0,0|0,0,0]=2 10074 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [0,2,0,0,0,0|0,0,0]=2 10075 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [0,2,0,0,0,0|0,0,0]=2 10076 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [0,2,0,0,0,0|0,0,0]=2 10077 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [0,2,0,0,0,0|1,0,0]=3 10078 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [0,2,0,0,0,0|2,0,0]=4 10079 B10R0.75 CCCCOCC(=O)N(C)C 11a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 10080 B10R0.75 CCCCOCC(=O)N(C)C 1626a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 10081 B10R0.75 CCCCOCC(=O)N(C)C 240690a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 10082 B10R0.75 CCCCOCC(=O)N(C)C 34a_100000210227_100000692301 [0,2,0,0,0,0|1,0,0]=3 10083 B10R0.75 CCCCOCC(=O)N(C)C 527a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 10084 B10R0.75 CCCCOCC(=O)N(C)C 7a_100000210227_100000692301 [0,2,0,0,0,0|1,0,0]=3 10085 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,2,0,0,0,0|1,0,0]=3 10086 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,2,0,0,0,0|1,0,0]=3 10087 B10R0.75 CCCCOCN(C)C(C)C 269982a_200000211004_100011995733 [0,2,0,0,0,0|2,0,0]=4 10088 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [0,2,0,0,0,0|1,0,1]=4 10089 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,2,0,0,0,0|1,0,1]=4 10090 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,2,0,0,0,0|1,0,1]=4 10091 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [0,2,0,0,0,0|0,0,0]=2 10092 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [0,2,0,0,0,0|0,0,0]=2 10093 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [0,2,0,0,0,0|0,0,0]=2 10094 B10R0.75 CCCCSCC(=O)N(C)C 11a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 10095 B10R0.75 CCCCSCC(=O)N(C)C 1626a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 10096 B10R0.75 CCCCSCC(=O)N(C)C 240690a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 10097 B10R0.75 CCCCSCC(=O)N(C)C 527a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 10098 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000210211_100000692301 [0,2,0,0,0,0|1,0,0]=3 10099 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000692301_100000210210 [0,2,0,0,0,0|1,0,0]=3 10100 B10R0.75 CCCNCCC(=O)N(C)C 2230a_100000738053_100000210303 [0,2,0,0,0,0|1,0,0]=3 10101 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [0,2,0,0,0,0|0,0,0]=2 10102 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [0,2,0,0,0,0|1,0,0]=3 10103 B10R0.75 CCCOCCC(=O)C(O)O 1458a_100000233687_100011215938 [0,2,0,0,0,0|2,0,0]=4 10104 B10R0.75 CCCOCCC(=O)N(C)C 34a_200000747469_100000210303 [0,2,0,0,0,0|1,0,0]=3 10105 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,2,0,0,0,0|1,0,0]=3 10106 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,2,0,0,0,0|1,0,0]=3 10107 B10R0.75 CCCOCCC(N)C(C)C 34a_100161115045_100000210303 [0,2,0,0,0,0|1,0,1]=4 10108 B10R0.75 CCCOCCN(C)C(C)C 269982a_200000211004_100011215938 [0,2,0,0,0,0|2,0,0]=4 10109 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000210303_100000737620 [0,2,0,0,0,0|1,0,0]=3 10110 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000737620_100000210303 [0,2,0,0,0,0|1,0,0]=3 10111 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000139345_100000210303 [0,2,0,0,0,0|0,0,0]=2 10112 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000210303_100000139345 [0,2,0,0,0,0|0,0,0]=2 10113 B10R0.75 CCNCCCC(=O)N(C)C 2230a_100015525214_100000737642 [0,2,0,0,0,0|1,0,0]=3 10114 B10R0.75 CCNCCCC(=O)N(C)C 2230a_200000744827_100000210202 [0,2,0,0,0,0|1,0,0]=3 10115 B10R0.75 CCNCCNC(=O)C(C)C 2230a_100000752568_100000210202 [0,2,0,0,0,0|0,0,0]=2 10116 B10R0.75 CCNCCNC(=O)C(C)C 34a_100000752568_100000210202 [0,2,0,0,0,0|0,0,0]=2 10117 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [0,2,0,0,0,0|0,0,0]=2 10118 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [0,2,0,0,0,0|1,0,0]=3 10119 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [0,2,0,0,0,0|2,0,0]=4 10120 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,2,0,0,0,0|1,0,0]=3 10121 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,2,0,0,0,0|1,0,0]=3 10122 B10R0.75 CCOCCCN(C)C(C)C 269982a_200000211004_100012232248 [0,2,0,0,0,0|2,0,0]=4 10123 B10R0.75 CCOCCNC(=O)C(C)C 11a_100011200944_100000210198 [0,2,0,0,0,0|0,0,0]=2 10124 B10R0.75 CCOCCNC(=O)C(C)C 1626a_102516460346_100000210198 [0,2,0,0,0,0|0,0,0]=2 10125 B10R0.75 CCOCCNC(=O)C(C)C 240690a_100011200944_100000210198 [0,2,0,0,0,0|0,0,0]=2 10126 B10R0.75 CCOCCNC(=O)C(C)C 527a_100011200944_100000210198 [0,2,0,0,0,0|0,0,0]=2 10127 B10R0.75 CCOCCNC(=O)C(C)F 11a_100011200944_100000062450 [0,2,0,0,0,0|1,0,0]=3 10128 B10R0.75 CCOCCNC(=O)C(C)F 1626a_102516460346_100000062450 [0,2,0,0,0,0|1,0,0]=3 10129 B10R0.75 CCOCCNC(=O)C(C)F 240690a_100011200944_100000062450 [0,2,0,0,0,0|1,0,0]=3 10130 B10R0.75 CCOCCNC(=O)C(C)F 527a_100011200944_100000062450 [0,2,0,0,0,0|1,0,0]=3 10131 B10R0.75 CCOCCNC(=O)C(F)F 11a_100011200944_100000210393 [0,2,0,0,0,0|2,0,0]=4 10132 B10R0.75 CCOCCNC(=O)C(F)F 1626a_102516460346_100000210393 [0,2,0,0,0,0|2,0,0]=4 10133 B10R0.75 CCOCCNC(=O)C(F)F 240690a_100011200944_100000210393 [0,2,0,0,0,0|2,0,0]=4 10134 B10R0.75 CCOCCNC(=O)C(F)F 527a_100011200944_100000210393 [0,2,0,0,0,0|2,0,0]=4 10135 B10R0.75 CCOCCNC(=O)C(O)O 240690a_100011200944_100000233687 [0,2,0,0,0,0|2,0,0]=4 10136 B10R0.75 CCOCCNC(=O)N(C)C 2708a_100011200944_100102631434 [0,2,0,0,0,0|1,0,0]=3 10137 B10R0.75 CCOCCNC(=O)[C@@H](C)O 240690a_100011200944_100000717761 [0,2,0,0,0,0|1,0,0]=3 10138 B10R0.75 CCOCCNC(=O)[C@H](C)O 1626a_102516460346_217856618621 [0,2,0,0,0,0|1,0,0]=3 10139 B10R0.75 CCOCCNC(=O)[C@H](C)O 240690a_100011200944_217856618621 [0,2,0,0,0,0|1,0,0]=3 10140 B10R0.75 CCOCCNC(C)C(C)C 2230a_100000211541_100011215890 [0,2,0,0,0,0|1,0,1]=4 10141 B10R0.75 CCOCCOC(C)C(C)C 7a_100000748068_100011215890 [0,2,0,0,0,0|1,0,1]=4 10142 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100000739092_100011261029 [0,2,0,0,0,0|1,0,1]=4 10143 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100011261029_100000739092 [0,2,0,0,0,0|1,0,1]=4 10144 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000739092_100000753385 [0,2,0,0,0,0|0,0,0]=2 10145 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000753385_100000739092 [0,2,0,0,0,0|0,0,0]=2 10146 B10R0.75 CCOCSCC(=O)N(C)C 62a_100000692301_100000739092 [0,2,0,0,0,0|1,0,0]=3 10147 B10R0.75 CCOCSCC(=O)N(C)C 62a_100000739092_100000692301 [0,2,0,0,0,0|1,0,0]=3 10148 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000210202_100000737642 [0,2,0,0,0,0|1,0,0]=3 10149 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000737642_100000210202 [0,2,0,0,0,0|1,0,0]=3 10150 B10R0.75 CCSCCNC(=O)C(C)C 11a_100000106463_100000210198 [0,2,0,0,0,0|0,0,0]=2 10151 B10R0.75 CCSCCNC(=O)C(C)C 1626a_100000106463_100000210198 [0,2,0,0,0,0|0,0,0]=2 10152 B10R0.75 CCSCCNC(=O)C(C)C 240690a_100000106463_100000210198 [0,2,0,0,0,0|0,0,0]=2 10153 B10R0.75 CCSCCNC(=O)C(C)C 527a_100000106463_100000210198 [0,2,0,0,0,0|0,0,0]=2 10154 B10R0.75 CCSCCNC(=O)C(C)F 11a_100000106463_100000062450 [0,2,0,0,0,0|1,0,0]=3 10155 B10R0.75 CCSCCNC(=O)C(C)F 1626a_100000106463_100000062450 [0,2,0,0,0,0|1,0,0]=3 10156 B10R0.75 CCSCCNC(=O)C(C)F 240690a_100000106463_100000062450 [0,2,0,0,0,0|1,0,0]=3 10157 B10R0.75 CCSCCNC(=O)C(C)F 527a_100000106463_100000062450 [0,2,0,0,0,0|1,0,0]=3 10158 B10R0.75 CCSCCNC(=O)C(F)F 11a_100000106463_100000210393 [0,2,0,0,0,0|2,0,0]=4 10159 B10R0.75 CCSCCNC(=O)C(F)F 1626a_100000106463_100000210393 [0,2,0,0,0,0|2,0,0]=4 10160 B10R0.75 CCSCCNC(=O)C(F)F 240690a_100000106463_100000210393 [0,2,0,0,0,0|2,0,0]=4 10161 B10R0.75 CCSCCNC(=O)C(F)F 527a_100000106463_100000210393 [0,2,0,0,0,0|2,0,0]=4 10162 B10R0.75 CCSCCNC(=O)C(O)O 240690a_100000106463_100000233687 [0,2,0,0,0,0|2,0,0]=4 10163 B10R0.75 CCSCCNC(=O)N(C)C 2708a_100000106463_100102631434 [0,2,0,0,0,0|1,0,0]=3 10164 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [0,2,0,0,0,0|1,0,0]=3 10165 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [0,2,0,0,0,0|1,0,0]=3 10166 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [0,2,0,0,0,0|1,0,0]=3 10167 B10R0.75 CCSCCNC(C)C(C)C 2230a_100000211541_100000757381 [0,2,0,0,0,0|1,0,1]=4 10168 B10R0.75 CCSCCOC(C)C(C)C 7a_100000748068_100000757381 [0,2,0,0,0,0|1,0,1]=4 10169 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [0,2,0,0,0,0|1,0,0]=3 10170 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_100000752486_200025704644 [0,2,0,0,0,0|1,0,0]=3 10171 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_200025704644_100000752486 [0,2,0,0,0,0|1,0,0]=3 10172 B10R0.75 CN(C)C(=O)CCCN=[N+]=[N-] 11a_100102631434_100010262590 [0,2,0,0,0,0|2,0,0]=4 10173 B10R0.75 CN(C)C(=O)CCCN=[N+]=[N-] 240690a_100102631434_100010262590 [0,2,0,0,0,0|2,0,0]=4 10174 B10R0.75 CN(C)C(=O)CCCN=[N+]=[N-] 527a_100102631434_100010262590 [0,2,0,0,0,0|2,0,0]=4 10175 B10R0.75 CN(C)C(=O)CCCSCF 62a_100000737642_100015361967 [0,2,0,0,0,0|1,0,0]=3 10176 B10R0.75 CN(C)C(=O)CCCSCF 62a_100015361967_100000737642 [0,2,0,0,0,0|1,0,0]=3 10177 B10R0.75 CN(C)C(=O)CCNCC#N 2230a_100000738053_100011215382 [0,2,0,0,0,0|1,0,1]=4 10178 B10R0.75 CN(C)C(=O)CCNCC=O 2230a_100000738053_200015260668 [0,2,0,0,0,0|1,0,1]=4 10179 B10R0.75 CN(C)C(=O)CCNCCF 2230a_100000738053_100011217306 [0,2,0,0,0,0|1,0,0]=3 10180 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100000738053_100000211926 [0,2,0,0,0,0|1,0,0]=3 10181 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100016997473_100000737620 [0,2,0,0,0,0|1,0,0]=3 10182 B10R0.75 CN(C)C(=O)CCOCC=O 34a_200000747469_200009817547 [0,2,0,0,0,0|1,0,1]=4 10183 B10R0.75 CN(C)C(=O)CCOCCF 34a_200000747469_100011217306 [0,2,0,0,0,0|1,0,0]=3 10184 B10R0.75 CN(C)C(=O)CCOCCO 1626a_100102631434_100011229844 [0,2,0,0,0,0|1,0,0]=3 10185 B10R0.75 CN(C)C(=O)CCOCCO 240690a_100102631434_100011229844 [0,2,0,0,0,0|1,0,0]=3 10186 B10R0.75 CN(C)C(=O)CCOCCO 34a_200000747469_100000211926 [0,2,0,0,0,0|1,0,0]=3 10187 B10R0.75 CN(C)C(=O)CCSCC#N 62a_100000737620_100011215382 [0,2,0,0,0,0|1,0,1]=4 10188 B10R0.75 CN(C)C(=O)CCSCC#N 62a_100011215382_100000737620 [0,2,0,0,0,0|1,0,1]=4 10189 B10R0.75 CN(C)C(=O)CCSCC=O 62a_100000737620_200015260668 [0,2,0,0,0,0|1,0,1]=4 10190 B10R0.75 CN(C)C(=O)CCSCC=O 62a_200015260668_100000737620 [0,2,0,0,0,0|1,0,1]=4 10191 B10R0.75 CN(C)C(=O)CCSCCF 62a_100000737620_100011217306 [0,2,0,0,0,0|1,0,0]=3 10192 B10R0.75 CN(C)C(=O)CCSCCF 62a_100011217306_100000737620 [0,2,0,0,0,0|1,0,0]=3 10193 B10R0.75 CN(C)C(=O)CCSCCO 62a_100000211926_100000737620 [0,2,0,0,0,0|1,0,0]=3 10194 B10R0.75 CN(C)C(=O)CCSCCO 62a_100000737620_100000211926 [0,2,0,0,0,0|1,0,0]=3 10195 B10R0.75 CN(C)C(=O)CNCCC#N 2230a_100015183351_100011215226 [0,2,0,0,0,0|1,0,1]=4 10196 B10R0.75 CN(C)C(=O)CNCCCF 2230a_100015183351_100011934791 [0,2,0,0,0,0|1,0,0]=3 10197 B10R0.75 CN(C)C(=O)CNCCCF 2230a_100015189416_100000185267 [0,2,0,0,0,0|1,0,0]=3 10198 B10R0.75 CN(C)C(=O)CNCCCF 34a_100015189416_100000692301 [0,2,0,0,0,0|1,0,0]=3 10199 B10R0.75 CN(C)C(=O)CNCCCO 2230a_100015183351_100000230001 [0,2,0,0,0,0|1,0,0]=3 10200 B10R0.75 CN(C)C(=O)COCCCBr 34a_100011217188_100000692301 [0,2,0,0,0,0|1,0,0]=3 10201 B10R0.75 CN(C)C(=O)COCCCCl 34a_100000230001_100000692301 [0,2,0,0,0,0|1,0,0]=3 10202 B10R0.75 CN(C)C(=O)COCCCF 34a_100000759539_100000692301 [0,2,0,0,0,0|1,0,0]=3 10203 B10R0.75 CN(C)C(=O)COCCCN 34a_100000182051_100000692301 [0,2,0,0,0,0|1,0,0]=3 10204 B10R0.75 CN(C)C(=O)COCCON 34a_100000700252_100000692301 [0,2,0,0,0,0|2,0,0]=4 10205 B10R0.75 CN(C)C(=O)CSCCC#N 62a_100000692301_100011215226 [0,2,0,0,0,0|1,0,1]=4 10206 B10R0.75 CN(C)C(=O)CSCCC#N 62a_100011215226_100000692301 [0,2,0,0,0,0|1,0,1]=4 10207 B10R0.75 CN(C)C(=O)CSCCCF 62a_100000692301_100011934791 [0,2,0,0,0,0|1,0,0]=3 10208 B10R0.75 CN(C)C(=O)CSCCCF 62a_100011934791_100000692301 [0,2,0,0,0,0|1,0,0]=3 10209 B10R0.75 CN(C)C(=O)CSCCCO 62a_100000692301_100011215043 [0,2,0,0,0,0|1,0,0]=3 10210 B10R0.75 CN(C)C(=O)CSCCCO 62a_100011215043_100000692301 [0,2,0,0,0,0|1,0,0]=3 10211 B10R0.75 CN(C)C(=O)NCCCCO 2708a_100000750430_100102631434 [0,2,0,0,0,0|1,0,0]=3 10212 B10R0.75 CNCCCCC(=O)N(C)C 34a_100102657272_100000752486 [0,2,0,0,0,0|1,0,0]=3 10213 B10R0.75 CNCCCCC(=O)N(C)C 7a_106832991635_100000752486 [0,2,0,0,0,0|1,0,0]=3 10214 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [0,2,0,0,0,0|0,0,0]=2 10215 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [0,2,0,0,0,0|1,0,0]=3 10216 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,2,0,0,0,0|2,0,0]=4 10217 B10R0.75 COCCCCC(=O)N(C)C 34a_100138415774_100000752486 [0,2,0,0,0,0|1,0,0]=3 10218 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,2,0,0,0,0|1,0,0]=3 10219 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,2,0,0,0,0|1,0,0]=3 10220 B10R0.75 COCCCCN(C)C(C)C 269982a_200000211004_100000730899 [0,2,0,0,0,0|2,0,0]=4 10221 B10R0.75 COCCCNC(=O)C(C)C 1626a_100150723488_100000210198 [0,2,0,0,0,0|0,0,0]=2 10222 B10R0.75 COCCCNC(=O)C(C)C 240690a_100150723488_100000210198 [0,2,0,0,0,0|0,0,0]=2 10223 B10R0.75 COCCCNC(=O)C(C)C 527a_100150723488_100000210198 [0,2,0,0,0,0|0,0,0]=2 10224 B10R0.75 COCCCNC(=O)C(C)F 1626a_100150723488_100000062450 [0,2,0,0,0,0|1,0,0]=3 10225 B10R0.75 COCCCNC(=O)C(C)F 240690a_100150723488_100000062450 [0,2,0,0,0,0|1,0,0]=3 10226 B10R0.75 COCCCNC(=O)C(C)F 527a_100150723488_100000062450 [0,2,0,0,0,0|1,0,0]=3 10227 B10R0.75 COCCCNC(=O)C(F)F 1626a_100150723488_100000210393 [0,2,0,0,0,0|2,0,0]=4 10228 B10R0.75 COCCCNC(=O)C(F)F 240690a_100150723488_100000210393 [0,2,0,0,0,0|2,0,0]=4 10229 B10R0.75 COCCCNC(=O)C(F)F 527a_100150723488_100000210393 [0,2,0,0,0,0|2,0,0]=4 10230 B10R0.75 COCCCNC(=O)C(O)O 240690a_100150723488_100000233687 [0,2,0,0,0,0|2,0,0]=4 10231 B10R0.75 COCCCNC(=O)N(C)C 2708a_100150723488_100102631434 [0,2,0,0,0,0|1,0,0]=3 10232 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [0,2,0,0,0,0|1,0,0]=3 10233 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [0,2,0,0,0,0|1,0,0]=3 10234 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [0,2,0,0,0,0|1,0,0]=3 10235 B10R0.75 COCCCNC(C)C(C)C 2230a_100000211541_100000740836 [0,2,0,0,0,0|1,0,1]=4 10236 B10R0.75 COCCCOC(C)C(C)C 7a_100000748068_100000740836 [0,2,0,0,0,0|1,0,1]=4 10237 B10R0.75 COCCNCC(=O)C(C)C 2230a_100000209980_100000753385 [0,2,0,0,0,0|0,0,0]=2 10238 B10R0.75 COCCNCC(=O)N(C)C 2230a_100000209980_100000185267 [0,2,0,0,0,0|1,0,0]=3 10239 B10R0.75 COCCNCC(=O)N(C)C 2230a_100015183351_100011201679 [0,2,0,0,0,0|1,0,0]=3 10240 B10R0.75 COCCNCC(O)C(C)C 2230a_100000759067_100011201679 [0,2,0,0,0,0|0,0,2]=4 10241 B10R0.75 COCCNCC(O)C(C)C 34a_100000759067_100011201679 [0,2,0,0,0,0|0,0,2]=4 10242 B10R0.75 COCCNNC(=O)C(C)C 22a_100000741390_100000210198 [0,2,0,0,0,0|1,0,0]=3 10243 B10R0.75 COCCNNC(=O)C(C)F 22a_100000741390_100000062450 [0,2,0,0,0,0|2,0,0]=4 10244 B10R0.75 COCCNNC(=O)[C@@H](C)O 22a_100000741390_100000717761 [0,2,0,0,0,0|2,0,0]=4 10245 B10R0.75 COCCNNC(=O)[C@H](C)O 22a_100000741390_217856618621 [0,2,0,0,0,0|2,0,0]=4 10246 B10R0.75 COCCOCC(=O)C(=O)C 34a_100000210237_100011261029 [0,2,0,0,0,0|1,0,1]=4 10247 B10R0.75 COCCOCC(=O)C(C)C 1458a_100000211095_100000210206 [0,2,0,0,0,0|0,0,0]=2 10248 B10R0.75 COCCOCC(=O)C(C)C 34a_100000210237_100000753385 [0,2,0,0,0,0|0,0,0]=2 10249 B10R0.75 COCCOCC(=O)N(C)C 11a_100102631434_100000211095 [0,2,0,0,0,0|1,0,0]=3 10250 B10R0.75 COCCOCC(=O)N(C)C 1626a_100102631434_100000211095 [0,2,0,0,0,0|1,0,0]=3 10251 B10R0.75 COCCOCC(=O)N(C)C 240690a_100102631434_100000211095 [0,2,0,0,0,0|1,0,0]=3 10252 B10R0.75 COCCOCC(=O)N(C)C 34a_100000210237_100000692301 [0,2,0,0,0,0|1,0,0]=3 10253 B10R0.75 COCCOCC(=O)N(C)C 527a_100102631434_100000211095 [0,2,0,0,0,0|1,0,0]=3 10254 B10R0.75 COCCOCN(C)C(C)C 269982a_200000211004_100000231047 [0,2,0,0,0,0|2,0,0]=4 10255 B10R0.75 COCCOC[C@H](N)C(C)C 34a_100011830312_100011201679 [0,2,0,0,0,0|1,0,1]=4 10256 B10R0.75 COCCSCC(=O)C(=O)C 62a_100000233755_100011261029 [0,2,0,0,0,0|1,0,1]=4 10257 B10R0.75 COCCSCC(=O)C(=O)C 62a_100011261029_100000233755 [0,2,0,0,0,0|1,0,1]=4 10258 B10R0.75 COCCSCC(=O)C(C)C 62a_100000233755_100000753385 [0,2,0,0,0,0|0,0,0]=2 10259 B10R0.75 COCCSCC(=O)C(C)C 62a_100000753385_100000233755 [0,2,0,0,0,0|0,0,0]=2 10260 B10R0.75 COCCSCC(=O)N(C)C 62a_100000233755_100000692301 [0,2,0,0,0,0|1,0,0]=3 10261 B10R0.75 COCCSCC(=O)N(C)C 62a_100000692301_100000233755 [0,2,0,0,0,0|1,0,0]=3 10262 B10R0.75 COCNCCC(=O)N(C)C 2230a_100000738053_100000766300 [0,2,0,0,0,0|1,0,0]=3 10263 B10R0.75 COCSCCC(=O)N(C)C 62a_100000737620_100000766300 [0,2,0,0,0,0|1,0,0]=3 10264 B10R0.75 COCSCCC(=O)N(C)C 62a_100000766300_100000737620 [0,2,0,0,0,0|1,0,0]=3 10265 B10R0.75 COCSCOC(=O)C(C)C 62a_100000139345_100000766300 [0,2,0,0,0,0|1,0,0]=3 10266 B10R0.75 COCSCOC(=O)C(C)C 62a_100000766300_100000139345 [0,2,0,0,0,0|1,0,0]=3 10267 B10R0.75 CSCCCCC(=O)N(C)C 62a_100000752486_200000210301 [0,2,0,0,0,0|1,0,0]=3 10268 B10R0.75 CSCCCCC(=O)N(C)C 62a_200000210301_100000752486 [0,2,0,0,0,0|1,0,0]=3 10269 B10R0.75 CSCCCNC(=O)C(C)C 11a_100000749238_100000210198 [0,2,0,0,0,0|0,0,0]=2 10270 B10R0.75 CSCCCNC(=O)C(C)C 1626a_100000749238_100000210198 [0,2,0,0,0,0|0,0,0]=2 10271 B10R0.75 CSCCCNC(=O)C(C)C 240690a_100000749238_100000210198 [0,2,0,0,0,0|0,0,0]=2 10272 B10R0.75 CSCCCNC(=O)C(C)C 527a_100000749238_100000210198 [0,2,0,0,0,0|0,0,0]=2 10273 B10R0.75 CSCCCNC(=O)C(C)F 11a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 10274 B10R0.75 CSCCCNC(=O)C(C)F 1626a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 10275 B10R0.75 CSCCCNC(=O)C(C)F 240690a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 10276 B10R0.75 CSCCCNC(=O)C(C)F 527a_100000749238_100000062450 [0,2,0,0,0,0|1,0,0]=3 10277 B10R0.75 CSCCCNC(=O)C(F)F 11a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 10278 B10R0.75 CSCCCNC(=O)C(F)F 1626a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 10279 B10R0.75 CSCCCNC(=O)C(F)F 240690a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 10280 B10R0.75 CSCCCNC(=O)C(F)F 527a_100000749238_100000210393 [0,2,0,0,0,0|2,0,0]=4 10281 B10R0.75 CSCCCNC(=O)C(O)O 240690a_100000749238_100000233687 [0,2,0,0,0,0|2,0,0]=4 10282 B10R0.75 CSCCCNC(=O)N(C)C 2708a_100000749238_100102631434 [0,2,0,0,0,0|1,0,0]=3 10283 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [0,2,0,0,0,0|1,0,0]=3 10284 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [0,2,0,0,0,0|1,0,0]=3 10285 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [0,2,0,0,0,0|1,0,0]=3 10286 B10R0.75 CSCCNCC(=O)C(C)C 2230a_100020590264_100000753385 [0,2,0,0,0,0|0,0,0]=2 10287 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100015183351_100000751147 [0,2,0,0,0,0|1,0,0]=3 10288 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100020590264_100000185267 [0,2,0,0,0,0|1,0,0]=3 10289 B10R0.75 CSCCNCC(O)C(C)C 2230a_100000759067_100000751147 [0,2,0,0,0,0|0,0,2]=4 10290 B10R0.75 CSCCNCC(O)C(C)C 34a_100000759067_100000212216 [0,2,0,0,0,0|0,0,2]=4 10291 B10R0.75 CSCCOCC(=O)C(=O)C 34a_100000230434_100011261029 [0,2,0,0,0,0|1,0,1]=4 10292 B10R0.75 CSCCOCC(=O)C(C)C 34a_100000230434_100000753385 [0,2,0,0,0,0|0,0,0]=2 10293 B10R0.75 CSCCOCC(=O)C(C)C 7a_100000230434_100000753385 [0,2,0,0,0,0|0,0,0]=2 10294 B10R0.75 CSCCOCC(=O)N(C)C 34a_100000230434_100000692301 [0,2,0,0,0,0|1,0,0]=3 10295 B10R0.75 CSCCOCC(=O)N(C)C 7a_100000230434_100000692301 [0,2,0,0,0,0|1,0,0]=3 10296 B10R0.75 CSCCOC[C@H](N)C(C)C 34a_100011830312_100000212216 [0,2,0,0,0,0|1,0,1]=4 10297 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100000212216_100011261029 [0,2,0,0,0,0|1,0,1]=4 10298 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100011261029_100000751147 [0,2,0,0,0,0|1,0,1]=4 10299 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000212216_100000753385 [0,2,0,0,0,0|0,0,0]=2 10300 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000753385_100000751147 [0,2,0,0,0,0|0,0,0]=2 10301 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000212216_100000692301 [0,2,0,0,0,0|1,0,0]=3 10302 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000692301_100000751147 [0,2,0,0,0,0|1,0,0]=3 10303 B10R0.75 CSCNCCC(=O)N(C)C 2230a_100000738053_100011218213 [0,2,0,0,0,0|1,0,0]=3 10304 B10R0.75 CSCOCCC(=O)N(C)C 34a_200000747469_100011218213 [0,2,0,0,0,0|1,0,0]=3 10305 B10R0.75 CSCOCCC(N)C(C)C 34a_100161115045_100011218213 [0,2,0,0,0,0|1,0,1]=4 10306 B10R0.75 CSCSCCC(=O)N(C)C 62a_100000737620_100011218213 [0,2,0,0,0,0|1,0,0]=3 10307 B10R0.75 CSCSCCC(=O)N(C)C 62a_100011218213_100000737620 [0,2,0,0,0,0|1,0,0]=3 10308 B10R0.75 CSCSCOC(=O)C(C)C 62a_100000139345_100011218213 [0,2,0,0,0,0|1,0,0]=3 10309 B10R0.75 CSCSCOC(=O)C(C)C 62a_100011218213_100000139345 [0,2,0,0,0,0|1,0,0]=3 10310 B10R0.75 C[C@@H](O)C(=O)CCCCC#N 1458a_100000717761_100000211819 [0,2,0,0,0,0|1,0,0]=3 10311 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,2,0,0,0,0|1,0,0]=3 10312 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,2,0,0,0,0|1,0,0]=3 10313 B10R0.75 C[C@@H](O)C(=O)CCOCC#N 1458a_100000717761_200000047693 [0,2,0,0,0,0|1,0,1]=4 10314 B10R0.75 C[C@@H](O)C(=O)CCOCCO 1458a_100000717761_100011215305 [0,2,0,0,0,0|1,0,0]=3 10315 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [0,2,0,0,0,0|1,0,0]=3 10316 B10R0.75 C[C@H](O)C(=O)CCCCC#N 1458a_217856618621_100000211819 [0,2,0,0,0,0|1,0,0]=3 10317 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,2,0,0,0,0|1,0,0]=3 10318 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,2,0,0,0,0|1,0,0]=3 10319 B10R0.75 C[C@H](O)C(=O)CCOCC#N 1458a_217856618621_200000047693 [0,2,0,0,0,0|1,0,1]=4 10320 B10R0.75 C[C@H](O)C(=O)CCOCCO 1458a_217856618621_100011215305 [0,2,0,0,0,0|1,0,0]=3 10321 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [0,2,0,0,0,0|1,0,0]=3 10322 B10R0.75 N#CCCCCC(=O)C(O)O 1458a_100000233687_100000211819 [0,2,0,0,0,0|2,0,0]=4 10323 B10R0.75 O=C(CCCCCF)C(O)O 1458a_100000233687_100000729378 [0,2,0,0,0,0|2,0,0]=4 10324 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [0,2,0,0,0,0|2,0,0]=4 10325 B10R0.75 O=C(CCOCCO)C(O)O 1458a_100000233687_100011215305 [0,2,0,0,0,0|2,0,0]=4 10326 B10R0.75 O=C(NCCCCO)C(F)F 240690a_100000750430_100000210393 [0,2,0,0,0,0|2,0,0]=4 10327 B10R0.75 O=C(NCCCCO)C(F)F 527a_100000750430_100000210393 [0,2,0,0,0,0|2,0,0]=4 10328 B10R0.75 O=C(NCCCCO)C(O)O 240690a_100000750430_100000233687 [0,2,0,0,0,0|2,0,0]=4 10329 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [0,2,0,0,0,0|0,0,2]=4 10330 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,2,0,0,0,0|0,0,2]=4 10331 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [0,2,0,0,0,0|0,0,2]=4 10332 B10R0.98 C=C(C)C(=O)CCCN(C)C 1458a_100000185857_100000695564 [0,2,0,0,0,0|0,0,2]=4 10333 B10R0.98 C=C(C)C(=O)CCOC(C)C 1458a_100000185857_100000211751 [0,2,0,0,0,0|0,0,2]=4 10334 B10R0.98 C=C(C)C(=O)CCSC(C)C 1458a_100000185857_100000730970 [0,2,0,0,0,0|0,0,2]=4 10335 B10R0.98 C=C(C)C(=O)NCCC(C)C 11a_100000210545_100000185857 [0,2,0,0,0,0|0,0,2]=4 10336 B10R0.98 C=C(C)C(=O)NCCC(C)C 1626a_100000210545_100000185857 [0,2,0,0,0,0|0,0,2]=4 10337 B10R0.98 C=C(C)CNCC(=O)N(C)C 2230a_100015183351_100000748629 [0,2,0,0,0,0|1,0,1]=4 10338 B10R0.98 C=C(C)CNNC(=O)C(C)C 22a_100000729518_100000210198 [0,2,0,0,0,0|1,0,1]=4 10339 B10R0.98 C=C(C)COCC(=O)C(C)C 34a_100000210245_100000753385 [0,2,0,0,0,0|0,0,1]=3 10340 B10R0.98 C=C(C)COCC(=O)N(C)C 34a_100000210245_100000692301 [0,2,0,0,0,0|1,0,1]=4 10341 B10R0.98 C=C(C)CSCC(=O)C(C)C 62a_100000748629_100000753385 [0,2,0,0,0,0|0,0,1]=3 10342 B10R0.98 C=C(C)CSCC(=O)C(C)C 62a_100000753385_100000211660 [0,2,0,0,0,0|0,0,1]=3 10343 B10R0.98 C=C(C)CSCC(=O)N(C)C 62a_100000692301_100000211660 [0,2,0,0,0,0|1,0,1]=4 10344 B10R0.98 C=C(C)CSCC(=O)N(C)C 62a_100000748629_100000692301 [0,2,0,0,0,0|1,0,1]=4 10345 B10R0.98 C=C(F)COCC(=O)C(C)C 34a_200010262243_100000753385 [0,2,0,0,0,0|0,0,2]=4 10346 B10R0.98 C=C(F)CSCC(=O)C(C)C 62a_100000042424_100000753385 [0,2,0,0,0,0|0,0,2]=4 10347 B10R0.98 C=C(F)CSCC(=O)C(C)C 62a_100000753385_100000042424 [0,2,0,0,0,0|0,0,2]=4 10348 B10R0.98 CC(=CCCC(=O)C(C)C)C 1458a_100000210198_100011217483 [0,2,0,0,0,0|0,0,1]=3 10349 B10R0.98 CC(=CCCC(=O)C(C)F)C 1458a_100000062450_100011217483 [0,2,0,0,0,0|1,0,1]=4 10350 B10R0.98 CC(=CCCC(=O)[C@@H](C)O)C 1458a_100000717761_100011217483 [0,2,0,0,0,0|1,0,1]=4 10351 B10R0.98 CC(=CCCC(=O)[C@H](C)O)C 1458a_217856618621_100011217483 [0,2,0,0,0,0|1,0,1]=4 10352 B10R0.98 CC(=CCNC(=O)C(C)C)C 11a_100000718196_100000210198 [0,2,0,0,0,0|0,0,2]=4 10353 B10R0.98 CC(=CCNC(=O)C(C)C)C 1626a_100000718196_100000210198 [0,2,0,0,0,0|0,0,2]=4 10354 B10R0.98 CC(=CCNC(=O)C(C)C)C 527a_100000718196_100000210198 [0,2,0,0,0,0|0,0,2]=4 10355 B10R0.98 CC(=NNCC(C)O)C(C)C 4a_200000730056_100000211110 [0,2,0,0,0,0|2,0,0]=4 10356 B10R0.98 CC(=O)C(=O)CNCC(C)C 34a_100000210953_100011261029 [0,2,0,0,0,0|1,0,1]=4 10357 B10R0.98 CC(=O)C(=O)CNCC(C)O 34a_100000210904_100011261029 [0,2,0,0,0,0|1,0,1]=4 10358 B10R0.98 CC(=O)C(=O)COCC(C)Br 34a_100012180447_100011261029 [0,2,0,0,0,0|1,0,1]=4 10359 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [0,2,0,0,0,0|1,0,1]=4 10360 B10R0.98 CC(=O)C(=O)COCC(C)F 34a_100015925927_100011261029 [0,2,0,0,0,0|1,0,1]=4 10361 B10R0.98 CC(=O)C(=O)COC[C@@H](C)Cl 34a_100016084084_100011261029 [0,2,0,0,0,0|1,0,1]=4 10362 B10R0.98 CC(=O)C(=O)COC[C@@H](C)N 34a_100000737577_100011261029 [0,2,0,0,0,0|1,0,1]=4 10363 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100000210624_100011261029 [0,2,0,0,0,0|1,0,1]=4 10364 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100011261029_100000210760 [0,2,0,0,0,0|1,0,1]=4 10365 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011218427_100011261029 [0,2,0,0,0,0|1,0,1]=4 10366 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011261029_100011218427 [0,2,0,0,0,0|1,0,1]=4 10367 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100011261029 [0,2,0,0,0,0|1,0,1]=4 10368 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100011261029_100009817552 [0,2,0,0,0,0|1,0,1]=4 10369 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,2,0,0,0,0|0,0,0]=2 10370 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,2,0,0,0,0|1,0,0]=3 10371 B10R0.98 CC(=O)CCCC(=O)C(O)O 1458a_100000233687_100011215641 [0,2,0,0,0,0|2,0,0]=4 10372 B10R0.98 CC(=O)CCCC(=O)N(C)C 1458a_100000070787_100000737642 [0,2,0,0,0,0|1,0,0]=3 10373 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,2,0,0,0,0|1,0,0]=3 10374 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,2,0,0,0,0|1,0,0]=3 10375 B10R0.98 CC(=O)CCCN(C)C(C)C 269982a_200000211004_100011215641 [0,2,0,0,0,0|2,0,0]=4 10376 B10R0.98 CC(=O)COCC(=O)C(C)C 34a_100000211253_100000753385 [0,2,0,0,0,0|0,0,1]=3 10377 B10R0.98 CC(=O)COCC(=O)N(C)C 34a_100000211253_100000692301 [0,2,0,0,0,0|1,0,1]=4 10378 B10R0.98 CC(=O)CSCC(=O)N(C)C 1458a_100000150165_200000210301 [0,2,0,0,0,0|1,0,1]=4 10379 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000183196_100000210206 [0,2,0,0,0,0|0,0,1]=3 10380 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000210198_100000189650 [0,2,0,0,0,0|0,0,1]=3 10381 B10R0.98 CC(=O)NCCC(=O)C(C)F 1458a_100000062450_100000189650 [0,2,0,0,0,0|1,0,1]=4 10382 B10R0.98 CC(=O)NCCC(=O)N(C)C 11a_100000738053_100015343762 [0,2,0,0,0,0|1,0,1]=4 10383 B10R0.98 CC(=O)NCCC(=O)N(C)C 11a_100102631434_100000183196 [0,2,0,0,0,0|1,0,1]=4 10384 B10R0.98 CC(=O)NCCC(=O)N(C)C 1626a_100102631434_100000183196 [0,2,0,0,0,0|1,0,1]=4 10385 B10R0.98 CC(=O)NCCC(=O)N(C)C 240690a_100000738053_100015343762 [0,2,0,0,0,0|1,0,1]=4 10386 B10R0.98 CC(=O)NCCC(=O)N(C)C 240690a_100102631434_100000183196 [0,2,0,0,0,0|1,0,1]=4 10387 B10R0.98 CC(=O)NCCC(=O)N(C)C 527a_100000738053_100103153847 [0,2,0,0,0,0|1,0,1]=4 10388 B10R0.98 CC(=O)NCCC(=O)N(C)C 527a_100102631434_100000183196 [0,2,0,0,0,0|1,0,1]=4 10389 B10R0.98 CC(=O)NCCC(=O)[C@@H](C)O 1458a_100000717761_100000189650 [0,2,0,0,0,0|1,0,1]=4 10390 B10R0.98 CC(=O)NCCC(=O)[C@H](C)O 1458a_217856618621_100000189650 [0,2,0,0,0,0|1,0,1]=4 10391 B10R0.98 CC(=O)OCCC(=O)C(C)C 1458a_100000210198_100009814007 [0,2,0,0,0,0|0,0,1]=3 10392 B10R0.98 CC(=O)OCCC(=O)C(C)F 1458a_100000062450_100009814007 [0,2,0,0,0,0|1,0,1]=4 10393 B10R0.98 CC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_100009814007 [0,2,0,0,0,0|1,0,1]=4 10394 B10R0.98 CC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_100009814007 [0,2,0,0,0,0|1,0,1]=4 10395 B10R0.98 CC(=O)SCCC(=O)C(C)C 1458a_100000048949_100000210206 [0,2,0,0,0,0|0,0,1]=3 10396 B10R0.98 CC(=O)SCCC(=O)N(C)C 1626a_100102631434_100000048949 [0,2,0,0,0,0|1,0,1]=4 10397 B10R0.98 CC(=O)SCCC(=O)N(C)C 240690a_100102631434_100000048949 [0,2,0,0,0,0|1,0,1]=4 10398 B10R0.98 CC(Br)COCC(=O)C(C)C 34a_100012180447_100000753385 [0,2,0,0,0,0|0,0,0]=2 10399 B10R0.98 CC(Br)COCC(=O)N(C)C 34a_100012180447_100000692301 [0,2,0,0,0,0|1,0,0]=3 10400 B10R0.98 CC(C)/C=C/CC(=O)C(C)C 1458a_100016292215_100000210206 [0,2,0,0,0,0|0,0,1]=3 10401 B10R0.98 CC(C)/C=C/CC(=O)N(C)C 11a_100102631434_100016292215 [0,2,0,0,0,0|1,0,1]=4 10402 B10R0.98 CC(C)/C=C/CC(=O)N(C)C 1626a_100102631434_100016292215 [0,2,0,0,0,0|1,0,1]=4 10403 B10R0.98 CC(C)/C=C/CC(=O)N(C)C 240690a_100102631434_100016292215 [0,2,0,0,0,0|1,0,1]=4 10404 B10R0.98 CC(C)C(=O)C=CCN(C)C 1458a_100000754359_100000210206 [0,2,0,0,0,0|0,0,2]=4 10405 B10R0.98 CC(C)C(=O)CCC=C(F)F 1458a_100000210198_200009816681 [0,2,0,0,0,0|0,0,2]=4 10406 B10R0.98 CC(C)C(=O)CCCC(=O)N 1458a_100000210198_100102525003 [0,2,0,0,0,0|0,0,1]=3 10407 B10R0.98 CC(C)C(=O)CCCN(C)C 1458a_100000210198_100000695564 [0,2,0,0,0,0|0,0,0]=2 10408 B10R0.98 CC(C)C(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210206 [0,2,0,0,0,0|1,0,0]=3 10409 B10R0.98 CC(C)C(=O)CCN=C(N)N 1458a_100000033030_100000210206 [0,2,0,0,0,0|1,0,1]=4 10410 B10R0.98 CC(C)C(=O)CCNC(=O)N 1458a_100000181464_100000210206 [0,2,0,0,0,0|1,0,1]=4 10411 B10R0.98 CC(C)C(=O)CCNC(=O)N 1458a_100000210198_200000034859 [0,2,0,0,0,0|1,0,1]=4 10412 B10R0.98 CC(C)C(=O)CCOC(=O)N 1458a_100000210198_200011214921 [0,2,0,0,0,0|1,0,1]=4 10413 B10R0.98 CC(C)C(=O)CNCC(=O)N 2230a_100000711301_100000753385 [0,2,0,0,0,0|1,0,1]=4 10414 B10R0.98 CC(C)C(=O)CNCC(=O)O 269956a_100016091260_100000753385 [0,2,0,0,0,0|1,0,1]=4 10415 B10R0.98 CC(C)C(=O)CNCC(F)F 34a_100000765723_100000753385 [0,2,0,0,0,0|1,0,0]=3 10416 B10R0.98 CC(C)C(=O)COCC(=O)N 1458a_100011219004_100000210206 [0,2,0,0,0,0|1,0,1]=4 10417 B10R0.98 CC(C)C(=O)COCC(F)F 34a_100000743014_100000753385 [0,2,0,0,0,0|1,0,0]=3 10418 B10R0.98 CC(C)C(=O)COC[C@@H](C)Cl 34a_100016084084_100000753385 [0,2,0,0,0,0|0,0,0]=2 10419 B10R0.98 CC(C)C(=O)COC[C@@H](C)N 34a_100000737577_100000753385 [0,2,0,0,0,0|0,0,0]=2 10420 B10R0.98 CC(C)C(=O)CSCC(=O)N 62a_100000747473_100000753385 [0,2,0,0,0,0|1,0,1]=4 10421 B10R0.98 CC(C)C(=O)CSCC(=O)N 62a_100000753385_100000747473 [0,2,0,0,0,0|1,0,1]=4 10422 B10R0.98 CC(C)C(=O)CSCC(=O)[O-] 62a_100000753385_100020667443 [0,2,0,0,0,0|1,0,1]=4 10423 B10R0.98 CC(C)C(=O)CSCC(=O)[O-] 62a_100020667443_100000753385 [0,2,0,0,0,0|1,0,1]=4 10424 B10R0.98 CC(C)C(=O)CSCC(F)F 62a_100000753385_100011934356 [0,2,0,0,0,0|1,0,0]=3 10425 B10R0.98 CC(C)C(=O)CSCC(F)F 62a_100011934356_100000753385 [0,2,0,0,0,0|1,0,0]=3 10426 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100000753385_100009817552 [0,2,0,0,0,0|0,0,0]=2 10427 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100009817552_100000753385 [0,2,0,0,0,0|0,0,0]=2 10428 B10R0.98 CC(C)C(=O)CSC[N+](=O)[O-] 62a_100000753385_100000761209 [0,2,0,0,0,0|2,0,0]=4 10429 B10R0.98 CC(C)C(=O)NCCC(=O)N 11a_100000740010_100000210198 [0,2,0,0,0,0|1,0,1]=4 10430 B10R0.98 CC(C)C(=O)NCCC(=O)N 240690a_100000740010_100000210198 [0,2,0,0,0,0|1,0,1]=4 10431 B10R0.98 CC(C)C(=O)NCCC(=O)N 527a_100000740010_100000210198 [0,2,0,0,0,0|1,0,1]=4 10432 B10R0.98 CC(C)C(=O)NCCN(C)C 240690a_100000210585_100000210198 [0,2,0,0,0,0|1,0,0]=3 10433 B10R0.98 CC(C)C(=O)NCCN(C)C 527a_100000210585_100000210198 [0,2,0,0,0,0|1,0,0]=3 10434 B10R0.98 CC(C)C(O)CNC[C@@H](C)O 2230a_100000759067_100009817552 [0,2,0,0,0,0|0,0,2]=4 10435 B10R0.98 CC(C)C(O)CNC[C@@H](C)O 34a_100000759067_100009817552 [0,2,0,0,0,0|0,0,2]=4 10436 B10R0.98 CC(C)C=NNC(=O)C(C)C 4a_100000184118_100000210432 [0,2,0,0,0,0|1,0,1]=4 10437 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [0,2,0,0,0,0|0,0,0]=2 10438 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [0,2,0,0,0,0|0,0,0]=2 10439 B10R0.98 CC(C)CCCC(=O)C(C)F 1458a_100000062450_100011214892 [0,2,0,0,0,0|1,0,0]=3 10440 B10R0.98 CC(C)CCCC(=O)C(O)O 1458a_100000233687_100011214892 [0,2,0,0,0,0|2,0,0]=4 10441 B10R0.98 CC(C)CCCC(=O)N(C)C 11a_100102631434_100011216857 [0,2,0,0,0,0|1,0,0]=3 10442 B10R0.98 CC(C)CCCC(=O)N(C)C 1626a_100102631434_100011216857 [0,2,0,0,0,0|1,0,0]=3 10443 B10R0.98 CC(C)CCCC(=O)N(C)C 240690a_100102631434_100011216857 [0,2,0,0,0,0|1,0,0]=3 10444 B10R0.98 CC(C)CCCC(=O)N(C)C 527a_100102631434_100011216857 [0,2,0,0,0,0|1,0,0]=3 10445 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,2,0,0,0,0|1,0,0]=3 10446 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,2,0,0,0,0|1,0,0]=3 10447 B10R0.98 CC(C)CCCN(C)C(C)C 269982a_200000211004_100011214892 [0,2,0,0,0,0|2,0,0]=4 10448 B10R0.98 CC(C)CCNC(=O)C(C)C 11a_100000210545_100000210198 [0,2,0,0,0,0|0,0,0]=2 10449 B10R0.98 CC(C)CCNC(=O)C(C)C 1626a_100000210545_100000210198 [0,2,0,0,0,0|0,0,0]=2 10450 B10R0.98 CC(C)CCNC(=O)C(C)C 240690a_100000210545_100000210198 [0,2,0,0,0,0|0,0,0]=2 10451 B10R0.98 CC(C)CCNC(=O)C(C)C 527a_100000210545_100000210198 [0,2,0,0,0,0|0,0,0]=2 10452 B10R0.98 CC(C)CCNC(=O)C(C)F 11a_100000210545_100000062450 [0,2,0,0,0,0|1,0,0]=3 10453 B10R0.98 CC(C)CCNC(=O)C(C)F 1626a_100000210545_100000062450 [0,2,0,0,0,0|1,0,0]=3 10454 B10R0.98 CC(C)CCNC(=O)C(C)F 240690a_100000210545_100000062450 [0,2,0,0,0,0|1,0,0]=3 10455 B10R0.98 CC(C)CCNC(=O)C(C)F 527a_100000210545_100000062450 [0,2,0,0,0,0|1,0,0]=3 10456 B10R0.98 CC(C)CCNC(=O)C(F)F 11a_100000210545_100000210393 [0,2,0,0,0,0|2,0,0]=4 10457 B10R0.98 CC(C)CCNC(=O)C(F)F 1626a_100000210545_100000210393 [0,2,0,0,0,0|2,0,0]=4 10458 B10R0.98 CC(C)CCNC(=O)C(F)F 240690a_100000210545_100000210393 [0,2,0,0,0,0|2,0,0]=4 10459 B10R0.98 CC(C)CCNC(=O)C(F)F 527a_100000210545_100000210393 [0,2,0,0,0,0|2,0,0]=4 10460 B10R0.98 CC(C)CCNC(=O)C(O)O 240690a_100000210545_100000233687 [0,2,0,0,0,0|2,0,0]=4 10461 B10R0.98 CC(C)CCNC(=O)N(C)C 2708a_100000210545_100102631434 [0,2,0,0,0,0|1,0,0]=3 10462 B10R0.98 CC(C)CCNC(=O)[C@@H](C)O 240690a_100000210545_100000717761 [0,2,0,0,0,0|1,0,0]=3 10463 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 1626a_100000210545_217856618621 [0,2,0,0,0,0|1,0,0]=3 10464 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 240690a_100000210545_217856618621 [0,2,0,0,0,0|1,0,0]=3 10465 B10R0.98 CC(C)CCNC(C)C(C)C 2230a_100000211541_100000210312 [0,2,0,0,0,0|1,0,1]=4 10466 B10R0.98 CC(C)CCNC(C)C(C)C 269862a_100000211541_100000185833 [0,2,0,0,0,0|1,0,1]=4 10467 B10R0.98 CC(C)CCOC(C)C(C)C 7a_100000748068_100000210626 [0,2,0,0,0,0|1,0,1]=4 10468 B10R0.98 CC(C)CNCC(=O)C(C)C 2230a_100000210953_100000753385 [0,2,0,0,0,0|0,0,0]=2 10469 B10R0.98 CC(C)CNCC(=O)C(C)C 34a_100000210953_100000753385 [0,2,0,0,0,0|0,0,0]=2 10470 B10R0.98 CC(C)CNCC(=O)N(C)C 2230a_100000210953_100000185267 [0,2,0,0,0,0|1,0,0]=3 10471 B10R0.98 CC(C)CNCC(=O)N(C)C 2230a_100015183351_100000210760 [0,2,0,0,0,0|1,0,0]=3 10472 B10R0.98 CC(C)CNCC(=O)N(C)C 270004a_100015183351_100000210432 [0,2,0,0,0,0|1,0,0]=3 10473 B10R0.98 CC(C)CNCC(=O)N(C)C 34a_100000210953_100000692301 [0,2,0,0,0,0|1,0,0]=3 10474 B10R0.98 CC(C)CNCC(O)C(C)C 2230a_100000759067_100000210760 [0,2,0,0,0,0|0,0,2]=4 10475 B10R0.98 CC(C)CNCC(O)C(C)C 270004a_100000759067_100000210432 [0,2,0,0,0,0|0,0,2]=4 10476 B10R0.98 CC(C)CNCC(O)C(C)C 34a_100000759067_100000210624 [0,2,0,0,0,0|0,0,2]=4 10477 B10R0.98 CC(C)CNNC(=O)C(C)C 22a_100000696102_100000210198 [0,2,0,0,0,0|1,0,0]=3 10478 B10R0.98 CC(C)CNNC(=O)C(C)F 22a_100000696102_100000062450 [0,2,0,0,0,0|2,0,0]=4 10479 B10R0.98 CC(C)CNNC(=O)[C@@H](C)O 22a_100000696102_100000717761 [0,2,0,0,0,0|2,0,0]=4 10480 B10R0.98 CC(C)CNNC(=O)[C@H](C)O 22a_100000696102_217856618621 [0,2,0,0,0,0|2,0,0]=4 10481 B10R0.98 CC(C)COCC(=O)C(C)C 1458a_100011223364_100000210206 [0,2,0,0,0,0|0,0,0]=2 10482 B10R0.98 CC(C)COCC(=O)C(C)C 34a_100000210257_100000753385 [0,2,0,0,0,0|0,0,0]=2 10483 B10R0.98 CC(C)COCC(=O)N(C)C 11a_100102631434_100011223364 [0,2,0,0,0,0|1,0,0]=3 10484 B10R0.98 CC(C)COCC(=O)N(C)C 1626a_100102631434_100011223364 [0,2,0,0,0,0|1,0,0]=3 10485 B10R0.98 CC(C)COCC(=O)N(C)C 240690a_100102631434_100011223364 [0,2,0,0,0,0|1,0,0]=3 10486 B10R0.98 CC(C)COCC(=O)N(C)C 34a_100000210257_100000692301 [0,2,0,0,0,0|1,0,0]=3 10487 B10R0.98 CC(C)COCC(=O)N(C)C 527a_100102631434_100011223364 [0,2,0,0,0,0|1,0,0]=3 10488 B10R0.98 CC(C)COC[C@H](N)C(C)C 34a_100011830312_100000210624 [0,2,0,0,0,0|1,0,1]=4 10489 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000210624_100000753385 [0,2,0,0,0,0|0,0,0]=2 10490 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000753385_100000210760 [0,2,0,0,0,0|0,0,0]=2 10491 B10R0.98 CC(C)CSCC(=O)N(C)C 62a_100000210624_100000692301 [0,2,0,0,0,0|1,0,0]=3 10492 B10R0.98 CC(C)CSCC(=O)N(C)C 62a_100000692301_100000210760 [0,2,0,0,0,0|1,0,0]=3 10493 B10R0.98 CC(C)N(C)CCCN(C)C 269982a_100000225831_100000210206 [0,2,0,0,0,0|2,0,0]=4 10494 B10R0.98 CC(C)N(C)CCCN(C)C 269982a_200000211004_100000757444 [0,2,0,0,0,0|2,0,0]=4 10495 B10R0.98 CC(C)NCCC(=O)N(C)C 2230a_100000738053_100000210206 [0,2,0,0,0,0|1,0,0]=3 10496 B10R0.98 CC(C)NCCC(=O)N(C)C 2230a_100138425928_100000737620 [0,2,0,0,0,0|1,0,0]=3 10497 B10R0.98 CC(C)OCCC(=O)C(C)C 1458a_100000210198_100000211751 [0,2,0,0,0,0|0,0,0]=2 10498 B10R0.98 CC(C)OCCC(=O)C(C)F 1458a_100000062450_100000211751 [0,2,0,0,0,0|1,0,0]=3 10499 B10R0.98 CC(C)OCCC(=O)C(O)O 1458a_100000233687_100000211751 [0,2,0,0,0,0|2,0,0]=4 10500 B10R0.98 CC(C)OCCC(=O)N(C)C 34a_200000747469_100000210206 [0,2,0,0,0,0|1,0,0]=3 10501 B10R0.98 CC(C)OCCC(=O)[C@@H](C)O 1458a_100000717761_100000211751 [0,2,0,0,0,0|1,0,0]=3 10502 B10R0.98 CC(C)OCCC(=O)[C@H](C)O 1458a_217856618621_100000211751 [0,2,0,0,0,0|1,0,0]=3 10503 B10R0.98 CC(C)OCCC(N)C(C)C 34a_100161115045_100000210206 [0,2,0,0,0,0|1,0,1]=4 10504 B10R0.98 CC(C)OCCN(C)C(C)C 269982a_200000211004_100000211751 [0,2,0,0,0,0|2,0,0]=4 10505 B10R0.98 CC(C)SCCC(=O)C(C)C 1458a_100000210198_100000730970 [0,2,0,0,0,0|0,0,0]=2 10506 B10R0.98 CC(C)SCCC(=O)C(C)F 1458a_100000062450_100000730970 [0,2,0,0,0,0|1,0,0]=3 10507 B10R0.98 CC(C)SCCC(=O)C(O)O 1458a_100000233687_100000730970 [0,2,0,0,0,0|2,0,0]=4 10508 B10R0.98 CC(C)SCCC(=O)N(C)C 62a_100000210206_100000737620 [0,2,0,0,0,0|1,0,0]=3 10509 B10R0.98 CC(C)SCCC(=O)N(C)C 62a_100000737620_100000210206 [0,2,0,0,0,0|1,0,0]=3 10510 B10R0.98 CC(C)SCCC(=O)[C@@H](C)O 1458a_100000717761_100000730970 [0,2,0,0,0,0|1,0,0]=3 10511 B10R0.98 CC(C)SCCC(=O)[C@H](C)O 1458a_217856618621_100000730970 [0,2,0,0,0,0|1,0,0]=3 10512 B10R0.98 CC(C)SCCN(C)C(C)C 269982a_200000211004_100000730970 [0,2,0,0,0,0|2,0,0]=4 10513 B10R0.98 CC(C)SCOC(=O)C(C)C 62a_100000139345_100000210206 [0,2,0,0,0,0|1,0,0]=3 10514 B10R0.98 CC(C)SCOC(=O)C(C)C 62a_100000210206_100000139345 [0,2,0,0,0,0|1,0,0]=3 10515 B10R0.98 CC(C)[C@@H](N)COC[C@@H](C)O 34a_100011830312_100009817552 [0,2,0,0,0,0|1,0,1]=4 10516 B10R0.98 CC(F)C(=O)CCCC(=O)N 1458a_100000062450_100102525003 [0,2,0,0,0,0|1,0,1]=4 10517 B10R0.98 CC(F)C(=O)CCCN(C)C 1458a_100000062450_100000695564 [0,2,0,0,0,0|1,0,0]=3 10518 B10R0.98 CC(F)C(=O)NCCN(C)C 240690a_100000210585_100000062450 [0,2,0,0,0,0|2,0,0]=4 10519 B10R0.98 CC(F)C(=O)NCCN(C)C 527a_100000210585_100000062450 [0,2,0,0,0,0|2,0,0]=4 10520 B10R0.98 CC(F)COCC(=O)C(C)C 34a_100015925927_100000753385 [0,2,0,0,0,0|0,0,0]=2 10521 B10R0.98 CC(F)COCC(=O)N(C)C 34a_100015925927_100000692301 [0,2,0,0,0,0|1,0,0]=3 10522 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [0,2,0,0,0,0|0,0,0]=2 10523 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [0,2,0,0,0,0|1,0,0]=3 10524 B10R0.98 CC(O)CCCC(=O)C(O)O 1458a_100000233687_200000718107 [0,2,0,0,0,0|2,0,0]=4 10525 B10R0.98 CC(O)CCCC(=O)N(C)C 1626a_100102631434_100000761597 [0,2,0,0,0,0|1,0,0]=3 10526 B10R0.98 CC(O)CCCC(=O)N(C)C 527a_100102631434_100000761597 [0,2,0,0,0,0|1,0,0]=3 10527 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [0,2,0,0,0,0|1,0,0]=3 10528 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [0,2,0,0,0,0|1,0,0]=3 10529 B10R0.98 CC(O)CCCN(C)C(C)C 269982a_200000211004_200000718107 [0,2,0,0,0,0|2,0,0]=4 10530 B10R0.98 CC(O)CCNC(=O)C(C)C 240690a_200000755665_100000210198 [0,2,0,0,0,0|0,0,0]=2 10531 B10R0.98 CC(O)CCNC(=O)C(C)C 527a_200000755665_100000210198 [0,2,0,0,0,0|0,0,0]=2 10532 B10R0.98 CC(O)CCNC(=O)C(C)F 240690a_200000755665_100000062450 [0,2,0,0,0,0|1,0,0]=3 10533 B10R0.98 CC(O)CCNC(=O)C(C)F 527a_200000755665_100000062450 [0,2,0,0,0,0|1,0,0]=3 10534 B10R0.98 CC(O)CCNC(=O)C(F)F 240690a_200000755665_100000210393 [0,2,0,0,0,0|2,0,0]=4 10535 B10R0.98 CC(O)CCNC(=O)C(F)F 527a_200000755665_100000210393 [0,2,0,0,0,0|2,0,0]=4 10536 B10R0.98 CC(O)CCNC(=O)C(O)O 240690a_200000755665_100000233687 [0,2,0,0,0,0|2,0,0]=4 10537 B10R0.98 CC(O)CCNC(=O)[C@@H](C)O 240690a_200000755665_100000717761 [0,2,0,0,0,0|1,0,0]=3 10538 B10R0.98 CC(O)CCNC(=O)[C@H](C)O 240690a_200000755665_217856618621 [0,2,0,0,0,0|1,0,0]=3 10539 B10R0.98 CC(O)CCNC(C)C(C)C 2230a_100000211541_100012276601 [0,2,0,0,0,0|1,0,1]=4 10540 B10R0.98 CC(O)CCOC(C)C(C)C 7a_100000748068_100012276601 [0,2,0,0,0,0|1,0,1]=4 10541 B10R0.98 CC(O)CNCC(=O)C(C)C 2230a_100000210904_100000753385 [0,2,0,0,0,0|0,0,0]=2 10542 B10R0.98 CC(O)CNCC(=O)C(C)C 34a_100000210904_100000753385 [0,2,0,0,0,0|0,0,0]=2 10543 B10R0.98 CC(O)CNCC(=O)N(C)C 2230a_100000210904_100000185267 [0,2,0,0,0,0|1,0,0]=3 10544 B10R0.98 CC(O)CNCC(=O)N(C)C 2230a_100015183351_100011218427 [0,2,0,0,0,0|1,0,0]=3 10545 B10R0.98 CC(O)CNCC(=O)N(C)C 34a_100000210904_100000692301 [0,2,0,0,0,0|1,0,0]=3 10546 B10R0.98 CC(O)CNCC(O)C(C)C 2230a_100000759067_100011218427 [0,2,0,0,0,0|0,0,2]=4 10547 B10R0.98 CC(O)CNCC(O)C(C)C 34a_100000759067_100011218427 [0,2,0,0,0,0|0,0,2]=4 10548 B10R0.98 CC(O)CNNC(=O)C(C)C 22a_200000730056_100000210198 [0,2,0,0,0,0|1,0,0]=3 10549 B10R0.98 CC(O)CNNC(=O)C(C)F 22a_200000730056_100000062450 [0,2,0,0,0,0|2,0,0]=4 10550 B10R0.98 CC(O)CNNC(=O)[C@@H](C)O 22a_200000730056_100000717761 [0,2,0,0,0,0|2,0,0]=4 10551 B10R0.98 CC(O)CNNC(=O)[C@H](C)O 22a_200000730056_217856618621 [0,2,0,0,0,0|2,0,0]=4 10552 B10R0.98 CC(O)COC[C@H](N)C(C)C 34a_100011830312_100011218427 [0,2,0,0,0,0|1,0,1]=4 10553 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100000753385_100011218427 [0,2,0,0,0,0|0,0,0]=2 10554 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100011218427_100000753385 [0,2,0,0,0,0|0,0,0]=2 10555 B10R0.98 CC(O)CSCC(=O)N(C)C 62a_100000692301_100011218427 [0,2,0,0,0,0|1,0,0]=3 10556 B10R0.98 CC(O)CSCC(=O)N(C)C 62a_100011218427_100000692301 [0,2,0,0,0,0|1,0,0]=3 10557 B10R0.98 CN(C)C(=O)CCC[N+](=O)[O-] 11a_100102631434_100016109205 [0,2,0,0,0,0|2,0,0]=4 10558 B10R0.98 CN(C)C(=O)CCC[N+](=O)[O-] 1626a_100102631434_100016109205 [0,2,0,0,0,0|2,0,0]=4 10559 B10R0.98 CN(C)C(=O)CCC[N+](=O)[O-] 240690a_100102631434_100016109205 [0,2,0,0,0,0|2,0,0]=4 10560 B10R0.98 CN(C)C(=O)CCC[N+](=O)[O-] 527a_100102631434_100016109205 [0,2,0,0,0,0|2,0,0]=4 10561 B10R0.98 CN(C)C(=O)CNCC(F)F 2230a_100015183351_100011934356 [0,2,0,0,0,0|2,0,0]=4 10562 B10R0.98 CN(C)C(=O)CNCC(F)F 34a_100000765723_100000692301 [0,2,0,0,0,0|2,0,0]=4 10563 B10R0.98 CN(C)C(=O)COCC(F)F 34a_100000743014_100000692301 [0,2,0,0,0,0|2,0,0]=4 10564 B10R0.98 CN(C)C(=O)CSCC(=O)[13CH3] 1458a_100000150165_200025704644 [0,2,0,0,0,0|1,0,1]=4 10565 B10R0.98 CN(C)C(=O)CSCC(F)F 62a_100000692301_100011934356 [0,2,0,0,0,0|2,0,0]=4 10566 B10R0.98 CN(C)C(=O)CSCC(F)F 62a_100011934356_100000692301 [0,2,0,0,0,0|2,0,0]=4 10567 B10R0.98 CN(C)CCCC(=O)C(O)O 1458a_100000233687_100000695564 [0,2,0,0,0,0|2,0,0]=4 10568 B10R0.98 CN(C)CCCC(=O)N(C)C 11a_100102631434_100000740757 [0,2,0,0,0,0|1,0,0]=3 10569 B10R0.98 CN(C)CCCC(=O)N(C)C 2230a_100102631434_100000737642 [0,2,0,0,0,0|1,0,0]=3 10570 B10R0.98 CN(C)CCCC(=O)N(C)C 240690a_100102631434_100000740757 [0,2,0,0,0,0|1,0,0]=3 10571 B10R0.98 CN(C)CCCC(=O)N(C)C 269982a_100102631434_100000737642 [0,2,0,0,0,0|1,0,0]=3 10572 B10R0.98 C[C@@H](Cl)COCC(=O)N(C)C 34a_100016084084_100000692301 [0,2,0,0,0,0|1,0,0]=3 10573 B10R0.98 C[C@@H](N)COCC(=O)N(C)C 34a_100000737577_100000692301 [0,2,0,0,0,0|1,0,0]=3 10574 B10R0.98 C[C@@H](O)C(=O)CCCC(=O)N 1458a_100000717761_100102525003 [0,2,0,0,0,0|1,0,1]=4 10575 B10R0.98 C[C@@H](O)C(=O)CCCN(C)C 1458a_100000717761_100000695564 [0,2,0,0,0,0|1,0,0]=3 10576 B10R0.98 C[C@@H](O)C(=O)NCCN(C)C 240690a_100000210585_100000717761 [0,2,0,0,0,0|2,0,0]=4 10577 B10R0.98 C[C@@H](O)CNCC(=O)N(C)C 2230a_100015183351_100009817552 [0,2,0,0,0,0|1,0,0]=3 10578 B10R0.98 C[C@@H](O)CSCC(=O)N(C)C 62a_100000692301_100009817552 [0,2,0,0,0,0|1,0,0]=3 10579 B10R0.98 C[C@@H](O)CSCC(=O)N(C)C 62a_100009817552_100000692301 [0,2,0,0,0,0|1,0,0]=3 10580 B10R0.98 C[C@H](O)C(=O)CCCC(=O)N 1458a_217856618621_100102525003 [0,2,0,0,0,0|1,0,1]=4 10581 B10R0.98 C[C@H](O)C(=O)CCCN(C)C 1458a_217856618621_100000695564 [0,2,0,0,0,0|1,0,0]=3 10582 B10R0.98 C[C@H](O)C(=O)NCCN(C)C 240690a_100000210585_217856618621 [0,2,0,0,0,0|2,0,0]=4 10583 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [1,0,0,1,0,0|2,0,0]=4 10584 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [1,0,0,1,0,0|2,0,0]=4 10585 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [1,0,0,1,0,0|2,0,0]=4 10586 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [1,0,0,1,0,0|2,0,0]=4 10587 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,0,0,1,0,0|2,0,0]=4 10588 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|1,0,0]=3 10589 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,0,0,1,0,0|2,0,0]=4 10590 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,0,0,1,0,0|2,0,0]=4 10591 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|1,0,0]=3 10592 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,0,0,1,0,0|2,0,0]=4 10593 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [1,0,0,1,0,0|2,0,0]=4 10594 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [1,0,0,1,0,0|2,0,0]=4 10595 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [1,0,0,1,0,0|2,0,0]=4 10596 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [1,0,0,1,0,0|2,0,0]=4 10597 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [1,0,0,1,0,0|2,0,0]=4 10598 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [1,0,0,1,0,0|2,0,0]=4 10599 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [1,0,0,1,0,0|2,0,0]=4 10600 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [1,0,0,1,0,0|2,0,0]=4 10601 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [1,0,0,1,0,0|2,0,0]=4 10602 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [1,0,0,1,0,0|2,0,0]=4 10603 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [1,0,0,1,0,0|2,0,0]=4 10604 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [1,0,0,1,0,0|2,0,0]=4 10605 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [1,0,0,1,0,0|2,0,0]=4 10606 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [1,0,0,1,0,0|2,0,0]=4 10607 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [1,0,0,1,0,0|2,0,0]=4 10608 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [1,0,0,1,0,0|2,0,0]=4 10609 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,0,0,1,0,0|2,0,0]=4 10610 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,0,0,1,0,0|2,0,0]=4 10611 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,0,0,1,0,0|2,0,0]=4 10612 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,0,0,1,0,0|2,0,0]=4 10613 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,0,0,1,0,0|2,0,0]=4 10614 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,0,0,1,0,0|2,0,0]=4 10615 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [1,0,0,1,0,0|2,0,0]=4 10616 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [1,0,0,1,0,0|1,0,0]=3 10617 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [1,0,0,1,0,0|1,0,0]=3 10618 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [1,0,0,1,0,0|1,0,0]=3 10619 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [1,0,0,1,0,0|2,0,0]=4 10620 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [1,0,0,1,0,0|2,0,0]=4 10621 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [1,0,0,1,0,0|2,0,0]=4 10622 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [1,0,0,1,0,0|2,0,0]=4 10623 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [1,0,0,1,0,0|2,0,0]=4 10624 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [1,0,0,1,0,0|2,0,0]=4 10625 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [1,0,0,1,0,0|2,0,0]=4 10626 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [1,0,0,1,0,0|2,0,0]=4 10627 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [1,0,0,1,0,0|0,0,2]=4 10628 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [1,0,0,1,0,0|0,0,2]=4 10629 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|0,0,0]=2 10630 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|0,0,0]=2 10631 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [1,0,0,1,0,0|1,0,0]=3 10632 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [1,0,0,1,0,0|1,0,0]=3 10633 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [1,0,0,1,0,0|1,0,0]=3 10634 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [1,0,0,1,0,0|1,0,0]=3 10635 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [1,0,0,1,0,0|1,0,0]=3 10636 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [1,0,0,1,0,0|1,0,0]=3 10637 B8R1.38 CCN(C)C1CCC1 2230a_100000758072_100000210202 [1,0,0,1,0,0|2,0,0]=4 10638 B8R1.38 CCN(C)C1CCC1 2230a_100000758130_200000210301 [1,0,0,1,0,0|2,0,0]=4 10639 B8R1.38 CCN(C)C1CCC1 269982a_100000225621_100000749161 [1,0,0,1,0,0|2,0,0]=4 10640 B8R1.38 CCN(C)C1CCC1 269982a_100000758072_100000204670 [1,0,0,1,0,0|2,0,0]=4 10641 B8R1.38 CCN(C)C1CCC1 269982a_100000758130_200000210301 [1,0,0,1,0,0|2,0,0]=4 10642 B8R1.38 CCN(C)C1CCC1 34a_100000758072_100000210202 [1,0,0,1,0,0|2,0,0]=4 10643 B8R1.38 CCN([13CH3])C1CCC1 2230a_100000758130_200025704644 [1,0,0,1,0,0|2,0,0]=4 10644 B8R1.38 CCN([13CH3])C1CCC1 269982a_100000758130_200025704644 [1,0,0,1,0,0|2,0,0]=4 10645 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [1,0,0,1,0,0|1,0,0]=3 10646 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 10647 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 10648 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 10649 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [1,0,0,1,0,0|2,0,0]=4 10650 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 10651 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 10652 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 10653 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [1,0,0,1,0,0|2,0,0]=4 10654 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 10655 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 10656 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 10657 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 10658 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 10659 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [1,0,0,1,0,0|1,0,0]=3 10660 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [1,0,0,1,0,0|2,0,0]=4 10661 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [1,0,0,1,0,0|2,0,0]=4 10662 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [1,0,0,1,0,0|1,0,0]=3 10663 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [1,0,0,1,0,0|2,0,0]=4 10664 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [1,0,0,1,0,0|2,0,0]=4 10665 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [1,0,0,1,0,0|2,0,0]=4 10666 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [1,0,0,1,0,0|0,0,2]=4 10667 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [1,0,0,1,0,0|0,0,2]=4 10668 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|0,0,0]=2 10669 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|0,0,0]=2 10670 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|1,0,0]=3 10671 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|1,0,0]=3 10672 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|1,0,0]=3 10673 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 10674 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 10675 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 10676 B8R1.40 CCN(C)CC1CC1 2230a_100000225621_100000742324 [1,0,0,1,0,0|2,0,0]=4 10677 B8R1.40 CCN(C)CC1CC1 2230a_100000741881_100000210202 [1,0,0,1,0,0|2,0,0]=4 10678 B8R1.40 CCN(C)CC1CC1 269982a_100000225621_100000756562 [1,0,0,1,0,0|2,0,0]=4 10679 B8R1.40 CCN(C)CC1CC1 269982a_100000741881_100000204670 [1,0,0,1,0,0|2,0,0]=4 10680 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [1,0,0,1,0,0|1,0,0]=3 10681 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 10682 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 10683 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 10684 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [1,0,0,1,0,0|2,0,0]=4 10685 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 10686 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 10687 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 10688 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 10689 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [1,0,0,1,0,0|1,0,0]=3 10690 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|1,0,0]=3 10691 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [1,0,0,1,0,0|2,0,0]=4 10692 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [1,0,0,1,0,0|2,0,0]=4 10693 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [1,0,0,1,0,0|2,0,0]=4 10694 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [1,0,0,1,0,0|2,0,0]=4 10695 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [1,0,0,1,0,0|2,0,0]=4 10696 B8R1.47 CCC1CN(C1)CC 2230a_100015205115_100000210202 [1,0,0,1,0,0|2,0,0]=4 10697 B8R1.47 CCC1CN(C1)CC 269982a_100015205115_100000204670 [1,0,0,1,0,0|2,0,0]=4 10698 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [1,0,0,1,0,0|1,0,0]=3 10699 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|0,0,0]=2 10700 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [1,0,0,1,0,0|1,0,0]=3 10701 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [1,0,0,1,0,0|1,0,0]=3 10702 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [1,0,0,1,0,0|1,0,0]=3 10703 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [1,0,0,1,0,0|1,0,0]=3 10704 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [1,0,0,1,0,0|2,0,0]=4 10705 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 10706 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 10707 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [1,0,0,1,0,0|2,0,0]=4 10708 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [1,0,0,1,0,0|2,0,0]=4 10709 B8R1.83 O=C(CF)[C@@H]1C[C@@H]1F 1458a_100015396687_100015361967 [1,0,0,1,0,0|2,0,0]=4 10710 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [1,0,0,1,0,0|1,0,1]=4 10711 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [1,0,0,1,0,0|1,0,1]=4 10712 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [1,0,0,1,0,0|1,0,1]=4 10713 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [1,0,0,1,0,0|1,0,1]=4 10714 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [1,0,0,1,0,0|1,0,1]=4 10715 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [1,0,0,1,0,0|1,0,1]=4 10716 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [1,0,0,1,0,0|2,0,0]=4 10717 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [1,0,0,1,0,0|2,0,0]=4 10718 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [1,0,0,1,0,0|2,0,0]=4 10719 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [1,0,0,1,0,0|2,0,0]=4 10720 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [1,0,0,1,0,0|2,0,0]=4 10721 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [1,0,0,1,0,0|2,0,0]=4 10722 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [1,0,0,1,0,0|1,0,1]=4 10723 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [1,0,0,1,0,0|1,0,1]=4 10724 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [1,0,0,1,0,0|1,0,1]=4 10725 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [1,0,0,1,0,0|1,0,1]=4 10726 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [1,0,0,1,0,0|1,0,1]=4 10727 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [1,0,0,1,0,0|1,0,1]=4 10728 B8R1.6 CCCN1CC(C1)C 2230a_100000702820_100000210303 [1,0,0,1,0,0|1,0,1]=4 10729 B8R1.6 CCCN1CC(C1)C 269982a_100000702820_100000210303 [1,0,0,1,0,0|1,0,1]=4 10730 B8R1.6 CCCN1CC(C1)C 34a_100000702820_100000210303 [1,0,0,1,0,0|1,0,1]=4 10731 B8R1.7 CC(C)N1CCCC1 2230a_100000188435_100000210206 [1,0,0,1,0,0|1,0,0]=3 10732 B8R1.7 CC(C)N1CCCC1 269982a_100000188435_100000210206 [1,0,0,1,0,0|1,0,0]=3 10733 B8R1.7 CC(C)N1CCSC1 2230a_100011215254_100000210206 [1,0,0,1,0,0|2,0,0]=4 10734 B8R1.7 CC(C)N1CCSC1 269982a_100011215254_100000210206 [1,0,0,1,0,0|2,0,0]=4 10735 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [1,0,0,1,0,0|1,0,1]=4 10736 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [1,0,0,1,0,0|1,0,1]=4 10737 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [1,0,0,1,0,0|1,0,1]=4 10738 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [1,0,0,1,0,0|1,0,1]=4 10739 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [1,0,0,1,0,0|1,0,1]=4 10740 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [1,0,0,1,0,0|1,0,1]=4 10741 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [1,0,0,1,0,0|1,0,1]=4 10742 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [1,0,0,1,0,0|1,0,1]=4 10743 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [1,0,0,1,0,0|1,0,1]=4 10744 B8R1.19 CC1(CCCN1[13CH3])C 2230a_100000761399_200025704644 [1,0,0,1,0,0|1,0,1]=4 10745 B8R1.19 CC1(CCCN1[13CH3])C 269982a_100000761399_200025704644 [1,0,0,1,0,0|1,0,1]=4 10746 B8R1.19 CC1(CCCN1[13CH3])C 34a_100000761399_200025704644 [1,0,0,1,0,0|1,0,1]=4 10747 B8R1.19 CC1(SCCN1[13CH3])C 2230a_100011217261_200025704644 [1,0,0,1,0,0|2,0,0]=4 10748 B8R1.19 CC1(SCCN1[13CH3])C 269982a_100011217261_200025704644 [1,0,0,1,0,0|2,0,0]=4 10749 B8R1.19 CC1(SCCN1[13CH3])C 34a_100011217261_200025704644 [1,0,0,1,0,0|2,0,0]=4 10750 B8R1.19 CN1CCCC1(C)C 2230a_100000761399_200000210301 [1,0,0,1,0,0|1,0,1]=4 10751 B8R1.19 CN1CCCC1(C)C 269982a_100000761399_200000210301 [1,0,0,1,0,0|1,0,1]=4 10752 B8R1.19 CN1CCCC1(C)C 34a_100000761399_200000210301 [1,0,0,1,0,0|1,0,1]=4 10753 B8R1.19 CN1CCSC1(C)C 2230a_100011217261_200000210301 [1,0,0,1,0,0|2,0,0]=4 10754 B8R1.19 CN1CCSC1(C)C 269982a_100011217261_200000210301 [1,0,0,1,0,0|2,0,0]=4 10755 B8R1.19 CN1CCSC1(C)C 34a_100011217261_200000210301 [1,0,0,1,0,0|2,0,0]=4 10756 B8R1.20 CC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000210206 [1,0,0,1,0,0|2,0,0]=4 10757 B8R1.20 CC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100000210206 [1,0,0,1,0,0|2,0,0]=4 10758 B8R1.20 CC(C)N[C@@H]1C[C@H]1F 34a_100025746932_100000210206 [1,0,0,1,0,0|2,0,0]=4 10759 B8R1.27 CC1(CC1CO[13CH3])C 34a_100000728257_200025704644 [1,0,0,1,0,0|1,0,1]=4 10760 B8R1.27 CC1(CC1CO[13CH3])C 7a_100000728257_200025704644 [1,0,0,1,0,0|1,0,1]=4 10761 B8R1.27 CC1(OC1CO[13CH3])C 34a_200010283642_200025704644 [1,0,0,1,0,0|2,0,0]=4 10762 B8R1.27 CC1(OC1CO[13CH3])C 7a_200010283642_200025704644 [1,0,0,1,0,0|2,0,0]=4 10763 B8R1.27 COCC1CC1(C)C 34a_100000728257_200000210301 [1,0,0,1,0,0|1,0,1]=4 10764 B8R1.27 COCC1CC1(C)C 7a_100000728257_200000210301 [1,0,0,1,0,0|1,0,1]=4 10765 B8R1.27 COCC1OC1(C)C 34a_200010283642_200000210301 [1,0,0,1,0,0|2,0,0]=4 10766 B8R1.27 COCC1OC1(C)C 7a_200010283642_200000210301 [1,0,0,1,0,0|2,0,0]=4 10767 B8R1.31 CC(C)N1CCC1C 269982a_100000755817_100000210206 [1,0,0,1,0,0|1,0,0]=3 10768 B8R1.31 CC(C)N1CCC1C 34a_100000755817_100000210206 [1,0,0,1,0,0|1,0,0]=3 10769 B8R1.34 CC(C)CN1CCC1 269982a_100000754969_100000210624 [1,0,0,1,0,0|1,0,1]=4 10770 B8R1.34 CC(C)NC1CCC1 2230a_100000749019_100000210206 [1,0,0,1,0,0|1,0,0]=3 10771 B8R1.34 CC(C)NC1CCC1 34a_100000749019_100000210206 [1,0,0,1,0,0|1,0,0]=3 10772 B8R1.34 CC(C)NC1CCC1 34a_100138425928_100000749161 [1,0,0,1,0,0|1,0,0]=3 10773 B8R1.34 CC(C)NC1COC1 2230a_100016991112_100000210206 [1,0,0,1,0,0|2,0,0]=4 10774 B8R1.34 CC(C)NC1COC1 34a_100138425928_100009818527 [1,0,0,1,0,0|2,0,0]=4 10775 B8R1.34 CC(C)OC1CCC1 34a_100000212225_100000749161 [1,0,0,1,0,0|1,0,0]=3 10776 B8R1.34 CC(C)OC1CCC1 34a_100000748187_100000210206 [1,0,0,1,0,0|1,0,0]=3 10777 B8R1.34 CC(C)OC1COC1 34a_100000212225_100009818527 [1,0,0,1,0,0|2,0,0]=4 10778 B8R1.34 CC(C)OC1CSC1 7a_100000072292_100000210206 [1,0,0,1,0,0|2,0,0]=4 10779 B8R1.34 CC(C)SC1CCC1 62a_100000210206_100000749161 [1,0,0,1,0,0|1,0,0]=3 10780 B8R1.34 CC(C)SC1COC1 62a_100000210206_100009818527 [1,0,0,1,0,0|2,0,0]=4 10781 B8R1.34 CN(C)CC1CCC1 2230a_100102631434_100000763275 [1,0,0,1,0,0|1,0,1]=4 10782 B8R1.34 CN(C)CC1CCC1 2230a_200000750244_200000210301 [1,0,0,1,0,0|1,0,1]=4 10783 B8R1.34 CN(C)CC1CCC1 269982a_100102631434_100000763275 [1,0,0,1,0,0|1,0,1]=4 10784 B8R1.34 CN(C)CC1CCC1 269982a_200000750244_200000210301 [1,0,0,1,0,0|1,0,1]=4 10785 B8R1.34 CN(C)CC1CCC1 34a_200000750244_200000210301 [1,0,0,1,0,0|1,0,1]=4 10786 B8R1.34 CN([13CH3])CC1CCC1 2230a_200000750244_200025704644 [1,0,0,1,0,0|1,0,1]=4 10787 B8R1.34 CN([13CH3])CC1CCC1 269982a_200000750244_200025704644 [1,0,0,1,0,0|1,0,1]=4 10788 B8R1.34 CN([13CH3])CC1CCC1 34a_200000750244_200025704644 [1,0,0,1,0,0|1,0,1]=4 10789 B8R1.35 CC(C)CNC1CC1 34a_100000210953_100000211595 [1,0,0,1,0,0|1,0,1]=4 10790 B8R1.35 CC(C)CNC1CC1 34a_100000212008_100000210624 [1,0,0,1,0,0|1,0,1]=4 10791 B8R1.35 CC(C)COC1CC1 34a_100000210257_100000211595 [1,0,0,1,0,0|1,0,1]=4 10792 B8R1.35 CC(C)CSC1CC1 62a_100000210624_100000211595 [1,0,0,1,0,0|1,0,1]=4 10793 B8R1.35 CC(C)NCC1CC1 2230a_100000735609_100000210206 [1,0,0,1,0,0|1,0,0]=3 10794 B8R1.35 CC(C)NCC1CC1 2230a_100138425928_100000742324 [1,0,0,1,0,0|1,0,0]=3 10795 B8R1.35 CC(C)NCC1CC1 34a_100000735609_100000210206 [1,0,0,1,0,0|1,0,0]=3 10796 B8R1.35 CC(C)NCC1CC1 34a_100138425928_100000742324 [1,0,0,1,0,0|1,0,0]=3 10797 B8R1.35 CC(C)NCC1CO1 2230a_100138425928_100011216344 [1,0,0,1,0,0|2,0,0]=4 10798 B8R1.35 CC(C)NCC1CO1 34a_100138425928_102125554688 [1,0,0,1,0,0|2,0,0]=4 10799 B8R1.35 CC(C)OCC1CC1 34a_100000211283_100000210206 [1,0,0,1,0,0|1,0,0]=3 10800 B8R1.35 CC(C)OCC1CC1 34a_100000212225_100000742324 [1,0,0,1,0,0|1,0,0]=3 10801 B8R1.35 CC(C)OCC1CO1 34a_100000212225_102125554688 [1,0,0,1,0,0|2,0,0]=4 10802 B8R1.35 CC(C)OC[C@@H]1CO1 34a_100000757423_100000210206 [1,0,0,1,0,0|2,0,0]=4 10803 B8R1.35 CC(C)SCC1CC1 62a_100000210206_100000742324 [1,0,0,1,0,0|1,0,0]=3 10804 B8R1.35 CC(C)SCC1CC1 62a_100000756562_100000210206 [1,0,0,1,0,0|1,0,0]=3 10805 B8R1.35 CC(C)SCC1CO1 62a_100000210206_102125554688 [1,0,0,1,0,0|2,0,0]=4 10806 B8R1.35 CC(C)SCC1CO1 62a_102125554688_100000210206 [1,0,0,1,0,0|2,0,0]=4 10807 B8R1.35 CC(C)SCC1CS1 62a_100000031435_100000210206 [1,0,0,1,0,0|2,0,0]=4 10808 B8R1.35 CC(C)SCC1CS1 62a_100000210206_100000031435 [1,0,0,1,0,0|2,0,0]=4 10809 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000210206_100000745022 [1,0,0,1,0,0|2,0,0]=4 10810 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000745022_100000210206 [1,0,0,1,0,0|2,0,0]=4 10811 B8R1.35 CN(C)CCC1CC1 2230a_100102631434_100000694398 [1,0,0,1,0,0|1,0,1]=4 10812 B8R1.35 CN(C)CCC1CC1 269982a_100102631434_100000694398 [1,0,0,1,0,0|1,0,1]=4 10813 B8R1.36 BrCCCOC1CC1 34a_100011217188_100000211595 [1,0,0,1,0,0|2,0,0]=4 10814 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [1,0,0,1,0,0|1,0,0]=3 10815 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [1,0,0,1,0,0|1,0,0]=3 10816 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [1,0,0,1,0,0|1,0,0]=3 10817 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [1,0,0,1,0,0|1,0,1]=4 10818 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [1,0,0,1,0,0|1,0,1]=4 10819 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [1,0,0,1,0,0|1,0,1]=4 10820 B8R1.36 CCCOCC1CC1 34a_100000210258_100000742324 [1,0,0,1,0,0|1,0,1]=4 10821 B8R1.36 CCCOCC1CC1 34a_100000211283_100000210303 [1,0,0,1,0,0|1,0,1]=4 10822 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [1,0,0,1,0,0|1,0,1]=4 10823 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [1,0,0,1,0,0|1,0,1]=4 10824 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [1,0,0,1,0,0|1,0,1]=4 10825 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [1,0,0,1,0,0|1,0,1]=4 10826 B8R1.36 CCNN=CC1CC1 4a_100000756455_100000741477 [1,0,0,1,0,0|2,0,0]=4 10827 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 10828 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [1,0,0,1,0,0|1,0,1]=4 10829 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 10830 B8R1.36 CCOCSC1CC1 62a_100000739092_100000211595 [1,0,0,1,0,0|2,0,0]=4 10831 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [1,0,0,1,0,0|1,0,1]=4 10832 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [1,0,0,1,0,0|1,0,1]=4 10833 B8R1.36 COCCNC1CC1 34a_100000212008_100011201679 [1,0,0,1,0,0|2,0,0]=4 10834 B8R1.36 COCCNC1CC1 34a_100000738766_200000210301 [1,0,0,1,0,0|2,0,0]=4 10835 B8R1.36 COCCOC1CC1 34a_100000210237_100000211595 [1,0,0,1,0,0|2,0,0]=4 10836 B8R1.36 COCCSC1CC1 62a_100000233755_100000211595 [1,0,0,1,0,0|2,0,0]=4 10837 B8R1.36 CSCCNC1CC1 34a_100000212008_100000212216 [1,0,0,1,0,0|2,0,0]=4 10838 B8R1.36 CSCCOC1CC1 34a_100000230434_100000211595 [1,0,0,1,0,0|2,0,0]=4 10839 B8R1.36 CSCCSC1CC1 62a_100000212216_100000211595 [1,0,0,1,0,0|2,0,0]=4 10840 B8R1.36 ClCCCOC1CC1 34a_100000230001_100000211595 [1,0,0,1,0,0|2,0,0]=4 10841 B8R1.36 FCCCNC1CC1 34a_100000212008_100011934791 [1,0,0,1,0,0|2,0,0]=4 10842 B8R1.36 FCCCNC1CC1 34a_100015189416_100000211595 [1,0,0,1,0,0|2,0,0]=4 10843 B8R1.36 FCCCOC1CC1 34a_100000759539_100000211595 [1,0,0,1,0,0|2,0,0]=4 10844 B8R1.36 FCCCSC1CC1 62a_100011934791_100000211595 [1,0,0,1,0,0|2,0,0]=4 10845 B8R1.36 NCCCOC1CC1 34a_100000182051_100000211595 [1,0,0,1,0,0|2,0,0]=4 10846 B8R1.36 OCCCNC1CC1 34a_100000212008_100000230001 [1,0,0,1,0,0|2,0,0]=4 10847 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [1,0,0,1,0,0|2,0,0]=4 10848 B8R1.36 [13CH3]OCCNC1CC1 34a_100000738766_200025704644 [1,0,0,1,0,0|2,0,0]=4 10849 B8R1.23 CC1CN(C1)C(C)C 2230a_100000702820_100000210206 [1,0,0,1,0,0|2,0,0]=4 10850 B8R1.23 CC1CN(C1)C(C)C 269982a_100000702820_100000210206 [1,0,0,1,0,0|2,0,0]=4 10851 B8R1.23 CC1CN(C1)C(C)C 34a_100000702820_100000210206 [1,0,0,1,0,0|2,0,0]=4 10852 B8R1.37 C#CCC(=O)C1CC1 1458a_100000210395_100000184674 [1,0,0,1,0,0|0,0,2]=4 10853 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [1,0,0,1,0,0|0,0,2]=4 10854 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [1,0,0,1,0,0|0,0,0]=2 10855 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [1,0,0,1,0,0|1,0,0]=3 10856 B8R1.37 CCCN(C)C1CC1 2230a_100000226674_100000210303 [1,0,0,1,0,0|2,0,0]=4 10857 B8R1.37 CCCN(C)C1CC1 2230a_100000765834_200000210301 [1,0,0,1,0,0|2,0,0]=4 10858 B8R1.37 CCCN(C)C1CC1 269982a_100000226674_100000210303 [1,0,0,1,0,0|2,0,0]=4 10859 B8R1.37 CCCN(C)C1CC1 269982a_100000747261_100000211595 [1,0,0,1,0,0|2,0,0]=4 10860 B8R1.37 CCCN(C)C1CC1 269982a_100000765834_200000210301 [1,0,0,1,0,0|2,0,0]=4 10861 B8R1.37 CCCN([13CH3])C1CC1 2230a_100000765834_200025704644 [1,0,0,1,0,0|2,0,0]=4 10862 B8R1.37 CCCN([13CH3])C1CC1 269982a_100000765834_200025704644 [1,0,0,1,0,0|2,0,0]=4 10863 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 10864 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 10865 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 10866 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 10867 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 10868 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 10869 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [1,0,0,1,0,0|1,0,0]=3 10870 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [1,0,0,1,0,0|1,0,0]=3 10871 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [1,0,0,1,0,0|1,0,0]=3 10872 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [1,0,0,1,0,0|2,0,0]=4 10873 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [1,0,0,1,0,0|1,0,0]=3 10874 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [1,0,0,1,0,0|1,0,0]=3 10875 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [1,0,0,1,0,0|1,0,0]=3 10876 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [1,0,0,1,0,0|1,0,0]=3 10877 B8R1.37 N#CCC(=O)C1CC1 1458a_100000210395_100011214920 [1,0,0,1,0,0|1,0,1]=4 10878 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [1,0,0,1,0,0|1,0,0]=3 10879 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [1,0,0,1,0,0|2,0,0]=4 10880 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [1,0,0,1,0,0|1,0,0]=3 10881 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [1,0,0,1,0,0|2,0,0]=4 10882 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [1,0,0,1,0,0|1,0,0]=3 10883 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [1,0,0,1,0,0|1,0,0]=3 10884 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [1,0,0,1,0,0|1,0,0]=3 10885 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [1,0,0,1,0,0|0,0,0]=2 10886 B8R1.54 CC(C)C(=O)C1CO1 1458a_100000701028_100000210206 [1,0,0,1,0,0|1,0,0]=3 10887 B8R1.54 CC(C)N(C)C1CC1 2230a_100000226674_100000210206 [1,0,0,1,0,0|2,0,0]=4 10888 B8R1.54 CC(C)N(C)C1CC1 2230a_100000226676_200000210301 [1,0,0,1,0,0|2,0,0]=4 10889 B8R1.54 CC(C)N(C)C1CC1 269982a_100000226674_100000210206 [1,0,0,1,0,0|2,0,0]=4 10890 B8R1.54 CC(C)N(C)C1CC1 269982a_100000226676_200000210301 [1,0,0,1,0,0|2,0,0]=4 10891 B8R1.54 CC(C)N(C)C1CC1 269982a_200000211004_100000211595 [1,0,0,1,0,0|2,0,0]=4 10892 B8R1.54 CC(C)N(C)C1CC1 34a_100000226676_200000210301 [1,0,0,1,0,0|2,0,0]=4 10893 B8R1.54 CC(C)N([13CH3])C1CC1 2230a_100000226676_200025704644 [1,0,0,1,0,0|2,0,0]=4 10894 B8R1.54 CC(C)N([13CH3])C1CC1 269982a_100000226676_200025704644 [1,0,0,1,0,0|2,0,0]=4 10895 B8R1.54 CC(C)N([13CH3])C1CC1 34a_100000226676_200025704644 [1,0,0,1,0,0|2,0,0]=4 10896 B8R1.54 CN(C)C(=O)C1CC1 11a_100102631434_100000210395 [1,0,0,1,0,0|1,0,0]=3 10897 B8R1.54 CN(C)C(=O)C1CC1 1626a_100102631434_100000210395 [1,0,0,1,0,0|1,0,0]=3 10898 B8R1.54 CN(C)C(=O)C1CC1 240690a_100102631434_100000210395 [1,0,0,1,0,0|1,0,0]=3 10899 B8R1.54 CN(C)C(=O)C1CC1 527a_100102631434_100000210395 [1,0,0,1,0,0|1,0,0]=3 10900 B8R1.54 CN(C)C(=O)C1CO1 11a_100102631434_100000701028 [1,0,0,1,0,0|2,0,0]=4 10901 B8R1.54 CN(C)C(=O)C1CO1 1626a_100102631434_100000701028 [1,0,0,1,0,0|2,0,0]=4 10902 B8R1.54 CN(C)C(=O)C1CO1 240690a_100102631434_100000701028 [1,0,0,1,0,0|2,0,0]=4 10903 B8R1.54 CN(C)C(=O)C1CO1 527a_100102631434_100000701028 [1,0,0,1,0,0|2,0,0]=4 10904 B10R1.16 CCCCN1CC[C@H](C1)C 2230a_100016987628_100000210211 [0,0,0,1,0,1|2,0,0]=4 10905 B10R1.16 CCCCN1CC[C@H](C1)C 269982a_100016987628_100000210211 [0,0,0,1,0,1|2,0,0]=4 10906 B10R1.16 CCCCN1CC[C@H](C1)C 34a_100016987628_100000210210 [0,0,0,1,0,1|2,0,0]=4 10907 B10R1.18 CC(C)NC1CCCCC1 2230a_100000182618_100000210206 [0,0,0,1,0,1|1,0,1]=4 10908 B10R1.18 CC(C)NC1CCCCC1 34a_100000182618_100000210206 [0,0,0,1,0,1|1,0,1]=4 10909 B10R1.18 CC(C)NC1CCCCC1 34a_100138425928_100000210327 [0,0,0,1,0,1|1,0,1]=4 10910 B10R1.18 CC(C)OC1CCCCC1 34a_100000210231_100000210206 [0,0,0,1,0,1|1,0,1]=4 10911 B10R1.18 CC(C)OC1CCCCC1 34a_100000212225_100000210327 [0,0,0,1,0,1|1,0,1]=4 10912 B10R1.18 CC(C)OC1CCCCC1 7a_100000210231_100000210206 [0,0,0,1,0,1|1,0,1]=4 10913 B10R1.18 CC(C)OC1CCCCO1 34a_100000033831_100000210206 [0,0,0,1,0,1|0,0,2]=4 10914 B10R1.18 CC(C)SC1CCCCC1 62a_100000210206_100000210327 [0,0,0,1,0,1|1,0,1]=4 10915 B10R1.18 CC(C)SC1CCCCC1 62a_100000210327_100000210206 [0,0,0,1,0,1|1,0,1]=4 10916 B10R1.54 CC(C)CN1CC[C@H](C1)C 2230a_100016987628_100000210760 [0,0,0,1,0,1|2,0,0]=4 10917 B10R1.54 CC(C)CN1CC[C@H](C1)C 269982a_100016987628_100000210624 [0,0,0,1,0,1|2,0,0]=4 10918 B10R1.54 CC(C)CN1CC[C@H](C1)C 270004a_100016987628_100000210432 [0,0,0,1,0,1|2,0,0]=4 10919 B10R1.54 CC(C)CN1CC[C@H](C1)C 34a_100016987628_100000210624 [0,0,0,1,0,1|2,0,0]=4 10920 B10R1.54 CC1CCC(C1)OC(C)C 34a_100000698185_100000210206 [0,0,0,1,0,1|1,0,1]=4 10921 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,0,0,1,0,1|1,0,1]=4 10922 B10R1.61 CC(C)C1CCCCN1C 2230a_100000757267_200000210301 [0,0,0,1,0,1|2,0,0]=4 10923 B10R1.61 CC(C)C1CCCCN1C 269982a_100000757267_200000210301 [0,0,0,1,0,1|2,0,0]=4 10924 B10R1.61 CC(C)C1CCCCN1C 34a_100000757267_200000210301 [0,0,0,1,0,1|2,0,0]=4 10925 B10R1.61 CC(C)C1CCCCN1[13CH3] 2230a_100000757267_200025704644 [0,0,0,1,0,1|2,0,0]=4 10926 B10R1.61 CC(C)C1CCCCN1[13CH3] 269982a_100000757267_200025704644 [0,0,0,1,0,1|2,0,0]=4 10927 B10R1.61 CC(C)C1CCCCN1[13CH3] 34a_100000757267_200025704644 [0,0,0,1,0,1|2,0,0]=4 10928 B10R1.61 CC(C)N1CCCCC1C 2230a_100000211376_100000210206 [0,0,0,1,0,1|1,0,1]=4 10929 B10R1.61 CC(C)N1CCCCC1C 269982a_100000211376_100000210206 [0,0,0,1,0,1|1,0,1]=4 10930 B10R1.61 CC(C)N1CCCCC1C 34a_100000211376_100000210206 [0,0,0,1,0,1|1,0,1]=4 10931 B10R1.61 CN(C)C1CCCCC1=O 269982a_100102631434_100000204591 [0,0,0,1,0,1|1,0,0]=3 10932 B10R1.61 CN(C)C1CCCNC1=O 2230a_100102631434_100000687798 [0,0,0,1,0,1|2,0,0]=4 10933 B10R1.61 CN(C)C1CCCNC1=O 269982a_100102631434_100000687798 [0,0,0,1,0,1|2,0,0]=4 10934 B10R1.110 C=C(C)CC(=O)C1CC1C 1458a_100000211227_100000748629 [0,0,0,1,0,1|0,0,2]=4 10935 B10R1.110 CC(C)CC(=O)C1CC1C 1458a_100000211227_100000210624 [0,0,0,1,0,1|0,0,0]=2 10936 B10R1.110 CC(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210624 [0,0,0,1,0,1|1,0,0]=3 10937 B10R1.110 CC(C)NC(=O)C1CC1C 11a_100138425928_100000211227 [0,0,0,1,0,1|0,0,0]=2 10938 B10R1.110 CC(C)NC(=O)C1CC1C 1626a_100138425928_100000211227 [0,0,0,1,0,1|0,0,0]=2 10939 B10R1.110 CC(C)NC(=O)C1CC1C 527a_100138425928_100000211227 [0,0,0,1,0,1|0,0,0]=2 10940 B10R1.110 CC(C)NC(=O)[C@@H]1C[C@@H]1F 11a_100138425928_100015396687 [0,0,0,1,0,1|1,0,0]=3 10941 B10R1.110 CC(C)NC(=O)[C@@H]1C[C@@H]1F 240690a_100138425928_100015396687 [0,0,0,1,0,1|1,0,0]=3 10942 B10R1.110 CC(C)NC(=O)[C@@H]1C[C@@H]1F 527a_100138425928_100015396687 [0,0,0,1,0,1|1,0,0]=3 10943 B10R1.110 CC(O)CC(=O)C1CC1C 1458a_100000211227_100011218427 [0,0,0,1,0,1|1,0,0]=3 10944 B10R1.110 CC(O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011218427 [0,0,0,1,0,1|2,0,0]=4 10945 B10R1.110 CC1CC1C(=O)CC(F)F 1458a_100000211227_100011934356 [0,0,0,1,0,1|2,0,0]=4 10946 B10R1.130 CC1CC(C(=O)O1)SCF 62a_100015361967_200000216747 [0,0,0,1,0,1|2,0,0]=4 10947 B10R1.130 CC1CC(C(=O)O1)SCF 62a_200000216747_100015361967 [0,0,0,1,0,1|2,0,0]=4 10948 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [0,0,0,1,0,1|1,0,0]=3 10949 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [0,0,0,1,0,1|1,0,0]=3 10950 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [0,0,0,1,0,1|1,0,0]=3 10951 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [0,0,0,1,0,1|1,0,0]=3 10952 B10R1.168 CCC1CN(C1)CC(C)C 2230a_100015205115_100000210760 [0,0,0,1,0,1|2,0,0]=4 10953 B10R1.168 CCC1CN(C1)CC(C)C 269982a_100015205115_100000210624 [0,0,0,1,0,1|2,0,0]=4 10954 B10R1.168 CCC1CN(C1)CC(C)C 270004a_100015205115_100000210432 [0,0,0,1,0,1|2,0,0]=4 10955 B10R1.180 C#CCCC(=O)CC1CC1 1458a_100000692101_100000742324 [0,0,0,1,0,1|0,0,2]=4 10956 B10R1.180 C#CCCC(=O)CC1CC1 1458a_100000738066_100000753159 [0,0,0,1,0,1|0,0,2]=4 10957 B10R1.180 C#CCCC(=O)NC1CC1 1626a_100000212008_100000692101 [0,0,0,1,0,1|0,0,2]=4 10958 B10R1.180 C#CCCC(=O)NC1CC1 240690a_100000212008_100000692101 [0,0,0,1,0,1|0,0,2]=4 10959 B10R1.180 C#CCCC(=O)NC1CC1 527a_100000212008_100000692101 [0,0,0,1,0,1|0,0,2]=4 10960 B10R1.180 C/C=C/CC(=O)CC1CC1 1458a_100000738066_100102629194 [0,0,0,1,0,1|0,0,2]=4 10961 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000738066_100000754431 [0,0,0,1,0,1|0,0,2]=4 10962 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000749702_100000742324 [0,0,0,1,0,1|0,0,2]=4 10963 B10R1.180 C=CCCC(=O)NC1CC1 1626a_100000212008_100000749702 [0,0,0,1,0,1|0,0,2]=4 10964 B10R1.180 C=CCCC(=O)NC1CC1 240690a_100000212008_100000749702 [0,0,0,1,0,1|0,0,2]=4 10965 B10R1.180 C=CCCC(=O)NC1CC1 527a_100000212008_100000749702 [0,0,0,1,0,1|0,0,2]=4 10966 B10R1.180 CC#CCC(=O)CC1CC1 1458a_100000738066_100000748600 [0,0,0,1,0,1|0,0,2]=4 10967 B10R1.180 CC=CCC(=O)CC1CC1 1458a_100000738066_100000070051 [0,0,0,1,0,1|0,0,2]=4 10968 B10R1.180 CC=CCC(=O)CC1CC1 1458a_100121576822_100000742324 [0,0,0,1,0,1|0,0,2]=4 10969 B10R1.180 CC=CCC(=O)NC1CC1 1626a_100000212008_100121576822 [0,0,0,1,0,1|0,0,2]=4 10970 B10R1.180 CC=CCC(=O)NC1CC1 240690a_100000212008_100121576822 [0,0,0,1,0,1|0,0,2]=4 10971 B10R1.180 CC=CCC(=O)NC1CC1 527a_100000212008_100121576822 [0,0,0,1,0,1|0,0,2]=4 10972 B10R1.180 CCC#CC(=O)CC1CC1 1458a_100011827653_100000742324 [0,0,0,1,0,1|0,0,2]=4 10973 B10R1.180 CCC=CC(=O)CC1CC1 1458a_100000212282_100000742324 [0,0,0,1,0,1|0,0,2]=4 10974 B10R1.180 CCC=CC(=O)NC1CC1 1626a_100000212008_100000212282 [0,0,0,1,0,1|0,0,2]=4 10975 B10R1.180 CCC=CC(=O)NC1CC1 240690a_100000212008_100000212282 [0,0,0,1,0,1|0,0,2]=4 10976 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000210183_100000742324 [0,0,0,1,0,1|0,0,0]=2 10977 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000738066_100000210211 [0,0,0,1,0,1|0,0,0]=2 10978 B10R1.180 CCCCC(=O)CC1CO1 1458a_100000210183_100011216344 [0,0,0,1,0,1|1,0,0]=3 10979 B10R1.180 CCCCC(=O)CC1CS1 1458a_100000210183_100000031435 [0,0,0,1,0,1|1,0,0]=3 10980 B10R1.180 CCCCC(=O)C[C@@H]1CO1 1458a_100000210183_100000745022 [0,0,0,1,0,1|1,0,0]=3 10981 B10R1.180 CCCCC(=O)NC1CC1 1626a_100000212008_100000210183 [0,0,0,1,0,1|0,0,0]=2 10982 B10R1.180 CCCCC(=O)NC1CC1 240690a_100000212008_100000210183 [0,0,0,1,0,1|0,0,0]=2 10983 B10R1.180 CCCCC(=O)NC1CC1 527a_100000212008_100000210183 [0,0,0,1,0,1|0,0,0]=2 10984 B10R1.180 CCCCC(C)NC1CC1 34a_100000212008_200011215066 [0,0,0,1,0,1|1,0,1]=4 10985 B10R1.180 CCCCC(C)OC1CC1 34a_100000687866_100000211595 [0,0,0,1,0,1|1,0,1]=4 10986 B10R1.180 CCCCC(C)SC1CC1 62a_200011215066_100000211595 [0,0,0,1,0,1|1,0,1]=4 10987 B10R1.180 CCCCN(C)CC1CC1 2230a_100000207549_100000742324 [0,0,0,1,0,1|2,0,0]=4 10988 B10R1.180 CCCCN(C)CC1CC1 2230a_100000741881_100000210211 [0,0,0,1,0,1|2,0,0]=4 10989 B10R1.180 CCCCN(C)CC1CC1 269982a_100000207549_100000756562 [0,0,0,1,0,1|2,0,0]=4 10990 B10R1.180 CCCCN(C)CC1CC1 269982a_100000741881_100000210211 [0,0,0,1,0,1|2,0,0]=4 10991 B10R1.180 CCCNC(=O)CC1CC1 11a_100020643023_100000738066 [0,0,0,1,0,1|1,0,0]=3 10992 B10R1.180 CCCNC(=O)CC1CC1 1626a_100020643023_100000738066 [0,0,0,1,0,1|1,0,0]=3 10993 B10R1.180 CCCNC(=O)CC1CC1 240690a_100020643023_100000738066 [0,0,0,1,0,1|1,0,0]=3 10994 B10R1.180 CCCNC(=O)CC1CC1 527a_100020643023_100000738066 [0,0,0,1,0,1|1,0,0]=3 10995 B10R1.180 CCCNC(=O)NC1CC1 2708a_100000212008_100020643023 [0,0,0,1,0,1|1,0,0]=3 10996 B10R1.180 CCCNC(=O)NC1CC1 2708a_100020643023_100000212008 [0,0,0,1,0,1|1,0,0]=3 10997 B10R1.180 CCCNC(=O)NC1CC1 273464a_100000212008_100020643023 [0,0,0,1,0,1|1,0,0]=3 10998 B10R1.180 CCCNC(=O)NC1CC1 273464a_100020643023_100000212008 [0,0,0,1,0,1|1,0,0]=3 10999 B10R1.180 CCCNC(=O)NC1CC1 512a_100000212008_100020643023 [0,0,0,1,0,1|1,0,0]=3 11000 B10R1.180 CCNCC(=O)NC1CC1 2230a_100000702991_100000210202 [0,0,0,1,0,1|1,0,0]=3 11001 B10R1.180 CCNCC(=O)NC1CC1 2230a_100015525214_100000182950 [0,0,0,1,0,1|1,0,0]=3 11002 B10R1.180 CCNNC(=O)CC1CC1 22a_100000756455_100000738066 [0,0,0,1,0,1|2,0,0]=4 11003 B10R1.180 CCNNC(=O)NC1CC1 273464a_100000212008_100000756455 [0,0,0,1,0,1|2,0,0]=4 11004 B10R1.180 CCNNC(=O)NC1CC1 512a_100000212008_100000756455 [0,0,0,1,0,1|2,0,0]=4 11005 B10R1.180 CCOCC(=O)CC1CC1 1458a_100000211967_100000742324 [0,0,0,1,0,1|1,0,0]=3 11006 B10R1.180 CCOCC(=O)CC1CO1 1458a_100000211967_100011216344 [0,0,0,1,0,1|2,0,0]=4 11007 B10R1.180 CCOCC(=O)CC1CS1 1458a_100000211967_100000031435 [0,0,0,1,0,1|2,0,0]=4 11008 B10R1.180 CCOCC(=O)C[C@@H]1CO1 1458a_100000211967_100000745022 [0,0,0,1,0,1|2,0,0]=4 11009 B10R1.180 CCOCC(=O)NC1CC1 1626a_100000212008_100000211967 [0,0,0,1,0,1|1,0,0]=3 11010 B10R1.180 CCOCC(=O)NC1CC1 240690a_100000212008_100000211967 [0,0,0,1,0,1|1,0,0]=3 11011 B10R1.180 CCOCC(=O)NC1CC1 34a_100121572206_100000182950 [0,0,0,1,0,1|1,0,0]=3 11012 B10R1.180 CCOCC(=O)NC1CC1 527a_100000212008_100000211967 [0,0,0,1,0,1|1,0,0]=3 11013 B10R1.180 CCSCC(=O)CC1CC1 1458a_100000230394_100000742324 [0,0,0,1,0,1|1,0,0]=3 11014 B10R1.180 CCSCC(=O)CC1CO1 1458a_100000230394_100011216344 [0,0,0,1,0,1|2,0,0]=4 11015 B10R1.180 CCSCC(=O)CC1CS1 1458a_100000230394_100000031435 [0,0,0,1,0,1|2,0,0]=4 11016 B10R1.180 CCSCC(=O)C[C@@H]1CO1 1458a_100000230394_100000745022 [0,0,0,1,0,1|2,0,0]=4 11017 B10R1.180 CCSCC(=O)NC1CC1 1626a_100000212008_100000230394 [0,0,0,1,0,1|1,0,0]=3 11018 B10R1.180 CCSCC(=O)NC1CC1 240690a_100000212008_100000230394 [0,0,0,1,0,1|1,0,0]=3 11019 B10R1.180 CCSCC(=O)NC1CC1 527a_100000212008_100000230394 [0,0,0,1,0,1|1,0,0]=3 11020 B10R1.180 CCSCC(=O)NC1CC1 62a_100000182950_100000210202 [0,0,0,1,0,1|1,0,0]=3 11021 B10R1.180 CCSCC(=O)NC1CC1 62a_100000210202_100000182950 [0,0,0,1,0,1|1,0,0]=3 11022 B10R1.180 CNCCC(=O)NC1CC1 2230a_106832991635_100000737409 [0,0,0,1,0,1|1,0,0]=3 11023 B10R1.180 CNCCC(=O)NC1CC1 34a_100102657272_100000737409 [0,0,0,1,0,1|1,0,0]=3 11024 B10R1.180 COCCC(=O)CC1CC1 1458a_100000738066_100000233755 [0,0,0,1,0,1|1,0,0]=3 11025 B10R1.180 COCCC(=O)CC1CC1 1458a_100000749529_100000742324 [0,0,0,1,0,1|1,0,0]=3 11026 B10R1.180 COCCC(=O)CC1CO1 1458a_100000749529_100011216344 [0,0,0,1,0,1|2,0,0]=4 11027 B10R1.180 COCCC(=O)CC1CS1 1458a_100000749529_100000031435 [0,0,0,1,0,1|2,0,0]=4 11028 B10R1.180 COCCC(=O)C[C@@H]1CO1 1458a_100000749529_100000745022 [0,0,0,1,0,1|2,0,0]=4 11029 B10R1.180 COCCC(=O)NC1CC1 1626a_100000212008_100000749529 [0,0,0,1,0,1|1,0,0]=3 11030 B10R1.180 COCCC(=O)NC1CC1 240690a_100000212008_100000749529 [0,0,0,1,0,1|1,0,0]=3 11031 B10R1.180 COCCC(=O)NC1CC1 34a_100138415774_100000737409 [0,0,0,1,0,1|1,0,0]=3 11032 B10R1.180 COCCC(=O)NC1CC1 527a_100000212008_100000749529 [0,0,0,1,0,1|1,0,0]=3 11033 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000174002_100000742324 [0,0,0,1,0,1|1,0,0]=3 11034 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000738066_100000751147 [0,0,0,1,0,1|1,0,0]=3 11035 B10R1.180 CSCCC(=O)CC1CO1 1458a_100000174002_100011216344 [0,0,0,1,0,1|2,0,0]=4 11036 B10R1.180 CSCCC(=O)CC1CS1 1458a_100000174002_100000031435 [0,0,0,1,0,1|2,0,0]=4 11037 B10R1.180 CSCCC(=O)C[C@@H]1CO1 1458a_100000174002_100000745022 [0,0,0,1,0,1|2,0,0]=4 11038 B10R1.180 CSCCC(=O)NC1CC1 1626a_100000212008_100000174002 [0,0,0,1,0,1|1,0,0]=3 11039 B10R1.180 CSCCC(=O)NC1CC1 240690a_100000212008_100000174002 [0,0,0,1,0,1|1,0,0]=3 11040 B10R1.180 CSCCC(=O)NC1CC1 527a_100000212008_100000174002 [0,0,0,1,0,1|1,0,0]=3 11041 B10R1.180 CSCCC(=O)NC1CC1 62a_100000737409_200000210301 [0,0,0,1,0,1|1,0,0]=3 11042 B10R1.180 CSCCC(=O)NC1CC1 62a_200000210301_100000737409 [0,0,0,1,0,1|1,0,0]=3 11043 B10R1.180 N#CCCC(=O)CC1CC1 1458a_100000738066_100011215226 [0,0,0,1,0,1|1,0,1]=4 11044 B10R1.180 N#CCCC(=O)CC1CC1 1458a_100011934036_100000742324 [0,0,0,1,0,1|1,0,1]=4 11045 B10R1.180 N#CCCC(=O)NC1CC1 1626a_100000212008_100011934036 [0,0,0,1,0,1|1,0,1]=4 11046 B10R1.180 N#CCCC(=O)NC1CC1 240690a_100000212008_100011934036 [0,0,0,1,0,1|1,0,1]=4 11047 B10R1.180 N#CCCC(=O)NC1CC1 527a_100000212008_100011934036 [0,0,0,1,0,1|1,0,1]=4 11048 B10R1.180 O=C(CC1CC1)NCCF 11a_100000724931_100000738066 [0,0,0,1,0,1|2,0,0]=4 11049 B10R1.180 O=C(CC1CC1)NCCF 1626a_100000724931_100000738066 [0,0,0,1,0,1|2,0,0]=4 11050 B10R1.180 O=C(CC1CC1)NCCF 240690a_100000724931_100000738066 [0,0,0,1,0,1|2,0,0]=4 11051 B10R1.180 O=C(CC1CC1)NCCF 527a_100000724931_100000738066 [0,0,0,1,0,1|2,0,0]=4 11052 B10R1.180 O=C(CC1CC1)NCCO 240690a_100000210304_100000738066 [0,0,0,1,0,1|2,0,0]=4 11053 B10R1.180 O=C(CC1CC1)NCCO 527a_100000210304_100000738066 [0,0,0,1,0,1|2,0,0]=4 11054 B10R1.180 O=C(CCCF)CC1CC1 1458a_100000738066_100011934791 [0,0,0,1,0,1|1,0,0]=3 11055 B10R1.180 O=C(CCCO)CC1CC1 1458a_100000738066_100011215043 [0,0,0,1,0,1|1,0,0]=3 11056 B10R1.180 O=C(CSCF)NC1CC1 62a_100000182950_100015361967 [0,0,0,1,0,1|2,0,0]=4 11057 B10R1.180 O=C(CSCF)NC1CC1 62a_100015361967_100000182950 [0,0,0,1,0,1|2,0,0]=4 11058 B10R1.180 O=C(NCCF)NC1CC1 2708a_100000212008_100000724931 [0,0,0,1,0,1|2,0,0]=4 11059 B10R1.180 O=C(NCCF)NC1CC1 273464a_100000212008_100000724931 [0,0,0,1,0,1|2,0,0]=4 11060 B10R1.180 O=C(NCCF)NC1CC1 273464a_100000724931_100000212008 [0,0,0,1,0,1|2,0,0]=4 11061 B10R1.180 O=C(NCCF)NC1CC1 512a_100000212008_100000724931 [0,0,0,1,0,1|2,0,0]=4 11062 B10R1.180 O=C(NCCO)NC1CC1 2708a_100000212008_100000210304 [0,0,0,1,0,1|2,0,0]=4 11063 B10R1.180 O=C(NCCO)NC1CC1 273464a_100000210304_100000212008 [0,0,0,1,0,1|2,0,0]=4 11064 B10R1.180 O=C(NCCO)NC1CC1 273464a_100000212008_100000210304 [0,0,0,1,0,1|2,0,0]=4 11065 B10R1.180 O=C(NCCO)NC1CC1 512a_100000212008_100000210304 [0,0,0,1,0,1|2,0,0]=4 11066 B10R1.180 [13CH3]SCCC(=O)NC1CC1 62a_100000737409_200025704644 [0,0,0,1,0,1|1,0,0]=3 11067 B10R1.180 [13CH3]SCCC(=O)NC1CC1 62a_200025704644_100000737409 [0,0,0,1,0,1|1,0,0]=3 11068 B10R1.192 CC(C)N1C(CCC1C)C 2230a_100000687148_100000210206 [0,0,0,1,0,1|1,0,1]=4 11069 B10R1.192 CC(C)N1C(CCC1C)C 269982a_100000687148_100000210206 [0,0,0,1,0,1|1,0,1]=4 11070 B10R1.192 CC(C)N1C(CCC1C)C 34a_100000687148_100000210206 [0,0,0,1,0,1|1,0,1]=4 11071 B10R1.218 CCCCN1CC(C1)(C)C 2230a_100000753659_100000210211 [0,0,0,1,0,1|2,0,0]=4 11072 B10R1.218 CCCCN1CC(C1)(C)C 269982a_100000753659_100000210211 [0,0,0,1,0,1|2,0,0]=4 11073 B10R1.266 C=C(C)CC(=O)C1CCC1 1458a_100000209988_100000748629 [0,0,0,1,0,1|0,0,2]=4 11074 B10R1.266 CC(=CC(=O)C1CCC1)C 1458a_100000211388_100000749161 [0,0,0,1,0,1|0,0,1]=3 11075 B10R1.266 CC(=CC(=O)C1CCC1)Cl 1458a_200042562850_100000749161 [0,0,0,1,0,1|1,0,1]=4 11076 B10R1.266 CC(=CC(=O)C1CCC1)I 1458a_100025716642_100000749161 [0,0,0,1,0,1|1,0,1]=4 11077 B10R1.266 CC(=CC(=O)C1COC1)C 1458a_100000211388_100000687716 [0,0,0,1,0,1|1,0,1]=4 11078 B10R1.266 CC(=CC(=O)N1CCC1)C 11a_100000754969_100000211388 [0,0,0,1,0,1|1,0,1]=4 11079 B10R1.266 CC(=CC(=O)N1CCC1)C 240690a_100000754969_100000211388 [0,0,0,1,0,1|1,0,1]=4 11080 B10R1.266 CC(=O)CC(=O)C1CCC1 1458a_100000070787_100000686122 [0,0,0,1,0,1|1,0,1]=4 11081 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000209988_100000210624 [0,0,0,1,0,1|0,0,0]=2 11082 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000210554_100000749161 [0,0,0,1,0,1|0,0,0]=2 11083 B10R1.266 CC(C)CC(=O)C1CCO1 1458a_100000089072_100000210624 [0,0,0,1,0,1|1,0,0]=3 11084 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000210554_100000687716 [0,0,0,1,0,1|1,0,0]=3 11085 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000758290_100000210624 [0,0,0,1,0,1|1,0,0]=3 11086 B10R1.266 CC(C)CC(=O)N1CCC1 11a_100000754969_100000210554 [0,0,0,1,0,1|1,0,0]=3 11087 B10R1.266 CC(C)CC(=O)N1CCC1 240690a_100000754969_100000210554 [0,0,0,1,0,1|1,0,0]=3 11088 B10R1.266 CC(C)CC(=O)N1CCC1 527a_100000754969_100000210554 [0,0,0,1,0,1|1,0,0]=3 11089 B10R1.266 CC(C)CN(C)C1CCC1 2230a_100000758072_100000210760 [0,0,0,1,0,1|2,0,0]=4 11090 B10R1.266 CC(C)CN(C)C1CCC1 269982a_100000747067_100000749161 [0,0,0,1,0,1|2,0,0]=4 11091 B10R1.266 CC(C)CN(C)C1CCC1 269982a_100000758072_100000210624 [0,0,0,1,0,1|2,0,0]=4 11092 B10R1.266 CC(C)CN(C)C1CCC1 270004a_100000747067_100000241760 [0,0,0,1,0,1|2,0,0]=4 11093 B10R1.266 CC(C)CN(C)C1CCC1 270004a_100000758072_100000210432 [0,0,0,1,0,1|2,0,0]=4 11094 B10R1.266 CC(C)CN(C)C1CCC1 34a_100000758072_100000210624 [0,0,0,1,0,1|2,0,0]=4 11095 B10R1.266 CC(C)NC(=O)C1CCC1 11a_100138425928_100000209988 [0,0,0,1,0,1|0,0,0]=2 11096 B10R1.266 CC(C)NC(=O)C1CCC1 1626a_100138425928_100000209988 [0,0,0,1,0,1|0,0,0]=2 11097 B10R1.266 CC(C)NC(=O)C1CCC1 240690a_100138425928_100000209988 [0,0,0,1,0,1|0,0,0]=2 11098 B10R1.266 CC(C)NC(=O)C1CCC1 527a_100138425928_100000209988 [0,0,0,1,0,1|0,0,0]=2 11099 B10R1.266 CC(C)NC(=O)C1CCO1 11a_100138425928_100000089072 [0,0,0,1,0,1|1,0,0]=3 11100 B10R1.266 CC(C)NC(=O)C1CCO1 1626a_100138425928_100000089072 [0,0,0,1,0,1|1,0,0]=3 11101 B10R1.266 CC(C)NC(=O)C1CCO1 240690a_100138425928_100000089072 [0,0,0,1,0,1|1,0,0]=3 11102 B10R1.266 CC(C)NC(=O)C1CCO1 527a_100138425928_100000089072 [0,0,0,1,0,1|1,0,0]=3 11103 B10R1.266 CC(C)NC(=O)C1COC1 11a_100138425928_100000758290 [0,0,0,1,0,1|1,0,0]=3 11104 B10R1.266 CC(C)NC(=O)C1COC1 1626a_100138425928_100000758290 [0,0,0,1,0,1|1,0,0]=3 11105 B10R1.266 CC(C)NC(=O)C1COC1 240690a_100138425928_100000758290 [0,0,0,1,0,1|1,0,0]=3 11106 B10R1.266 CC(C)NC(=O)C1COC1 527a_100138425928_100000758290 [0,0,0,1,0,1|1,0,0]=3 11107 B10R1.266 CC(C)NC(=O)N1CCC1 2708a_100138425928_100000754969 [0,0,0,1,0,1|1,0,0]=3 11108 B10R1.266 CC(C)NC(=O)N1CCC1 273464a_100138425928_100000754969 [0,0,0,1,0,1|1,0,0]=3 11109 B10R1.266 CC(C)NC(C)C1CCC1 2230a_100016994624_100000210206 [0,0,0,1,0,1|1,0,1]=4 11110 B10R1.266 CC(C)NC(C)C1CCC1 34a_100016994624_100000210206 [0,0,0,1,0,1|1,0,1]=4 11111 B10R1.266 CC(C)OC(C)C1CCC1 34a_100000766398_100000210206 [0,0,0,1,0,1|1,0,1]=4 11112 B10R1.266 CC(C)OC(C)C1CCC1 7a_100000766398_100000210206 [0,0,0,1,0,1|1,0,1]=4 11113 B10R1.266 CC(O)CC(=O)C1CCC1 1458a_100000209988_100011218427 [0,0,0,1,0,1|1,0,0]=3 11114 B10R1.266 CC(O)CC(=O)C1CCO1 1458a_100000089072_100011218427 [0,0,0,1,0,1|2,0,0]=4 11115 B10R1.266 CC(O)CC(=O)C1COC1 1458a_100000758290_100011218427 [0,0,0,1,0,1|2,0,0]=4 11116 B10R1.266 CN(C)CC(=O)C1CCC1 1458a_100000750896_100000749161 [0,0,0,1,0,1|1,0,0]=3 11117 B10R1.266 CN(C)CC(=O)C1CCC1 2230a_100102631434_100000686122 [0,0,0,1,0,1|1,0,0]=3 11118 B10R1.266 CN(C)CC(=O)C1CCC1 269982a_100102631434_100000686122 [0,0,0,1,0,1|1,0,0]=3 11119 B10R1.266 CN(C)CC(=O)C1COC1 1458a_100000750896_100000687716 [0,0,0,1,0,1|2,0,0]=4 11120 B10R1.266 CN(C)CC(=O)N1CCC1 11a_100000754969_100000750896 [0,0,0,1,0,1|2,0,0]=4 11121 B10R1.266 CN(C)CC(=O)N1CCC1 2230a_100102631434_100000185095 [0,0,0,1,0,1|2,0,0]=4 11122 B10R1.266 CN(C)CC(=O)N1CCC1 240690a_100000754969_100000750896 [0,0,0,1,0,1|2,0,0]=4 11123 B10R1.266 CN(C)CC(=O)N1CCC1 269982a_100102631434_100000185095 [0,0,0,1,0,1|2,0,0]=4 11124 B10R1.266 CN(C)CC(=O)N1CCC1 527a_100000754969_100000750896 [0,0,0,1,0,1|2,0,0]=4 11125 B10R1.266 C[C@@H](O)CC(=O)C1CCC1 1458a_100011933948_100000749161 [0,0,0,1,0,1|1,0,0]=3 11126 B10R1.266 C[C@@H](O)CC(=O)C1COC1 1458a_100011933948_100000687716 [0,0,0,1,0,1|2,0,0]=4 11127 B10R1.266 C[C@@H](O)CC(=O)N1CCC1 240690a_100000754969_100011933948 [0,0,0,1,0,1|2,0,0]=4 11128 B10R1.266 C[S+](C)CC(=O)C1CCC1 1458a_200159257847_100000749161 [0,0,0,1,0,1|1,0,0]=3 11129 B10R1.266 C[S+](C)CC(=O)C1COC1 1458a_200159257847_100000687716 [0,0,0,1,0,1|2,0,0]=4 11130 B10R1.266 C[S+](C)CC(=O)N1CCC1 11a_100000754969_200159257847 [0,0,0,1,0,1|2,0,0]=4 11131 B10R1.266 C[S+](C)CC(=O)N1CCC1 240690a_100000754969_200159257847 [0,0,0,1,0,1|2,0,0]=4 11132 B10R1.266 C[S+](C)CC(=O)N1CCC1 527a_100000754969_200159257847 [0,0,0,1,0,1|2,0,0]=4 11133 B10R1.266 O=C(CC(F)F)C1CCC1 1458a_100000209988_100011934356 [0,0,0,1,0,1|2,0,0]=4 11134 B10R1.268 C=C(C)CC(=O)CC1CC1 1458a_100000738066_100000748629 [0,0,0,1,0,1|0,0,2]=4 11135 B10R1.268 CC(=CC(=O)CC1CC1)C 1458a_100000211388_100000742324 [0,0,0,1,0,1|0,0,1]=3 11136 B10R1.268 CC(=CC(=O)CC1CC1)Cl 1458a_200042562850_100000742324 [0,0,0,1,0,1|1,0,1]=4 11137 B10R1.268 CC(=CC(=O)CC1CC1)I 1458a_100025716642_100000742324 [0,0,0,1,0,1|1,0,1]=4 11138 B10R1.268 CC(=CC(=O)CC1CO1)C 1458a_100000211388_100011216344 [0,0,0,1,0,1|1,0,1]=4 11139 B10R1.268 CC(=CC(=O)CC1CS1)C 1458a_100000211388_100000031435 [0,0,0,1,0,1|1,0,1]=4 11140 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)C 1458a_100000211388_100000745022 [0,0,0,1,0,1|1,0,1]=4 11141 B10R1.268 CC(=CC(=O)NC1CC1)C 1626a_100000212008_100000211388 [0,0,0,1,0,1|1,0,1]=4 11142 B10R1.268 CC(=CC(=O)NC1CC1)C 240690a_100000212008_100000211388 [0,0,0,1,0,1|1,0,1]=4 11143 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000210554_100000742324 [0,0,0,1,0,1|0,0,0]=2 11144 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000738066_100000210624 [0,0,0,1,0,1|0,0,0]=2 11145 B10R1.268 CC(C)CC(=O)CC1CO1 1458a_100000210554_100011216344 [0,0,0,1,0,1|1,0,0]=3 11146 B10R1.268 CC(C)CC(=O)CC1CS1 1458a_100000210554_100000031435 [0,0,0,1,0,1|1,0,0]=3 11147 B10R1.268 CC(C)CC(=O)C[C@@H]1CO1 1458a_100000210554_100000745022 [0,0,0,1,0,1|1,0,0]=3 11148 B10R1.268 CC(C)CC(=O)NC1CC1 1626a_100000212008_100000210554 [0,0,0,1,0,1|1,0,0]=3 11149 B10R1.268 CC(C)CC(=O)NC1CC1 240690a_100000212008_100000210554 [0,0,0,1,0,1|1,0,0]=3 11150 B10R1.268 CC(C)CC(=O)NC1CC1 527a_100000212008_100000210554 [0,0,0,1,0,1|1,0,0]=3 11151 B10R1.268 CC(C)CN(C)CC1CC1 2230a_100000741881_100000210760 [0,0,0,1,0,1|2,0,0]=4 11152 B10R1.268 CC(C)CN(C)CC1CC1 2230a_100000747067_100000742324 [0,0,0,1,0,1|2,0,0]=4 11153 B10R1.268 CC(C)CN(C)CC1CC1 269982a_100000741881_100000210624 [0,0,0,1,0,1|2,0,0]=4 11154 B10R1.268 CC(C)CN(C)CC1CC1 269982a_100000747067_100000756562 [0,0,0,1,0,1|2,0,0]=4 11155 B10R1.268 CC(C)CN(C)CC1CC1 270004a_100000741881_100000210432 [0,0,0,1,0,1|2,0,0]=4 11156 B10R1.268 CC(C)NC(=O)CC1CC1 11a_100138425928_100000738066 [0,0,0,1,0,1|0,0,0]=2 11157 B10R1.268 CC(C)NC(=O)CC1CC1 1626a_100138425928_100000738066 [0,0,0,1,0,1|0,0,0]=2 11158 B10R1.268 CC(C)NC(=O)CC1CC1 240690a_100138425928_100000738066 [0,0,0,1,0,1|0,0,0]=2 11159 B10R1.268 CC(C)NC(=O)CC1CC1 527a_100138425928_100000738066 [0,0,0,1,0,1|0,0,0]=2 11160 B10R1.268 CC(C)NC(=O)NC1CC1 2708a_100000212008_100138425928 [0,0,0,1,0,1|1,0,0]=3 11161 B10R1.268 CC(C)NC(=O)NC1CC1 2708a_100138425928_100000212008 [0,0,0,1,0,1|1,0,0]=3 11162 B10R1.268 CC(C)NC(=O)NC1CC1 273464a_100138425928_100000212008 [0,0,0,1,0,1|1,0,0]=3 11163 B10R1.268 CC(C)NC(=O)NC1CC1 512a_100000212008_100138425928 [0,0,0,1,0,1|1,0,0]=3 11164 B10R1.268 CC(O)CC(=O)CC1CC1 1458a_100000738066_100011218427 [0,0,0,1,0,1|1,0,0]=3 11165 B10R1.268 CN(C)CC(=O)CC1CC1 1458a_100000750896_100000742324 [0,0,0,1,0,1|1,0,0]=3 11166 B10R1.268 CN(C)CC(=O)CC1CO1 1458a_100000750896_100011216344 [0,0,0,1,0,1|2,0,0]=4 11167 B10R1.268 CN(C)CC(=O)CC1CS1 1458a_100000750896_100000031435 [0,0,0,1,0,1|2,0,0]=4 11168 B10R1.268 CN(C)CC(=O)C[C@@H]1CO1 1458a_100000750896_100000745022 [0,0,0,1,0,1|2,0,0]=4 11169 B10R1.268 CN(C)CC(=O)NC1CC1 2230a_100102631434_100000182950 [0,0,0,1,0,1|2,0,0]=4 11170 B10R1.268 CN(C)CC(=O)NC1CC1 240690a_100000212008_100000750896 [0,0,0,1,0,1|2,0,0]=4 11171 B10R1.268 CN(C)CC(=O)NC1CC1 269982a_100102631434_100000182950 [0,0,0,1,0,1|2,0,0]=4 11172 B10R1.268 CN(C)CC(=O)NC1CC1 527a_100000212008_100000750896 [0,0,0,1,0,1|2,0,0]=4 11173 B10R1.268 C[C@@H](O)CC(=O)CC1CC1 1458a_100011933948_100000742324 [0,0,0,1,0,1|1,0,0]=3 11174 B10R1.268 C[C@@H](O)CC(=O)CC1CO1 1458a_100011933948_100011216344 [0,0,0,1,0,1|2,0,0]=4 11175 B10R1.268 C[C@@H](O)CC(=O)CC1CS1 1458a_100011933948_100000031435 [0,0,0,1,0,1|2,0,0]=4 11176 B10R1.268 C[C@@H](O)CC(=O)C[C@@H]1CO1 1458a_100011933948_100000745022 [0,0,0,1,0,1|2,0,0]=4 11177 B10R1.268 C[C@@H](O)CC(=O)NC1CC1 240690a_100000212008_100011933948 [0,0,0,1,0,1|2,0,0]=4 11178 B10R1.268 C[S+](C)CC(=O)CC1CC1 1458a_200159257847_100000742324 [0,0,0,1,0,1|1,0,0]=3 11179 B10R1.268 C[S+](C)CC(=O)CC1CO1 1458a_200159257847_100011216344 [0,0,0,1,0,1|2,0,0]=4 11180 B10R1.268 C[S+](C)CC(=O)CC1CS1 1458a_200159257847_100000031435 [0,0,0,1,0,1|2,0,0]=4 11181 B10R1.268 C[S+](C)CC(=O)C[C@@H]1CO1 1458a_200159257847_100000745022 [0,0,0,1,0,1|2,0,0]=4 11182 B10R1.268 C[S+](C)CC(=O)NC1CC1 1626a_100000212008_200159257847 [0,0,0,1,0,1|2,0,0]=4 11183 B10R1.268 C[S+](C)CC(=O)NC1CC1 240690a_100000212008_200159257847 [0,0,0,1,0,1|2,0,0]=4 11184 B10R1.268 C[S+](C)CC(=O)NC1CC1 527a_100000212008_200159257847 [0,0,0,1,0,1|2,0,0]=4 11185 B10R1.268 O=C(CC(F)F)CC1CC1 1458a_100000738066_100011934356 [0,0,0,1,0,1|2,0,0]=4 11186 B10R1.293 C#CCCC(=O)C1CC1C 1458a_100000211227_100000753159 [0,0,0,1,0,1|0,0,2]=4 11187 B10R1.293 C/C=C/CC(=O)C1CC1C 1458a_100000211227_100102629194 [0,0,0,1,0,1|0,0,2]=4 11188 B10R1.293 C=CCCC(=O)C1CC1C 1458a_100000211227_100000754431 [0,0,0,1,0,1|0,0,2]=4 11189 B10R1.293 CC#CCC(=O)C1CC1C 1458a_100000211227_100000748600 [0,0,0,1,0,1|0,0,2]=4 11190 B10R1.293 CC1CC1C(=O)CCC#N 1458a_100000211227_100011215226 [0,0,0,1,0,1|1,0,1]=4 11191 B10R1.293 CC1CC1C(=O)CCCF 1458a_100000211227_100011934791 [0,0,0,1,0,1|1,0,0]=3 11192 B10R1.293 CC1CC1C(=O)CCCO 1458a_100000211227_100011215043 [0,0,0,1,0,1|1,0,0]=3 11193 B10R1.293 CC1CC1C(=O)NCCF 11a_100000724931_100000211227 [0,0,0,1,0,1|2,0,0]=4 11194 B10R1.293 CC1CC1C(=O)NCCF 1626a_100000724931_100000211227 [0,0,0,1,0,1|2,0,0]=4 11195 B10R1.293 CC1CC1C(=O)NCCF 527a_100000724931_100000211227 [0,0,0,1,0,1|2,0,0]=4 11196 B10R1.293 CC1CC1C(=O)NCCO 527a_100000210304_100000211227 [0,0,0,1,0,1|2,0,0]=4 11197 B10R1.293 CC=CCC(=O)C1CC1C 1458a_100000211227_100000070051 [0,0,0,1,0,1|0,0,2]=4 11198 B10R1.293 CCCCC(=O)C1CC1C 1458a_100000211227_100000210211 [0,0,0,1,0,1|0,0,0]=2 11199 B10R1.293 CCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210211 [0,0,0,1,0,1|1,0,0]=3 11200 B10R1.293 CCCNC(=O)C1CC1C 11a_100020643023_100000211227 [0,0,0,1,0,1|1,0,0]=3 11201 B10R1.293 CCCNC(=O)C1CC1C 1626a_100020643023_100000211227 [0,0,0,1,0,1|1,0,0]=3 11202 B10R1.293 CCCNC(=O)C1CC1C 527a_100020643023_100000211227 [0,0,0,1,0,1|1,0,0]=3 11203 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 11a_100020643023_100015396687 [0,0,0,1,0,1|2,0,0]=4 11204 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100020643023_100015396687 [0,0,0,1,0,1|2,0,0]=4 11205 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 527a_100020643023_100015396687 [0,0,0,1,0,1|2,0,0]=4 11206 B10R1.293 CCNNC(=O)C1CC1C 22a_100000756455_100000211227 [0,0,0,1,0,1|2,0,0]=4 11207 B10R1.293 COCCC(=O)C1CC1C 1458a_100000211227_100000233755 [0,0,0,1,0,1|1,0,0]=3 11208 B10R1.293 COCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000233755 [0,0,0,1,0,1|2,0,0]=4 11209 B10R1.293 CSCCC(=O)C1CC1C 1458a_100000211227_100000751147 [0,0,0,1,0,1|1,0,0]=3 11210 B10R1.293 CSCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000751147 [0,0,0,1,0,1|2,0,0]=4 11211 B10R1.293 O=C(CCCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011934791 [0,0,0,1,0,1|2,0,0]=4 11212 B10R1.293 O=C(CCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215043 [0,0,0,1,0,1|2,0,0]=4 11213 B10R1.370 CC(C)OC1(CCCC1)C 34a_100000751722_100000210206 [0,0,0,1,0,1|1,0,1]=4 11214 B10R1.370 CC(C)OC1(CCCC1)C 7a_100000751722_100000210206 [0,0,0,1,0,1|1,0,1]=4 11215 B10R1.55 C[C@@H]1CCN(C1)C(C)(C)C 269982a_100016987628_100000210625 [0,1,0,1,0,0|2,0,0]=4 11216 B10R1.55 C[C@@H]1CCN(C1)C(C)(C)C 34a_100016987628_100000210625 [0,1,0,1,0,0|2,0,0]=4 11217 B10R1.109 CC1CC1C(=O)C(F)(F)F 1458a_100000211227_200000243211 [0,1,0,1,0,0|2,0,0]=4 11218 B10R1.170 CCC1CN(C1)C(C)(C)C 269982a_100015205115_100000210625 [0,1,0,1,0,0|2,0,0]=4 11219 B10R1.179 C#CCCC(=O)C1(CC1)C 1458a_100000756474_100000753159 [0,1,0,1,0,0|0,0,2]=4 11220 B10R1.179 C#CCCC(=O)C1(CC1)F 1458a_100000055089_100000753159 [0,1,0,1,0,0|0,0,2]=4 11221 B10R1.179 C#CCCC(=O)C1(CC1)O 1458a_100000241761_100000753159 [0,1,0,1,0,0|0,0,2]=4 11222 B10R1.179 C/C=C/CC(=O)C1(CC1)C 1458a_100000756474_100102629194 [0,1,0,1,0,0|0,0,2]=4 11223 B10R1.179 C/C=C/CC(=O)C1(CC1)F 1458a_100000055089_100102629194 [0,1,0,1,0,0|0,0,2]=4 11224 B10R1.179 C/C=C/CC(=O)C1(CC1)O 1458a_100000241761_100102629194 [0,1,0,1,0,0|0,0,2]=4 11225 B10R1.179 C=CCCC(=O)C1(CC1)C 1458a_100000756474_100000754431 [0,1,0,1,0,0|0,0,2]=4 11226 B10R1.179 C=CCCC(=O)C1(CC1)F 1458a_100000055089_100000754431 [0,1,0,1,0,0|0,0,2]=4 11227 B10R1.179 C=CCCC(=O)C1(CC1)O 1458a_100000241761_100000754431 [0,1,0,1,0,0|0,0,2]=4 11228 B10R1.179 CC#CCC(=O)C1(CC1)C 1458a_100000756474_100000748600 [0,1,0,1,0,0|0,0,2]=4 11229 B10R1.179 CC#CCC(=O)C1(CC1)F 1458a_100000055089_100000748600 [0,1,0,1,0,0|0,0,2]=4 11230 B10R1.179 CC#CCC(=O)C1(CC1)O 1458a_100000241761_100000748600 [0,1,0,1,0,0|0,0,2]=4 11231 B10R1.179 CC1(CC1)C(=O)CCC#N 1458a_100000756474_100011215226 [0,1,0,1,0,0|1,0,1]=4 11232 B10R1.179 CC1(CC1)C(=O)CCCF 1458a_100000756474_100011934791 [0,1,0,1,0,0|1,0,0]=3 11233 B10R1.179 CC1(CC1)C(=O)CCCO 1458a_100000756474_100011215043 [0,1,0,1,0,0|1,0,0]=3 11234 B10R1.179 CC1(CC1)C(=O)NCCF 11a_100000724931_100000756474 [0,1,0,1,0,0|2,0,0]=4 11235 B10R1.179 CC1(CC1)C(=O)NCCF 1626a_100000724931_100000756474 [0,1,0,1,0,0|2,0,0]=4 11236 B10R1.179 CC1(CC1)C(=O)NCCF 240690a_100000724931_100000756474 [0,1,0,1,0,0|2,0,0]=4 11237 B10R1.179 CC1(CC1)C(=O)NCCF 527a_100000724931_100000756474 [0,1,0,1,0,0|2,0,0]=4 11238 B10R1.179 CC1(CC1)C(=O)NCCO 240690a_100000210304_100000756474 [0,1,0,1,0,0|2,0,0]=4 11239 B10R1.179 CC1(CC1)C(=O)NCCO 527a_100000210304_100000756474 [0,1,0,1,0,0|2,0,0]=4 11240 B10R1.179 CC=CCC(=O)C1(CC1)C 1458a_100000756474_100000070051 [0,1,0,1,0,0|0,0,2]=4 11241 B10R1.179 CC=CCC(=O)C1(CC1)F 1458a_100000055089_100000070051 [0,1,0,1,0,0|0,0,2]=4 11242 B10R1.179 CC=CCC(=O)C1(CC1)O 1458a_100000241761_100000070051 [0,1,0,1,0,0|0,0,2]=4 11243 B10R1.179 CCCCC(=O)C1(CC1)C 1458a_100000756474_100000210211 [0,1,0,1,0,0|0,0,0]=2 11244 B10R1.179 CCCCC(=O)C1(CC1)F 1458a_100000055089_100000210211 [0,1,0,1,0,0|0,0,0]=2 11245 B10R1.179 CCCCC(=O)C1(CC1)O 1458a_100000241761_100000210211 [0,1,0,1,0,0|0,0,0]=2 11246 B10R1.179 CCCNC(=O)C1(CC1)C 11a_100020643023_100000756474 [0,1,0,1,0,0|1,0,0]=3 11247 B10R1.179 CCCNC(=O)C1(CC1)C 1626a_100020643023_100000756474 [0,1,0,1,0,0|1,0,0]=3 11248 B10R1.179 CCCNC(=O)C1(CC1)C 240690a_100020643023_100000756474 [0,1,0,1,0,0|1,0,0]=3 11249 B10R1.179 CCCNC(=O)C1(CC1)C 527a_100020643023_100000756474 [0,1,0,1,0,0|1,0,0]=3 11250 B10R1.179 CCCNC(=O)C1(CC1)F 11a_100020643023_100000055089 [0,1,0,1,0,0|1,0,0]=3 11251 B10R1.179 CCCNC(=O)C1(CC1)F 1626a_100020643023_100000055089 [0,1,0,1,0,0|1,0,0]=3 11252 B10R1.179 CCCNC(=O)C1(CC1)F 240690a_100020643023_100000055089 [0,1,0,1,0,0|1,0,0]=3 11253 B10R1.179 CCCNC(=O)C1(CC1)F 527a_100020643023_100000055089 [0,1,0,1,0,0|1,0,0]=3 11254 B10R1.179 CCCNC(=O)C1(CC1)O 240690a_100020643023_100000241761 [0,1,0,1,0,0|1,0,0]=3 11255 B10R1.179 CCNNC(=O)C1(CC1)C 22a_100000756455_100000756474 [0,1,0,1,0,0|2,0,0]=4 11256 B10R1.179 CCNNC(=O)C1(CC1)F 22a_100000756455_100000055089 [0,1,0,1,0,0|2,0,0]=4 11257 B10R1.179 CCNNC(=O)C1(CC1)O 22a_100000756455_100000241761 [0,1,0,1,0,0|2,0,0]=4 11258 B10R1.179 COCCC(=O)C1(CC1)C 1458a_100000756474_100000233755 [0,1,0,1,0,0|1,0,0]=3 11259 B10R1.179 COCCC(=O)C1(CC1)F 1458a_100000055089_100000233755 [0,1,0,1,0,0|1,0,0]=3 11260 B10R1.179 COCCC(=O)C1(CC1)O 1458a_100000241761_100000233755 [0,1,0,1,0,0|1,0,0]=3 11261 B10R1.179 CSCCC(=O)C1(CC1)C 1458a_100000756474_100000751147 [0,1,0,1,0,0|1,0,0]=3 11262 B10R1.179 CSCCC(=O)C1(CC1)F 1458a_100000055089_100000751147 [0,1,0,1,0,0|1,0,0]=3 11263 B10R1.179 CSCCC(=O)C1(CC1)O 1458a_100000241761_100000751147 [0,1,0,1,0,0|1,0,0]=3 11264 B10R1.179 N#CCCC(=O)C1(CC1)F 1458a_100000055089_100011215226 [0,1,0,1,0,0|1,0,1]=4 11265 B10R1.179 N#CCCC(=O)C1(CC1)O 1458a_100000241761_100011215226 [0,1,0,1,0,0|1,0,1]=4 11266 B10R1.179 O=C(CCCF)C1(CC1)F 1458a_100000055089_100011934791 [0,1,0,1,0,0|1,0,0]=3 11267 B10R1.179 O=C(CCCF)C1(CC1)O 1458a_100000241761_100011934791 [0,1,0,1,0,0|1,0,0]=3 11268 B10R1.179 O=C(CCCO)C1(CC1)F 1458a_100000055089_100011215043 [0,1,0,1,0,0|1,0,0]=3 11269 B10R1.179 O=C(CCCO)C1(CC1)O 1458a_100000241761_100011215043 [0,1,0,1,0,0|1,0,0]=3 11270 B10R1.179 O=C(NCCF)C1(CC1)F 11a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 11271 B10R1.179 O=C(NCCF)C1(CC1)F 1626a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 11272 B10R1.179 O=C(NCCF)C1(CC1)F 240690a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 11273 B10R1.179 O=C(NCCF)C1(CC1)F 527a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 11274 B10R1.179 O=C(NCCF)C1(CC1)O 240690a_100000724931_100000241761 [0,1,0,1,0,0|2,0,0]=4 11275 B10R1.179 O=C(NCCO)C1(CC1)F 240690a_100000210304_100000055089 [0,1,0,1,0,0|2,0,0]=4 11276 B10R1.179 O=C(NCCO)C1(CC1)F 527a_100000210304_100000055089 [0,1,0,1,0,0|2,0,0]=4 11277 B10R1.179 O=C(NCCO)C1(CC1)O 240690a_100000210304_100000241761 [0,1,0,1,0,0|2,0,0]=4 11278 B10R1.274 CC(C)(C)C(=O)C1CCC1 1458a_106744555173_100000749161 [0,1,0,1,0,0|0,0,0]=2 11279 B10R1.274 CC(C)(C)C(=O)C1COC1 1458a_106744555173_100000687716 [0,1,0,1,0,0|1,0,0]=3 11280 B10R1.274 CC(C)(C)C(=O)N1CCC1 11a_100000754969_106744555173 [0,1,0,1,0,0|1,0,0]=3 11281 B10R1.274 CC(C)(C)C(=O)N1CCC1 240690a_100000754969_106744555173 [0,1,0,1,0,0|1,0,0]=3 11282 B10R1.274 CC(C)(C)C(=O)N1CCC1 527a_100000754969_106744555173 [0,1,0,1,0,0|1,0,0]=3 11283 B10R1.274 CC(C)(F)C(=O)C1CCC1 1458a_100000765255_100000749161 [0,1,0,1,0,0|0,0,0]=2 11284 B10R1.274 CC(C)(F)C(=O)C1COC1 1458a_100000765255_100000687716 [0,1,0,1,0,0|1,0,0]=3 11285 B10R1.274 CC(C)(F)C(=O)N1CCC1 11a_100000754969_100000765255 [0,1,0,1,0,0|1,0,0]=3 11286 B10R1.274 CC(C)(F)C(=O)N1CCC1 240690a_100000754969_100000765255 [0,1,0,1,0,0|1,0,0]=3 11287 B10R1.274 CC(C)(F)C(=O)N1CCC1 527a_100000754969_100000765255 [0,1,0,1,0,0|1,0,0]=3 11288 B10R1.274 CC(C)(O)C(=O)C1CCC1 1458a_100000242741_100000749161 [0,1,0,1,0,0|0,0,0]=2 11289 B10R1.274 CC(C)(O)C(=O)C1COC1 1458a_100000242741_100000687716 [0,1,0,1,0,0|1,0,0]=3 11290 B10R1.274 CC(C)(O)C(=O)N1CCC1 240690a_100000754969_100000242741 [0,1,0,1,0,0|1,0,0]=3 11291 B10R1.274 CC(F)(F)C(=O)N1CCC1 11a_100000754969_100000042251 [0,1,0,1,0,0|2,0,0]=4 11292 B10R1.274 CC(F)(F)C(=O)N1CCC1 240690a_100000754969_100000042251 [0,1,0,1,0,0|2,0,0]=4 11293 B10R1.274 CC(F)(F)C(=O)N1CCC1 527a_100000754969_100000042251 [0,1,0,1,0,0|2,0,0]=4 11294 B10R1.274 CN(C1CCC1)C(C)(C)C 269982a_100000758072_100000210625 [0,1,0,1,0,0|2,0,0]=4 11295 B10R1.274 CN(C1CCC1)C(C)(C)C 269982a_100011215553_100000749161 [0,1,0,1,0,0|2,0,0]=4 11296 B10R1.274 CN(C1CCC1)C(C)(C)C 270004a_100011215553_100000241760 [0,1,0,1,0,0|2,0,0]=4 11297 B10R1.274 CN(C1CCC1)C(C)(C)C 34a_100000758072_100000210625 [0,1,0,1,0,0|2,0,0]=4 11298 B10R1.274 O=C(C1CCC1)C(F)(F)F 1458a_100000209988_200000243211 [0,1,0,1,0,0|2,0,0]=4 11299 B10R1.274 O=C(C1CCC1)C(F)(F)F 1458a_100015355933_100000749161 [0,1,0,1,0,0|2,0,0]=4 11300 B10R1.372 CC(C)(C)C(=O)CC1CC1 1458a_106744555173_100000742324 [0,1,0,1,0,0|0,0,0]=2 11301 B10R1.372 CC(C)(C)C(=O)CC1CO1 1458a_106744555173_100011216344 [0,1,0,1,0,0|1,0,0]=3 11302 B10R1.372 CC(C)(C)C(=O)CC1CS1 1458a_106744555173_100000031435 [0,1,0,1,0,0|1,0,0]=3 11303 B10R1.372 CC(C)(C)C(=O)C[C@@H]1CO1 1458a_106744555173_100000745022 [0,1,0,1,0,0|1,0,0]=3 11304 B10R1.372 CC(C)(C)C(=O)NC1CC1 1626a_100000212008_106744555173 [0,1,0,1,0,0|1,0,0]=3 11305 B10R1.372 CC(C)(C)C(=O)NC1CC1 240690a_100000212008_106744555173 [0,1,0,1,0,0|1,0,0]=3 11306 B10R1.372 CC(C)(C)C(=O)NC1CC1 527a_100000212008_106744555173 [0,1,0,1,0,0|1,0,0]=3 11307 B10R1.372 CC(C)(F)C(=O)CC1CC1 1458a_100000765255_100000742324 [0,1,0,1,0,0|0,0,0]=2 11308 B10R1.372 CC(C)(F)C(=O)CC1CO1 1458a_100000765255_100011216344 [0,1,0,1,0,0|1,0,0]=3 11309 B10R1.372 CC(C)(F)C(=O)CC1CS1 1458a_100000765255_100000031435 [0,1,0,1,0,0|1,0,0]=3 11310 B10R1.372 CC(C)(F)C(=O)C[C@@H]1CO1 1458a_100000765255_100000745022 [0,1,0,1,0,0|1,0,0]=3 11311 B10R1.372 CC(C)(F)C(=O)NC1CC1 1626a_100000212008_100000765255 [0,1,0,1,0,0|1,0,0]=3 11312 B10R1.372 CC(C)(F)C(=O)NC1CC1 240690a_100000212008_100000765255 [0,1,0,1,0,0|1,0,0]=3 11313 B10R1.372 CC(C)(F)C(=O)NC1CC1 527a_100000212008_100000765255 [0,1,0,1,0,0|1,0,0]=3 11314 B10R1.372 CC(C)(O)C(=O)CC1CC1 1458a_100000242741_100000742324 [0,1,0,1,0,0|0,0,0]=2 11315 B10R1.372 CC(C)(O)C(=O)CC1CO1 1458a_100000242741_100011216344 [0,1,0,1,0,0|1,0,0]=3 11316 B10R1.372 CC(C)(O)C(=O)CC1CS1 1458a_100000242741_100000031435 [0,1,0,1,0,0|1,0,0]=3 11317 B10R1.372 CC(C)(O)C(=O)C[C@@H]1CO1 1458a_100000242741_100000745022 [0,1,0,1,0,0|1,0,0]=3 11318 B10R1.372 CC(C)(O)C(=O)NC1CC1 240690a_100000212008_100000242741 [0,1,0,1,0,0|1,0,0]=3 11319 B10R1.372 CC(F)(F)C(=O)NC1CC1 1626a_100000212008_100000042251 [0,1,0,1,0,0|2,0,0]=4 11320 B10R1.372 CC(F)(F)C(=O)NC1CC1 240690a_100000212008_100000042251 [0,1,0,1,0,0|2,0,0]=4 11321 B10R1.372 CC(F)(F)C(=O)NC1CC1 527a_100000212008_100000042251 [0,1,0,1,0,0|2,0,0]=4 11322 B10R1.372 CN(CC1CC1)C(C)(C)C 269982a_100000741881_100000210625 [0,1,0,1,0,0|2,0,0]=4 11323 B10R1.372 CN(CC1CC1)C(C)(C)C 269982a_100011215553_100000756562 [0,1,0,1,0,0|2,0,0]=4 11324 B10R1.372 O=C(CC1CC1)C(F)(F)F 1458a_100000738066_200000243211 [0,1,0,1,0,0|2,0,0]=4 11325 B10R1.372 O=C(CC1CC1)C(F)(F)F 1458a_100015355933_100000742324 [0,1,0,1,0,0|2,0,0]=4 11326 B10R1.23 C=C(C)C(=O)C1CCCC1 1458a_100000185857_100000179811 [0,1,0,1,0,0|0,0,2]=4 11327 B10R1.23 C=C(C)C(=O)C1CCOC1 1458a_100000185857_100000690089 [0,1,0,1,0,0|0,0,2]=4 11328 B10R1.23 CC(C)C(=O)C1=CCCC1 1458a_100000038896_100000210206 [0,1,0,1,0,0|0,0,1]=3 11329 B10R1.23 CC(C)C(=O)C1=CCOC1 1458a_100000139269_100000210206 [0,1,0,1,0,0|0,0,2]=4 11330 B10R1.23 CC(C)C(=O)C1=COCC1 1458a_100000750620_100000210206 [0,1,0,1,0,0|0,0,2]=4 11331 B10R1.23 CC(C)C(=O)C1CC=CC1 1458a_100000759439_100000210206 [0,1,0,1,0,0|0,0,1]=3 11332 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210198_100000179811 [0,1,0,1,0,0|0,0,0]=2 11333 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210718_100000210206 [0,1,0,1,0,0|0,0,0]=2 11334 B10R1.23 CC(C)C(=O)C1CCCS1 1458a_100012002731_100000210206 [0,1,0,1,0,0|0,0,0]=2 11335 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100000210198_100000690089 [0,1,0,1,0,0|0,0,0]=2 11336 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100011219752_100000210206 [0,1,0,1,0,0|0,0,0]=2 11337 B10R1.23 CC(C)C(=O)N1CC=CC1 1626a_100015195280_100000210198 [0,1,0,1,0,0|0,0,2]=4 11338 B10R1.23 CC(C)C(=O)N1CC=CC1 240690a_100015195280_100000210198 [0,1,0,1,0,0|0,0,2]=4 11339 B10R1.23 CC(C)C(=O)N1CCCC1 240690a_100000188435_100000210198 [0,1,0,1,0,0|0,0,0]=2 11340 B10R1.23 CC(C)C(=O)N1CCCC1 527a_100000188435_100000210198 [0,1,0,1,0,0|0,0,0]=2 11341 B10R1.23 CC(C)C(=O)N1CCSC1 11a_100011215254_100000210198 [0,1,0,1,0,0|1,0,0]=3 11342 B10R1.23 CC(C)C(=O)N1CCSC1 240690a_100011215254_100000210198 [0,1,0,1,0,0|1,0,0]=3 11343 B10R1.23 CC(C)C(=O)N1CCSC1 527a_100011215254_100000210198 [0,1,0,1,0,0|1,0,0]=3 11344 B10R1.23 CC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000210206 [0,1,0,1,0,0|0,0,0]=2 11345 B10R1.23 CC(C)N(C)C1CCCC1 2230a_100000207505_100000210206 [0,1,0,1,0,0|2,0,0]=4 11346 B10R1.23 CC(C)N(C)C1CCCC1 2230a_100000736669_200000210301 [0,1,0,1,0,0|2,0,0]=4 11347 B10R1.23 CC(C)N(C)C1CCCC1 269982a_100000207505_100000210206 [0,1,0,1,0,0|2,0,0]=4 11348 B10R1.23 CC(C)N(C)C1CCCC1 269982a_100000736669_200000210301 [0,1,0,1,0,0|2,0,0]=4 11349 B10R1.23 CC(C)N(C)C1CCCC1 269982a_200000211004_100000179811 [0,1,0,1,0,0|2,0,0]=4 11350 B10R1.23 CC(C)N(C)C1CCCC1 270004a_200000211004_100000210133 [0,1,0,1,0,0|2,0,0]=4 11351 B10R1.23 CC(C)N(C)C1CCCC1 34a_100000207505_100000210206 [0,1,0,1,0,0|2,0,0]=4 11352 B10R1.23 CC(C)N(C)C1CCCC1 34a_100000736669_200000210301 [0,1,0,1,0,0|2,0,0]=4 11353 B10R1.23 CC(C)N(C)C1CCOC1 2230a_100016988252_100000210206 [0,1,0,1,0,0|2,0,0]=4 11354 B10R1.23 CC(C)N(C)C1CCOC1 269982a_100016988252_100000210206 [0,1,0,1,0,0|2,0,0]=4 11355 B10R1.23 CC(C)N(C)C1CCOC1 269982a_200000211004_100000731011 [0,1,0,1,0,0|2,0,0]=4 11356 B10R1.23 CC(C)N(C)C1CCOC1 270004a_200000211004_100000752484 [0,1,0,1,0,0|2,0,0]=4 11357 B10R1.23 CC(C)N(C)C1CCOC1 34a_100016988252_100000210206 [0,1,0,1,0,0|2,0,0]=4 11358 B10R1.23 CC(C)N(C)C1CCSC1 270004a_200000211004_100000212027 [0,1,0,1,0,0|2,0,0]=4 11359 B10R1.23 CC(C)N([13CH3])C1CCCC1 2230a_100000736669_200025704644 [0,1,0,1,0,0|2,0,0]=4 11360 B10R1.23 CC(C)N([13CH3])C1CCCC1 269982a_100000736669_200025704644 [0,1,0,1,0,0|2,0,0]=4 11361 B10R1.23 CC(C)N([13CH3])C1CCCC1 34a_100000736669_200025704644 [0,1,0,1,0,0|2,0,0]=4 11362 B10R1.23 CC(F)C(=O)C1CCCC1 1458a_100000062450_100000179811 [0,1,0,1,0,0|1,0,0]=3 11363 B10R1.23 CC(F)C(=O)C1CCOC1 1458a_100000062450_100000690089 [0,1,0,1,0,0|1,0,0]=3 11364 B10R1.23 CC(F)C(=O)N1CCCC1 240690a_100000188435_100000062450 [0,1,0,1,0,0|1,0,0]=3 11365 B10R1.23 CC(F)C(=O)N1CCCC1 527a_100000188435_100000062450 [0,1,0,1,0,0|1,0,0]=3 11366 B10R1.23 CC(F)C(=O)N1CCSC1 11a_100011215254_100000062450 [0,1,0,1,0,0|2,0,0]=4 11367 B10R1.23 CC(F)C(=O)N1CCSC1 240690a_100011215254_100000062450 [0,1,0,1,0,0|2,0,0]=4 11368 B10R1.23 CC(F)C(=O)N1CCSC1 527a_100011215254_100000062450 [0,1,0,1,0,0|2,0,0]=4 11369 B10R1.23 CN(C)C(=O)C1=CCCC1 11a_100102631434_100000038896 [0,1,0,1,0,0|1,0,1]=4 11370 B10R1.23 CN(C)C(=O)C1=CCCC1 1626a_100102631434_100000038896 [0,1,0,1,0,0|1,0,1]=4 11371 B10R1.23 CN(C)C(=O)C1=CCCC1 240690a_100102631434_100000038896 [0,1,0,1,0,0|1,0,1]=4 11372 B10R1.23 CN(C)C(=O)C1CC=CC1 11a_100102631434_100000759439 [0,1,0,1,0,0|1,0,1]=4 11373 B10R1.23 CN(C)C(=O)C1CC=CC1 1626a_100102631434_100000759439 [0,1,0,1,0,0|1,0,1]=4 11374 B10R1.23 CN(C)C(=O)C1CC=CC1 240690a_100102631434_100000759439 [0,1,0,1,0,0|1,0,1]=4 11375 B10R1.23 CN(C)C(=O)C1CC=CC1 527a_100102631434_100000759439 [0,1,0,1,0,0|1,0,1]=4 11376 B10R1.23 CN(C)C(=O)C1CCCC1 11a_100102631434_100000210718 [0,1,0,1,0,0|1,0,0]=3 11377 B10R1.23 CN(C)C(=O)C1CCCC1 1626a_100102631434_100000210718 [0,1,0,1,0,0|1,0,0]=3 11378 B10R1.23 CN(C)C(=O)C1CCCC1 240690a_100102631434_100000210718 [0,1,0,1,0,0|1,0,0]=3 11379 B10R1.23 CN(C)C(=O)C1CCCC1 527a_100102631434_100000210718 [0,1,0,1,0,0|1,0,0]=3 11380 B10R1.23 CN(C)C(=O)C1CCCS1 11a_100102631434_100012002731 [0,1,0,1,0,0|1,0,0]=3 11381 B10R1.23 CN(C)C(=O)C1CCCS1 1626a_100102631434_100012002731 [0,1,0,1,0,0|1,0,0]=3 11382 B10R1.23 CN(C)C(=O)C1CCCS1 240690a_100102631434_100012002731 [0,1,0,1,0,0|1,0,0]=3 11383 B10R1.23 CN(C)C(=O)C1CCCS1 527a_100102631434_100012002731 [0,1,0,1,0,0|1,0,0]=3 11384 B10R1.23 CN(C)C(=O)C1CCOC1 11a_100102631434_100011219752 [0,1,0,1,0,0|1,0,0]=3 11385 B10R1.23 CN(C)C(=O)C1CCOC1 1626a_100102631434_100011219752 [0,1,0,1,0,0|1,0,0]=3 11386 B10R1.23 CN(C)C(=O)C1CCOC1 240690a_100102631434_100011219752 [0,1,0,1,0,0|1,0,0]=3 11387 B10R1.23 CN(C)C(=O)C1CCOC1 527a_100102631434_100011219752 [0,1,0,1,0,0|1,0,0]=3 11388 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 11a_100102631434_100000686382 [0,1,0,1,0,0|1,0,0]=3 11389 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 1626a_100102631434_100000686382 [0,1,0,1,0,0|1,0,0]=3 11390 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 240690a_100102631434_100000686382 [0,1,0,1,0,0|1,0,0]=3 11391 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 527a_100102631434_100000686382 [0,1,0,1,0,0|1,0,0]=3 11392 B10R1.23 C[C@@H](O)C(=O)C1CCCC1 1458a_100000717761_100000179811 [0,1,0,1,0,0|1,0,0]=3 11393 B10R1.23 C[C@@H](O)C(=O)C1CCOC1 1458a_100000717761_100000690089 [0,1,0,1,0,0|1,0,0]=3 11394 B10R1.23 C[C@@H](O)C(=O)N1CCCC1 240690a_100000188435_100000717761 [0,1,0,1,0,0|1,0,0]=3 11395 B10R1.23 C[C@@H](O)C(=O)N1CCSC1 240690a_100011215254_100000717761 [0,1,0,1,0,0|2,0,0]=4 11396 B10R1.23 C[C@H](O)C(=O)C1CCCC1 1458a_217856618621_100000179811 [0,1,0,1,0,0|1,0,0]=3 11397 B10R1.23 C[C@H](O)C(=O)C1CCOC1 1458a_217856618621_100000690089 [0,1,0,1,0,0|1,0,0]=3 11398 B10R1.23 C[C@H](O)C(=O)N1CCCC1 240690a_100000188435_217856618621 [0,1,0,1,0,0|1,0,0]=3 11399 B10R1.23 C[C@H](O)C(=O)N1CCSC1 240690a_100011215254_217856618621 [0,1,0,1,0,0|2,0,0]=4 11400 B10R1.23 O=C(C(F)F)N1CCCC1 240690a_100000188435_100000210393 [0,1,0,1,0,0|2,0,0]=4 11401 B10R1.23 O=C(C(F)F)N1CCCC1 527a_100000188435_100000210393 [0,1,0,1,0,0|2,0,0]=4 11402 B10R1.23 O=C(C(O)O)C1CCCC1 1458a_100000233687_100000179811 [0,1,0,1,0,0|2,0,0]=4 11403 B10R1.23 O=C(C(O)O)C1CCOC1 1458a_100000233687_100000690089 [0,1,0,1,0,0|2,0,0]=4 11404 B10R1.23 O=C(C(O)O)N1CCCC1 240690a_100000188435_100000233687 [0,1,0,1,0,0|2,0,0]=4 11405 B10R1.81 C=C1CC(C1)C(=O)C(C)C 1458a_100000065620_100000210206 [0,1,0,1,0,0|0,0,1]=3 11406 B10R1.81 C=C1CC(C1)C(=O)N(C)C 11a_100102631434_100000065620 [0,1,0,1,0,0|1,0,1]=4 11407 B10R1.81 C=C1CC(C1)C(=O)N(C)C 1626a_100102631434_100000065620 [0,1,0,1,0,0|1,0,1]=4 11408 B10R1.81 C=C1CC(C1)C(=O)N(C)C 240690a_100102631434_100000065620 [0,1,0,1,0,0|1,0,1]=4 11409 B10R1.81 C=C1CC(C1)C(=O)N(C)C 527a_100102631434_100000065620 [0,1,0,1,0,0|1,0,1]=4 11410 B10R1.81 CC(C)C(=O)C1CC(C1)F 1458a_100000062598_100000210206 [0,1,0,1,0,0|0,0,0]=2 11411 B10R1.81 CC(C)C(=O)C1CN(C1)C 1458a_100012002723_100000210206 [0,1,0,1,0,0|1,0,0]=3 11412 B10R1.81 CC(C)C(=O)N1CC(C1)F 11a_100000690557_100000210198 [0,1,0,1,0,0|1,0,0]=3 11413 B10R1.81 CC(C)C(=O)N1CC(C1)F 240690a_100000690557_100000210198 [0,1,0,1,0,0|1,0,0]=3 11414 B10R1.81 CC(C)C(=O)N1CC(C1)F 527a_100000690557_100000210198 [0,1,0,1,0,0|1,0,0]=3 11415 B10R1.81 CC(C)C(=O)N1CC(C1)O 11a_100000749847_100000210198 [0,1,0,1,0,0|1,0,0]=3 11416 B10R1.81 CC(C)C(=O)N1CC(C1)O 240690a_100000749847_100000210198 [0,1,0,1,0,0|1,0,0]=3 11417 B10R1.81 CC(C)C(=O)N1CC(C1)O 527a_100000749847_100000210198 [0,1,0,1,0,0|1,0,0]=3 11418 B10R1.81 CC(C)C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210206 [0,1,0,1,0,0|1,0,1]=4 11419 B10R1.81 CC(C)C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210206 [0,1,0,1,0,0|0,0,0]=2 11420 B10R1.81 CC(F)C(=O)N1CC(C1)F 11a_100000690557_100000062450 [0,1,0,1,0,0|2,0,0]=4 11421 B10R1.81 CC(F)C(=O)N1CC(C1)F 240690a_100000690557_100000062450 [0,1,0,1,0,0|2,0,0]=4 11422 B10R1.81 CC(F)C(=O)N1CC(C1)F 527a_100000690557_100000062450 [0,1,0,1,0,0|2,0,0]=4 11423 B10R1.81 CC(F)C(=O)N1CC(C1)O 11a_100000749847_100000062450 [0,1,0,1,0,0|2,0,0]=4 11424 B10R1.81 CC(F)C(=O)N1CC(C1)O 240690a_100000749847_100000062450 [0,1,0,1,0,0|2,0,0]=4 11425 B10R1.81 CC(F)C(=O)N1CC(C1)O 527a_100000749847_100000062450 [0,1,0,1,0,0|2,0,0]=4 11426 B10R1.81 CC1CC(C1)C(=O)C(C)C 1458a_100000686124_100000210206 [0,1,0,1,0,0|0,0,0]=2 11427 B10R1.81 CC1CC(C1)C(=O)N(C)C 11a_100102631434_100000686124 [0,1,0,1,0,0|1,0,0]=3 11428 B10R1.81 CC1CC(C1)C(=O)N(C)C 1626a_100102631434_100000686124 [0,1,0,1,0,0|1,0,0]=3 11429 B10R1.81 CC1CC(C1)C(=O)N(C)C 240690a_100102631434_100000686124 [0,1,0,1,0,0|1,0,0]=3 11430 B10R1.81 CC1CC(C1)C(=O)N(C)C 527a_100102631434_100000686124 [0,1,0,1,0,0|1,0,0]=3 11431 B10R1.81 CC1CN(C1)C(=O)C(C)C 11a_100000702820_100000210198 [0,1,0,1,0,0|1,0,0]=3 11432 B10R1.81 CC1CN(C1)C(=O)C(C)C 240690a_100000702820_100000210198 [0,1,0,1,0,0|1,0,0]=3 11433 B10R1.81 CC1CN(C1)C(=O)C(C)C 527a_100000702820_100000210198 [0,1,0,1,0,0|1,0,0]=3 11434 B10R1.81 CC1CN(C1)C(=O)C(C)F 11a_100000702820_100000062450 [0,1,0,1,0,0|2,0,0]=4 11435 B10R1.81 CC1CN(C1)C(=O)C(C)F 240690a_100000702820_100000062450 [0,1,0,1,0,0|2,0,0]=4 11436 B10R1.81 CC1CN(C1)C(=O)C(C)F 527a_100000702820_100000062450 [0,1,0,1,0,0|2,0,0]=4 11437 B10R1.81 CC1CN(C1)C(=O)[C@@H](C)O 240690a_100000702820_100000717761 [0,1,0,1,0,0|2,0,0]=4 11438 B10R1.81 CC1CN(C1)C(=O)[C@H](C)O 240690a_100000702820_217856618621 [0,1,0,1,0,0|2,0,0]=4 11439 B10R1.81 CN(C)C(=O)C1CC(C1)F 11a_100102631434_100000062598 [0,1,0,1,0,0|1,0,0]=3 11440 B10R1.81 CN(C)C(=O)C1CC(C1)F 1626a_100102631434_100000062598 [0,1,0,1,0,0|1,0,0]=3 11441 B10R1.81 CN(C)C(=O)C1CC(C1)F 240690a_100102631434_100000062598 [0,1,0,1,0,0|1,0,0]=3 11442 B10R1.81 CN(C)C(=O)C1CC(C1)F 527a_100102631434_100000062598 [0,1,0,1,0,0|1,0,0]=3 11443 B10R1.81 CN(C)C(=O)C1CN(C1)[13CH3] 34a_100015411772_200025704644 [0,1,0,1,0,0|2,0,0]=4 11444 B10R1.81 CN(C)C(=O)[C@H]1C[C@H](C1)O 240690a_100102631434_100015266633 [0,1,0,1,0,0|1,0,0]=3 11445 B10R1.81 CN(C)C(=O)[C@H]1C[C@H](C1)O 527a_100102631434_100015266633 [0,1,0,1,0,0|1,0,0]=3 11446 B10R1.81 CN1CC(C1)C(=O)N(C)C 240690a_100102631434_100012002723 [0,1,0,1,0,0|2,0,0]=4 11447 B10R1.81 CN1CC(C1)C(=O)N(C)C 34a_100015411772_200000210301 [0,1,0,1,0,0|2,0,0]=4 11448 B10R1.81 C[C@@H](O)C(=O)N1CC(C1)F 240690a_100000690557_100000717761 [0,1,0,1,0,0|2,0,0]=4 11449 B10R1.81 C[C@@H](O)C(=O)N1CC(C1)O 240690a_100000749847_100000717761 [0,1,0,1,0,0|2,0,0]=4 11450 B10R1.81 C[C@H](O)C(=O)N1CC(C1)F 240690a_100000690557_217856618621 [0,1,0,1,0,0|2,0,0]=4 11451 B10R1.81 C[C@H](O)C(=O)N1CC(C1)O 240690a_100000749847_217856618621 [0,1,0,1,0,0|2,0,0]=4 11452 B10R1.94 CCNC1CCN(C1=O)C 2230a_100015525214_100000755940 [0,1,0,1,0,0|2,0,0]=4 11453 B10R1.94 CCOC1CCN(C1=O)C 34a_100121572206_100000755940 [0,1,0,1,0,0|2,0,0]=4 11454 B10R1.94 CCSC1CCN(C1=O)C 62a_100000210202_100000755940 [0,1,0,1,0,0|2,0,0]=4 11455 B10R1.94 CCSC1CCN(C1=O)C 62a_100000755940_100000210202 [0,1,0,1,0,0|2,0,0]=4 11456 B10R1.94 CN1CCC(C1=O)CO[13CH3] 34a_100009823153_200025704644 [0,1,0,1,0,0|2,0,0]=4 11457 B10R1.94 COCC1CCN(C1=O)C 34a_100009823153_200000210301 [0,1,0,1,0,0|2,0,0]=4 11458 B10R1.139 CCCC(C)N1CCC1C 269982a_100000755817_100000766640 [0,1,0,1,0,0|2,0,0]=4 11459 B10R1.139 CCCC(C)N1CCC1C 34a_100000755817_100000766640 [0,1,0,1,0,0|2,0,0]=4 11460 B10R1.155 CC(C)C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210206 [0,1,0,1,0,0|0,0,1]=3 11461 B10R1.155 CCC1CC1C(=O)C(C)C 1458a_200011661523_100000210206 [0,1,0,1,0,0|0,0,0]=2 11462 B10R1.155 CCC1CC1C(=O)N(C)C 11a_100102631434_200011661523 [0,1,0,1,0,0|1,0,0]=3 11463 B10R1.155 CCC1CC1C(=O)N(C)C 1626a_100102631434_200011661523 [0,1,0,1,0,0|1,0,0]=3 11464 B10R1.155 CCC1CC1C(=O)N(C)C 240690a_100102631434_200011661523 [0,1,0,1,0,0|1,0,0]=3 11465 B10R1.155 CCC1CC1C(=O)N(C)C 527a_100102631434_200011661523 [0,1,0,1,0,0|1,0,0]=3 11466 B10R1.155 CN(C)C(=O)[C@@H]1C[C@H]1C#N 11a_100102631434_100015294237 [0,1,0,1,0,0|1,0,1]=4 11467 B10R1.155 CN(C)C(=O)[C@@H]1C[C@H]1C#N 1626a_100102631434_100015294237 [0,1,0,1,0,0|1,0,1]=4 11468 B10R1.155 CN(C)C(=O)[C@@H]1C[C@H]1C#N 240690a_100102631434_100015294237 [0,1,0,1,0,0|1,0,1]=4 11469 B10R1.212 CC(CC#N)C(=O)C1CC1 1458a_100000210395_100009813641 [0,1,0,1,0,0|1,0,1]=4 11470 B10R1.212 CC(CCO)C(=O)C1CC1 1458a_100000210395_100009893172 [0,1,0,1,0,0|1,0,0]=3 11471 B10R1.212 CC(CCO)C(=O)C1CO1 1458a_100000701028_100009893172 [0,1,0,1,0,0|2,0,0]=4 11472 B10R1.212 CCCC(C)C(=O)C1CC1 1458a_100000210395_100000766640 [0,1,0,1,0,0|0,0,0]=2 11473 B10R1.212 CCCC(C)C(=O)C1CO1 1458a_100000701028_100000766640 [0,1,0,1,0,0|1,0,0]=3 11474 B10R1.212 CCCC(C)N(C)C1CC1 2230a_100000226674_100000766640 [0,1,0,1,0,0|2,0,0]=4 11475 B10R1.212 CCCC(C)N(C)C1CC1 269982a_100000226674_100000766640 [0,1,0,1,0,0|2,0,0]=4 11476 B10R1.212 CCCC(C)N(C)C1CC1 270004a_100000226674_100000211909 [0,1,0,1,0,0|2,0,0]=4 11477 B10R1.212 CCCN(C)C(=O)C1CC1 11a_100000747261_100000210395 [0,1,0,1,0,0|1,0,0]=3 11478 B10R1.212 CCCN(C)C(=O)C1CC1 1626a_100000747261_100000210395 [0,1,0,1,0,0|1,0,0]=3 11479 B10R1.212 CCCN(C)C(=O)C1CC1 240690a_100000747261_100000210395 [0,1,0,1,0,0|1,0,0]=3 11480 B10R1.212 CCCN(C)C(=O)C1CC1 527a_100000747261_100000210395 [0,1,0,1,0,0|1,0,0]=3 11481 B10R1.212 CCCN(C)C(=O)C1CO1 11a_100000747261_100000701028 [0,1,0,1,0,0|2,0,0]=4 11482 B10R1.212 CCCN(C)C(=O)C1CO1 1626a_100000747261_100000701028 [0,1,0,1,0,0|2,0,0]=4 11483 B10R1.212 CCCN(C)C(=O)C1CO1 240690a_100000747261_100000701028 [0,1,0,1,0,0|2,0,0]=4 11484 B10R1.212 CCCN(C)C(=O)C1CO1 527a_100000747261_100000701028 [0,1,0,1,0,0|2,0,0]=4 11485 B10R1.212 CN(CCO)C(=O)C1CC1 240690a_100000210263_100000210395 [0,1,0,1,0,0|2,0,0]=4 11486 B10R1.212 CN(CCO)C(=O)C1CC1 527a_100000210263_100000210395 [0,1,0,1,0,0|2,0,0]=4 11487 B10R1.212 COCC(C)C(=O)C1CC1 1458a_100000210395_100000765312 [0,1,0,1,0,0|1,0,0]=3 11488 B10R1.212 COCC(C)C(=O)C1CO1 1458a_100000701028_100000765312 [0,1,0,1,0,0|2,0,0]=4 11489 B10R1.278 CC(C)C(=O)N(C)C1CC1 11a_100000226674_100000210198 [0,1,0,1,0,0|1,0,0]=3 11490 B10R1.278 CC(C)C(=O)N(C)C1CC1 1626a_100000226674_100000210198 [0,1,0,1,0,0|1,0,0]=3 11491 B10R1.278 CC(C)C(=O)N(C)C1CC1 240690a_100000226674_100000210198 [0,1,0,1,0,0|1,0,0]=3 11492 B10R1.278 CC(C)C(=O)N(C)C1CC1 527a_100000226674_100000210198 [0,1,0,1,0,0|1,0,0]=3 11493 B10R1.278 CC(F)C(=O)N(C)C1CC1 11a_100000226674_100000062450 [0,1,0,1,0,0|2,0,0]=4 11494 B10R1.278 CC(F)C(=O)N(C)C1CC1 1626a_100000226674_100000062450 [0,1,0,1,0,0|2,0,0]=4 11495 B10R1.278 CC(F)C(=O)N(C)C1CC1 240690a_100000226674_100000062450 [0,1,0,1,0,0|2,0,0]=4 11496 B10R1.278 CC(F)C(=O)N(C)C1CC1 527a_100000226674_100000062450 [0,1,0,1,0,0|2,0,0]=4 11497 B10R1.278 C[C@@H](O)C(=O)N(C)C1CC1 240690a_100000226674_100000717761 [0,1,0,1,0,0|2,0,0]=4 11498 B10R1.278 C[C@H](O)C(=O)N(C)C1CC1 1626a_100000226674_217856618621 [0,1,0,1,0,0|2,0,0]=4 11499 B10R1.278 C[C@H](O)C(=O)N(C)C1CC1 240690a_100000226674_217856618621 [0,1,0,1,0,0|2,0,0]=4 11500 B10R1.495 CC(C)C(=O)C1(CCC1)C 1458a_100000684636_100000210206 [0,1,0,1,0,0|0,0,0]=2 11501 B10R1.495 CC(C)C(=O)C1(CCC1)O 1458a_100000242746_100000210206 [0,1,0,1,0,0|0,0,0]=2 11502 B10R1.495 CC(C)C(=O)C1(COC1)C 1458a_100000094709_100000210206 [0,1,0,1,0,0|1,0,0]=3 11503 B10R1.495 CC(C)C(=O)C1(COC1)O 1458a_100010273515_100000210206 [0,1,0,1,0,0|1,0,0]=3 11504 B10R1.495 CN(C)C(=O)C1(CCC1)C 11a_100102631434_100000684636 [0,1,0,1,0,0|1,0,0]=3 11505 B10R1.495 CN(C)C(=O)C1(CCC1)C 1626a_100102631434_100000684636 [0,1,0,1,0,0|1,0,0]=3 11506 B10R1.495 CN(C)C(=O)C1(CCC1)C 240690a_100102631434_100000684636 [0,1,0,1,0,0|1,0,0]=3 11507 B10R1.495 CN(C)C(=O)C1(CCC1)C 527a_100102631434_100000684636 [0,1,0,1,0,0|1,0,0]=3 11508 B10R1.495 CN(C)C(=O)C1(CCC1)O 240690a_100102631434_100000242746 [0,1,0,1,0,0|1,0,0]=3 11509 B10R1.495 CN(C)C(=O)C1(COC1)C 11a_100102631434_100000094709 [0,1,0,1,0,0|2,0,0]=4 11510 B10R1.495 CN(C)C(=O)C1(COC1)C 1626a_100102631434_100000094709 [0,1,0,1,0,0|2,0,0]=4 11511 B10R1.495 CN(C)C(=O)C1(COC1)C 527a_100102631434_100000094709 [0,1,0,1,0,0|2,0,0]=4 11512 B10R1.495 CN(C)C(=O)C1(COC1)O 240690a_100102631434_100010273515 [0,1,0,1,0,0|2,0,0]=4 11513 B10R1.13 CC(C)N1CCC(CC1)F 2230a_100015193889_100000210206 [0,1,0,1,0,0|2,0,0]=4 11514 B10R1.13 CC(C)N1CCC(CC1)F 269982a_100015193889_100000210206 [0,1,0,1,0,0|2,0,0]=4 11515 B10R1.13 CC(C)N1CCC(CC1)F 34a_100015193889_100000210206 [0,1,0,1,0,0|2,0,0]=4 11516 B10R1.13 CC(C)N1CCC(CC1)O 2230a_100025773856_100000210206 [0,1,0,1,0,0|2,0,0]=4 11517 B10R1.13 CC(C)N1CCC(CC1)O 269982a_100025773856_100000210206 [0,1,0,1,0,0|2,0,0]=4 11518 B10R1.13 CC1CCN(CC1)C(C)C 2230a_100000188429_100000210206 [0,1,0,1,0,0|2,0,0]=4 11519 B10R1.13 CC1CCN(CC1)C(C)C 269982a_100000188429_100000210206 [0,1,0,1,0,0|2,0,0]=4 11520 B10R1.13 CC1CCN(CC1)C(C)C 34a_100000188429_100000210206 [0,1,0,1,0,0|2,0,0]=4 11521 B10R1.58 CC(=O)C1CC(=O)N(C1)C 1458a_100000187535_200000210301 [0,1,0,1,0,0|1,0,1]=4 11522 B10R1.58 CC(C)N1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210206 [0,1,0,1,0,0|2,0,0]=4 11523 B10R1.58 CC(C)N1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210206 [0,1,0,1,0,0|2,0,0]=4 11524 B10R1.58 CN1CC(CC1=O)C(=O)[13CH3] 1458a_100000187535_200025704644 [0,1,0,1,0,0|1,0,1]=4 11525 B10R1.117 CC(C)CCN1CCC1C 269982a_100000755817_100000210312 [0,1,0,1,0,0|2,0,0]=4 11526 B10R1.117 CC(C)CCN1CCC1C 34a_100000755817_100000210312 [0,1,0,1,0,0|2,0,0]=4 11527 B10R1.117 CC(O)CCN1CCC1C 269982a_100000755817_100012276601 [0,1,0,1,0,0|2,0,0]=4 11528 B10R1.117 CC(O)CCN1CCC1C 34a_100000755817_100012276601 [0,1,0,1,0,0|2,0,0]=4 11529 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210198 [0,1,0,1,0,0|1,0,0]=3 11530 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210198 [0,1,0,1,0,0|1,0,0]=3 11531 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210198 [0,1,0,1,0,0|1,0,0]=3 11532 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210198 [0,1,0,1,0,0|1,0,0]=3 11533 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210198 [0,1,0,1,0,0|1,0,0]=3 11534 B10R1.190 CC(C)C(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210198 [0,1,0,1,0,0|1,0,0]=3 11535 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000062450 [0,1,0,1,0,0|2,0,0]=4 11536 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000062450 [0,1,0,1,0,0|2,0,0]=4 11537 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000062450 [0,1,0,1,0,0|2,0,0]=4 11538 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000062450 [0,1,0,1,0,0|2,0,0]=4 11539 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000062450 [0,1,0,1,0,0|2,0,0]=4 11540 B10R1.190 CC(F)C(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000062450 [0,1,0,1,0,0|2,0,0]=4 11541 B10R1.190 C[C@@H](O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000717761 [0,1,0,1,0,0|2,0,0]=4 11542 B10R1.190 C[C@@H](O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000717761 [0,1,0,1,0,0|2,0,0]=4 11543 B10R1.190 C[C@H](O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_217856618621 [0,1,0,1,0,0|2,0,0]=4 11544 B10R1.190 C[C@H](O)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_217856618621 [0,1,0,1,0,0|2,0,0]=4 11545 B10R1.190 C[C@H](O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_217856618621 [0,1,0,1,0,0|2,0,0]=4 11546 B10R1.205 C=C(C)C(=O)CCC1CC1 1458a_100000185857_100000694398 [0,1,0,1,0,0|0,0,2]=4 11547 B10R1.205 C=C(C)C(=O)CCC1CO1 1458a_100000185857_100000732470 [0,1,0,1,0,0|0,0,2]=4 11548 B10R1.205 C=C(C)C(=O)NCC1CC1 11a_100000735609_100000185857 [0,1,0,1,0,0|0,0,2]=4 11549 B10R1.205 C=C(C)C(=O)NCC1CC1 1626a_100000735609_100000185857 [0,1,0,1,0,0|0,0,2]=4 11550 B10R1.205 CC(=NNC1CC1)C(C)C 4a_100000701032_100000211110 [0,1,0,1,0,0|2,0,0]=4 11551 B10R1.205 CC(=O)C(=O)CNC1CC1 34a_100000212008_100011261029 [0,1,0,1,0,0|1,0,1]=4 11552 B10R1.205 CC(=O)C(=O)CSC1CC1 62a_100011261029_100000211595 [0,1,0,1,0,0|1,0,1]=4 11553 B10R1.205 CC(C)C(=O)C=CC1CC1 1458a_100102529529_100000210206 [0,1,0,1,0,0|0,0,1]=3 11554 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000210198_100000694398 [0,1,0,1,0,0|0,0,0]=2 11555 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000756386_100000210206 [0,1,0,1,0,0|0,0,0]=2 11556 B10R1.205 CC(C)C(=O)CCC1CO1 1458a_100000210198_100000732470 [0,1,0,1,0,0|0,0,0]=2 11557 B10R1.205 CC(C)C(=O)CNC1CC1 34a_100000212008_100000753385 [0,1,0,1,0,0|0,0,0]=2 11558 B10R1.205 CC(C)C(=O)CSC1CC1 62a_100000753385_100000211595 [0,1,0,1,0,0|0,0,0]=2 11559 B10R1.205 CC(C)C(=O)NCC1CC1 11a_100000735609_100000210198 [0,1,0,1,0,0|0,0,0]=2 11560 B10R1.205 CC(C)C(=O)NCC1CC1 1626a_100000735609_100000210198 [0,1,0,1,0,0|0,0,0]=2 11561 B10R1.205 CC(C)C(=O)NCC1CC1 240690a_100000735609_100000210198 [0,1,0,1,0,0|0,0,0]=2 11562 B10R1.205 CC(C)C(=O)NCC1CC1 527a_100000735609_100000210198 [0,1,0,1,0,0|0,0,0]=2 11563 B10R1.205 CC(C)C(=O)NNC1CC1 22a_100000701032_100000210198 [0,1,0,1,0,0|1,0,0]=3 11564 B10R1.205 CC(C)C(C)NCC1CC1 2230a_100000211541_100000742324 [0,1,0,1,0,0|1,0,1]=4 11565 B10R1.205 CC(C)C(C)NCC1CC1 269862a_100000211541_100000741477 [0,1,0,1,0,0|1,0,1]=4 11566 B10R1.205 CC(C)C(C)OCC1CC1 7a_100000748068_100000742324 [0,1,0,1,0,0|1,0,1]=4 11567 B10R1.205 CC(C)C(O)CNC1CC1 34a_100000759067_100000211595 [0,1,0,1,0,0|0,0,2]=4 11568 B10R1.205 CC(C)N(C)CCC1CC1 269982a_200000211004_100000694398 [0,1,0,1,0,0|2,0,0]=4 11569 B10R1.205 CC(C)N(C)CCC1CO1 269982a_200000211004_100000732470 [0,1,0,1,0,0|2,0,0]=4 11570 B10R1.205 CC(C)[C@@H](N)COC1CC1 34a_100011830312_100000211595 [0,1,0,1,0,0|1,0,1]=4 11571 B10R1.205 CC(F)C(=O)CCC1CC1 1458a_100000062450_100000694398 [0,1,0,1,0,0|1,0,0]=3 11572 B10R1.205 CC(F)C(=O)CCC1CO1 1458a_100000062450_100000732470 [0,1,0,1,0,0|1,0,0]=3 11573 B10R1.205 CC(F)C(=O)NCC1CC1 11a_100000735609_100000062450 [0,1,0,1,0,0|1,0,0]=3 11574 B10R1.205 CC(F)C(=O)NCC1CC1 1626a_100000735609_100000062450 [0,1,0,1,0,0|1,0,0]=3 11575 B10R1.205 CC(F)C(=O)NCC1CC1 240690a_100000735609_100000062450 [0,1,0,1,0,0|1,0,0]=3 11576 B10R1.205 CC(F)C(=O)NCC1CC1 527a_100000735609_100000062450 [0,1,0,1,0,0|1,0,0]=3 11577 B10R1.205 CC(F)C(=O)NNC1CC1 22a_100000701032_100000062450 [0,1,0,1,0,0|2,0,0]=4 11578 B10R1.205 CN(C)C(=O)C=CC1CC1 11a_100102631434_100102529529 [0,1,0,1,0,0|1,0,1]=4 11579 B10R1.205 CN(C)C(=O)C=CC1CC1 1626a_100102631434_100102529529 [0,1,0,1,0,0|1,0,1]=4 11580 B10R1.205 CN(C)C(=O)C=CC1CC1 240690a_100102631434_100102529529 [0,1,0,1,0,0|1,0,1]=4 11581 B10R1.205 CN(C)C(=O)CCC1CC1 11a_100102631434_100000756386 [0,1,0,1,0,0|1,0,0]=3 11582 B10R1.205 CN(C)C(=O)CCC1CC1 1626a_100102631434_100000756386 [0,1,0,1,0,0|1,0,0]=3 11583 B10R1.205 CN(C)C(=O)CCC1CC1 240690a_100102631434_100000756386 [0,1,0,1,0,0|1,0,0]=3 11584 B10R1.205 CN(C)C(=O)CCC1CC1 527a_100102631434_100000756386 [0,1,0,1,0,0|1,0,0]=3 11585 B10R1.205 CN(C)C(=O)CNC1CC1 34a_100000212008_100000692301 [0,1,0,1,0,0|1,0,0]=3 11586 B10R1.205 CN(C)C(=O)CSC1CC1 62a_100000692301_100000211595 [0,1,0,1,0,0|1,0,0]=3 11587 B10R1.205 CN(C)C(=O)NCC1CC1 2708a_100000735609_100102631434 [0,1,0,1,0,0|1,0,0]=3 11588 B10R1.205 C[C@@H](O)C(=O)CCC1CC1 1458a_100000717761_100000694398 [0,1,0,1,0,0|1,0,0]=3 11589 B10R1.205 C[C@@H](O)C(=O)CCC1CO1 1458a_100000717761_100000732470 [0,1,0,1,0,0|1,0,0]=3 11590 B10R1.205 C[C@@H](O)C(=O)NCC1CC1 240690a_100000735609_100000717761 [0,1,0,1,0,0|1,0,0]=3 11591 B10R1.205 C[C@@H](O)C(=O)NNC1CC1 22a_100000701032_100000717761 [0,1,0,1,0,0|2,0,0]=4 11592 B10R1.205 C[C@H](O)C(=O)CCC1CC1 1458a_217856618621_100000694398 [0,1,0,1,0,0|1,0,0]=3 11593 B10R1.205 C[C@H](O)C(=O)CCC1CO1 1458a_217856618621_100000732470 [0,1,0,1,0,0|1,0,0]=3 11594 B10R1.205 C[C@H](O)C(=O)NCC1CC1 1626a_100000735609_217856618621 [0,1,0,1,0,0|1,0,0]=3 11595 B10R1.205 C[C@H](O)C(=O)NCC1CC1 240690a_100000735609_217856618621 [0,1,0,1,0,0|1,0,0]=3 11596 B10R1.205 C[C@H](O)C(=O)NNC1CC1 22a_100000701032_217856618621 [0,1,0,1,0,0|2,0,0]=4 11597 B10R1.205 O=C(CCC1CC1)C(O)O 1458a_100000233687_100000694398 [0,1,0,1,0,0|2,0,0]=4 11598 B10R1.205 O=C(CCC1CO1)C(O)O 1458a_100000233687_100000732470 [0,1,0,1,0,0|2,0,0]=4 11599 B10R1.205 O=C(NCC1CC1)C(F)F 11a_100000735609_100000210393 [0,1,0,1,0,0|2,0,0]=4 11600 B10R1.205 O=C(NCC1CC1)C(F)F 1626a_100000735609_100000210393 [0,1,0,1,0,0|2,0,0]=4 11601 B10R1.205 O=C(NCC1CC1)C(F)F 240690a_100000735609_100000210393 [0,1,0,1,0,0|2,0,0]=4 11602 B10R1.205 O=C(NCC1CC1)C(F)F 527a_100000735609_100000210393 [0,1,0,1,0,0|2,0,0]=4 11603 B10R1.205 O=C(NCC1CC1)C(O)O 240690a_100000735609_100000233687 [0,1,0,1,0,0|2,0,0]=4 11604 B10R1.211 C=C(C)CCC(=O)C1CC1 1458a_100000210395_100000730704 [0,1,0,1,0,0|0,0,1]=3 11605 B10R1.211 C=C(C)CCC(=O)C1CO1 1458a_100000701028_100000730704 [0,1,0,1,0,0|1,0,1]=4 11606 B10R1.211 C=C(C)CNC(=O)C1CC1 11a_100000765925_100000210395 [0,1,0,1,0,0|1,0,1]=4 11607 B10R1.211 C=C(C)CNC(=O)C1CC1 1626a_100000765925_100000210395 [0,1,0,1,0,0|1,0,1]=4 11608 B10R1.211 C=C(C)CNC(=O)C1CC1 240690a_100000765925_100000210395 [0,1,0,1,0,0|1,0,1]=4 11609 B10R1.211 C=C(C)CNC(=O)C1CC1 527a_100000765925_100000210395 [0,1,0,1,0,0|1,0,1]=4 11610 B10R1.211 CC(=CCC(=O)C1CC1)C 1458a_100000210395_100000761012 [0,1,0,1,0,0|0,0,2]=4 11611 B10R1.211 CC(=O)COC(=O)C1CC1 1458a_100000070787_100000140896 [0,1,0,1,0,0|1,0,1]=4 11612 B10R1.211 CC(C)CCC(=O)C1CC1 1458a_100000210395_100000210312 [0,1,0,1,0,0|0,0,0]=2 11613 B10R1.211 CC(C)CCC(=O)C1CO1 1458a_100000701028_100000210312 [0,1,0,1,0,0|1,0,0]=3 11614 B10R1.211 CC(C)CCN(C)C1CC1 2230a_100000226674_100000210312 [0,1,0,1,0,0|2,0,0]=4 11615 B10R1.211 CC(C)CCN(C)C1CC1 2230a_100000737065_200000210301 [0,1,0,1,0,0|2,0,0]=4 11616 B10R1.211 CC(C)CCN(C)C1CC1 269982a_100000226674_100000210312 [0,1,0,1,0,0|2,0,0]=4 11617 B10R1.211 CC(C)CCN(C)C1CC1 269982a_100000737065_200000210301 [0,1,0,1,0,0|2,0,0]=4 11618 B10R1.211 CC(C)CCN(C)C1CC1 269982a_100000742789_100000211595 [0,1,0,1,0,0|2,0,0]=4 11619 B10R1.211 CC(C)CCN([13CH3])C1CC1 2230a_100000737065_200025704644 [0,1,0,1,0,0|2,0,0]=4 11620 B10R1.211 CC(C)CCN([13CH3])C1CC1 269982a_100000737065_200025704644 [0,1,0,1,0,0|2,0,0]=4 11621 B10R1.211 CC(C)CNC(=O)C1CC1 11a_100000210953_100000210395 [0,1,0,1,0,0|1,0,0]=3 11622 B10R1.211 CC(C)CNC(=O)C1CC1 1626a_100000210953_100000210395 [0,1,0,1,0,0|1,0,0]=3 11623 B10R1.211 CC(C)CNC(=O)C1CC1 240690a_100000210953_100000210395 [0,1,0,1,0,0|1,0,0]=3 11624 B10R1.211 CC(C)CNC(=O)C1CC1 527a_100000210953_100000210395 [0,1,0,1,0,0|1,0,0]=3 11625 B10R1.211 CC(C)CNC(=O)C1CO1 11a_100000210953_100000701028 [0,1,0,1,0,0|2,0,0]=4 11626 B10R1.211 CC(C)CNC(=O)C1CO1 1626a_100000210953_100000701028 [0,1,0,1,0,0|2,0,0]=4 11627 B10R1.211 CC(C)CNC(=O)C1CO1 240690a_100000210953_100000701028 [0,1,0,1,0,0|2,0,0]=4 11628 B10R1.211 CC(C)CNC(=O)C1CO1 527a_100000210953_100000701028 [0,1,0,1,0,0|2,0,0]=4 11629 B10R1.211 CC(C)NCC(=O)C1CC1 2230a_100138425928_100000746382 [0,1,0,1,0,0|1,0,0]=3 11630 B10R1.211 CC(C)NCC(=O)C1CC1 34a_100138425928_100000746382 [0,1,0,1,0,0|1,0,0]=3 11631 B10R1.211 CC(C)NNC(=O)C1CC1 22a_100000741168_100000210395 [0,1,0,1,0,0|2,0,0]=4 11632 B10R1.211 CC(C)OCC(=O)C1CC1 34a_100000212225_100000746382 [0,1,0,1,0,0|1,0,0]=3 11633 B10R1.211 CC(C)OCC(=O)C1CC1 34a_100000686663_100000210206 [0,1,0,1,0,0|1,0,0]=3 11634 B10R1.211 CC(C)SCC(=O)C1CC1 62a_100000210206_100000746382 [0,1,0,1,0,0|1,0,0]=3 11635 B10R1.211 CC(C)SCC(=O)C1CC1 62a_100000746382_100000210206 [0,1,0,1,0,0|1,0,0]=3 11636 B10R1.211 CC(O)CCC(=O)C1CC1 1458a_100000210395_100012276601 [0,1,0,1,0,0|0,0,0]=2 11637 B10R1.211 CC(O)CCC(=O)C1CO1 1458a_100000701028_100012276601 [0,1,0,1,0,0|1,0,0]=3 11638 B10R1.211 CC(O)CCN(C)C1CC1 2230a_100000226674_100012276601 [0,1,0,1,0,0|2,0,0]=4 11639 B10R1.211 CC(O)CCN(C)C1CC1 269982a_100000226674_100012276601 [0,1,0,1,0,0|2,0,0]=4 11640 B10R1.211 CC(O)CNC(=O)C1CC1 11a_100000210904_100000210395 [0,1,0,1,0,0|1,0,0]=3 11641 B10R1.211 CC(O)CNC(=O)C1CC1 240690a_100000210904_100000210395 [0,1,0,1,0,0|1,0,0]=3 11642 B10R1.211 CC(O)CNC(=O)C1CC1 527a_100000210904_100000210395 [0,1,0,1,0,0|1,0,0]=3 11643 B10R1.211 CC(O)CNC(=O)C1CO1 11a_100000210904_100000701028 [0,1,0,1,0,0|2,0,0]=4 11644 B10R1.211 CC(O)CNC(=O)C1CO1 240690a_100000210904_100000701028 [0,1,0,1,0,0|2,0,0]=4 11645 B10R1.211 CC(O)CNC(=O)C1CO1 527a_100000210904_100000701028 [0,1,0,1,0,0|2,0,0]=4 11646 B10R1.211 CN(C)COC(=O)C1CC1 2230a_100102631434_100000140896 [0,1,0,1,0,0|2,0,0]=4 11647 B10R1.211 CN(C)COC(=O)C1CC1 269982a_100102631434_100000140896 [0,1,0,1,0,0|2,0,0]=4 11648 B10R1.211 O=C(NCC(F)F)C1CC1 11a_100000765723_100000210395 [0,1,0,1,0,0|2,0,0]=4 11649 B10R1.211 O=C(NCC(F)F)C1CC1 1626a_100000765723_100000210395 [0,1,0,1,0,0|2,0,0]=4 11650 B10R1.211 O=C(NCC(F)F)C1CC1 240690a_100000765723_100000210395 [0,1,0,1,0,0|2,0,0]=4 11651 B10R1.211 O=C(NCC(F)F)C1CC1 527a_100000765723_100000210395 [0,1,0,1,0,0|2,0,0]=4 11652 B10R1.332 CN1CCC(=O)N(CC1)C 2230a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 11653 B10R1.332 CN1CCC(=O)N(CC1)C 269982a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 11654 B10R1.332 CN1CCC(=O)N(CC1)C 34a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 11655 B10R1.332 CN1CCN(CCC1=O)[13CH3] 2230a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 11656 B10R1.332 CN1CCN(CCC1=O)[13CH3] 269982a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 11657 B10R1.332 CN1CCN(CCC1=O)[13CH3] 34a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 11658 B10R1.359 CC(C)N1CCC(C1)(C)C 2230a_100000764714_100000210206 [0,1,0,1,0,0|2,0,0]=4 11659 B10R1.359 CC(C)N1CCC(C1)(C)C 269982a_100000764714_100000210206 [0,1,0,1,0,0|2,0,0]=4 11660 B10R1.359 CC(C)N1CCC(C1)(C)O 2230a_100000718628_100000210206 [0,1,0,1,0,0|2,0,0]=4 11661 B10R1.359 CC(C)N1CCC(C1)(C)O 269982a_100000718628_100000210206 [0,1,0,1,0,0|2,0,0]=4 11662 B10R1.494 CC(C)C(=O)C1CC1(F)F 1458a_100000042250_100000210206 [0,1,0,1,0,0|1,0,0]=3 11663 B10R1.494 CC(C)C(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210206 [0,1,0,1,0,0|0,0,0]=2 11664 B10R1.494 CN(C)C(=O)C1CC1(F)F 11a_100102631434_100000042250 [0,1,0,1,0,0|2,0,0]=4 11665 B10R1.494 CN(C)C(=O)C1CC1(F)F 240690a_100102631434_100000042250 [0,1,0,1,0,0|2,0,0]=4 11666 B10R1.494 CN(C)C(=O)C1CC1(F)F 527a_100102631434_100000042250 [0,1,0,1,0,0|2,0,0]=4 11667 B10R1.494 CN(C)C(=O)[C@H]1CC1(C)C 11a_100102631434_100000692687 [0,1,0,1,0,0|1,0,0]=3 11668 B10R1.494 CN(C)C(=O)[C@H]1CC1(C)C 1626a_100102631434_100000692687 [0,1,0,1,0,0|1,0,0]=3 11669 B10R1.494 CN(C)C(=O)[C@H]1CC1(C)C 240690a_100102631434_100000692687 [0,1,0,1,0,0|1,0,0]=3 11670 B10R1.494 CN(C)C(=O)[C@H]1CC1(C)C 527a_100102631434_100000692687 [0,1,0,1,0,0|1,0,0]=3 11671 B10R1.14 CC(CO)N1CC[C@H](C1)C 2230a_100016987628_100012180447 [0,1,0,1,0,0|2,0,0]=4 11672 B10R1.14 CC(CO)N1CC[C@H](C1)C 34a_100016987628_100012180447 [0,1,0,1,0,0|2,0,0]=4 11673 B10R1.14 CCC(C)N1CC[C@H](C1)C 2230a_100016987628_100000758301 [0,1,0,1,0,0|2,0,0]=4 11674 B10R1.14 CCC(C)N1CC[C@H](C1)C 269982a_100016987628_100000758301 [0,1,0,1,0,0|2,0,0]=4 11675 B10R1.14 CCC(C)N1CC[C@H](C1)C 34a_100016987628_100011215416 [0,1,0,1,0,0|2,0,0]=4 11676 B10R1.14 COC(C)N1CC[C@H](C1)C 269982a_100016987628_100009879195 [0,1,0,1,0,0|2,0,0]=4 11677 B10R1.14 C[C@@H]1CCN(C1)[C@H](C)CO 269982a_100016987628_100016084084 [0,1,0,1,0,0|2,0,0]=4 11678 B10R1.15 CC(N[13CH3])C1=CCCCC1 2230a_200015185932_200025704644 [0,1,0,1,0,0|1,0,0]=3 11679 B10R1.15 CC(N[13CH3])C1=CCCCC1 34a_200015185932_200025704644 [0,1,0,1,0,0|1,0,0]=3 11680 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,1,0,1,0,0|1,0,1]=4 11681 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,1,0,1,0,0|1,0,1]=4 11682 B10R1.15 CNC(C)C1=CCCCC1 2230a_200015185932_200000210301 [0,1,0,1,0,0|1,0,0]=3 11683 B10R1.15 CNC(C)C1=CCCCC1 34a_200015185932_200000210301 [0,1,0,1,0,0|1,0,0]=3 11684 B10R1.15 CNC(C)C1CCCCC1 269862a_106832991636_100000210989 [0,1,0,1,0,0|1,0,1]=4 11685 B10R1.15 CNC(C)C1CCCCN1 269862a_106832991636_200011997754 [0,1,0,1,0,0|1,0,1]=4 11686 B10R1.15 CN[C@H](C)C1CCCCC1 2230a_100025707633_200000210301 [0,1,0,1,0,0|1,0,1]=4 11687 B10R1.15 CN[C@H](C)C1CCCCC1 34a_100025707633_200000210301 [0,1,0,1,0,0|1,0,1]=4 11688 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,1,0,1,0,0|1,0,1]=4 11689 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,1,0,1,0,0|1,0,1]=4 11690 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 2230a_100025707633_200025704644 [0,1,0,1,0,0|1,0,1]=4 11691 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 34a_100025707633_200025704644 [0,1,0,1,0,0|1,0,1]=4 11692 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|0,0,0]=2 11693 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,1,0,1,0,0|1,0,0]=3 11694 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,1,0,1,0,0|1,0,0]=3 11695 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,1,0,1,0,0|1,0,0]=3 11696 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,1,0,1,0,0|1,0,0]=3 11697 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|0,0,0]=2 11698 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|0,0,0]=2 11699 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,1,0,1,0,0|1,0,0]=3 11700 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,1,0,1,0,0|1,0,0]=3 11701 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,1,0,1,0,0|1,0,0]=3 11702 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,1,0,1,0,0|1,0,0]=3 11703 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|0,0,0]=2 11704 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|0,0,0]=2 11705 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,1,0,1,0,0|1,0,0]=3 11706 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,1,0,1,0,0|1,0,0]=3 11707 B10R1.29 CCCCN1CCC[C@@H]1C 2230a_100020605311_100000210211 [0,1,0,1,0,0|2,0,0]=4 11708 B10R1.29 CCCCN1CCC[C@@H]1C 269982a_100020605311_100000210211 [0,1,0,1,0,0|2,0,0]=4 11709 B10R1.29 CCCCN1CCC[C@H]1C 2230a_100015189458_100000210211 [0,1,0,1,0,0|2,0,0]=4 11710 B10R1.29 CCCCN1CCC[C@H]1C 269982a_100015189458_100000210211 [0,1,0,1,0,0|2,0,0]=4 11711 B10R1.29 CCCCN1CCC[C@H]1C 34a_100015189458_100000210210 [0,1,0,1,0,0|2,0,0]=4 11712 B10R1.29 CCCCN1CCSC1C 2230a_200011216479_100000210211 [0,1,0,1,0,0|2,0,0]=4 11713 B10R1.29 CCCCN1CCSC1C 269982a_200011216479_100000210211 [0,1,0,1,0,0|2,0,0]=4 11714 B10R1.29 CCCCN1CCSC1C 34a_200011216479_100000210210 [0,1,0,1,0,0|2,0,0]=4 11715 B10R1.30 CC1CCC(C(C1)O[13CH3])C 34a_100011217446_200025704644 [0,1,0,1,0,0|1,0,1]=4 11716 B10R1.30 CC1CCC(C(C1)O[13CH3])C 7a_100011217446_200025704644 [0,1,0,1,0,0|1,0,1]=4 11717 B10R1.30 CNC1CC(CCC1C)C 269862a_106832991636_100000034887 [0,1,0,1,0,0|1,0,1]=4 11718 B10R1.30 CNC1CC(CCC1C)C 270004a_106832991635_100000034887 [0,1,0,1,0,0|1,0,1]=4 11719 B10R1.30 COC1CC(CCC1C)C 34a_100011217446_200000210301 [0,1,0,1,0,0|1,0,1]=4 11720 B10R1.30 COC1CC(CCC1C)C 7a_100011217446_200000210301 [0,1,0,1,0,0|1,0,1]=4 11721 B10R1.35 CCN1CC(CC1=O)NC 2230a_100015184948_200000210301 [0,1,0,1,0,0|2,0,0]=4 11722 B10R1.35 CCN1CC(CC1=O)NC 34a_100015184948_200000210301 [0,1,0,1,0,0|2,0,0]=4 11723 B10R1.35 CCN1CC(CC1=O)N[13CH3] 2230a_100015184948_200025704644 [0,1,0,1,0,0|2,0,0]=4 11724 B10R1.35 CCN1CC(CC1=O)N[13CH3] 34a_100015184948_200025704644 [0,1,0,1,0,0|2,0,0]=4 11725 B10R1.169 CCC1CN(C1)C(C)CC 2230a_100015205115_100000758301 [0,1,0,1,0,0|2,0,0]=4 11726 B10R1.169 CCC1CN(C1)C(C)CC 269982a_100015205115_100000758301 [0,1,0,1,0,0|2,0,0]=4 11727 B10R1.169 CCC1CN(C1)C(C)CO 2230a_100015205115_100012180447 [0,1,0,1,0,0|2,0,0]=4 11728 B10R1.169 CCC1CN(C1)C(C)OC 269982a_100015205115_100009879195 [0,1,0,1,0,0|2,0,0]=4 11729 B10R1.169 CCC1CN(C1)[C@H](C)CO 269982a_100015205115_100016084084 [0,1,0,1,0,0|2,0,0]=4 11730 B10R1.176 CC1CCC(CC1C)O[13CH3] 34a_100011215933_200025704644 [0,1,0,1,0,0|1,0,1]=4 11731 B10R1.176 CC1CCC(CC1C)O[13CH3] 7a_100011215933_200025704644 [0,1,0,1,0,0|1,0,1]=4 11732 B10R1.176 CCC1CCC(N(C1)C)C 2230a_100011219223_200000210301 [0,1,0,1,0,0|2,0,0]=4 11733 B10R1.176 CCC1CCC(N(C1)C)C 269982a_100011219223_200000210301 [0,1,0,1,0,0|2,0,0]=4 11734 B10R1.176 CCC1CCC(N(C1)C)C 34a_100011219223_200000210301 [0,1,0,1,0,0|2,0,0]=4 11735 B10R1.176 CCC1CCC(N(C1)[13CH3])C 2230a_100011219223_200025704644 [0,1,0,1,0,0|2,0,0]=4 11736 B10R1.176 CCC1CCC(N(C1)[13CH3])C 269982a_100011219223_200025704644 [0,1,0,1,0,0|2,0,0]=4 11737 B10R1.176 CCC1CCC(N(C1)[13CH3])C 34a_100011219223_200025704644 [0,1,0,1,0,0|2,0,0]=4 11738 B10R1.176 CCN1CCC(C(C1)C)O 2230a_100011998114_100000210202 [0,1,0,1,0,0|0,0,2]=4 11739 B10R1.176 CCN1CCC(C(C1)C)O 269982a_100011998114_100000204670 [0,1,0,1,0,0|0,0,2]=4 11740 B10R1.176 CCN1CCN(C(=O)C1)C 2230a_100000187256_100000210202 [0,1,0,1,0,0|2,0,0]=4 11741 B10R1.176 CCN1CCN(C(=O)C1)C 269982a_100000187256_100000204670 [0,1,0,1,0,0|2,0,0]=4 11742 B10R1.176 CCN1CCN([C@H](C1)C)C 2230a_100020603432_100000210202 [0,1,0,1,0,0|2,0,0]=4 11743 B10R1.176 CCN1CCN([C@H](C1)C)C 269982a_100020603432_100000204670 [0,1,0,1,0,0|2,0,0]=4 11744 B10R1.176 CN1CC(CCC1=O)N[13CH3] 2230a_100011935005_200025704644 [0,1,0,1,0,0|1,0,0]=3 11745 B10R1.176 CN1CC(CCC1=O)N[13CH3] 34a_100011935005_200025704644 [0,1,0,1,0,0|1,0,0]=3 11746 B10R1.176 CN1CCC(CC1=O)N[13CH3] 2230a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 11747 B10R1.176 CN1CCC(CC1=O)N[13CH3] 34a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 11748 B10R1.176 CNC1CCC(=O)N(C1)C 2230a_100011935005_200000210301 [0,1,0,1,0,0|1,0,0]=3 11749 B10R1.176 CNC1CCC(=O)N(C1)C 34a_100011935005_200000210301 [0,1,0,1,0,0|1,0,0]=3 11750 B10R1.176 CNC1CCC(C(C1)C)C 270004a_106832991635_100000759390 [0,1,0,1,0,0|1,0,1]=4 11751 B10R1.176 CNC1CCN(C(=O)C1)C 2230a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 11752 B10R1.176 CNC1CCN(C(=O)C1)C 34a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 11753 B10R1.176 COC1CCC(C(C1)C)C 34a_100011215933_200000210301 [0,1,0,1,0,0|1,0,1]=4 11754 B10R1.176 COC1CCC(C(C1)C)C 7a_100011215933_200000210301 [0,1,0,1,0,0|1,0,1]=4 11755 B10R1.178 C#CCCC(=O)C1CCC1 1458a_100000209988_100000753159 [0,1,0,1,0,0|0,0,2]=4 11756 B10R1.178 C#CCCC(=O)C1CCC1 1458a_100000692101_100000749161 [0,1,0,1,0,0|0,0,2]=4 11757 B10R1.178 C#CCCC(=O)C1CCO1 1458a_100000089072_100000753159 [0,1,0,1,0,0|0,0,2]=4 11758 B10R1.178 C#CCCC(=O)C1COC1 1458a_100000692101_100000687716 [0,1,0,1,0,0|0,0,2]=4 11759 B10R1.178 C#CCCC(=O)C1COC1 1458a_100000758290_100000753159 [0,1,0,1,0,0|0,0,2]=4 11760 B10R1.178 C/C=C/CC(=O)C1CCC1 1458a_100000209988_100102629194 [0,1,0,1,0,0|0,0,2]=4 11761 B10R1.178 C/C=C/CC(=O)C1CCO1 1458a_100000089072_100102629194 [0,1,0,1,0,0|0,0,2]=4 11762 B10R1.178 C/C=C/CC(=O)C1COC1 1458a_100000758290_100102629194 [0,1,0,1,0,0|0,0,2]=4 11763 B10R1.178 C=CCCC(=O)C1CCC1 1458a_100000209988_100000754431 [0,1,0,1,0,0|0,0,2]=4 11764 B10R1.178 C=CCCC(=O)C1CCC1 1458a_100000749702_100000749161 [0,1,0,1,0,0|0,0,2]=4 11765 B10R1.178 C=CCCC(=O)C1CCO1 1458a_100000089072_100000754431 [0,1,0,1,0,0|0,0,2]=4 11766 B10R1.178 C=CCCC(=O)C1COC1 1458a_100000749702_100000687716 [0,1,0,1,0,0|0,0,2]=4 11767 B10R1.178 C=CCCC(=O)C1COC1 1458a_100000758290_100000754431 [0,1,0,1,0,0|0,0,2]=4 11768 B10R1.178 CC#CCC(=O)C1CCC1 1458a_100000209988_100000748600 [0,1,0,1,0,0|0,0,2]=4 11769 B10R1.178 CC#CCC(=O)C1CCO1 1458a_100000089072_100000748600 [0,1,0,1,0,0|0,0,2]=4 11770 B10R1.178 CC#CCC(=O)C1COC1 1458a_100000758290_100000748600 [0,1,0,1,0,0|0,0,2]=4 11771 B10R1.178 CC=CCC(=O)C1CCC1 1458a_100000209988_100000070051 [0,1,0,1,0,0|0,0,2]=4 11772 B10R1.178 CC=CCC(=O)C1CCC1 1458a_100121576822_100000749161 [0,1,0,1,0,0|0,0,2]=4 11773 B10R1.178 CC=CCC(=O)C1CCO1 1458a_100000089072_100000070051 [0,1,0,1,0,0|0,0,2]=4 11774 B10R1.178 CC=CCC(=O)C1COC1 1458a_100000758290_100000070051 [0,1,0,1,0,0|0,0,2]=4 11775 B10R1.178 CC=CCC(=O)C1COC1 1458a_100121576822_100000687716 [0,1,0,1,0,0|0,0,2]=4 11776 B10R1.178 CCC#CC(=O)C1CCC1 1458a_100011827653_100000749161 [0,1,0,1,0,0|0,0,2]=4 11777 B10R1.178 CCC#CC(=O)C1COC1 1458a_100011827653_100000687716 [0,1,0,1,0,0|0,0,2]=4 11778 B10R1.178 CCC=CC(=O)C1CCC1 1458a_100000212282_100000749161 [0,1,0,1,0,0|0,0,2]=4 11779 B10R1.178 CCC=CC(=O)C1COC1 1458a_100000212282_100000687716 [0,1,0,1,0,0|0,0,2]=4 11780 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000209988_100000210211 [0,1,0,1,0,0|0,0,0]=2 11781 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000210183_100000749161 [0,1,0,1,0,0|0,0,0]=2 11782 B10R1.178 CCCCC(=O)C1CCO1 1458a_100000089072_100000210211 [0,1,0,1,0,0|0,0,0]=2 11783 B10R1.178 CCCCC(=O)C1COC1 1458a_100000210183_100000687716 [0,1,0,1,0,0|0,0,0]=2 11784 B10R1.178 CCCCC(=O)C1COC1 1458a_100000758290_100000210211 [0,1,0,1,0,0|0,0,0]=2 11785 B10R1.178 CCCCC(=O)N1CCC1 11a_100000754969_100000210183 [0,1,0,1,0,0|1,0,0]=3 11786 B10R1.178 CCCCC(=O)N1CCC1 240690a_100000754969_100000210183 [0,1,0,1,0,0|1,0,0]=3 11787 B10R1.178 CCCCC(=O)N1CCC1 527a_100000754969_100000210183 [0,1,0,1,0,0|1,0,0]=3 11788 B10R1.178 CCCCN(C)C1CCC1 2230a_100000758072_100000210211 [0,1,0,1,0,0|2,0,0]=4 11789 B10R1.178 CCCCN(C)C1CCC1 269982a_100000207549_100000749161 [0,1,0,1,0,0|2,0,0]=4 11790 B10R1.178 CCCCN(C)C1CCC1 269982a_100000758072_100000210211 [0,1,0,1,0,0|2,0,0]=4 11791 B10R1.178 CCCCN(C)C1CCC1 270004a_100000207549_100000241760 [0,1,0,1,0,0|2,0,0]=4 11792 B10R1.178 CCCCN(C)C1CCC1 34a_100000758072_100000210210 [0,1,0,1,0,0|2,0,0]=4 11793 B10R1.178 CCCCN(C)C1COC1 2230a_100102693430_100000210211 [0,1,0,1,0,0|2,0,0]=4 11794 B10R1.178 CCCCN(C)C1COC1 269982a_100000207549_100000687716 [0,1,0,1,0,0|2,0,0]=4 11795 B10R1.178 CCCCN(C)C1COC1 269982a_100102693430_100000210211 [0,1,0,1,0,0|2,0,0]=4 11796 B10R1.178 CCCNC(=O)C1CCC1 11a_100020643023_100000209988 [0,1,0,1,0,0|1,0,0]=3 11797 B10R1.178 CCCNC(=O)C1CCC1 1626a_100020643023_100000209988 [0,1,0,1,0,0|1,0,0]=3 11798 B10R1.178 CCCNC(=O)C1CCC1 240690a_100020643023_100000209988 [0,1,0,1,0,0|1,0,0]=3 11799 B10R1.178 CCCNC(=O)C1CCC1 527a_100020643023_100000209988 [0,1,0,1,0,0|1,0,0]=3 11800 B10R1.178 CCCNC(=O)C1CCO1 11a_100020643023_100000089072 [0,1,0,1,0,0|1,0,0]=3 11801 B10R1.178 CCCNC(=O)C1CCO1 1626a_100020643023_100000089072 [0,1,0,1,0,0|1,0,0]=3 11802 B10R1.178 CCCNC(=O)C1CCO1 240690a_100020643023_100000089072 [0,1,0,1,0,0|1,0,0]=3 11803 B10R1.178 CCCNC(=O)C1CCO1 527a_100020643023_100000089072 [0,1,0,1,0,0|1,0,0]=3 11804 B10R1.178 CCCNC(=O)C1COC1 11a_100020643023_100000758290 [0,1,0,1,0,0|1,0,0]=3 11805 B10R1.178 CCCNC(=O)C1COC1 1626a_100020643023_100000758290 [0,1,0,1,0,0|1,0,0]=3 11806 B10R1.178 CCCNC(=O)C1COC1 240690a_100020643023_100000758290 [0,1,0,1,0,0|1,0,0]=3 11807 B10R1.178 CCCNC(=O)C1COC1 527a_100020643023_100000758290 [0,1,0,1,0,0|1,0,0]=3 11808 B10R1.178 CCCNC(=O)N1CCC1 2708a_100020643023_100000754969 [0,1,0,1,0,0|2,0,0]=4 11809 B10R1.178 CCCNC(=O)N1CCC1 273464a_100020643023_100000754969 [0,1,0,1,0,0|2,0,0]=4 11810 B10R1.178 CCNCC(=O)C1CCC1 2230a_100015525214_100000686122 [0,1,0,1,0,0|1,0,0]=3 11811 B10R1.178 CCNCC(=O)N1CCC1 2230a_100015525214_100000185095 [0,1,0,1,0,0|2,0,0]=4 11812 B10R1.178 CCNNC(=O)C1CCC1 22a_100000756455_100000209988 [0,1,0,1,0,0|2,0,0]=4 11813 B10R1.178 CCNNC(=O)C1CCO1 22a_100000756455_100000089072 [0,1,0,1,0,0|2,0,0]=4 11814 B10R1.178 CCNNC(=O)C1COC1 22a_100000756455_100000758290 [0,1,0,1,0,0|2,0,0]=4 11815 B10R1.178 CCOCC(=O)C1CCC1 1458a_100000211967_100000749161 [0,1,0,1,0,0|1,0,0]=3 11816 B10R1.178 CCOCC(=O)C1CCC1 34a_100121572206_100000686122 [0,1,0,1,0,0|1,0,0]=3 11817 B10R1.178 CCOCC(=O)C1COC1 1458a_100000211967_100000687716 [0,1,0,1,0,0|1,0,0]=3 11818 B10R1.178 CCOCC(=O)N1CCC1 11a_100000754969_100000211967 [0,1,0,1,0,0|2,0,0]=4 11819 B10R1.178 CCOCC(=O)N1CCC1 240690a_100000754969_100000211967 [0,1,0,1,0,0|2,0,0]=4 11820 B10R1.178 CCOCC(=O)N1CCC1 34a_100121572206_100000185095 [0,1,0,1,0,0|2,0,0]=4 11821 B10R1.178 CCOCC(=O)N1CCC1 527a_100000754969_100000211967 [0,1,0,1,0,0|2,0,0]=4 11822 B10R1.178 CCSCC(=O)C1CCC1 1458a_100000230394_100000749161 [0,1,0,1,0,0|1,0,0]=3 11823 B10R1.178 CCSCC(=O)C1CCC1 62a_100000210202_100000686122 [0,1,0,1,0,0|1,0,0]=3 11824 B10R1.178 CCSCC(=O)C1CCC1 62a_100000686122_100000210202 [0,1,0,1,0,0|1,0,0]=3 11825 B10R1.178 CCSCC(=O)C1COC1 1458a_100000230394_100000687716 [0,1,0,1,0,0|1,0,0]=3 11826 B10R1.178 CCSCC(=O)N1CCC1 11a_100000754969_100000230394 [0,1,0,1,0,0|2,0,0]=4 11827 B10R1.178 CCSCC(=O)N1CCC1 240690a_100000754969_100000230394 [0,1,0,1,0,0|2,0,0]=4 11828 B10R1.178 CCSCC(=O)N1CCC1 527a_100000754969_100000230394 [0,1,0,1,0,0|2,0,0]=4 11829 B10R1.178 CCSCC(=O)N1CCC1 62a_100000185095_100000210202 [0,1,0,1,0,0|2,0,0]=4 11830 B10R1.178 CCSCC(=O)N1CCC1 62a_100000210202_100000185095 [0,1,0,1,0,0|2,0,0]=4 11831 B10R1.178 COCCC(=O)C1CCC1 1458a_100000209988_100000233755 [0,1,0,1,0,0|1,0,0]=3 11832 B10R1.178 COCCC(=O)C1CCC1 1458a_100000749529_100000749161 [0,1,0,1,0,0|1,0,0]=3 11833 B10R1.178 COCCC(=O)C1CCO1 1458a_100000089072_100000233755 [0,1,0,1,0,0|1,0,0]=3 11834 B10R1.178 COCCC(=O)C1COC1 1458a_100000749529_100000687716 [0,1,0,1,0,0|1,0,0]=3 11835 B10R1.178 COCCC(=O)C1COC1 1458a_100000758290_100000233755 [0,1,0,1,0,0|1,0,0]=3 11836 B10R1.178 COCCC(=O)N1CCC1 11a_100000754969_100000749529 [0,1,0,1,0,0|2,0,0]=4 11837 B10R1.178 COCCC(=O)N1CCC1 240690a_100000754969_100000749529 [0,1,0,1,0,0|2,0,0]=4 11838 B10R1.178 COCCC(=O)N1CCC1 527a_100000754969_100000749529 [0,1,0,1,0,0|2,0,0]=4 11839 B10R1.178 CSCCC(=O)C1CCC1 1458a_100000174002_100000749161 [0,1,0,1,0,0|1,0,0]=3 11840 B10R1.178 CSCCC(=O)C1CCC1 1458a_100000209988_100000751147 [0,1,0,1,0,0|1,0,0]=3 11841 B10R1.178 CSCCC(=O)C1CCO1 1458a_100000089072_100000751147 [0,1,0,1,0,0|1,0,0]=3 11842 B10R1.178 CSCCC(=O)C1COC1 1458a_100000174002_100000687716 [0,1,0,1,0,0|1,0,0]=3 11843 B10R1.178 CSCCC(=O)C1COC1 1458a_100000758290_100000751147 [0,1,0,1,0,0|1,0,0]=3 11844 B10R1.178 CSCCC(=O)N1CCC1 11a_100000754969_100000174002 [0,1,0,1,0,0|2,0,0]=4 11845 B10R1.178 CSCCC(=O)N1CCC1 240690a_100000754969_100000174002 [0,1,0,1,0,0|2,0,0]=4 11846 B10R1.178 CSCCC(=O)N1CCC1 527a_100000754969_100000174002 [0,1,0,1,0,0|2,0,0]=4 11847 B10R1.178 N#CCCC(=O)C1CCC1 1458a_100000209988_100011215226 [0,1,0,1,0,0|1,0,1]=4 11848 B10R1.178 N#CCCC(=O)C1CCC1 1458a_100011934036_100000749161 [0,1,0,1,0,0|1,0,1]=4 11849 B10R1.178 N#CCCC(=O)C1CCO1 1458a_100000089072_100011215226 [0,1,0,1,0,0|1,0,1]=4 11850 B10R1.178 N#CCCC(=O)C1COC1 1458a_100000758290_100011215226 [0,1,0,1,0,0|1,0,1]=4 11851 B10R1.178 N#CCCC(=O)C1COC1 1458a_100011934036_100000687716 [0,1,0,1,0,0|1,0,1]=4 11852 B10R1.178 O=C(CCCF)C1CCC1 1458a_100000209988_100011934791 [0,1,0,1,0,0|1,0,0]=3 11853 B10R1.178 O=C(CCCF)C1CCO1 1458a_100000089072_100011934791 [0,1,0,1,0,0|1,0,0]=3 11854 B10R1.178 O=C(CCCF)C1COC1 1458a_100000758290_100011934791 [0,1,0,1,0,0|1,0,0]=3 11855 B10R1.178 O=C(CCCO)C1CCC1 1458a_100000209988_100011215043 [0,1,0,1,0,0|1,0,0]=3 11856 B10R1.178 O=C(CCCO)C1CCO1 1458a_100000089072_100011215043 [0,1,0,1,0,0|1,0,0]=3 11857 B10R1.178 O=C(CCCO)C1COC1 1458a_100000758290_100011215043 [0,1,0,1,0,0|1,0,0]=3 11858 B10R1.178 O=C(CSCF)C1CCC1 62a_100000686122_100015361967 [0,1,0,1,0,0|2,0,0]=4 11859 B10R1.178 O=C(CSCF)C1CCC1 62a_100015361967_100000686122 [0,1,0,1,0,0|2,0,0]=4 11860 B10R1.178 O=C(NCCF)C1CCC1 11a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 11861 B10R1.178 O=C(NCCF)C1CCC1 1626a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 11862 B10R1.178 O=C(NCCF)C1CCC1 240690a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 11863 B10R1.178 O=C(NCCF)C1CCC1 527a_100000724931_100000209988 [0,1,0,1,0,0|2,0,0]=4 11864 B10R1.178 O=C(NCCF)C1CCO1 11a_100000724931_100000089072 [0,1,0,1,0,0|2,0,0]=4 11865 B10R1.178 O=C(NCCF)C1CCO1 1626a_100000724931_100000089072 [0,1,0,1,0,0|2,0,0]=4 11866 B10R1.178 O=C(NCCF)C1CCO1 240690a_100000724931_100000089072 [0,1,0,1,0,0|2,0,0]=4 11867 B10R1.178 O=C(NCCF)C1CCO1 527a_100000724931_100000089072 [0,1,0,1,0,0|2,0,0]=4 11868 B10R1.178 O=C(NCCF)C1COC1 11a_100000724931_100000758290 [0,1,0,1,0,0|2,0,0]=4 11869 B10R1.178 O=C(NCCF)C1COC1 1626a_100000724931_100000758290 [0,1,0,1,0,0|2,0,0]=4 11870 B10R1.178 O=C(NCCF)C1COC1 240690a_100000724931_100000758290 [0,1,0,1,0,0|2,0,0]=4 11871 B10R1.178 O=C(NCCF)C1COC1 527a_100000724931_100000758290 [0,1,0,1,0,0|2,0,0]=4 11872 B10R1.178 O=C(NCCO)C1CCC1 240690a_100000210304_100000209988 [0,1,0,1,0,0|2,0,0]=4 11873 B10R1.178 O=C(NCCO)C1CCC1 527a_100000210304_100000209988 [0,1,0,1,0,0|2,0,0]=4 11874 B10R1.178 O=C(NCCO)C1CCO1 240690a_100000210304_100000089072 [0,1,0,1,0,0|2,0,0]=4 11875 B10R1.178 O=C(NCCO)C1CCO1 527a_100000210304_100000089072 [0,1,0,1,0,0|2,0,0]=4 11876 B10R1.178 O=C(NCCO)C1COC1 240690a_100000210304_100000758290 [0,1,0,1,0,0|2,0,0]=4 11877 B10R1.178 O=C(NCCO)C1COC1 527a_100000210304_100000758290 [0,1,0,1,0,0|2,0,0]=4 11878 B10R1.182 C#CC(C)C(=O)C1CCC1 1458a_100000209988_200000035995 [0,1,0,1,0,0|0,0,1]=3 11879 B10R1.182 C#CC(C)C(=O)C1CCO1 1458a_100000089072_200000035995 [0,1,0,1,0,0|1,0,1]=4 11880 B10R1.182 C#CC(C)C(=O)C1COC1 1458a_100000758290_200000035995 [0,1,0,1,0,0|1,0,1]=4 11881 B10R1.182 C/C=C(\C)/C(=O)C1CCC1 1458a_100020587367_100000749161 [0,1,0,1,0,0|0,0,1]=3 11882 B10R1.182 C/C=C(\C)/C(=O)C1COC1 1458a_100020587367_100000687716 [0,1,0,1,0,0|1,0,1]=4 11883 B10R1.182 C/C=C(\C)/C(=O)N1CCC1 11a_100000754969_100020587367 [0,1,0,1,0,0|1,0,1]=4 11884 B10R1.182 C=CC(C)C(=O)C1CCC1 1458a_100011216780_100000749161 [0,1,0,1,0,0|0,0,1]=3 11885 B10R1.182 C=CC(C)C(=O)C1COC1 1458a_100011216780_100000687716 [0,1,0,1,0,0|1,0,1]=4 11886 B10R1.182 C=CC(C)C(=O)N1CCC1 11a_100000754969_100011216780 [0,1,0,1,0,0|1,0,1]=4 11887 B10R1.182 C=CC(C)C(=O)N1CCC1 240690a_100000754969_100011216780 [0,1,0,1,0,0|1,0,1]=4 11888 B10R1.182 C=CC(C)C(=O)N1CCC1 527a_100000754969_100011216780 [0,1,0,1,0,0|1,0,1]=4 11889 B10R1.182 CC(C#N)C(=O)C1CCC1 1458a_100000209988_100000703298 [0,1,0,1,0,0|0,0,1]=3 11890 B10R1.182 CC(C#N)C(=O)C1CCC1 1458a_100000753662_100000749161 [0,1,0,1,0,0|0,0,1]=3 11891 B10R1.182 CC(C#N)C(=O)C1CCO1 1458a_100000089072_100000703298 [0,1,0,1,0,0|1,0,1]=4 11892 B10R1.182 CC(C#N)C(=O)C1COC1 1458a_100000753662_100000687716 [0,1,0,1,0,0|1,0,1]=4 11893 B10R1.182 CC(C#N)C(=O)C1COC1 1458a_100000758290_100000703298 [0,1,0,1,0,0|1,0,1]=4 11894 B10R1.182 CC(C#N)C(=O)N1CCC1 11a_100000754969_100000753662 [0,1,0,1,0,0|1,0,1]=4 11895 B10R1.182 CC(C#N)C(=O)N1CCC1 240690a_100000754969_100000753662 [0,1,0,1,0,0|1,0,1]=4 11896 B10R1.182 CC(C#N)C(=O)N1CCC1 527a_100000754969_100000753662 [0,1,0,1,0,0|1,0,1]=4 11897 B10R1.182 CC(CO)N(C)C1CCC1 2230a_100000758072_100012180447 [0,1,0,1,0,0|2,0,0]=4 11898 B10R1.182 CC(CO)N(C)C1CCC1 269982a_100000693034_100000749161 [0,1,0,1,0,0|2,0,0]=4 11899 B10R1.182 CC(CO)N(C)C1CCC1 270004a_100000693034_100000241760 [0,1,0,1,0,0|2,0,0]=4 11900 B10R1.182 CC(CO)N(C)C1CCC1 34a_100000758072_100012180447 [0,1,0,1,0,0|2,0,0]=4 11901 B10R1.182 CCC(C)C(=O)C1CCC1 1458a_100000209988_100000758301 [0,1,0,1,0,0|0,0,0]=2 11902 B10R1.182 CCC(C)C(=O)C1CCC1 1458a_100011192722_100000749161 [0,1,0,1,0,0|0,0,0]=2 11903 B10R1.182 CCC(C)C(=O)C1CCO1 1458a_100000089072_100000758301 [0,1,0,1,0,0|1,0,0]=3 11904 B10R1.182 CCC(C)C(=O)C1COC1 1458a_100000758290_100000758301 [0,1,0,1,0,0|1,0,0]=3 11905 B10R1.182 CCC(C)C(=O)C1COC1 1458a_100011192722_100000687716 [0,1,0,1,0,0|1,0,0]=3 11906 B10R1.182 CCC(C)C(=O)N1CCC1 11a_100000754969_100011192722 [0,1,0,1,0,0|1,0,0]=3 11907 B10R1.182 CCC(C)C(=O)N1CCC1 240690a_100000754969_100011192722 [0,1,0,1,0,0|1,0,0]=3 11908 B10R1.182 CCC(C)C(=O)N1CCC1 527a_100000754969_100011192722 [0,1,0,1,0,0|1,0,0]=3 11909 B10R1.182 CCC(C)N(C)C1CCC1 2230a_100000758072_100000758301 [0,1,0,1,0,0|2,0,0]=4 11910 B10R1.182 CCC(C)N(C)C1CCC1 269982a_100000741768_100000749161 [0,1,0,1,0,0|2,0,0]=4 11911 B10R1.182 CCC(C)N(C)C1CCC1 269982a_100000758072_100000758301 [0,1,0,1,0,0|2,0,0]=4 11912 B10R1.182 CCC(C)N(C)C1CCC1 270004a_100000741768_100000241760 [0,1,0,1,0,0|2,0,0]=4 11913 B10R1.182 CCC(C)N(C)C1CCC1 34a_100000758072_100011215416 [0,1,0,1,0,0|2,0,0]=4 11914 B10R1.182 CCC(O)C(=O)C1CCC1 1458a_100011196387_100000749161 [0,1,0,1,0,0|1,0,0]=3 11915 B10R1.182 CCC(O)C(=O)C1COC1 1458a_100011196387_100000687716 [0,1,0,1,0,0|2,0,0]=4 11916 B10R1.182 CCC(O)C(=O)N1CCC1 240690a_100000754969_100011196387 [0,1,0,1,0,0|2,0,0]=4 11917 B10R1.182 CCN(C)C(=O)C1CCC1 11a_100000225621_100000209988 [0,1,0,1,0,0|1,0,0]=3 11918 B10R1.182 CCN(C)C(=O)C1CCC1 1626a_100000225621_100000209988 [0,1,0,1,0,0|1,0,0]=3 11919 B10R1.182 CCN(C)C(=O)C1CCC1 240690a_100000225621_100000209988 [0,1,0,1,0,0|1,0,0]=3 11920 B10R1.182 CCN(C)C(=O)C1CCC1 527a_100000225621_100000209988 [0,1,0,1,0,0|1,0,0]=3 11921 B10R1.182 CCN(C)C(=O)C1CCO1 11a_100000225621_100000089072 [0,1,0,1,0,0|2,0,0]=4 11922 B10R1.182 CCN(C)C(=O)C1CCO1 1626a_100000225621_100000089072 [0,1,0,1,0,0|2,0,0]=4 11923 B10R1.182 CCN(C)C(=O)C1CCO1 240690a_100000225621_100000089072 [0,1,0,1,0,0|2,0,0]=4 11924 B10R1.182 CCN(C)C(=O)C1CCO1 527a_100000225621_100000089072 [0,1,0,1,0,0|2,0,0]=4 11925 B10R1.182 CCN(C)C(=O)C1COC1 11a_100000225621_100000758290 [0,1,0,1,0,0|2,0,0]=4 11926 B10R1.182 CCN(C)C(=O)C1COC1 1626a_100000225621_100000758290 [0,1,0,1,0,0|2,0,0]=4 11927 B10R1.182 CCN(C)C(=O)C1COC1 240690a_100000225621_100000758290 [0,1,0,1,0,0|2,0,0]=4 11928 B10R1.182 CCN(C)C(=O)C1COC1 527a_100000225621_100000758290 [0,1,0,1,0,0|2,0,0]=4 11929 B10R1.182 CNC(=O)C(=O)C1CCC1 1458a_100011218921_100000749161 [0,1,0,1,0,0|1,0,1]=4 11930 B10R1.182 COC(C)C(=O)C1CCC1 1458a_100000743197_100000749161 [0,1,0,1,0,0|0,0,0]=2 11931 B10R1.182 COC(C)C(=O)C1COC1 1458a_100000743197_100000687716 [0,1,0,1,0,0|1,0,0]=3 11932 B10R1.182 COC(C)C(=O)N1CCC1 11a_100000754969_100000743197 [0,1,0,1,0,0|1,0,0]=3 11933 B10R1.182 COC(C)C(=O)N1CCC1 240690a_100000754969_100000743197 [0,1,0,1,0,0|1,0,0]=3 11934 B10R1.182 COC(C)C(=O)N1CCC1 527a_100000754969_100000743197 [0,1,0,1,0,0|1,0,0]=3 11935 B10R1.182 COC(C)N(C)C1CCC1 269982a_100000758072_100009879195 [0,1,0,1,0,0|2,0,0]=4 11936 B10R1.182 CSC(C)C(=O)C1CCC1 1458a_100000149566_100000749161 [0,1,0,1,0,0|0,0,0]=2 11937 B10R1.182 CSC(C)C(=O)C1COC1 1458a_100000149566_100000687716 [0,1,0,1,0,0|1,0,0]=3 11938 B10R1.182 CSC(C)C(=O)N1CCC1 11a_100000754969_100000149566 [0,1,0,1,0,0|1,0,0]=3 11939 B10R1.182 CSC(C)C(=O)N1CCC1 240690a_100000754969_100000149566 [0,1,0,1,0,0|1,0,0]=3 11940 B10R1.182 CSC(C)C(=O)N1CCC1 527a_100000754969_100000149566 [0,1,0,1,0,0|1,0,0]=3 11941 B10R1.182 C[C@H](CO)N(C)C1CCC1 269982a_100000758072_100016084084 [0,1,0,1,0,0|2,0,0]=4 11942 B10R1.182 O=C(C(O)CO)C1CCC1 1458a_100011215603_100000749161 [0,1,0,1,0,0|1,0,0]=3 11943 B10R1.182 O=C(C(O)CO)C1COC1 1458a_100011215603_100000687716 [0,1,0,1,0,0|2,0,0]=4 11944 B10R1.182 O=C(C(O)CO)N1CCC1 240690a_100000754969_100011215603 [0,1,0,1,0,0|2,0,0]=4 11945 B10R1.184 C#CC(C)C(=O)CC1CC1 1458a_100000738066_200000035995 [0,1,0,1,0,0|0,0,1]=3 11946 B10R1.184 C/C=C(\C)/C(=O)CC1CC1 1458a_100020587367_100000742324 [0,1,0,1,0,0|0,0,1]=3 11947 B10R1.184 C/C=C(\C)/C(=O)CC1CO1 1458a_100020587367_100011216344 [0,1,0,1,0,0|1,0,1]=4 11948 B10R1.184 C/C=C(\C)/C(=O)CC1CS1 1458a_100020587367_100000031435 [0,1,0,1,0,0|1,0,1]=4 11949 B10R1.184 C/C=C(\C)/C(=O)C[C@@H]1CO1 1458a_100020587367_100000745022 [0,1,0,1,0,0|1,0,1]=4 11950 B10R1.184 C/C=C(\C)/C(=O)NC1CC1 1626a_100000212008_100020587367 [0,1,0,1,0,0|1,0,1]=4 11951 B10R1.184 C=CC(C)C(=O)CC1CC1 1458a_100011216780_100000742324 [0,1,0,1,0,0|0,0,1]=3 11952 B10R1.184 C=CC(C)C(=O)CC1CO1 1458a_100011216780_100011216344 [0,1,0,1,0,0|1,0,1]=4 11953 B10R1.184 C=CC(C)C(=O)CC1CS1 1458a_100011216780_100000031435 [0,1,0,1,0,0|1,0,1]=4 11954 B10R1.184 C=CC(C)C(=O)C[C@@H]1CO1 1458a_100011216780_100000745022 [0,1,0,1,0,0|1,0,1]=4 11955 B10R1.184 C=CC(C)C(=O)NC1CC1 1626a_100000212008_100011216780 [0,1,0,1,0,0|1,0,1]=4 11956 B10R1.184 C=CC(C)C(=O)NC1CC1 240690a_100000212008_100011216780 [0,1,0,1,0,0|1,0,1]=4 11957 B10R1.184 C=CC(C)C(=O)NC1CC1 527a_100000212008_100011216780 [0,1,0,1,0,0|1,0,1]=4 11958 B10R1.184 CC(C#N)C(=O)CC1CC1 1458a_100000738066_100000703298 [0,1,0,1,0,0|0,0,1]=3 11959 B10R1.184 CC(C#N)C(=O)CC1CC1 1458a_100000753662_100000742324 [0,1,0,1,0,0|0,0,1]=3 11960 B10R1.184 CC(C#N)C(=O)CC1CO1 1458a_100000753662_100011216344 [0,1,0,1,0,0|1,0,1]=4 11961 B10R1.184 CC(C#N)C(=O)CC1CS1 1458a_100000753662_100000031435 [0,1,0,1,0,0|1,0,1]=4 11962 B10R1.184 CC(C#N)C(=O)C[C@@H]1CO1 1458a_100000753662_100000745022 [0,1,0,1,0,0|1,0,1]=4 11963 B10R1.184 CC(C#N)C(=O)NC1CC1 1626a_100000212008_100000753662 [0,1,0,1,0,0|1,0,1]=4 11964 B10R1.184 CC(C#N)C(=O)NC1CC1 240690a_100000212008_100000753662 [0,1,0,1,0,0|1,0,1]=4 11965 B10R1.184 CC(C#N)C(=O)NC1CC1 527a_100000212008_100000753662 [0,1,0,1,0,0|1,0,1]=4 11966 B10R1.184 CC(CO)N(C)CC1CC1 2230a_100000693034_100000742324 [0,1,0,1,0,0|2,0,0]=4 11967 B10R1.184 CC(CO)N(C)CC1CC1 2230a_100000741881_100012180447 [0,1,0,1,0,0|2,0,0]=4 11968 B10R1.184 CC(CO)N(C)CC1CC1 269982a_100000693034_100000756562 [0,1,0,1,0,0|2,0,0]=4 11969 B10R1.184 CC(S[13CH3])C(=O)NC1CC1 62a_100000179742_200025704644 [0,1,0,1,0,0|1,0,0]=3 11970 B10R1.184 CC(S[13CH3])C(=O)NC1CC1 62a_200025704644_100000179742 [0,1,0,1,0,0|1,0,0]=3 11971 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100000738066_100000758301 [0,1,0,1,0,0|0,0,0]=2 11972 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100011192722_100000742324 [0,1,0,1,0,0|0,0,0]=2 11973 B10R1.184 CCC(C)C(=O)CC1CO1 1458a_100011192722_100011216344 [0,1,0,1,0,0|1,0,0]=3 11974 B10R1.184 CCC(C)C(=O)CC1CS1 1458a_100011192722_100000031435 [0,1,0,1,0,0|1,0,0]=3 11975 B10R1.184 CCC(C)C(=O)C[C@@H]1CO1 1458a_100011192722_100000745022 [0,1,0,1,0,0|1,0,0]=3 11976 B10R1.184 CCC(C)C(=O)NC1CC1 1626a_100000212008_100011192722 [0,1,0,1,0,0|1,0,0]=3 11977 B10R1.184 CCC(C)C(=O)NC1CC1 240690a_100000212008_100011192722 [0,1,0,1,0,0|1,0,0]=3 11978 B10R1.184 CCC(C)C(=O)NC1CC1 527a_100000212008_100011192722 [0,1,0,1,0,0|1,0,0]=3 11979 B10R1.184 CCC(C)N(C)CC1CC1 2230a_100000741768_100000742324 [0,1,0,1,0,0|2,0,0]=4 11980 B10R1.184 CCC(C)N(C)CC1CC1 2230a_100000741881_100000758301 [0,1,0,1,0,0|2,0,0]=4 11981 B10R1.184 CCC(C)N(C)CC1CC1 269982a_100000741768_100000756562 [0,1,0,1,0,0|2,0,0]=4 11982 B10R1.184 CCC(C)N(C)CC1CC1 269982a_100000741881_100000758301 [0,1,0,1,0,0|2,0,0]=4 11983 B10R1.184 CCC(O)C(=O)CC1CC1 1458a_100011196387_100000742324 [0,1,0,1,0,0|1,0,0]=3 11984 B10R1.184 CCC(O)C(=O)CC1CO1 1458a_100011196387_100011216344 [0,1,0,1,0,0|2,0,0]=4 11985 B10R1.184 CCC(O)C(=O)CC1CS1 1458a_100011196387_100000031435 [0,1,0,1,0,0|2,0,0]=4 11986 B10R1.184 CCC(O)C(=O)C[C@@H]1CO1 1458a_100011196387_100000745022 [0,1,0,1,0,0|2,0,0]=4 11987 B10R1.184 CCC(O)C(=O)NC1CC1 240690a_100000212008_100011196387 [0,1,0,1,0,0|2,0,0]=4 11988 B10R1.184 CCN(C)C(=O)CC1CC1 11a_100000225621_100000738066 [0,1,0,1,0,0|1,0,0]=3 11989 B10R1.184 CCN(C)C(=O)CC1CC1 1626a_100000225621_100000738066 [0,1,0,1,0,0|1,0,0]=3 11990 B10R1.184 CCN(C)C(=O)CC1CC1 240690a_100000225621_100000738066 [0,1,0,1,0,0|1,0,0]=3 11991 B10R1.184 CCN(C)C(=O)CC1CC1 527a_100000225621_100000738066 [0,1,0,1,0,0|1,0,0]=3 11992 B10R1.184 CCN(C)C(=O)NC1CC1 2708a_100000212008_100000225621 [0,1,0,1,0,0|2,0,0]=4 11993 B10R1.184 CCN(C)C(=O)NC1CC1 273464a_100000212008_100000225621 [0,1,0,1,0,0|2,0,0]=4 11994 B10R1.184 CNC(=O)C(=O)CC1CC1 1458a_100011218921_100000742324 [0,1,0,1,0,0|1,0,1]=4 11995 B10R1.184 CNC(C)C(=O)NC1CC1 2230a_106832991635_100000179742 [0,1,0,1,0,0|1,0,0]=3 11996 B10R1.184 CNC(C)C(=O)NC1CC1 34a_100102657272_100000179742 [0,1,0,1,0,0|1,0,0]=3 11997 B10R1.184 CNC(C)C(=O)NC1CC1 7a_106832991635_100000179742 [0,1,0,1,0,0|1,0,0]=3 11998 B10R1.184 COC(C)C(=O)CC1CC1 1458a_100000743197_100000742324 [0,1,0,1,0,0|0,0,0]=2 11999 B10R1.184 COC(C)C(=O)CC1CO1 1458a_100000743197_100011216344 [0,1,0,1,0,0|1,0,0]=3 12000 B10R1.184 COC(C)C(=O)CC1CS1 1458a_100000743197_100000031435 [0,1,0,1,0,0|1,0,0]=3 12001 B10R1.184 COC(C)C(=O)C[C@@H]1CO1 1458a_100000743197_100000745022 [0,1,0,1,0,0|1,0,0]=3 12002 B10R1.184 COC(C)C(=O)NC1CC1 1626a_100000212008_100000743197 [0,1,0,1,0,0|1,0,0]=3 12003 B10R1.184 COC(C)C(=O)NC1CC1 240690a_100000212008_100000743197 [0,1,0,1,0,0|1,0,0]=3 12004 B10R1.184 COC(C)C(=O)NC1CC1 34a_100138415774_100000179742 [0,1,0,1,0,0|1,0,0]=3 12005 B10R1.184 COC(C)C(=O)NC1CC1 527a_100000212008_100000743197 [0,1,0,1,0,0|1,0,0]=3 12006 B10R1.184 COC(C)N(C)CC1CC1 269982a_100000741881_100009879195 [0,1,0,1,0,0|2,0,0]=4 12007 B10R1.184 CSC(C)C(=O)CC1CC1 1458a_100000149566_100000742324 [0,1,0,1,0,0|0,0,0]=2 12008 B10R1.184 CSC(C)C(=O)CC1CO1 1458a_100000149566_100011216344 [0,1,0,1,0,0|1,0,0]=3 12009 B10R1.184 CSC(C)C(=O)CC1CS1 1458a_100000149566_100000031435 [0,1,0,1,0,0|1,0,0]=3 12010 B10R1.184 CSC(C)C(=O)C[C@@H]1CO1 1458a_100000149566_100000745022 [0,1,0,1,0,0|1,0,0]=3 12011 B10R1.184 CSC(C)C(=O)NC1CC1 1626a_100000212008_100000149566 [0,1,0,1,0,0|1,0,0]=3 12012 B10R1.184 CSC(C)C(=O)NC1CC1 240690a_100000212008_100000149566 [0,1,0,1,0,0|1,0,0]=3 12013 B10R1.184 CSC(C)C(=O)NC1CC1 527a_100000212008_100000149566 [0,1,0,1,0,0|1,0,0]=3 12014 B10R1.184 CSC(C)C(=O)NC1CC1 62a_100000179742_200000210301 [0,1,0,1,0,0|1,0,0]=3 12015 B10R1.184 CSC(C)C(=O)NC1CC1 62a_200000210301_100000179742 [0,1,0,1,0,0|1,0,0]=3 12016 B10R1.184 C[C@H](CO)N(C)CC1CC1 269982a_100000741881_100016084084 [0,1,0,1,0,0|2,0,0]=4 12017 B10R1.184 O=C(CC1CC1)C(O)CO 1458a_100011215603_100000742324 [0,1,0,1,0,0|1,0,0]=3 12018 B10R1.184 O=C(CC1CO1)C(O)CO 1458a_100011215603_100011216344 [0,1,0,1,0,0|2,0,0]=4 12019 B10R1.184 O=C(CC1CS1)C(O)CO 1458a_100011215603_100000031435 [0,1,0,1,0,0|2,0,0]=4 12020 B10R1.184 O=C(C[C@@H]1CO1)C(O)CO 1458a_100011215603_100000745022 [0,1,0,1,0,0|2,0,0]=4 12021 B10R1.184 O=C(NC1CC1)C(O)CO 240690a_100000212008_100011215603 [0,1,0,1,0,0|2,0,0]=4 12022 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210211 [0,1,0,1,0,0|2,0,0]=4 12023 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210211 [0,1,0,1,0,0|2,0,0]=4 12024 B10R1.461 C#CC(C)C(=O)C1CC1C 1458a_100000211227_200000035995 [0,1,0,1,0,0|0,0,1]=3 12025 B10R1.461 C#CC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000035995 [0,1,0,1,0,0|1,0,1]=4 12026 B10R1.461 CC(C#N)C(=O)C1CC1C 1458a_100000211227_100000703298 [0,1,0,1,0,0|0,0,1]=3 12027 B10R1.461 CC(C#N)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000703298 [0,1,0,1,0,0|1,0,1]=4 12028 B10R1.461 CCC(C)C(=O)C1CC1C 1458a_100000211227_100000758301 [0,1,0,1,0,0|0,0,0]=2 12029 B10R1.461 CCC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000758301 [0,1,0,1,0,0|1,0,0]=3 12030 B10R1.461 CCN(C)C(=O)C1CC1C 11a_100000225621_100000211227 [0,1,0,1,0,0|1,0,0]=3 12031 B10R1.461 CCN(C)C(=O)C1CC1C 1626a_100000225621_100000211227 [0,1,0,1,0,0|1,0,0]=3 12032 B10R1.461 CCN(C)C(=O)C1CC1C 527a_100000225621_100000211227 [0,1,0,1,0,0|1,0,0]=3 12033 B10R1.461 CCN(C)C(=O)[C@@H]1C[C@@H]1F 11a_100000225621_100015396687 [0,1,0,1,0,0|2,0,0]=4 12034 B10R1.461 CCN(C)C(=O)[C@@H]1C[C@@H]1F 240690a_100000225621_100015396687 [0,1,0,1,0,0|2,0,0]=4 12035 B10R1.461 CCN(C)C(=O)[C@@H]1C[C@@H]1F 527a_100000225621_100015396687 [0,1,0,1,0,0|2,0,0]=4 12036 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 34a_100011539931_200025704644 [0,1,0,1,0,0|0,0,2]=4 12037 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 7a_100011539931_200025704644 [0,1,0,1,0,0|0,0,2]=4 12038 B10R1.25 COC1CCC(CC1C)C 34a_100011539931_200000210301 [0,1,0,1,0,0|0,0,2]=4 12039 B10R1.25 COC1CCC(CC1C)C 7a_100011539931_200000210301 [0,1,0,1,0,0|0,0,2]=4 12040 B10R1.31 CC(C)N1CCC(C1)CO 2230a_100000748654_100000210206 [0,1,0,1,0,0|2,0,0]=4 12041 B10R1.31 CC(C)N1CCC(C1)CO 269982a_100000748654_100000210206 [0,1,0,1,0,0|2,0,0]=4 12042 B10R1.31 CC(C)N1CCC(C1)CO 34a_100000748654_100000210206 [0,1,0,1,0,0|2,0,0]=4 12043 B10R1.31 CC(C)N1CCC(C1)N[13CH3] 2230a_100000746141_200025704644 [0,1,0,1,0,0|2,0,0]=4 12044 B10R1.31 CNC1CCN(C1)C(C)C 2230a_100000746141_200000210301 [0,1,0,1,0,0|2,0,0]=4 12045 B10R1.31 CO[C@@H]1CCN(C1)C(C)C 2230a_100000766984_100000210206 [0,1,0,1,0,0|2,0,0]=4 12046 B10R1.31 CO[C@@H]1CCN(C1)C(C)C 269982a_100000766984_100000210206 [0,1,0,1,0,0|2,0,0]=4 12047 B10R1.38 CNC1CCCCC1(C)C 269862a_106832991636_100000031690 [0,1,0,1,0,0|1,0,1]=4 12048 B10R1.195 CCCCN(CC)C1CC1 2230a_100000738653_100000210211 [0,1,0,1,0,0|2,0,0]=4 12049 B10R1.195 CCCCN(CC)C1CC1 269982a_100000207695_100000211595 [0,1,0,1,0,0|2,0,0]=4 12050 B10R1.195 CCCCN(CC)C1CC1 269982a_100000738653_100000210211 [0,1,0,1,0,0|2,0,0]=4 12051 B10R1.219 CCN(C(C)C)C1CCC1 2230a_100000758130_100000210206 [0,1,0,1,0,0|2,0,0]=4 12052 B10R1.219 CCN(C(C)C)C1CCC1 269982a_100000223864_100000749161 [0,1,0,1,0,0|2,0,0]=4 12053 B10R1.219 CCN(C(C)C)C1CCC1 269982a_100000758130_100000210206 [0,1,0,1,0,0|2,0,0]=4 12054 B10R1.219 CCN(C(C)C)C1CCC1 270004a_100000223864_100000241760 [0,1,0,1,0,0|2,0,0]=4 12055 B10R1.259 CC1CCN(C1(C)C)CF 269982a_102516457003_100015361967 [0,1,0,1,0,0|2,0,0]=4 12056 B10R1.259 CC1CCN(C1(C)C)CF 34a_102516457003_100015361967 [0,1,0,1,0,0|2,0,0]=4 12057 B10R1.259 CCN1CCC(C1(C)C)C 2230a_102516457003_100000210202 [0,1,0,1,0,0|1,0,1]=4 12058 B10R1.259 CCN1CCC(C1(C)C)C 269982a_102516457003_100000204670 [0,1,0,1,0,0|1,0,1]=4 12059 B10R1.259 CCN1CCC(C1(C)C)C 34a_102516457003_100000210202 [0,1,0,1,0,0|1,0,1]=4 12060 B10R1.348 CC(C)N1CCCCCC1 2230a_100000185865_100000210206 [0,1,0,1,0,0|2,0,0]=4 12061 B10R1.348 CC(C)N1CCCCCC1 269982a_100000185865_100000210206 [0,1,0,1,0,0|2,0,0]=4 12062 B10R1.348 CC(C)N1CCCCCC1 34a_100000185865_100000210206 [0,1,0,1,0,0|2,0,0]=4 12063 B10R1.348 CC(C)N1CCCOCC1 2230a_100000685342_100000210206 [0,1,0,1,0,0|2,0,0]=4 12064 B10R1.348 CC(C)N1CCCOCC1 269982a_100000685342_100000210206 [0,1,0,1,0,0|2,0,0]=4 12065 B10R1.348 CC(C)N1CCCOCC1 34a_100000685342_100000210206 [0,1,0,1,0,0|2,0,0]=4 12066 B10R1.469 CC(C)N(CF)CC1CC1 269982a_100000738798_100015361967 [0,1,0,1,0,0|2,0,0]=4 12067 B10R1.469 CC(C)N(CF)CC1CC1 34a_100000738798_100015361967 [0,1,0,1,0,0|2,0,0]=4 12068 B10R1.469 CCN(CC1CC1)C(C)C 2230a_100000223864_100000742324 [0,1,0,1,0,0|2,0,0]=4 12069 B10R1.469 CCN(CC1CC1)C(C)C 2230a_100000738798_100000210202 [0,1,0,1,0,0|2,0,0]=4 12070 B10R1.469 CCN(CC1CC1)C(C)C 269982a_100000223864_100000756562 [0,1,0,1,0,0|2,0,0]=4 12071 B10R1.469 CCN(CC1CC1)C(C)C 269982a_100000738798_100000204670 [0,1,0,1,0,0|2,0,0]=4 12072 B10R1.469 CCN(CC1CC1)C(C)C 34a_100000738798_100000210202 [0,1,0,1,0,0|2,0,0]=4 12073 B10R1.113 CC(C)N1CCCC(C1)F 2230a_100000697950_100000210206 [0,1,0,1,0,0|2,0,0]=4 12074 B10R1.113 CC(C)N1CCCC(C1)F 269982a_100000697950_100000210206 [0,1,0,1,0,0|2,0,0]=4 12075 B10R1.113 CC(C)N1CCCC(C1)F 34a_100000697950_100000210206 [0,1,0,1,0,0|2,0,0]=4 12076 B10R1.113 CC(C)N1CCCC(C1)O 2230a_100000211013_100000210206 [0,1,0,1,0,0|2,0,0]=4 12077 B10R1.113 CC(C)N1CCCC(C1)O 269982a_100000211013_100000210206 [0,1,0,1,0,0|2,0,0]=4 12078 B10R1.113 CC(C)N1CCC[C@@H](C1)C 2230a_100000717927_100000210206 [0,1,0,1,0,0|2,0,0]=4 12079 B10R1.113 CC(C)N1CCC[C@@H](C1)C 269982a_100000717927_100000210206 [0,1,0,1,0,0|2,0,0]=4 12080 B10R1.113 CC(C)N1CCC[C@@H](C1)C 34a_100000717927_100000210206 [0,1,0,1,0,0|2,0,0]=4 12081 B10R1.113 CC1CN(CCO1)C(C)C 2230a_100000729577_100000210206 [0,1,0,1,0,0|2,0,0]=4 12082 B10R1.113 CC1CN(CCO1)C(C)C 269982a_100000729577_100000210206 [0,1,0,1,0,0|2,0,0]=4 12083 B10R1.113 CC1CN(CCO1)C(C)C 34a_100000729577_100000210206 [0,1,0,1,0,0|2,0,0]=4 12084 B10R1.116 C=C(C)C(=O)N1CCC1C 11a_100000755817_100000185857 [0,1,0,1,0,0|0,0,2]=4 12085 B10R1.116 CC(C)C(=O)C1CCC1=O 1458a_100000210198_100009892977 [0,1,0,1,0,0|0,0,1]=3 12086 B10R1.116 CC(C)C(=O)N1CCC1C 11a_100000755817_100000210198 [0,1,0,1,0,0|0,0,0]=2 12087 B10R1.116 CC(C)C(=O)N1CCC1C 240690a_100000755817_100000210198 [0,1,0,1,0,0|0,0,0]=2 12088 B10R1.116 CC(C)C(=O)N1CCC1C 527a_100000755817_100000210198 [0,1,0,1,0,0|0,0,0]=2 12089 B10R1.116 CC(F)C(=O)C1CCC1=O 1458a_100000062450_100009892977 [0,1,0,1,0,0|1,0,1]=4 12090 B10R1.116 CC(F)C(=O)N1CCC1C 11a_100000755817_100000062450 [0,1,0,1,0,0|1,0,0]=3 12091 B10R1.116 CC(F)C(=O)N1CCC1C 240690a_100000755817_100000062450 [0,1,0,1,0,0|1,0,0]=3 12092 B10R1.116 CC(F)C(=O)N1CCC1C 527a_100000755817_100000062450 [0,1,0,1,0,0|1,0,0]=3 12093 B10R1.116 CC1CCN1C(=O)C(F)F 11a_100000755817_100000210393 [0,1,0,1,0,0|2,0,0]=4 12094 B10R1.116 CC1CCN1C(=O)C(F)F 240690a_100000755817_100000210393 [0,1,0,1,0,0|2,0,0]=4 12095 B10R1.116 CC1CCN1C(=O)C(F)F 527a_100000755817_100000210393 [0,1,0,1,0,0|2,0,0]=4 12096 B10R1.116 CC1CCN1C(=O)C(O)O 240690a_100000755817_100000233687 [0,1,0,1,0,0|2,0,0]=4 12097 B10R1.116 CC1CCN1C(=O)[C@@H](C)O 240690a_100000755817_100000717761 [0,1,0,1,0,0|1,0,0]=3 12098 B10R1.116 CC1CCN1C(=O)[C@H](C)O 240690a_100000755817_217856618621 [0,1,0,1,0,0|1,0,0]=3 12099 B10R1.116 C[C@@H](O)C(=O)C1CCC1=O 1458a_100000717761_100009892977 [0,1,0,1,0,0|1,0,1]=4 12100 B10R1.116 C[C@H](O)C(=O)C1CCC1=O 1458a_217856618621_100009892977 [0,1,0,1,0,0|1,0,1]=4 12101 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 2230a_100016994881_200000210301 [0,1,0,1,0,0|2,0,0]=4 12102 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 269982a_100016994881_200000210301 [0,1,0,1,0,0|2,0,0]=4 12103 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 34a_100016994881_200000210301 [0,1,0,1,0,0|2,0,0]=4 12104 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 2230a_100016994881_200025704644 [0,1,0,1,0,0|2,0,0]=4 12105 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 269982a_100016994881_200025704644 [0,1,0,1,0,0|2,0,0]=4 12106 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 34a_100016994881_200025704644 [0,1,0,1,0,0|2,0,0]=4 12107 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747405 [0,1,0,1,0,0|0,0,1]=3 12108 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210414_100000746382 [0,1,0,1,0,0|0,0,1]=3 12109 B10R1.134 CCC(=O)CC(=O)C1CO1 1458a_100000701028_100000747405 [0,1,0,1,0,0|1,0,1]=4 12110 B10R1.134 CCC(C)CC(=O)C1CC1 1458a_100000210395_100000748023 [0,1,0,1,0,0|0,0,0]=2 12111 B10R1.134 CCC(C)CC(=O)C1CO1 1458a_100000701028_100000748023 [0,1,0,1,0,0|1,0,0]=3 12112 B10R1.134 CCC(C)CN(C)C1CC1 2230a_100000226674_100000748023 [0,1,0,1,0,0|2,0,0]=4 12113 B10R1.134 CCC(C)CN(C)C1CC1 269982a_100000226674_100000748023 [0,1,0,1,0,0|2,0,0]=4 12114 B10R1.134 CCC(C)CN(C)C1CC1 269982a_100000753921_100000211595 [0,1,0,1,0,0|2,0,0]=4 12115 B10R1.134 CCC(C)CN(C)C1CC1 270004a_100000226674_100000243153 [0,1,0,1,0,0|2,0,0]=4 12116 B10R1.134 CCC(C)NC(=O)C1CC1 11a_100000209981_100000210395 [0,1,0,1,0,0|1,0,0]=3 12117 B10R1.134 CCC(C)NC(=O)C1CC1 1626a_100000209981_100000210395 [0,1,0,1,0,0|1,0,0]=3 12118 B10R1.134 CCC(C)NC(=O)C1CC1 240690a_100000209981_100000210395 [0,1,0,1,0,0|1,0,0]=3 12119 B10R1.134 CCC(C)NC(=O)C1CC1 527a_100000209981_100000210395 [0,1,0,1,0,0|1,0,0]=3 12120 B10R1.134 CCC(C)NC(=O)C1CO1 11a_100000209981_100000701028 [0,1,0,1,0,0|2,0,0]=4 12121 B10R1.134 CCC(C)NC(=O)C1CO1 1626a_100000209981_100000701028 [0,1,0,1,0,0|2,0,0]=4 12122 B10R1.134 CCC(C)NC(=O)C1CO1 240690a_100000209981_100000701028 [0,1,0,1,0,0|2,0,0]=4 12123 B10R1.134 CCC(C)NC(=O)C1CO1 527a_100000209981_100000701028 [0,1,0,1,0,0|2,0,0]=4 12124 B10R1.134 CCC(O)CC(=O)C1CC1 1458a_100000210395_100011218378 [0,1,0,1,0,0|0,0,0]=2 12125 B10R1.134 CCC(O)CC(=O)C1CO1 1458a_100000701028_100011218378 [0,1,0,1,0,0|1,0,0]=3 12126 B10R1.134 CCC(O)CN(C)C1CC1 2230a_100000226674_100011218378 [0,1,0,1,0,0|2,0,0]=4 12127 B10R1.134 CCC(O)CN(C)C1CC1 269982a_100000226674_100011218378 [0,1,0,1,0,0|2,0,0]=4 12128 B10R1.134 CCN(C)CC(=O)C1CC1 2230a_100000225621_100000746382 [0,1,0,1,0,0|1,0,0]=3 12129 B10R1.134 CCN(C)CC(=O)C1CC1 269982a_100000225621_100000746382 [0,1,0,1,0,0|1,0,0]=3 12130 B10R1.134 CC[C@H](C)CC(=O)C1CC1 1458a_100000210395_100009816398 [0,1,0,1,0,0|0,0,0]=2 12131 B10R1.134 CC[C@H](C)CC(=O)C1CO1 1458a_100000701028_100009816398 [0,1,0,1,0,0|1,0,0]=3 12132 B10R1.134 CC[C@H](C)CN(C)C1CC1 2230a_100000226674_100009816398 [0,1,0,1,0,0|2,0,0]=4 12133 B10R1.134 CC[C@H](C)CN(C)C1CC1 269982a_100000226674_100009816398 [0,1,0,1,0,0|2,0,0]=4 12134 B10R1.134 CNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183359 [0,1,0,1,0,0|1,0,1]=4 12135 B10R1.134 COC(=O)CC(=O)C1CC1 1458a_100000210395_100000747449 [0,1,0,1,0,0|1,0,1]=4 12136 B10R1.134 C[C@@H](CO)CC(=O)C1CC1 1458a_100000210395_100000059175 [0,1,0,1,0,0|1,0,0]=3 12137 B10R1.134 C[C@@H](CO)CC(=O)C1CO1 1458a_100000701028_100000059175 [0,1,0,1,0,0|2,0,0]=4 12138 B10R1.134 C[C@H](CF)NC(=O)C1CC1 11a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 12139 B10R1.134 C[C@H](CF)NC(=O)C1CC1 1626a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 12140 B10R1.134 C[C@H](CF)NC(=O)C1CC1 240690a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 12141 B10R1.134 C[C@H](CF)NC(=O)C1CC1 527a_100102880703_100000210395 [0,1,0,1,0,0|2,0,0]=4 12142 B10R1.134 C[C@H](CO)NC(=O)C1CC1 240690a_100000737577_100000210395 [0,1,0,1,0,0|2,0,0]=4 12143 B10R1.134 C[C@H](CO)NC(=O)C1CC1 527a_100000737577_100000210395 [0,1,0,1,0,0|2,0,0]=4 12144 B10R1.134 O=C(CO)CC(=O)C1CC1 1458a_100000210174_100000746382 [0,1,0,1,0,0|1,0,1]=4 12145 B10R1.203 CC(C)C(=O)CC1(CC1)C 1458a_100000112800_100000210206 [0,1,0,1,0,0|0,0,0]=2 12146 B10R1.203 CC(C)C(=O)CC1(CO1)C 1458a_100000210198_100000760498 [0,1,0,1,0,0|1,0,0]=3 12147 B10R1.203 CC(C)C(=O)NC1(CC1)C 11a_100000757604_100000210198 [0,1,0,1,0,0|1,0,0]=3 12148 B10R1.203 CC(C)C(=O)NC1(CC1)C 1626a_100000757604_100000210198 [0,1,0,1,0,0|1,0,0]=3 12149 B10R1.203 CC(C)C(=O)NC1(CC1)C 240690a_100000757604_100000210198 [0,1,0,1,0,0|1,0,0]=3 12150 B10R1.203 CC(C)C(=O)NC1(CC1)C 527a_100000757604_100000210198 [0,1,0,1,0,0|1,0,0]=3 12151 B10R1.203 CC(F)C(=O)CC1(CO1)C 1458a_100000062450_100000760498 [0,1,0,1,0,0|2,0,0]=4 12152 B10R1.203 CC(F)C(=O)NC1(CC1)C 11a_100000757604_100000062450 [0,1,0,1,0,0|2,0,0]=4 12153 B10R1.203 CC(F)C(=O)NC1(CC1)C 1626a_100000757604_100000062450 [0,1,0,1,0,0|2,0,0]=4 12154 B10R1.203 CC(F)C(=O)NC1(CC1)C 240690a_100000757604_100000062450 [0,1,0,1,0,0|2,0,0]=4 12155 B10R1.203 CC(F)C(=O)NC1(CC1)C 527a_100000757604_100000062450 [0,1,0,1,0,0|2,0,0]=4 12156 B10R1.203 CN(C)C(=O)CC1(CC1)C 11a_100102631434_100000112800 [0,1,0,1,0,0|1,0,0]=3 12157 B10R1.203 CN(C)C(=O)CC1(CC1)C 1626a_100102631434_100000112800 [0,1,0,1,0,0|1,0,0]=3 12158 B10R1.203 CN(C)C(=O)CC1(CC1)C 240690a_100102631434_100000112800 [0,1,0,1,0,0|1,0,0]=3 12159 B10R1.203 CN(C)C(=O)CC1(CC1)C 527a_100102631434_100000112800 [0,1,0,1,0,0|1,0,0]=3 12160 B10R1.203 C[C@@H](O)C(=O)CC1(CO1)C 1458a_100000717761_100000760498 [0,1,0,1,0,0|2,0,0]=4 12161 B10R1.203 C[C@@H](O)C(=O)NC1(CC1)C 240690a_100000757604_100000717761 [0,1,0,1,0,0|2,0,0]=4 12162 B10R1.203 C[C@H](O)C(=O)CC1(CO1)C 1458a_217856618621_100000760498 [0,1,0,1,0,0|2,0,0]=4 12163 B10R1.203 C[C@H](O)C(=O)NC1(CC1)C 1626a_100000757604_217856618621 [0,1,0,1,0,0|2,0,0]=4 12164 B10R1.203 C[C@H](O)C(=O)NC1(CC1)C 240690a_100000757604_217856618621 [0,1,0,1,0,0|2,0,0]=4 12165 B10R1.204 C=C(C)C(=O)CC1CCC1 1458a_100000185857_100000763275 [0,1,0,1,0,0|0,0,2]=4 12166 B10R1.204 C=C(C)C(=O)CC1CCO1 1458a_100000185857_100000103362 [0,1,0,1,0,0|0,0,2]=4 12167 B10R1.204 C=C(C)C(=O)CC1COC1 1458a_100000185857_100010264016 [0,1,0,1,0,0|0,0,2]=4 12168 B10R1.204 C=C(C)C(=O)NC1CCC1 11a_100000749019_100000185857 [0,1,0,1,0,0|0,0,2]=4 12169 B10R1.204 C=C(C)C(=O)NC1CCC1 1626a_100000749019_100000185857 [0,1,0,1,0,0|0,0,2]=4 12170 B10R1.204 CC(=O)C(=O)CN1CCC1 269982a_100000754969_100011261029 [0,1,0,1,0,0|1,0,1]=4 12171 B10R1.204 CC(C)C(=O)C=C1CCC1 1458a_100000686340_100000210206 [0,1,0,1,0,0|0,0,1]=3 12172 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000210198_100000763275 [0,1,0,1,0,0|0,0,0]=2 12173 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000763092_100000210206 [0,1,0,1,0,0|0,0,0]=2 12174 B10R1.204 CC(C)C(=O)CC1CCO1 1458a_100000210198_100000103362 [0,1,0,1,0,0|0,0,0]=2 12175 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000210198_100010264016 [0,1,0,1,0,0|0,0,0]=2 12176 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000687760_100000210206 [0,1,0,1,0,0|0,0,0]=2 12177 B10R1.204 CC(C)C(=O)CN1CCC1 269982a_100000754969_100000753385 [0,1,0,1,0,0|0,0,0]=2 12178 B10R1.204 CC(C)C(=O)NC1CCC1 11a_100000749019_100000210198 [0,1,0,1,0,0|0,0,0]=2 12179 B10R1.204 CC(C)C(=O)NC1CCC1 1626a_100000749019_100000210198 [0,1,0,1,0,0|0,0,0]=2 12180 B10R1.204 CC(C)C(=O)NC1CCC1 240690a_100000749019_100000210198 [0,1,0,1,0,0|0,0,0]=2 12181 B10R1.204 CC(C)C(=O)NC1CCC1 527a_100000749019_100000210198 [0,1,0,1,0,0|0,0,0]=2 12182 B10R1.204 CC(C)C(=O)NC1COC1 11a_100016991112_100000210198 [0,1,0,1,0,0|1,0,0]=3 12183 B10R1.204 CC(C)C(=O)NC1COC1 1626a_100016991112_100000210198 [0,1,0,1,0,0|1,0,0]=3 12184 B10R1.204 CC(C)C(=O)NC1COC1 240690a_100016991112_100000210198 [0,1,0,1,0,0|1,0,0]=3 12185 B10R1.204 CC(C)C(=O)NC1COC1 527a_100016991112_100000210198 [0,1,0,1,0,0|1,0,0]=3 12186 B10R1.204 CC(C)C(=O)NC1CSC1 11a_100016994217_100000210198 [0,1,0,1,0,0|1,0,0]=3 12187 B10R1.204 CC(C)C(=O)NC1CSC1 1626a_100016994217_100000210198 [0,1,0,1,0,0|1,0,0]=3 12188 B10R1.204 CC(C)C(=O)NC1CSC1 240690a_100016994217_100000210198 [0,1,0,1,0,0|1,0,0]=3 12189 B10R1.204 CC(C)C(=O)NC1CSC1 527a_100016994217_100000210198 [0,1,0,1,0,0|1,0,0]=3 12190 B10R1.204 CC(C)C(C)NC1CCC1 270004a_100000211541_100000241760 [0,1,0,1,0,0|1,0,1]=4 12191 B10R1.204 CC(C)N(C)CC1CCC1 2230a_200000750244_100000210206 [0,1,0,1,0,0|2,0,0]=4 12192 B10R1.204 CC(C)N(C)CC1CCC1 269982a_200000211004_100000763275 [0,1,0,1,0,0|2,0,0]=4 12193 B10R1.204 CC(C)N(C)CC1CCC1 269982a_200000750244_100000210206 [0,1,0,1,0,0|2,0,0]=4 12194 B10R1.204 CC(C)N(C)CC1CCC1 34a_200000750244_100000210206 [0,1,0,1,0,0|2,0,0]=4 12195 B10R1.204 CC(C)N(C)CC1CCO1 269982a_200000211004_100000103362 [0,1,0,1,0,0|2,0,0]=4 12196 B10R1.204 CC(C)N(C)CC1COC1 269982a_200000211004_100010264016 [0,1,0,1,0,0|2,0,0]=4 12197 B10R1.204 CC(F)C(=O)CC1CCC1 1458a_100000062450_100000763275 [0,1,0,1,0,0|1,0,0]=3 12198 B10R1.204 CC(F)C(=O)CC1CCO1 1458a_100000062450_100000103362 [0,1,0,1,0,0|1,0,0]=3 12199 B10R1.204 CC(F)C(=O)CC1COC1 1458a_100000062450_100010264016 [0,1,0,1,0,0|1,0,0]=3 12200 B10R1.204 CC(F)C(=O)NC1CCC1 11a_100000749019_100000062450 [0,1,0,1,0,0|1,0,0]=3 12201 B10R1.204 CC(F)C(=O)NC1CCC1 1626a_100000749019_100000062450 [0,1,0,1,0,0|1,0,0]=3 12202 B10R1.204 CC(F)C(=O)NC1CCC1 240690a_100000749019_100000062450 [0,1,0,1,0,0|1,0,0]=3 12203 B10R1.204 CC(F)C(=O)NC1CCC1 527a_100000749019_100000062450 [0,1,0,1,0,0|1,0,0]=3 12204 B10R1.204 CC(F)C(=O)NC1COC1 11a_100016991112_100000062450 [0,1,0,1,0,0|2,0,0]=4 12205 B10R1.204 CC(F)C(=O)NC1COC1 1626a_100016991112_100000062450 [0,1,0,1,0,0|2,0,0]=4 12206 B10R1.204 CC(F)C(=O)NC1COC1 240690a_100016991112_100000062450 [0,1,0,1,0,0|2,0,0]=4 12207 B10R1.204 CC(F)C(=O)NC1COC1 527a_100016991112_100000062450 [0,1,0,1,0,0|2,0,0]=4 12208 B10R1.204 CC(F)C(=O)NC1CSC1 11a_100016994217_100000062450 [0,1,0,1,0,0|2,0,0]=4 12209 B10R1.204 CC(F)C(=O)NC1CSC1 1626a_100016994217_100000062450 [0,1,0,1,0,0|2,0,0]=4 12210 B10R1.204 CC(F)C(=O)NC1CSC1 240690a_100016994217_100000062450 [0,1,0,1,0,0|2,0,0]=4 12211 B10R1.204 CC(F)C(=O)NC1CSC1 527a_100016994217_100000062450 [0,1,0,1,0,0|2,0,0]=4 12212 B10R1.204 CN(C)C(=O)C=C1CCC1 11a_100102631434_100000686340 [0,1,0,1,0,0|1,0,1]=4 12213 B10R1.204 CN(C)C(=O)C=C1CCC1 240690a_100102631434_100000686340 [0,1,0,1,0,0|1,0,1]=4 12214 B10R1.204 CN(C)C(=O)CC1CCC1 11a_100102631434_100000763092 [0,1,0,1,0,0|1,0,0]=3 12215 B10R1.204 CN(C)C(=O)CC1CCC1 1626a_100102631434_100000763092 [0,1,0,1,0,0|1,0,0]=3 12216 B10R1.204 CN(C)C(=O)CC1CCC1 240690a_100102631434_100000763092 [0,1,0,1,0,0|1,0,0]=3 12217 B10R1.204 CN(C)C(=O)CC1CCC1 527a_100102631434_100000763092 [0,1,0,1,0,0|1,0,0]=3 12218 B10R1.204 CN(C)C(=O)CC1COC1 11a_100102631434_100000687760 [0,1,0,1,0,0|1,0,0]=3 12219 B10R1.204 CN(C)C(=O)CC1COC1 1626a_100102631434_100000687760 [0,1,0,1,0,0|1,0,0]=3 12220 B10R1.204 CN(C)C(=O)CN1CCC1 269982a_100000754969_100000185267 [0,1,0,1,0,0|1,0,0]=3 12221 B10R1.204 CN(C)C(=O)NC1COC1 2708a_100016991112_100102631434 [0,1,0,1,0,0|2,0,0]=4 12222 B10R1.204 CN(C)C(=O)NC1CSC1 2708a_100016994217_100102631434 [0,1,0,1,0,0|2,0,0]=4 12223 B10R1.204 C[C@@H](O)C(=O)CC1CCC1 1458a_100000717761_100000763275 [0,1,0,1,0,0|1,0,0]=3 12224 B10R1.204 C[C@@H](O)C(=O)CC1CCO1 1458a_100000717761_100000103362 [0,1,0,1,0,0|1,0,0]=3 12225 B10R1.204 C[C@@H](O)C(=O)CC1COC1 1458a_100000717761_100010264016 [0,1,0,1,0,0|1,0,0]=3 12226 B10R1.204 C[C@@H](O)C(=O)NC1CCC1 240690a_100000749019_100000717761 [0,1,0,1,0,0|1,0,0]=3 12227 B10R1.204 C[C@@H](O)C(=O)NC1COC1 240690a_100016991112_100000717761 [0,1,0,1,0,0|2,0,0]=4 12228 B10R1.204 C[C@@H](O)C(=O)NC1CSC1 240690a_100016994217_100000717761 [0,1,0,1,0,0|2,0,0]=4 12229 B10R1.204 C[C@H](O)C(=O)CC1CCC1 1458a_217856618621_100000763275 [0,1,0,1,0,0|1,0,0]=3 12230 B10R1.204 C[C@H](O)C(=O)CC1CCO1 1458a_217856618621_100000103362 [0,1,0,1,0,0|1,0,0]=3 12231 B10R1.204 C[C@H](O)C(=O)CC1COC1 1458a_217856618621_100010264016 [0,1,0,1,0,0|1,0,0]=3 12232 B10R1.204 C[C@H](O)C(=O)NC1CCC1 1626a_100000749019_217856618621 [0,1,0,1,0,0|1,0,0]=3 12233 B10R1.204 C[C@H](O)C(=O)NC1CCC1 240690a_100000749019_217856618621 [0,1,0,1,0,0|1,0,0]=3 12234 B10R1.204 C[C@H](O)C(=O)NC1COC1 1626a_100016991112_217856618621 [0,1,0,1,0,0|2,0,0]=4 12235 B10R1.204 C[C@H](O)C(=O)NC1COC1 240690a_100016991112_217856618621 [0,1,0,1,0,0|2,0,0]=4 12236 B10R1.204 C[C@H](O)C(=O)NC1CSC1 1626a_100016994217_217856618621 [0,1,0,1,0,0|2,0,0]=4 12237 B10R1.204 C[C@H](O)C(=O)NC1CSC1 240690a_100016994217_217856618621 [0,1,0,1,0,0|2,0,0]=4 12238 B10R1.204 O=C(CC1CCC1)C(O)O 1458a_100000233687_100000763275 [0,1,0,1,0,0|2,0,0]=4 12239 B10R1.204 O=C(CC1CCO1)C(O)O 1458a_100000233687_100000103362 [0,1,0,1,0,0|2,0,0]=4 12240 B10R1.204 O=C(CC1COC1)C(O)O 1458a_100000233687_100010264016 [0,1,0,1,0,0|2,0,0]=4 12241 B10R1.204 O=C(NC1CCC1)C(F)F 11a_100000749019_100000210393 [0,1,0,1,0,0|2,0,0]=4 12242 B10R1.204 O=C(NC1CCC1)C(F)F 1626a_100000749019_100000210393 [0,1,0,1,0,0|2,0,0]=4 12243 B10R1.204 O=C(NC1CCC1)C(F)F 240690a_100000749019_100000210393 [0,1,0,1,0,0|2,0,0]=4 12244 B10R1.204 O=C(NC1CCC1)C(F)F 527a_100000749019_100000210393 [0,1,0,1,0,0|2,0,0]=4 12245 B10R1.204 O=C(NC1CCC1)C(O)O 240690a_100000749019_100000233687 [0,1,0,1,0,0|2,0,0]=4 12246 B10R1.235 CCC1(CN(C1)C(C)C)O 2230a_100015191684_100000210206 [0,1,0,1,0,0|2,0,0]=4 12247 B10R1.235 CCC1(CN(C1)C(C)C)O 269982a_100015191684_100000210206 [0,1,0,1,0,0|2,0,0]=4 12248 B10R1.277 CC1CN(CCCN1C)C 269982a_100011935175_200000210301 [0,1,0,1,0,0|2,0,0]=4 12249 B10R1.277 CC1CN(CCCN1[13CH3])C 269982a_100011935175_200025704644 [0,1,0,1,0,0|2,0,0]=4 12250 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 12251 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 12252 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 12253 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 12254 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 12255 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 12256 B10R1.463 CCC(C)CN1CCC1C 269982a_100000755817_100000748023 [0,1,0,1,0,0|2,0,0]=4 12257 B10R1.463 CCC(C)CN1CCC1C 34a_100000755817_100000748023 [0,1,0,1,0,0|2,0,0]=4 12258 B10R1.463 CCC(O)CN1CCC1C 269982a_100000755817_100011218378 [0,1,0,1,0,0|2,0,0]=4 12259 B10R1.463 CCC(O)CN1CCC1C 34a_100000755817_100011218378 [0,1,0,1,0,0|2,0,0]=4 12260 B10R1.463 CC[C@H](C)CN1CCC1C 269982a_100000755817_100009816398 [0,1,0,1,0,0|2,0,0]=4 12261 B10R1.463 CC[C@H](C)CN1CCC1C 34a_100000755817_100009816398 [0,1,0,1,0,0|2,0,0]=4 12262 B10R1.37 CC1CCN1CCCCF 269982a_100000755817_100000729493 [0,1,0,1,0,0|2,0,0]=4 12263 B10R1.37 CC1CCN1CCCCF 34a_100000755817_100000729493 [0,1,0,1,0,0|2,0,0]=4 12264 B10R1.37 CC1CCN1CCCCO 269982a_100000755817_100000210776 [0,1,0,1,0,0|2,0,0]=4 12265 B10R1.37 CC1CCN1CCCCO 34a_100000755817_100011216708 [0,1,0,1,0,0|2,0,0]=4 12266 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [0,1,0,1,0,0|2,0,0]=4 12267 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [0,1,0,1,0,0|2,0,0]=4 12268 B10R1.37 CCOCCN1CCC1C 269982a_100000755817_100011215890 [0,1,0,1,0,0|2,0,0]=4 12269 B10R1.37 CCOCCN1CCC1C 34a_100000755817_100000210147 [0,1,0,1,0,0|2,0,0]=4 12270 B10R1.37 CCSCCN1CCC1C 269982a_100000755817_100000757381 [0,1,0,1,0,0|2,0,0]=4 12271 B10R1.37 CCSCCN1CCC1C 34a_100000755817_100000757381 [0,1,0,1,0,0|2,0,0]=4 12272 B10R1.37 COCCCN1CCC1C 269982a_100000755817_100000740836 [0,1,0,1,0,0|2,0,0]=4 12273 B10R1.37 COCCCN1CCC1C 34a_100000755817_100000740836 [0,1,0,1,0,0|2,0,0]=4 12274 B10R1.93 CCOC1CN(C1)C(C)C 269982a_100000732654_100000210206 [0,1,0,1,0,0|2,0,0]=4 12275 B10R1.93 CCOC1CN(C1)C(C)C 34a_100000732654_100000210206 [0,1,0,1,0,0|2,0,0]=4 12276 B10R1.93 COCC1CN(C1)C(C)C 2230a_100016993750_100000210206 [0,1,0,1,0,0|2,0,0]=4 12277 B10R1.93 COCC1CN(C1)C(C)C 269982a_100016993750_100000210206 [0,1,0,1,0,0|2,0,0]=4 12278 B10R1.93 COCC1CN(C1)C(C)C 34a_100016993750_100000210206 [0,1,0,1,0,0|2,0,0]=4 12279 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 2230a_100000751695_200025704644 [0,1,0,1,0,0|1,0,0]=3 12280 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 269982a_100000751695_200025704644 [0,1,0,1,0,0|1,0,0]=3 12281 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 34a_100000751695_200025704644 [0,1,0,1,0,0|1,0,0]=3 12282 B10R1.114 CN1CCNC(=O)C1(C)C 2230a_100000751695_200000210301 [0,1,0,1,0,0|1,0,0]=3 12283 B10R1.114 CN1CCNC(=O)C1(C)C 269982a_100000751695_200000210301 [0,1,0,1,0,0|1,0,0]=3 12284 B10R1.114 CN1CCNC(=O)C1(C)C 34a_100000751695_200000210301 [0,1,0,1,0,0|1,0,0]=3 12285 B10R1.131 CCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210303 [0,1,0,1,0,0|0,0,2]=4 12286 B10R1.131 CCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210303 [0,1,0,1,0,0|0,0,2]=4 12287 B10R1.131 CCNC1CC(=O)N(C1)C 2230a_100000748898_100000210202 [0,1,0,1,0,0|1,0,0]=3 12288 B10R1.131 CCNC1CC(=O)N(C1)C 34a_100000748898_100000210202 [0,1,0,1,0,0|1,0,0]=3 12289 B10R1.131 CN1CC(CC1=O)CO[13CH3] 34a_100015185614_200025704644 [0,1,0,1,0,0|1,0,0]=3 12290 B10R1.131 CN1CC(CC1=O)NCF 34a_100000748898_100015361967 [0,1,0,1,0,0|2,0,0]=4 12291 B10R1.131 COCC1CC(=O)N(C1)C 34a_100015185614_200000210301 [0,1,0,1,0,0|1,0,0]=3 12292 B10R1.186 C#CCCCC(=O)C1CC1 1458a_100000210395_100000731252 [0,1,0,1,0,0|0,0,1]=3 12293 B10R1.186 C#CCCCC(=O)C1CO1 1458a_100000701028_100000731252 [0,1,0,1,0,0|1,0,1]=4 12294 B10R1.186 C#CCCNC(=O)C1CC1 11a_100000755551_100000210395 [0,1,0,1,0,0|0,0,2]=4 12295 B10R1.186 C#CCCNC(=O)C1CC1 1626a_100000755551_100000210395 [0,1,0,1,0,0|0,0,2]=4 12296 B10R1.186 C#CCCNC(=O)C1CC1 240690a_100000755551_100000210395 [0,1,0,1,0,0|0,0,2]=4 12297 B10R1.186 C#CCCNC(=O)C1CC1 527a_100000755551_100000210395 [0,1,0,1,0,0|0,0,2]=4 12298 B10R1.186 C#CCNCC(=O)C1CC1 34a_100000212058_100000746382 [0,1,0,1,0,0|0,0,2]=4 12299 B10R1.186 C#CCOCC(=O)C1CC1 34a_100000210247_100000746382 [0,1,0,1,0,0|0,0,2]=4 12300 B10R1.186 C#CCOCC(=O)C1CC1 34a_100000686663_100000184674 [0,1,0,1,0,0|0,0,2]=4 12301 B10R1.186 C#CCSCC(=O)C1CC1 62a_100000038162_100000746382 [0,1,0,1,0,0|0,0,2]=4 12302 B10R1.186 C=CCCCC(=O)C1CC1 1458a_100000210395_100000757094 [0,1,0,1,0,0|0,0,1]=3 12303 B10R1.186 C=CCCCC(=O)C1CO1 1458a_100000701028_100000757094 [0,1,0,1,0,0|1,0,1]=4 12304 B10R1.186 C=CCCNC(=O)C1CC1 11a_100015191253_100000210395 [0,1,0,1,0,0|0,0,2]=4 12305 B10R1.186 C=CCCNC(=O)C1CC1 1626a_100015191253_100000210395 [0,1,0,1,0,0|0,0,2]=4 12306 B10R1.186 C=CCCNC(=O)C1CC1 240690a_100015191253_100000210395 [0,1,0,1,0,0|0,0,2]=4 12307 B10R1.186 C=CCCNC(=O)C1CC1 527a_100015191253_100000210395 [0,1,0,1,0,0|0,0,2]=4 12308 B10R1.186 C=CCNCC(=O)C1CC1 2230a_100020586998_100000746382 [0,1,0,1,0,0|0,0,2]=4 12309 B10R1.186 C=CCOCC(=O)C1CC1 34a_100000686663_100015514636 [0,1,0,1,0,0|0,0,2]=4 12310 B10R1.186 C=CCOCC(=O)C1CC1 34a_200000210373_100000746382 [0,1,0,1,0,0|0,0,2]=4 12311 B10R1.186 C=CCSCC(=O)C1CC1 62a_100000210623_100000746382 [0,1,0,1,0,0|0,0,2]=4 12312 B10R1.186 C=CCSCC(=O)C1CC1 62a_100000746382_100000210623 [0,1,0,1,0,0|0,0,2]=4 12313 B10R1.186 C=COCCC(=O)C1CC1 1458a_100000210395_100000039644 [0,1,0,1,0,0|0,0,2]=4 12314 B10R1.186 CC#CCNC(=O)C1CC1 11a_100000685387_100000210395 [0,1,0,1,0,0|0,0,2]=4 12315 B10R1.186 CC#CCNC(=O)C1CC1 1626a_100000685387_100000210395 [0,1,0,1,0,0|0,0,2]=4 12316 B10R1.186 CC#CCNC(=O)C1CC1 527a_100000685387_100000210395 [0,1,0,1,0,0|0,0,2]=4 12317 B10R1.186 CC/C=C\CC(=O)C1CC1 1458a_100000210395_100103147603 [0,1,0,1,0,0|0,0,1]=3 12318 B10R1.186 CC/C=C\CC(=O)C1CO1 1458a_100000701028_100103147603 [0,1,0,1,0,0|1,0,1]=4 12319 B10R1.186 CCC#CCC(=O)C1CC1 1458a_100000210395_100009813939 [0,1,0,1,0,0|0,0,1]=3 12320 B10R1.186 CCC#CCC(=O)C1CO1 1458a_100000701028_100009813939 [0,1,0,1,0,0|1,0,1]=4 12321 B10R1.186 CCC=NNC(=O)C1CC1 4a_100000183419_100000210100 [0,1,0,1,0,0|1,0,1]=4 12322 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,1,0,1,0,0|0,0,0]=2 12323 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,1,0,1,0,0|1,0,0]=3 12324 B10R1.186 CCCCCN(C)C1CC1 2230a_100000226674_100000210326 [0,1,0,1,0,0|2,0,0]=4 12325 B10R1.186 CCCCCN(C)C1CC1 269982a_100000223495_100000211595 [0,1,0,1,0,0|2,0,0]=4 12326 B10R1.186 CCCCCN(C)C1CC1 269982a_100000226674_100000210215 [0,1,0,1,0,0|2,0,0]=4 12327 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [0,1,0,1,0,0|0,0,0]=2 12328 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [0,1,0,1,0,0|0,0,0]=2 12329 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [0,1,0,1,0,0|0,0,0]=2 12330 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [0,1,0,1,0,0|0,0,0]=2 12331 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 12332 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 12333 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 12334 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 12335 B10R1.186 CCCCNC(C)C1CC1 2230a_100000700016_100000210211 [0,1,0,1,0,0|1,0,1]=4 12336 B10R1.186 CCCCNC(C)C1CC1 269862a_100000102301_100000210639 [0,1,0,1,0,0|1,0,1]=4 12337 B10R1.186 CCCCNC(C)C1CC1 34a_100000700016_100000210210 [0,1,0,1,0,0|1,0,1]=4 12338 B10R1.186 CCCCOC(C)C1CC1 34a_100000744524_100000210210 [0,1,0,1,0,0|1,0,1]=4 12339 B10R1.186 CCCCOC(C)C1CC1 7a_100000744524_100000210211 [0,1,0,1,0,0|1,0,1]=4 12340 B10R1.186 CCCNCC(O)C1CC1 2230a_100000751198_100000210303 [0,1,0,1,0,0|0,0,2]=4 12341 B10R1.186 CCCNCC(O)C1CC1 34a_100000751198_100000210303 [0,1,0,1,0,0|0,0,2]=4 12342 B10R1.186 CCCNN=C(C)C1CC1 4a_100000740057_100000210639 [0,1,0,1,0,0|2,0,0]=4 12343 B10R1.186 CCCNNC(=O)C1CC1 22a_100000740057_100000210395 [0,1,0,1,0,0|1,0,0]=3 12344 B10R1.186 CCCNNC(=O)C1CO1 22a_100000740057_100000701028 [0,1,0,1,0,0|2,0,0]=4 12345 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [0,1,0,1,0,0|0,0,0]=2 12346 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [0,1,0,1,0,0|0,0,0]=2 12347 B10R1.186 CCCOC[C@H](N)C1CC1 34a_100020623730_100000210303 [0,1,0,1,0,0|1,0,1]=4 12348 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [0,1,0,1,0,0|0,0,0]=2 12349 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [0,1,0,1,0,0|0,0,0]=2 12350 B10R1.186 CCNCOC(=O)C1CC1 2230a_100015525214_100000140896 [0,1,0,1,0,0|1,0,0]=3 12351 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [0,1,0,1,0,0|0,0,0]=2 12352 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [0,1,0,1,0,0|1,0,0]=3 12353 B10R1.186 CCOCCN(C)C1CC1 2230a_100000226674_100011215890 [0,1,0,1,0,0|2,0,0]=4 12354 B10R1.186 CCOCCN(C)C1CC1 269982a_100000226674_100011215890 [0,1,0,1,0,0|2,0,0]=4 12355 B10R1.186 CCOCOC(=O)C1CC1 34a_100121572206_100000140896 [0,1,0,1,0,0|1,0,0]=3 12356 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [0,1,0,1,0,0|0,0,0]=2 12357 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [0,1,0,1,0,0|1,0,0]=3 12358 B10R1.186 CCSCCN(C)C1CC1 2230a_100000226674_100000757381 [0,1,0,1,0,0|2,0,0]=4 12359 B10R1.186 CCSCCN(C)C1CC1 269982a_100000226674_100000757381 [0,1,0,1,0,0|2,0,0]=4 12360 B10R1.186 CCSCOC(=O)C1CC1 62a_100000140896_100000210202 [0,1,0,1,0,0|1,0,0]=3 12361 B10R1.186 CCSCOC(=O)C1CC1 62a_100000210202_100000140896 [0,1,0,1,0,0|1,0,0]=3 12362 B10R1.186 CN(CCCCF)C1CC1 2230a_100000226674_100000729493 [0,1,0,1,0,0|2,0,0]=4 12363 B10R1.186 CN(CCCCF)C1CC1 269982a_100000226674_100000729493 [0,1,0,1,0,0|2,0,0]=4 12364 B10R1.186 CN(CCCCO)C1CC1 2230a_100000226674_100000210776 [0,1,0,1,0,0|2,0,0]=4 12365 B10R1.186 CN(CCCCO)C1CC1 269982a_100000226674_100000210776 [0,1,0,1,0,0|2,0,0]=4 12366 B10R1.186 CN(CCCCO)C1CC1 269982a_100000717598_100000211595 [0,1,0,1,0,0|2,0,0]=4 12367 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [0,1,0,1,0,0|0,0,0]=2 12368 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [0,1,0,1,0,0|1,0,0]=3 12369 B10R1.186 COCCCN(C)C1CC1 2230a_100000226674_100000740836 [0,1,0,1,0,0|2,0,0]=4 12370 B10R1.186 COCCCN(C)C1CC1 269982a_100000224831_100000211595 [0,1,0,1,0,0|2,0,0]=4 12371 B10R1.186 COCCCN(C)C1CC1 269982a_100000226674_100000740836 [0,1,0,1,0,0|2,0,0]=4 12372 B10R1.186 COCCNC(=O)C1CC1 1626a_100000209980_100000210395 [0,1,0,1,0,0|1,0,0]=3 12373 B10R1.186 COCCNC(=O)C1CC1 240690a_100000209980_100000210395 [0,1,0,1,0,0|1,0,0]=3 12374 B10R1.186 COCCNC(=O)C1CC1 527a_100000209980_100000210395 [0,1,0,1,0,0|1,0,0]=3 12375 B10R1.186 COCCNC(=O)C1CO1 1626a_100000209980_100000701028 [0,1,0,1,0,0|2,0,0]=4 12376 B10R1.186 COCCNC(=O)C1CO1 240690a_100000209980_100000701028 [0,1,0,1,0,0|2,0,0]=4 12377 B10R1.186 COCCNC(=O)C1CO1 527a_100000209980_100000701028 [0,1,0,1,0,0|2,0,0]=4 12378 B10R1.186 COCSCC(=O)C1CC1 62a_100000746382_100000766300 [0,1,0,1,0,0|1,0,0]=3 12379 B10R1.186 COCSCC(=O)C1CC1 62a_100000766300_100000746382 [0,1,0,1,0,0|1,0,0]=3 12380 B10R1.186 CSCCNC(=O)C1CC1 11a_100020590264_100000210395 [0,1,0,1,0,0|1,0,0]=3 12381 B10R1.186 CSCCNC(=O)C1CC1 1626a_100020590264_100000210395 [0,1,0,1,0,0|1,0,0]=3 12382 B10R1.186 CSCCNC(=O)C1CC1 240690a_100020590264_100000210395 [0,1,0,1,0,0|1,0,0]=3 12383 B10R1.186 CSCCNC(=O)C1CC1 527a_100020590264_100000210395 [0,1,0,1,0,0|1,0,0]=3 12384 B10R1.186 CSCCNC(=O)C1CO1 11a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 12385 B10R1.186 CSCCNC(=O)C1CO1 1626a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 12386 B10R1.186 CSCCNC(=O)C1CO1 240690a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 12387 B10R1.186 CSCCNC(=O)C1CO1 527a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 12388 B10R1.186 CSCOCC(=O)C1CC1 34a_100000686663_100011218213 [0,1,0,1,0,0|1,0,0]=3 12389 B10R1.186 CSCSCC(=O)C1CC1 62a_100000746382_100011218213 [0,1,0,1,0,0|1,0,0]=3 12390 B10R1.186 CSCSCC(=O)C1CC1 62a_100011218213_100000746382 [0,1,0,1,0,0|1,0,0]=3 12391 B10R1.186 N#CCCCC(=O)C1CC1 1458a_100000210395_100000211468 [0,1,0,1,0,0|0,0,1]=3 12392 B10R1.186 N#CCCCC(=O)C1CO1 1458a_100000701028_100000211468 [0,1,0,1,0,0|1,0,1]=4 12393 B10R1.186 N#CCCNC(=O)C1CC1 11a_100000720768_100000210395 [0,1,0,1,0,0|1,0,1]=4 12394 B10R1.186 N#CCCNC(=O)C1CC1 1626a_100000720768_100000210395 [0,1,0,1,0,0|1,0,1]=4 12395 B10R1.186 N#CCCNC(=O)C1CC1 240690a_100000720768_100000210395 [0,1,0,1,0,0|1,0,1]=4 12396 B10R1.186 N#CCCNC(=O)C1CC1 527a_100000720768_100000210395 [0,1,0,1,0,0|1,0,1]=4 12397 B10R1.186 N#CCSCC(=O)C1CC1 62a_100000746382_100011215382 [0,1,0,1,0,0|1,0,1]=4 12398 B10R1.186 N#CCSCC(=O)C1CC1 62a_100011215382_100000746382 [0,1,0,1,0,0|1,0,1]=4 12399 B10R1.186 NCCOCC(=O)C1CC1 34a_100000210304_100000746382 [0,1,0,1,0,0|1,0,0]=3 12400 B10R1.186 O=C(CC#CCO)C1CC1 1458a_100000210395_200000047223 [0,1,0,1,0,0|0,0,2]=4 12401 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [0,1,0,1,0,0|0,0,0]=2 12402 B10R1.186 O=C(CCCCF)C1CO1 1458a_100000701028_100000729493 [0,1,0,1,0,0|1,0,0]=3 12403 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [0,1,0,1,0,0|0,0,0]=2 12404 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [0,1,0,1,0,0|1,0,0]=3 12405 B10R1.186 O=C(CNCCF)C1CC1 34a_100000724931_100000746382 [0,1,0,1,0,0|1,0,0]=3 12406 B10R1.186 O=C(CNCCO)C1CC1 2230a_100016997473_100000746382 [0,1,0,1,0,0|1,0,0]=3 12407 B10R1.186 O=C(CNCCO)C1CC1 34a_100016990907_100000746382 [0,1,0,1,0,0|1,0,0]=3 12408 B10R1.186 O=C(COCCBr)C1CC1 34a_100000211926_100000746382 [0,1,0,1,0,0|1,0,0]=3 12409 B10R1.186 O=C(COCCF)C1CC1 34a_100000686663_100011217306 [0,1,0,1,0,0|1,0,0]=3 12410 B10R1.186 O=C(COCCO)C1CC1 34a_100000686663_100000211926 [0,1,0,1,0,0|1,0,0]=3 12411 B10R1.186 O=C(CSCCF)C1CC1 62a_100000746382_100011217306 [0,1,0,1,0,0|1,0,0]=3 12412 B10R1.186 O=C(CSCCF)C1CC1 62a_100011217306_100000746382 [0,1,0,1,0,0|1,0,0]=3 12413 B10R1.186 O=C(CSCCO)C1CC1 62a_100000211926_100000746382 [0,1,0,1,0,0|1,0,0]=3 12414 B10R1.186 O=C(CSCCO)C1CC1 62a_100000746382_100000211926 [0,1,0,1,0,0|1,0,0]=3 12415 B10R1.186 O=C(NCCCF)C1CC1 11a_100015189416_100000210395 [0,1,0,1,0,0|1,0,0]=3 12416 B10R1.186 O=C(NCCCF)C1CC1 1626a_100015189416_100000210395 [0,1,0,1,0,0|1,0,0]=3 12417 B10R1.186 O=C(NCCCF)C1CC1 240690a_100015189416_100000210395 [0,1,0,1,0,0|1,0,0]=3 12418 B10R1.186 O=C(NCCCF)C1CC1 527a_100015189416_100000210395 [0,1,0,1,0,0|1,0,0]=3 12419 B10R1.186 O=C(NCCCF)C1CO1 11a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 12420 B10R1.186 O=C(NCCCF)C1CO1 1626a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 12421 B10R1.186 O=C(NCCCF)C1CO1 240690a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 12422 B10R1.186 O=C(NCCCF)C1CO1 527a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 12423 B10R1.186 O=C(NCCCO)C1CC1 240690a_100000182051_100000210395 [0,1,0,1,0,0|1,0,0]=3 12424 B10R1.186 O=C(NCCCO)C1CC1 527a_100000182051_100000210395 [0,1,0,1,0,0|1,0,0]=3 12425 B10R1.186 O=C(NCCCO)C1CO1 240690a_100000182051_100000701028 [0,1,0,1,0,0|2,0,0]=4 12426 B10R1.186 O=C(NCCCO)C1CO1 527a_100000182051_100000701028 [0,1,0,1,0,0|2,0,0]=4 12427 B10R1.186 O=C(NNCCO)C1CC1 22a_100000210001_100000210395 [0,1,0,1,0,0|2,0,0]=4 12428 B10R1.186 O=C(OCSCF)C1CC1 62a_100000140896_100015361967 [0,1,0,1,0,0|2,0,0]=4 12429 B10R1.186 O=C(OCSCF)C1CC1 62a_100015361967_100000140896 [0,1,0,1,0,0|2,0,0]=4 12430 B10R1.186 O=CCOCC(=O)C1CC1 34a_100000686663_200009817547 [0,1,0,1,0,0|1,0,1]=4 12431 B10R1.186 O=CCSCC(=O)C1CC1 62a_100000746382_200015260668 [0,1,0,1,0,0|1,0,1]=4 12432 B10R1.186 O=CCSCC(=O)C1CC1 62a_200015260668_100000746382 [0,1,0,1,0,0|1,0,1]=4 12433 B10R1.375 CCCOCC1CC1(C)C 34a_100000728257_100000210303 [0,1,0,1,0,0|1,0,1]=4 12434 B10R1.375 CCCOCC1CC1(C)C 7a_100000728257_100000210303 [0,1,0,1,0,0|1,0,1]=4 12435 B10R1.375 CCCOCC1OC1(C)C 34a_200010283642_100000210303 [0,1,0,1,0,0|0,0,2]=4 12436 B10R1.375 CCCOCC1OC1(C)C 7a_200010283642_100000210303 [0,1,0,1,0,0|0,0,2]=4 12437 B10R1.265 CCCNS(=O)(=O)C1CC1 270084a_100020643023_100000750908 [0,1,0,1,0,0|2,0,0]=4 12438 B10R1.265 CCCNS(=O)(=O)C1CC1 274078a_100020643023_100000750908 [0,1,0,1,0,0|2,0,0]=4 12439 B10R1.354 CC(C)S(=O)(=O)N1CCC1 270084a_100000754969_100000742656 [0,1,0,1,0,0|2,0,0]=4 12440 B10R1.354 CC(C)S(=O)(=O)N1CCC1 274078a_100000754969_100000742656 [0,1,0,1,0,0|2,0,0]=4 12441 B10R1.356 CC(C)S(=O)(=O)NC1CC1 270084a_100000212008_100000742656 [0,1,0,1,0,0|2,0,0]=4 12442 B10R1.356 CC(C)S(=O)(=O)NC1CC1 274078a_100000212008_100000742656 [0,1,0,1,0,0|2,0,0]=4 12443 B10R2.357 CC(C)N1CC2CC2C1 2230a_100000741873_100000210206 [0,0,0,2,0,0|2,0,0]=4 12444 B10R2.357 CC(C)N1CC2CC2C1 269982a_100000741873_100000210206 [0,0,0,2,0,0|2,0,0]=4 12445 B10R2.357 CC(C)N1CC2CC2C1 34a_100000741873_100000210206 [0,0,0,2,0,0|2,0,0]=4 12446 B10R2.14 C[C@@H]1CCN(C1)C2CC2 269982a_100016987628_100000211595 [0,0,0,2,0,0|2,0,0]=4 12447 B10R2.14 C[C@@H]1CCN(C1)C2CC2 34a_100016987628_100000211595 [0,0,0,2,0,0|2,0,0]=4 12448 B10R2.27 CC1CCN1CC2CC2 269982a_100000755817_100000756562 [0,0,0,2,0,0|2,0,0]=4 12449 B10R2.27 CC1CCN1CC2CC2 34a_100000755817_100000742324 [0,0,0,2,0,0|2,0,0]=4 12450 B10R2.324 CC1CCN1C2CCC2 269982a_100000755817_100000749161 [0,0,0,2,0,0|2,0,0]=4 12451 B10R2.324 CC1CCN1C2CCC2 34a_100000755817_100000749161 [0,0,0,2,0,0|2,0,0]=4 12452 B10R2.103 CCC1CN(C1)C2CC2 269982a_100015205115_100000211595 [0,0,0,2,0,0|2,0,0]=4 12453 B10R2.646 CC(C)N1CC2(C1)CC2 2230a_100015196877_100000210206 [0,0,0,2,0,0|2,0,0]=4 12454 B10R2.646 CC(C)N1CC2(C1)CC2 269982a_100015196877_100000210206 [0,0,0,2,0,0|2,0,0]=4 12455 B10R2.646 CC(C)N1CC2(C1)CC2 34a_100015196877_100000210206 [0,0,0,2,0,0|2,0,0]=4 12456 B10R2.406 CN(C1CCC1)C2CC2 2230a_100102679019_200000210301 [0,0,0,2,0,0|2,0,0]=4 12457 B10R2.406 CN(C1CCC1)C2CC2 269982a_100000226674_100000749161 [0,0,0,2,0,0|2,0,0]=4 12458 B10R2.406 CN(C1CCC1)C2CC2 269982a_100000758072_100000211595 [0,0,0,2,0,0|2,0,0]=4 12459 B10R2.406 CN(C1CCC1)C2CC2 270004a_100000226674_100000241760 [0,0,0,2,0,0|2,0,0]=4 12460 B10R2.406 CN(C1CCC1)C2CC2 34a_100000758072_100000211595 [0,0,0,2,0,0|2,0,0]=4 12461 B10R2.406 CN(C1CCC1)C2CC2 34a_100102679019_200000210301 [0,0,0,2,0,0|2,0,0]=4 12462 B10R2.406 O=C(C1CC1)C2COC2 1458a_100000210395_100000687716 [0,0,0,2,0,0|1,0,0]=3 12463 B10R2.406 O=C(C1CC1)N2CCC2 11a_100000754969_100000210395 [0,0,0,2,0,0|1,0,0]=3 12464 B10R2.406 O=C(C1CC1)N2CCC2 240690a_100000754969_100000210395 [0,0,0,2,0,0|1,0,0]=3 12465 B10R2.406 O=C(C1CC1)N2CCC2 527a_100000754969_100000210395 [0,0,0,2,0,0|1,0,0]=3 12466 B10R2.406 O=C(C1CCC1)C2CC2 1458a_100000210395_100000749161 [0,0,0,2,0,0|0,0,0]=2 12467 B10R2.406 O=C(C1CCC1)C2CO2 1458a_100000701028_100000749161 [0,0,0,2,0,0|1,0,0]=3 12468 B10R2.406 O=C(C1CO1)N2CCC2 11a_100000754969_100000701028 [0,0,0,2,0,0|2,0,0]=4 12469 B10R2.406 O=C(C1CO1)N2CCC2 240690a_100000754969_100000701028 [0,0,0,2,0,0|2,0,0]=4 12470 B10R2.406 O=C(C1CO1)N2CCC2 527a_100000754969_100000701028 [0,0,0,2,0,0|2,0,0]=4 12471 B10R2.406 O=C(C1COC1)C2CO2 1458a_100000701028_100000687716 [0,0,0,2,0,0|2,0,0]=4 12472 B10R2.406 [13CH3]N(C1CCC1)C2CC2 2230a_100102679019_200025704644 [0,0,0,2,0,0|2,0,0]=4 12473 B10R2.406 [13CH3]N(C1CCC1)C2CC2 34a_100102679019_200025704644 [0,0,0,2,0,0|2,0,0]=4 12474 B10R2.485 CN(CC1CC1)C2CC2 2230a_100000226674_100000742324 [0,0,0,2,0,0|2,0,0]=4 12475 B10R2.485 CN(CC1CC1)C2CC2 269982a_100000226674_100000756562 [0,0,0,2,0,0|2,0,0]=4 12476 B10R2.485 CN(CC1CC1)C2CC2 269982a_100000741881_100000211595 [0,0,0,2,0,0|2,0,0]=4 12477 B10R2.485 O=C(CC1CC1)C2CC2 1458a_100000210395_100000742324 [0,0,0,2,0,0|0,0,0]=2 12478 B10R2.485 O=C(CC1CC1)C2CO2 1458a_100000701028_100000742324 [0,0,0,2,0,0|1,0,0]=3 12479 B10R2.485 O=C(CC1CO1)C2CC2 1458a_100000210395_100011216344 [0,0,0,2,0,0|1,0,0]=3 12480 B10R2.485 O=C(CC1CO1)C2CO2 1458a_100000701028_100011216344 [0,0,0,2,0,0|2,0,0]=4 12481 B10R2.485 O=C(CC1CS1)C2CC2 1458a_100000210395_100000031435 [0,0,0,2,0,0|1,0,0]=3 12482 B10R2.485 O=C(CC1CS1)C2CO2 1458a_100000701028_100000031435 [0,0,0,2,0,0|2,0,0]=4 12483 B10R2.485 O=C(C[C@@H]1CO1)C2CC2 1458a_100000210395_100000745022 [0,0,0,2,0,0|1,0,0]=3 12484 B10R2.485 O=C(C[C@@H]1CO1)C2CO2 1458a_100000701028_100000745022 [0,0,0,2,0,0|2,0,0]=4 12485 B10R2.485 O=C(NC1CC1)C2CC2 1626a_100000212008_100000210395 [0,0,0,2,0,0|1,0,0]=3 12486 B10R2.485 O=C(NC1CC1)C2CC2 240690a_100000212008_100000210395 [0,0,0,2,0,0|1,0,0]=3 12487 B10R2.485 O=C(NC1CC1)C2CC2 527a_100000212008_100000210395 [0,0,0,2,0,0|1,0,0]=3 12488 B10R2.485 O=C(NC1CC1)C2CO2 1626a_100000212008_100000701028 [0,0,0,2,0,0|2,0,0]=4 12489 B10R2.485 O=C(NC1CC1)C2CO2 240690a_100000212008_100000701028 [0,0,0,2,0,0|2,0,0]=4 12490 B10R2.485 O=C(NC1CC1)C2CO2 527a_100000212008_100000701028 [0,0,0,2,0,0|2,0,0]=4 12491 B10R0.78 C#CCCC(=O)C=CC(C)C 1458a_100016268746_100000753159 [0,0,0,0,0,2|0,0,2]=4 12492 B10R0.78 C#CCCC(=O)CCC(C)C 1458a_100000181311_100000753159 [0,0,0,0,0,2|0,0,2]=4 12493 B10R0.78 C#CCCC(=O)CCC(C)C 1458a_100000692101_100000210312 [0,0,0,0,0,2|0,0,2]=4 12494 B10R0.78 C#CCCC(=O)COC(C)C 1458a_100000745533_100000753159 [0,0,0,0,0,2|0,0,2]=4 12495 B10R0.78 C#CCCC(=O)CSC(C)C 1458a_100000241585_100000753159 [0,0,0,0,0,2|0,0,2]=4 12496 B10R0.78 C#CCCC(=O)NCC(C)C 11a_100000210953_100000692101 [0,0,0,0,0,2|0,0,2]=4 12497 B10R0.78 C#CCCC(=O)NCC(C)C 1626a_100000210953_100000692101 [0,0,0,0,0,2|0,0,2]=4 12498 B10R0.78 C#CCCC(=O)NCC(C)C 240690a_100000210953_100000692101 [0,0,0,0,0,2|0,0,2]=4 12499 B10R0.78 C#CCCC(=O)NCC(C)C 527a_100000210953_100000692101 [0,0,0,0,0,2|0,0,2]=4 12500 B10R0.78 C#CCCC(=O)NNC(C)C 22a_100000741168_100000692101 [0,0,0,0,0,2|0,0,2]=4 12501 B10R0.78 C/C=C/CC(=O)C=CC(C)C 1458a_100016268746_100102629194 [0,0,0,0,0,2|0,0,2]=4 12502 B10R0.78 C/C=C/CC(=O)CCC(C)C 1458a_100000181311_100102629194 [0,0,0,0,0,2|0,0,2]=4 12503 B10R0.78 C/C=C/CC(=O)COC(C)C 1458a_100000745533_100102629194 [0,0,0,0,0,2|0,0,2]=4 12504 B10R0.78 C/C=C/CC(=O)CSC(C)C 1458a_100000241585_100102629194 [0,0,0,0,0,2|0,0,2]=4 12505 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,0,0,0,0,2|0,0,2]=4 12506 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,0,0,0,0,2|0,0,2]=4 12507 B10R0.78 C=C(C)CNC(=O)CCCC 11a_100000765925_100000210183 [0,0,0,0,0,2|0,0,2]=4 12508 B10R0.78 C=C(C)CNC(=O)CCCC 1626a_100000765925_100000210183 [0,0,0,0,0,2|0,0,2]=4 12509 B10R0.78 C=C(C)CNC(=O)CCCC 240690a_100000765925_100000210183 [0,0,0,0,0,2|0,0,2]=4 12510 B10R0.78 C=C(C)CNC(=O)CCCC 527a_100000765925_100000210183 [0,0,0,0,0,2|0,0,2]=4 12511 B10R0.78 C=CCCC(=O)C=CC(C)C 1458a_100016268746_100000754431 [0,0,0,0,0,2|0,0,2]=4 12512 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000181311_100000754431 [0,0,0,0,0,2|0,0,2]=4 12513 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000749702_100000210312 [0,0,0,0,0,2|0,0,2]=4 12514 B10R0.78 C=CCCC(=O)COC(C)C 1458a_100000745533_100000754431 [0,0,0,0,0,2|0,0,2]=4 12515 B10R0.78 C=CCCC(=O)CSC(C)C 1458a_100000241585_100000754431 [0,0,0,0,0,2|0,0,2]=4 12516 B10R0.78 C=CCCC(=O)NCC(C)C 11a_100000210953_100000749702 [0,0,0,0,0,2|0,0,2]=4 12517 B10R0.78 C=CCCC(=O)NCC(C)C 1626a_100000210953_100000749702 [0,0,0,0,0,2|0,0,2]=4 12518 B10R0.78 C=CCCC(=O)NCC(C)C 240690a_100000210953_100000749702 [0,0,0,0,0,2|0,0,2]=4 12519 B10R0.78 C=CCCC(=O)NCC(C)C 527a_100000210953_100000749702 [0,0,0,0,0,2|0,0,2]=4 12520 B10R0.78 C=CCCC(=O)NNC(C)C 22a_100000741168_100000749702 [0,0,0,0,0,2|0,0,2]=4 12521 B10R0.78 CC#CCC(=O)C=CC(C)C 1458a_100016268746_100000748600 [0,0,0,0,0,2|0,0,2]=4 12522 B10R0.78 CC#CCC(=O)CCC(C)C 1458a_100000181311_100000748600 [0,0,0,0,0,2|0,0,2]=4 12523 B10R0.78 CC#CCC(=O)COC(C)C 1458a_100000745533_100000748600 [0,0,0,0,0,2|0,0,2]=4 12524 B10R0.78 CC#CCC(=O)CSC(C)C 1458a_100000241585_100000748600 [0,0,0,0,0,2|0,0,2]=4 12525 B10R0.78 CC(=CCC(=O)CCCF)C 1458a_100011220947_100011934791 [0,0,0,0,0,2|1,0,1]=4 12526 B10R0.78 CC(=CCC(=O)CCCO)C 1458a_100011220947_100011215043 [0,0,0,0,0,2|1,0,1]=4 12527 B10R0.78 CC(=NNC(C)C)CCCO 4a_100000741168_100000759063 [0,0,0,0,0,2|2,0,0]=4 12528 B10R0.78 CC(C)C=CC(=O)CCC#N 1458a_100016268746_100011215226 [0,0,0,0,0,2|1,0,1]=4 12529 B10R0.78 CC(C)C=CC(=O)CCCF 1458a_100016268746_100011934791 [0,0,0,0,0,2|1,0,0]=3 12530 B10R0.78 CC(C)C=CC(=O)CCCO 1458a_100016268746_100011215043 [0,0,0,0,0,2|1,0,0]=3 12531 B10R0.78 CC(C)C=CC(=O)NCCF 11a_100000724931_100016268746 [0,0,0,0,0,2|2,0,0]=4 12532 B10R0.78 CC(C)C=CC(=O)NCCF 1626a_100000724931_100016268746 [0,0,0,0,0,2|2,0,0]=4 12533 B10R0.78 CC(C)C=CC(=O)NCCF 240690a_100000724931_100016268746 [0,0,0,0,0,2|2,0,0]=4 12534 B10R0.78 CC(C)C=CC(=O)NCCO 240690a_100000210304_100016268746 [0,0,0,0,0,2|2,0,0]=4 12535 B10R0.78 CC(C)CCC(=O)CCC#N 1458a_100000181311_100011215226 [0,0,0,0,0,2|1,0,1]=4 12536 B10R0.78 CC(C)CCC(=O)CCC#N 1458a_100011934036_100000210312 [0,0,0,0,0,2|1,0,1]=4 12537 B10R0.78 CC(C)CCC(=O)CCCF 1458a_100000181311_100011934791 [0,0,0,0,0,2|1,0,0]=3 12538 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [0,0,0,0,0,2|1,0,0]=3 12539 B10R0.78 CC(C)CCC(=O)NCCF 11a_100000724931_100000181311 [0,0,0,0,0,2|2,0,0]=4 12540 B10R0.78 CC(C)CCC(=O)NCCF 1626a_100000724931_100000181311 [0,0,0,0,0,2|2,0,0]=4 12541 B10R0.78 CC(C)CCC(=O)NCCF 240690a_100000724931_100000181311 [0,0,0,0,0,2|2,0,0]=4 12542 B10R0.78 CC(C)CCC(=O)NCCF 527a_100000724931_100000181311 [0,0,0,0,0,2|2,0,0]=4 12543 B10R0.78 CC(C)CCC(=O)NCCO 240690a_100000210304_100000181311 [0,0,0,0,0,2|2,0,0]=4 12544 B10R0.78 CC(C)CCC(=O)NCCO 527a_100000210304_100000181311 [0,0,0,0,0,2|2,0,0]=4 12545 B10R0.78 CC(C)CNC(=O)CCC#N 11a_100000210953_100011934036 [0,0,0,0,0,2|1,0,1]=4 12546 B10R0.78 CC(C)CNC(=O)CCC#N 1626a_100000210953_100011934036 [0,0,0,0,0,2|1,0,1]=4 12547 B10R0.78 CC(C)CNC(=O)CCC#N 240690a_100000210953_100011934036 [0,0,0,0,0,2|1,0,1]=4 12548 B10R0.78 CC(C)CNC(=O)CCC#N 527a_100000210953_100011934036 [0,0,0,0,0,2|1,0,1]=4 12549 B10R0.78 CC(C)CNC(=O)CSCF 62a_100000183291_100015361967 [0,0,0,0,0,2|2,0,0]=4 12550 B10R0.78 CC(C)CNC(=O)CSCF 62a_100015361967_100000183291 [0,0,0,0,0,2|2,0,0]=4 12551 B10R0.78 CC(C)CNC(=O)NCCF 2708a_100000210953_100000724931 [0,0,0,0,0,2|2,0,0]=4 12552 B10R0.78 CC(C)CNC(=O)NCCF 273464a_100000210953_100000724931 [0,0,0,0,0,2|2,0,0]=4 12553 B10R0.78 CC(C)CNC(=O)NCCF 273464a_100000724931_100000210953 [0,0,0,0,0,2|2,0,0]=4 12554 B10R0.78 CC(C)CNC(=O)NCCF 512a_100000210953_100000724931 [0,0,0,0,0,2|2,0,0]=4 12555 B10R0.78 CC(C)CNC(=O)NCCO 2708a_100000210953_100000210304 [0,0,0,0,0,2|2,0,0]=4 12556 B10R0.78 CC(C)CNC(=O)NCCO 273464a_100000210304_100000210953 [0,0,0,0,0,2|2,0,0]=4 12557 B10R0.78 CC(C)CNC(=O)NCCO 273464a_100000210953_100000210304 [0,0,0,0,0,2|2,0,0]=4 12558 B10R0.78 CC(C)CNC(=O)NCCO 512a_100000210953_100000210304 [0,0,0,0,0,2|2,0,0]=4 12559 B10R0.78 CC(C)NCC(=O)NCCF 2230a_100000725713_100000210206 [0,0,0,0,0,2|2,0,0]=4 12560 B10R0.78 CC(C)NNC(=O)CCC#N 22a_100000741168_100011934036 [0,0,0,0,0,2|1,0,1]=4 12561 B10R0.78 CC(C)NNC(=O)NCCF 273464a_100000724931_100000741168 [0,0,0,0,0,2|2,0,0]=4 12562 B10R0.78 CC(C)NNC(=O)NCCF 512a_100000741168_100000724931 [0,0,0,0,0,2|2,0,0]=4 12563 B10R0.78 CC(C)NNC(=O)NCCO 273464a_100000210304_100000741168 [0,0,0,0,0,2|2,0,0]=4 12564 B10R0.78 CC(C)NNC(=O)NCCO 512a_100000741168_100000210304 [0,0,0,0,0,2|2,0,0]=4 12565 B10R0.78 CC(C)OCC(=O)CCC#N 1458a_100000745533_100011215226 [0,0,0,0,0,2|1,0,1]=4 12566 B10R0.78 CC(C)OCC(=O)CCCF 1458a_100000745533_100011934791 [0,0,0,0,0,2|1,0,0]=3 12567 B10R0.78 CC(C)OCC(=O)CCCO 1458a_100000745533_100011215043 [0,0,0,0,0,2|1,0,0]=3 12568 B10R0.78 CC(C)OCC(=O)NCCF 11a_100000724931_100000745533 [0,0,0,0,0,2|2,0,0]=4 12569 B10R0.78 CC(C)OCC(=O)NCCF 1626a_100000724931_100000745533 [0,0,0,0,0,2|2,0,0]=4 12570 B10R0.78 CC(C)OCC(=O)NCCF 240690a_100000724931_100000745533 [0,0,0,0,0,2|2,0,0]=4 12571 B10R0.78 CC(C)OCC(=O)NCCF 527a_100000724931_100000745533 [0,0,0,0,0,2|2,0,0]=4 12572 B10R0.78 CC(C)OCC(=O)NCCO 240690a_100000210304_100000745533 [0,0,0,0,0,2|2,0,0]=4 12573 B10R0.78 CC(C)OCC(=O)NCCO 527a_100000210304_100000745533 [0,0,0,0,0,2|2,0,0]=4 12574 B10R0.78 CC(C)SCC(=O)CCC#N 1458a_100000241585_100011215226 [0,0,0,0,0,2|1,0,1]=4 12575 B10R0.78 CC(C)SCC(=O)CCCF 1458a_100000241585_100011934791 [0,0,0,0,0,2|1,0,0]=3 12576 B10R0.78 CC(C)SCC(=O)CCCO 1458a_100000241585_100011215043 [0,0,0,0,0,2|1,0,0]=3 12577 B10R0.78 CC(C)SCC(=O)NCCF 11a_100000724931_100000241585 [0,0,0,0,0,2|2,0,0]=4 12578 B10R0.78 CC(C)SCC(=O)NCCF 1626a_100000724931_100000241585 [0,0,0,0,0,2|2,0,0]=4 12579 B10R0.78 CC(C)SCC(=O)NCCF 240690a_100000724931_100000241585 [0,0,0,0,0,2|2,0,0]=4 12580 B10R0.78 CC(C)SCC(=O)NCCF 527a_100000724931_100000241585 [0,0,0,0,0,2|2,0,0]=4 12581 B10R0.78 CC(C)SCC(=O)NCCO 240690a_100000210304_100000241585 [0,0,0,0,0,2|2,0,0]=4 12582 B10R0.78 CC(C)SCC(=O)NCCO 527a_100000210304_100000241585 [0,0,0,0,0,2|2,0,0]=4 12583 B10R0.78 CC=CCC(=O)C=CC(C)C 1458a_100016268746_100000070051 [0,0,0,0,0,2|0,0,2]=4 12584 B10R0.78 CC=CCC(=O)CCC(C)C 1458a_100000181311_100000070051 [0,0,0,0,0,2|0,0,2]=4 12585 B10R0.78 CC=CCC(=O)CCC(C)C 1458a_100121576822_100000210312 [0,0,0,0,0,2|0,0,2]=4 12586 B10R0.78 CC=CCC(=O)COC(C)C 1458a_100000745533_100000070051 [0,0,0,0,0,2|0,0,2]=4 12587 B10R0.78 CC=CCC(=O)CSC(C)C 1458a_100000241585_100000070051 [0,0,0,0,0,2|0,0,2]=4 12588 B10R0.78 CC=CCC(=O)NCC(C)C 11a_100000210953_100121576822 [0,0,0,0,0,2|0,0,2]=4 12589 B10R0.78 CC=CCC(=O)NCC(C)C 1626a_100000210953_100121576822 [0,0,0,0,0,2|0,0,2]=4 12590 B10R0.78 CC=CCC(=O)NCC(C)C 240690a_100000210953_100121576822 [0,0,0,0,0,2|0,0,2]=4 12591 B10R0.78 CC=CCC(=O)NCC(C)C 527a_100000210953_100121576822 [0,0,0,0,0,2|0,0,2]=4 12592 B10R0.78 CC=CCC(=O)NNC(C)C 22a_100000741168_100121576822 [0,0,0,0,0,2|0,0,2]=4 12593 B10R0.78 CCC#CC(=O)CCC(C)C 1458a_100011827653_100000210312 [0,0,0,0,0,2|0,0,2]=4 12594 B10R0.78 CCC#CC(=O)NNC(C)C 22a_100000741168_100011827653 [0,0,0,0,0,2|0,0,2]=4 12595 B10R0.78 CCC=CC(=O)CCC(C)C 1458a_100000212282_100000210312 [0,0,0,0,0,2|0,0,2]=4 12596 B10R0.78 CCC=CC(=O)NCC(C)C 11a_100000210953_100000212282 [0,0,0,0,0,2|0,0,2]=4 12597 B10R0.78 CCC=CC(=O)NCC(C)C 1626a_100000210953_100000212282 [0,0,0,0,0,2|0,0,2]=4 12598 B10R0.78 CCC=CC(=O)NCC(C)C 240690a_100000210953_100000212282 [0,0,0,0,0,2|0,0,2]=4 12599 B10R0.78 CCC=CC(=O)NNC(C)C 22a_100000741168_100000212282 [0,0,0,0,0,2|0,0,2]=4 12600 B10R0.78 CCCCC(=NNC(C)C)C 4a_100000741168_100000210087 [0,0,0,0,0,2|1,0,0]=3 12601 B10R0.78 CCCCC(=O)C=CC(C)C 1458a_100016268746_100000210211 [0,0,0,0,0,2|0,0,0]=2 12602 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100000210183_100000761012 [0,0,0,0,0,2|0,0,1]=3 12603 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100011220947_100000210211 [0,0,0,0,0,2|0,0,1]=3 12604 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [0,0,0,0,0,2|0,0,0]=2 12605 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [0,0,0,0,0,2|0,0,0]=2 12606 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,0,0,0,0,2|1,0,0]=3 12607 B10R0.78 CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210211 [0,0,0,0,0,2|1,0,0]=3 12608 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,0,0,0,0,2|1,0,1]=4 12609 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,0,0,0,0,2|1,0,1]=4 12610 B10R0.78 CCCCC(=O)COC(C)C 1458a_100000745533_100000210211 [0,0,0,0,0,2|0,0,0]=2 12611 B10R0.78 CCCCC(=O)COC(F)F 1458a_200000719455_100000210211 [0,0,0,0,0,2|2,0,0]=4 12612 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,0,0,0,0,2|1,0,1]=4 12613 B10R0.78 CCCCC(=O)CSC(C)C 1458a_100000241585_100000210211 [0,0,0,0,0,2|0,0,0]=2 12614 B10R0.78 CCCCC(=O)CSC(F)F 1458a_114828291038_100000210211 [0,0,0,0,0,2|2,0,0]=4 12615 B10R0.78 CCCCC(=O)NCC(C)C 11a_100000210953_100000210183 [0,0,0,0,0,2|0,0,0]=2 12616 B10R0.78 CCCCC(=O)NCC(C)C 1626a_100000210953_100000210183 [0,0,0,0,0,2|0,0,0]=2 12617 B10R0.78 CCCCC(=O)NCC(C)C 240690a_100000210953_100000210183 [0,0,0,0,0,2|0,0,0]=2 12618 B10R0.78 CCCCC(=O)NCC(C)C 527a_100000210953_100000210183 [0,0,0,0,0,2|0,0,0]=2 12619 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [0,0,0,0,0,2|1,0,0]=3 12620 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [0,0,0,0,0,2|1,0,0]=3 12621 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [0,0,0,0,0,2|1,0,0]=3 12622 B10R0.78 CCCCC(=O)NCC(F)F 11a_100000765723_100000210183 [0,0,0,0,0,2|2,0,0]=4 12623 B10R0.78 CCCCC(=O)NCC(F)F 1626a_100000765723_100000210183 [0,0,0,0,0,2|2,0,0]=4 12624 B10R0.78 CCCCC(=O)NCC(F)F 240690a_100000765723_100000210183 [0,0,0,0,0,2|2,0,0]=4 12625 B10R0.78 CCCCC(=O)NCC(F)F 527a_100000765723_100000210183 [0,0,0,0,0,2|2,0,0]=4 12626 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189765_100000210183 [0,0,0,0,0,2|1,0,1]=4 12627 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189769_100000070787 [0,0,0,0,0,2|1,0,1]=4 12628 B10R0.78 CCCCC(=O)NNC(C)C 22a_100000741168_100000210183 [0,0,0,0,0,2|0,0,0]=2 12629 B10R0.78 CCCCC(C)COC(C)C 34a_100011995851_100000210206 [0,0,0,0,0,2|1,0,1]=4 12630 B10R0.78 CCCCC(C)COC(C)C 7a_100011995851_100000210206 [0,0,0,0,0,2|1,0,1]=4 12631 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000126638_100000210760 [0,0,0,0,0,2|1,0,1]=4 12632 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000210953_200011215066 [0,0,0,0,0,2|1,0,1]=4 12633 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000126638_100000210432 [0,0,0,0,0,2|1,0,1]=4 12634 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000210953_100000210087 [0,0,0,0,0,2|1,0,1]=4 12635 B10R0.78 CCCCC(C)NCC(C)C 34a_100000210953_200011215066 [0,0,0,0,0,2|1,0,1]=4 12636 B10R0.78 CCCCC(C)OCC(C)C 34a_100000210257_200011215066 [0,0,0,0,0,2|1,0,1]=4 12637 B10R0.78 CCCCC(C)OCC(C)C 34a_100000687866_100000210624 [0,0,0,0,0,2|1,0,1]=4 12638 B10R0.78 CCCCC(C)OCC(C)C 7a_100000687866_100000210760 [0,0,0,0,0,2|1,0,1]=4 12639 B10R0.78 CCCCC(C)SCC(C)C 62a_100000210624_200011215066 [0,0,0,0,0,2|1,0,1]=4 12640 B10R0.78 CCCCC(C)SCC(C)C 62a_200011215066_100000210760 [0,0,0,0,0,2|1,0,1]=4 12641 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000207549_100000210312 [0,0,0,0,0,2|2,0,0]=4 12642 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000742789_100000210211 [0,0,0,0,0,2|2,0,0]=4 12643 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000207549_100000210312 [0,0,0,0,0,2|2,0,0]=4 12644 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000742789_100000210211 [0,0,0,0,0,2|2,0,0]=4 12645 B10R0.78 CCCCN(C)COC(C)C 2230a_100000207549_100000709892 [0,0,0,0,0,2|2,0,0]=4 12646 B10R0.78 CCCCN(C)COC(C)C 269982a_100000207549_100000709892 [0,0,0,0,0,2|2,0,0]=4 12647 B10R0.78 CCCC[C@H](N)COC(C)C 34a_100011934283_100000210206 [0,0,0,0,0,2|1,0,1]=4 12648 B10R0.78 CCCNC(=O)C=CC(C)C 11a_100020643023_100016268746 [0,0,0,0,0,2|1,0,0]=3 12649 B10R0.78 CCCNC(=O)C=CC(C)C 1626a_100020643023_100016268746 [0,0,0,0,0,2|1,0,0]=3 12650 B10R0.78 CCCNC(=O)C=CC(C)C 240690a_100020643023_100016268746 [0,0,0,0,0,2|1,0,0]=3 12651 B10R0.78 CCCNC(=O)CC=C(C)C 11a_100020643023_100011220947 [0,0,0,0,0,2|1,0,1]=4 12652 B10R0.78 CCCNC(=O)CC=C(C)C 1626a_100020643023_100011220947 [0,0,0,0,0,2|1,0,1]=4 12653 B10R0.78 CCCNC(=O)CC=C(C)C 240690a_100020643023_100011220947 [0,0,0,0,0,2|1,0,1]=4 12654 B10R0.78 CCCNC(=O)CC=C(C)C 527a_100020643023_100011220947 [0,0,0,0,0,2|1,0,1]=4 12655 B10R0.78 CCCNC(=O)CCC(C)C 11a_100020643023_100000181311 [0,0,0,0,0,2|1,0,0]=3 12656 B10R0.78 CCCNC(=O)CCC(C)C 1626a_100020643023_100000181311 [0,0,0,0,0,2|1,0,0]=3 12657 B10R0.78 CCCNC(=O)CCC(C)C 240690a_100020643023_100000181311 [0,0,0,0,0,2|1,0,0]=3 12658 B10R0.78 CCCNC(=O)CCC(C)C 527a_100020643023_100000181311 [0,0,0,0,0,2|1,0,0]=3 12659 B10R0.78 CCCNC(=O)CCC(C)O 1626a_100020643023_100000718519 [0,0,0,0,0,2|2,0,0]=4 12660 B10R0.78 CCCNC(=O)CCN(C)C 11a_100020643023_100000689311 [0,0,0,0,0,2|2,0,0]=4 12661 B10R0.78 CCCNC(=O)CCN(C)C 240690a_100020643023_100000689311 [0,0,0,0,0,2|2,0,0]=4 12662 B10R0.78 CCCNC(=O)CCN(C)C 527a_100020643023_100000689311 [0,0,0,0,0,2|2,0,0]=4 12663 B10R0.78 CCCNC(=O)CC[S+](C)C 11a_100020643023_100009452791 [0,0,0,0,0,2|2,0,0]=4 12664 B10R0.78 CCCNC(=O)CC[S+](C)C 1626a_100020643023_100009452791 [0,0,0,0,0,2|2,0,0]=4 12665 B10R0.78 CCCNC(=O)CC[S+](C)C 240690a_100020643023_100009452791 [0,0,0,0,0,2|2,0,0]=4 12666 B10R0.78 CCCNC(=O)CNC(C)C 2230a_100000174927_100000210206 [0,0,0,0,0,2|1,0,0]=3 12667 B10R0.78 CCCNC(=O)CNC(C)C 2230a_100138425928_100000183358 [0,0,0,0,0,2|1,0,0]=3 12668 B10R0.78 CCCNC(=O)CNC(C)C 34a_100138425928_100000183358 [0,0,0,0,0,2|1,0,0]=3 12669 B10R0.78 CCCNC(=O)COC(C)C 11a_100020643023_100000745533 [0,0,0,0,0,2|1,0,0]=3 12670 B10R0.78 CCCNC(=O)COC(C)C 1626a_100020643023_100000745533 [0,0,0,0,0,2|1,0,0]=3 12671 B10R0.78 CCCNC(=O)COC(C)C 240690a_100020643023_100000745533 [0,0,0,0,0,2|1,0,0]=3 12672 B10R0.78 CCCNC(=O)COC(C)C 34a_100000212225_100000183358 [0,0,0,0,0,2|1,0,0]=3 12673 B10R0.78 CCCNC(=O)COC(C)C 527a_100020643023_100000745533 [0,0,0,0,0,2|1,0,0]=3 12674 B10R0.78 CCCNC(=O)CSC(C)C 11a_100020643023_100000241585 [0,0,0,0,0,2|1,0,0]=3 12675 B10R0.78 CCCNC(=O)CSC(C)C 1626a_100020643023_100000241585 [0,0,0,0,0,2|1,0,0]=3 12676 B10R0.78 CCCNC(=O)CSC(C)C 240690a_100020643023_100000241585 [0,0,0,0,0,2|1,0,0]=3 12677 B10R0.78 CCCNC(=O)CSC(C)C 527a_100020643023_100000241585 [0,0,0,0,0,2|1,0,0]=3 12678 B10R0.78 CCCNC(=O)CSC(C)C 62a_100000183358_100000210206 [0,0,0,0,0,2|1,0,0]=3 12679 B10R0.78 CCCNC(=O)CSC(C)C 62a_100000210206_100000183358 [0,0,0,0,0,2|1,0,0]=3 12680 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100000210953_100020643023 [0,0,0,0,0,2|1,0,0]=3 12681 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100020643023_100000210953 [0,0,0,0,0,2|1,0,0]=3 12682 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100000210953_100020643023 [0,0,0,0,0,2|1,0,0]=3 12683 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100020643023_100000210953 [0,0,0,0,0,2|1,0,0]=3 12684 B10R0.78 CCCNC(=O)NCC(C)C 512a_100000210953_100020643023 [0,0,0,0,0,2|1,0,0]=3 12685 B10R0.78 CCCNC(=O)NCC(C)C 512a_100020643023_100000210953 [0,0,0,0,0,2|1,0,0]=3 12686 B10R0.78 CCCNC(=O)NCC(C)O 2708a_100020643023_100000210904 [0,0,0,0,0,2|2,0,0]=4 12687 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100000210904_100020643023 [0,0,0,0,0,2|2,0,0]=4 12688 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100020643023_100000210904 [0,0,0,0,0,2|2,0,0]=4 12689 B10R0.78 CCCNC(=O)NCC(C)O 512a_100000210904_100020643023 [0,0,0,0,0,2|2,0,0]=4 12690 B10R0.78 CCCNC(=O)NCC(C)O 512a_100020643023_100000210904 [0,0,0,0,0,2|2,0,0]=4 12691 B10R0.78 CCCNC(=O)NNC(C)C 273464a_100020643023_100000741168 [0,0,0,0,0,2|1,0,0]=3 12692 B10R0.78 CCCNC(=O)NNC(C)C 512a_100000741168_100020643023 [0,0,0,0,0,2|1,0,0]=3 12693 B10R0.78 CCCNC(=O)NNC(C)C 512a_100020643023_100000741168 [0,0,0,0,0,2|1,0,0]=3 12694 B10R0.78 CCCOC(=O)CNC(C)C 2230a_100138425928_200011215008 [0,0,0,0,0,2|1,0,0]=3 12695 B10R0.78 CCCOC(=O)CNC(C)C 34a_100138425928_200011215008 [0,0,0,0,0,2|1,0,0]=3 12696 B10R0.78 CCCOC(=O)COC(C)C 34a_100000212225_200011215008 [0,0,0,0,0,2|1,0,0]=3 12697 B10R0.78 CCCOC(=O)CSC(C)C 62a_100000210206_200011215008 [0,0,0,0,0,2|1,0,0]=3 12698 B10R0.78 CCCOC(=O)CSC(C)C 62a_200011215008_100000210206 [0,0,0,0,0,2|1,0,0]=3 12699 B10R0.78 CCCOC(=O)OCN(C)C 269982a_100102631434_200000139673 [0,0,0,0,0,2|2,0,0]=4 12700 B10R0.78 CCNCC(=O)NCC(C)C 2230a_100015525214_100000183291 [0,0,0,0,0,2|1,0,0]=3 12701 B10R0.78 CCNNC(=O)C=CC(C)C 22a_100000756455_100016268746 [0,0,0,0,0,2|2,0,0]=4 12702 B10R0.78 CCNNC(=O)CCC(C)C 22a_100000756455_100000181311 [0,0,0,0,0,2|2,0,0]=4 12703 B10R0.78 CCNNC(=O)COC(C)C 22a_100000756455_100000745533 [0,0,0,0,0,2|2,0,0]=4 12704 B10R0.78 CCNNC(=O)CSC(C)C 22a_100000756455_100000241585 [0,0,0,0,0,2|2,0,0]=4 12705 B10R0.78 CCNNC(=O)NCC(C)C 273464a_100000210953_100000756455 [0,0,0,0,0,2|2,0,0]=4 12706 B10R0.78 CCNNC(=O)NCC(C)C 512a_100000210953_100000756455 [0,0,0,0,0,2|2,0,0]=4 12707 B10R0.78 CCNNC(=O)NCC(C)C 512a_100000756455_100000210953 [0,0,0,0,0,2|2,0,0]=4 12708 B10R0.78 CCNNC(=O)NNC(C)C 512a_100000741168_100000756455 [0,0,0,0,0,2|2,0,0]=4 12709 B10R0.78 CCNNC(=O)NNC(C)C 512a_100000756455_100000741168 [0,0,0,0,0,2|2,0,0]=4 12710 B10R0.78 CCOCC(=O)CC=C(C)C 1458a_100000211967_100000761012 [0,0,0,0,0,2|1,0,1]=4 12711 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [0,0,0,0,0,2|1,0,0]=3 12712 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [0,0,0,0,0,2|2,0,0]=4 12713 B10R0.78 CCOCC(=O)NCC(C)C 11a_100000210953_100000211967 [0,0,0,0,0,2|1,0,0]=3 12714 B10R0.78 CCOCC(=O)NCC(C)C 1626a_100000210953_100000211967 [0,0,0,0,0,2|1,0,0]=3 12715 B10R0.78 CCOCC(=O)NCC(C)C 240690a_100000210953_100000211967 [0,0,0,0,0,2|1,0,0]=3 12716 B10R0.78 CCOCC(=O)NCC(C)C 34a_100121572206_100000183291 [0,0,0,0,0,2|1,0,0]=3 12717 B10R0.78 CCOCC(=O)NCC(C)C 527a_100000210953_100000211967 [0,0,0,0,0,2|1,0,0]=3 12718 B10R0.78 CCOCC(=O)NCC(C)O 11a_100000210904_100000211967 [0,0,0,0,0,2|2,0,0]=4 12719 B10R0.78 CCOCC(=O)NCC(C)O 240690a_100000210904_100000211967 [0,0,0,0,0,2|2,0,0]=4 12720 B10R0.78 CCOCC(=O)NCC(C)O 527a_100000210904_100000211967 [0,0,0,0,0,2|2,0,0]=4 12721 B10R0.78 CCOCC(=O)NNC(C)C 22a_100000741168_100000211967 [0,0,0,0,0,2|1,0,0]=3 12722 B10R0.78 CCSCC(=NNC(C)C)C 4a_100000741168_200011216171 [0,0,0,0,0,2|2,0,0]=4 12723 B10R0.78 CCSCC(=O)CC=C(C)C 1458a_100000230394_100000761012 [0,0,0,0,0,2|1,0,1]=4 12724 B10R0.78 CCSCC(=O)CCC(C)C 1458a_100000230394_100000210312 [0,0,0,0,0,2|1,0,0]=3 12725 B10R0.78 CCSCC(=O)CCC(C)O 1458a_100000230394_100012276601 [0,0,0,0,0,2|2,0,0]=4 12726 B10R0.78 CCSCC(=O)NCC(C)C 11a_100000210953_100000230394 [0,0,0,0,0,2|1,0,0]=3 12727 B10R0.78 CCSCC(=O)NCC(C)C 1626a_100000210953_100000230394 [0,0,0,0,0,2|1,0,0]=3 12728 B10R0.78 CCSCC(=O)NCC(C)C 240690a_100000210953_100000230394 [0,0,0,0,0,2|1,0,0]=3 12729 B10R0.78 CCSCC(=O)NCC(C)C 527a_100000210953_100000230394 [0,0,0,0,0,2|1,0,0]=3 12730 B10R0.78 CCSCC(=O)NCC(C)C 62a_100000183291_100000210202 [0,0,0,0,0,2|1,0,0]=3 12731 B10R0.78 CCSCC(=O)NCC(C)C 62a_100000210202_100000183291 [0,0,0,0,0,2|1,0,0]=3 12732 B10R0.78 CCSCC(=O)NCC(C)O 11a_100000210904_100000230394 [0,0,0,0,0,2|2,0,0]=4 12733 B10R0.78 CCSCC(=O)NCC(C)O 240690a_100000210904_100000230394 [0,0,0,0,0,2|2,0,0]=4 12734 B10R0.78 CCSCC(=O)NCC(C)O 527a_100000210904_100000230394 [0,0,0,0,0,2|2,0,0]=4 12735 B10R0.78 CCSCC(=O)NNC(C)C 22a_100000741168_100000230394 [0,0,0,0,0,2|1,0,0]=3 12736 B10R0.78 COCCC(=NNC(C)C)C 4a_100000741168_100000742357 [0,0,0,0,0,2|2,0,0]=4 12737 B10R0.78 COCCC(=O)C=CC(C)C 1458a_100016268746_100000233755 [0,0,0,0,0,2|1,0,0]=3 12738 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100000749529_100000761012 [0,0,0,0,0,2|1,0,1]=4 12739 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100011220947_100000233755 [0,0,0,0,0,2|1,0,1]=4 12740 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000181311_100000233755 [0,0,0,0,0,2|1,0,0]=3 12741 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000749529_100000210312 [0,0,0,0,0,2|1,0,0]=3 12742 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [0,0,0,0,0,2|2,0,0]=4 12743 B10R0.78 COCCC(=O)CC[S+](C)C 1458a_100009452791_100000233755 [0,0,0,0,0,2|2,0,0]=4 12744 B10R0.78 COCCC(=O)COC(C)C 1458a_100000745533_100000233755 [0,0,0,0,0,2|1,0,0]=3 12745 B10R0.78 COCCC(=O)CSC(C)C 1458a_100000241585_100000233755 [0,0,0,0,0,2|1,0,0]=3 12746 B10R0.78 COCCC(=O)NCC(C)C 11a_100000210953_100000749529 [0,0,0,0,0,2|1,0,0]=3 12747 B10R0.78 COCCC(=O)NCC(C)C 1626a_100000210953_100000749529 [0,0,0,0,0,2|1,0,0]=3 12748 B10R0.78 COCCC(=O)NCC(C)C 240690a_100000210953_100000749529 [0,0,0,0,0,2|1,0,0]=3 12749 B10R0.78 COCCC(=O)NCC(C)C 527a_100000210953_100000749529 [0,0,0,0,0,2|1,0,0]=3 12750 B10R0.78 COCCC(=O)NCC(C)O 11a_100000210904_100000749529 [0,0,0,0,0,2|2,0,0]=4 12751 B10R0.78 COCCC(=O)NCC(C)O 240690a_100000210904_100000749529 [0,0,0,0,0,2|2,0,0]=4 12752 B10R0.78 COCCC(=O)NCC(C)O 527a_100000210904_100000749529 [0,0,0,0,0,2|2,0,0]=4 12753 B10R0.78 COCCC(=O)NNC(C)C 22a_100000741168_100000749529 [0,0,0,0,0,2|1,0,0]=3 12754 B10R0.78 CSCCC(=NNC(C)C)C 4a_100000741168_100011217047 [0,0,0,0,0,2|2,0,0]=4 12755 B10R0.78 CSCCC(=O)C=CC(C)C 1458a_100016268746_100000751147 [0,0,0,0,0,2|1,0,0]=3 12756 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100000174002_100000761012 [0,0,0,0,0,2|1,0,1]=4 12757 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100011220947_100000751147 [0,0,0,0,0,2|1,0,1]=4 12758 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000174002_100000210312 [0,0,0,0,0,2|1,0,0]=3 12759 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000181311_100000751147 [0,0,0,0,0,2|1,0,0]=3 12760 B10R0.78 CSCCC(=O)CCC(C)O 1458a_100000174002_100012276601 [0,0,0,0,0,2|2,0,0]=4 12761 B10R0.78 CSCCC(=O)CC[S+](C)C 1458a_100009452791_100000751147 [0,0,0,0,0,2|2,0,0]=4 12762 B10R0.78 CSCCC(=O)COC(C)C 1458a_100000745533_100000751147 [0,0,0,0,0,2|1,0,0]=3 12763 B10R0.78 CSCCC(=O)CSC(C)C 1458a_100000241585_100000751147 [0,0,0,0,0,2|1,0,0]=3 12764 B10R0.78 CSCCC(=O)NCC(C)C 11a_100000210953_100000174002 [0,0,0,0,0,2|1,0,0]=3 12765 B10R0.78 CSCCC(=O)NCC(C)C 1626a_100000210953_100000174002 [0,0,0,0,0,2|1,0,0]=3 12766 B10R0.78 CSCCC(=O)NCC(C)C 240690a_100000210953_100000174002 [0,0,0,0,0,2|1,0,0]=3 12767 B10R0.78 CSCCC(=O)NCC(C)C 527a_100000210953_100000174002 [0,0,0,0,0,2|1,0,0]=3 12768 B10R0.78 CSCCC(=O)NCC(C)O 11a_100000210904_100000174002 [0,0,0,0,0,2|2,0,0]=4 12769 B10R0.78 CSCCC(=O)NCC(C)O 240690a_100000210904_100000174002 [0,0,0,0,0,2|2,0,0]=4 12770 B10R0.78 CSCCC(=O)NCC(C)O 527a_100000210904_100000174002 [0,0,0,0,0,2|2,0,0]=4 12771 B10R0.78 CSCCC(=O)NNC(C)C 22a_100000741168_100000174002 [0,0,0,0,0,2|1,0,0]=3 12772 B10R0.78 C[S+](C)CCC(=O)CCCF 1458a_100009452791_100011934791 [0,0,0,0,0,2|2,0,0]=4 12773 B10R0.78 C[S+](C)CCC(=O)CCCO 1458a_100009452791_100011215043 [0,0,0,0,0,2|2,0,0]=4