0 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,1,0,0,0,0|2,0,1]=4 22 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,1,0,0,0,0|2,0,1]=4 23 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,0,0,0|2,0,1]=4 29 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.11 CNC(=O)C1=CCOC1 11a_106832991635_100000139269 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.11 CNC(=O)C1=CCOC1 1626a_100102657272_100000139269 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.11 CNC(=O)C1=CCOC1 240690a_100102657272_100000139269 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.11 CNC(=O)C1=COCC1 1626a_100102657272_100000750620 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.11 CNC(=O)C1=COCC1 240690a_100102657272_100000750620 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,1,0,0,0,0|2,0,1]=4 44 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,1,0,0,0,0|2,0,1]=4 46 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.11 O=C(CF)C1=CCOC1 1458a_100000139269_100015361967 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.11 O=C(CF)C1=COCC1 1458a_100000750620_100015361967 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,0,0,0|1,0,1]=3 62 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,1,0,0,0,0|1,0,2]=4 86 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,1,0,0,0,0|1,0,2]=4 88 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,1,0,0,0,0|0,0,2]=3 89 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,1,0,0,0,0|1,0,2]=4 90 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,1,0,0,0,0|1,0,2]=4 91 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,1,0,0,0,0|1,0,2]=4 92 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,1,0,0,0,0|1,0,2]=4 93 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,1,0,0,0,0|0,0,2]=3 94 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,1,0,0,0,0|1,0,2]=4 95 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,1,0,0,0,0|1,0,2]=4 96 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,1,0,0,0,0|2,0,1]=4 99 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,1,0,0,0,0|2,0,1]=4 100 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [0,0,1,0,0,0|3,0,0]=4 103 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,0,1,0,0,0|2,0,1]=4 104 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,0,1,0,0,0|2,0,1]=4 105 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,0,1,0,0,0|2,0,1]=4 106 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,0,1,0,0,0|3,0,0]=4 107 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,0,1,0,0,0|3,0,0]=4 108 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,0,1,0,0,0|3,0,0]=4 109 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,0,1,0,0,0|3,0,0]=4 110 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,0,1,0,0,0|3,0,0]=4 111 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,0,1,0,0,0|3,0,0]=4 112 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,0,1,0,0,0|2,0,1]=4 113 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,0,1,0,0,0|2,0,1]=4 114 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,0,1,0,0,0|2,0,1]=4 115 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,0,1,0,0,0|2,0,0]=3 116 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,0,1,0,0,0|2,0,0]=3 117 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,0,1,0,0,0|2,0,1]=4 118 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,0,1,0,0,0|2,0,1]=4 119 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,0,1,0,0,0|2,0,1]=4 120 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,0,1,0,0,0|3,0,0]=4 121 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,0,1,0,0,0|3,0,0]=4 122 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,0,1,0,0,0|3,0,0]=4 123 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,0,1,0,0,0|3,0,0]=4 124 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,0,1,0,0,0|1,0,2]=4 125 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,0,1,0,0,0|0,0,2]=3 126 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,0,1,0,0,0|2,0,1]=4 127 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,0,1,0,0,0|2,0,1]=4 128 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,0,1,0,0,0|2,0,1]=4 129 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,0,1,0,0,0|2,0,1]=4 130 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,0,1,0,0,0|2,0,1]=4 131 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,0,1,0,0,0|1,0,2]=4 132 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,0,1,0,0,0|2,0,1]=4 133 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,0,1,0,0,0|2,0,1]=4 134 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,0,1,0,0,0|2,0,1]=4 135 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,0,1,0,0,0|2,0,1]=4 136 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,0,1,0,0,0|1,0,2]=4 137 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,0,1,0,0,0|1,0,2]=4 138 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,0,1,0,0,0|2,0,1]=4 139 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,0,1,0,0,0|3,0,0]=4 140 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,0,1,0,0,0|3,0,0]=4 141 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,0,1,0,0,0|3,0,0]=4 142 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,0,1,0,0,0|3,0,0]=4 143 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,0,1,0,0,0|1,0,2]=4 144 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,0,1,0,0,0|1,0,2]=4 145 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,0,1,0,0,0|1,0,2]=4 146 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,0,1,0,0,0|1,0,2]=4 147 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,0,1,0,0,0|2,0,1]=4 148 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,0,1,0,0,0|3,0,0]=4 149 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,0,1,0,0,0|3,0,0]=4 150 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,0,1,0,0,0|3,0,0]=4 151 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,0,1,0,0,0|2,0,1]=4 152 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,0,1,0,0,0|2,0,0]=3 153 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,0,1,0,0,0|2,0,0]=3 154 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,0,1,0,0,0|1,0,2]=4 155 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,0,1,0,0,0|2,0,1]=4 156 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,0,1,0,0,0|2,0,1]=4 157 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,0,1,0,0,0|2,0,1]=4 158 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,0,1,0,0,0|2,0,1]=4 159 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,0,1,0,0,0|2,0,1]=4 160 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,0,1,0,0,0|3,0,0]=4 161 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,0,1,0,0,0|3,0,0]=4 162 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,0,1,0,0,0|3,0,0]=4 163 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,0,1,0,0,0|3,0,0]=4 164 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,0,1,0,0,0|2,0,1]=4 165 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,0,1,0,0,0|2,0,1]=4 166 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,0,1,0,0,0|2,0,1]=4 167 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,0,1,0,0,0|2,0,1]=4 168 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,0,1,0,0,0|2,0,1]=4 169 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,0,1,0,0,0|1,0,2]=4 170 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,0,1,0,0,0|1,0,2]=4 171 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,0,1,0,0,0|0,0,2]=3 172 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,0,1,0,0,0|1,0,2]=4 173 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,0,1,0,0,0|1,0,2]=4 174 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,0,1,0,0,0|2,0,1]=4 175 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,0,1,0,0,0|2,0,1]=4 176 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,0,1,0,0,0|2,0,1]=4 177 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,0,1,0,0,0|2,0,1]=4 178 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,0,1,0,0,0|1,0,2]=4 179 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,0,1,0,0,0|2,0,1]=4 180 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,0,1,0,0,0|2,0,1]=4 181 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,0,1,0,0,0|2,0,1]=4 182 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,0,1,0,0,0|2,0,1]=4 183 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,0,1,0,0,0|2,0,1]=4 184 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,0,1,0,0,0|2,0,1]=4 185 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,0,1,0,0,0|2,0,1]=4 186 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,0,1,0,0,0|2,0,1]=4 187 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,0,1,0,0,0|3,0,0]=4 188 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,0,1,0,0,0|2,0,1]=4 189 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,0,1,0,0,0|2,0,1]=4 190 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,0,1,0,0,0|2,0,0]=3 191 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,0,1,0,0,0|2,0,0]=3 192 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,0,1,0,0,0|3,0,0]=4 193 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,0,1,0,0,0|3,0,0]=4 194 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,0,1,0,0,0|3,0,0]=4 195 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,0,1,0,0,0|1,0,2]=4 196 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,0,1,0,0,0|2,0,1]=4 197 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,0,1,0,0,0|2,0,1]=4 198 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,0,1,0,0,0|2,0,1]=4 199 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,0,1,0,0,0|2,0,1]=4 200 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,0,1,0,0,0|1,0,2]=4 201 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,0,1,0,0,0|1,0,2]=4 202 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,0,1,0,0,0|1,0,2]=4 203 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,0,1,0,0,0|1,0,2]=4 204 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,0,1,0,0,0|1,0,2]=4 205 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,0,1,0,0,0|1,0,2]=4 206 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,0,1,0,0,0|1,0,2]=4 207 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,0,1,0,0,0|2,0,1]=4 208 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,0,1,0,0,0|2,0,1]=4 209 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,0,1,0,0,0|2,0,1]=4 210 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,0,1,0,0,0|2,0,1]=4 211 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,0,1,0,0,0|2,0,1]=4 212 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,0,1,0,0,0|2,0,1]=4 213 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,0,1,0,0,0|2,0,1]=4 214 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,0,1,0,0,0|3,0,0]=4 215 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,0,1,0,0,0|3,0,0]=4 216 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,0,1,0,0,0|3,0,0]=4 217 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,0,1,0,0,0|3,0,0]=4 218 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,0,1,0,0,0|0,0,2]=3 219 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,0,1,0,0,0|0,0,2]=3 220 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,0,1,0,0,0|1,0,2]=4 221 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,0,1,0,0,0|1,0,2]=4 222 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,0,1,0|1,0,1]=3 223 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,0,1,0|1,0,1]=3 224 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,0,1,0|2,0,1]=4 225 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,0,0,1,0|2,0,1]=4 226 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,0,0,1,0|2,0,1]=4 227 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,0,0,1,0|2,0,0]=3 228 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,0,0,1,0|2,0,0]=3 229 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,0,0,1,0|2,0,0]=3 230 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,0,1,0|1,0,1]=3 231 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,0,1,0|2,0,1]=4 232 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,0,0,1,0|2,0,1]=4 233 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,0,0,1|2,0,0]=3 234 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,0,0,0,0,1|2,0,0]=3 235 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,0,0,1|2,0,0]=3 236 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [0,0,0,0,0,1|2,0,1]=4 237 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,0,0,1|2,0,1]=4 238 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,0,0,1|2,0,1]=4 239 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,0,0,1|2,0,1]=4 240 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,0,0,1|2,0,1]=4 241 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,0,0,1|2,0,1]=4 242 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,0,0,1|2,0,1]=4 243 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,0,0,1|2,0,1]=4 244 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,0,0,1|2,0,1]=4 245 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,0,0,1|2,0,1]=4 246 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,0,0,1|2,0,1]=4 247 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,0,0,0,0,1|2,0,1]=4 248 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,0,0,0,0,1|3,0,0]=4 249 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,0,0,0,0,1|3,0,0]=4 250 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,0,0,0,0,1|3,0,0]=4 251 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,0,0,0,0,1|3,0,0]=4 252 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,0,0,0,0,1|3,0,0]=4 255 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,0,0,0,0,1|3,0,0]=4 256 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,0,0,0,0,1|3,0,0]=4 257 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,0,0,1|2,0,0]=3 258 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,0,0,0,0,1|2,0,0]=3 259 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,0,0,1|2,0,0]=3 260 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,0,0,0,0,1|2,0,1]=4 261 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,0,0,1|2,0,1]=4 262 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,0,0,1|2,0,1]=4 263 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,0,0,1|2,0,1]=4 264 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,0,0,1|2,0,1]=4 265 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,0,0,1|2,0,1]=4 266 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,0,0,1|2,0,1]=4 267 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,0,0,0,0,1|2,0,1]=4 268 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,0,0,0,0,1|2,0,0]=3 269 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,0,0,1|2,0,0]=3 270 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,0,0,1|2,0,1]=4 271 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,0,0,1|2,0,1]=4 272 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,0,0,1|2,0,1]=4 273 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,0,0,1|3,0,0]=4 274 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,0,0,1|2,0,1]=4 275 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,0,0,1|2,0,1]=4 276 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,0,0,1|2,0,1]=4 277 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,0,0,1|2,0,1]=4 278 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,0,0,0,0,1|3,0,0]=4 279 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,0,0,0,0,1|3,0,0]=4 280 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,0,0,0,0,1|2,0,1]=4 281 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,0,0,0,0,1|2,0,0]=3 282 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,0,0,1|2,0,0]=3 283 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,0,0,1|2,0,1]=4 284 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,0,0,1|3,0,0]=4 285 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,1,0,0,0|2,0,0]=4 286 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,1,0,0,0|2,0,0]=4 287 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,1,0,0,0|1,0,1]=4 288 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,1,0,0,0|1,0,1]=4 289 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,1,0,0,0|1,0,1]=4 290 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,1,0,0,0|1,0,1]=4 291 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,1,0,0,0|1,0,1]=4 292 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,1,0,0,0|1,0,1]=4 293 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,1,0,0,0|1,0,1]=4 294 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,1,0,0,0|1,0,1]=4 295 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,1,0,0,0|1,0,1]=4 296 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,1,0,0,0|0,0,2]=4 297 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,1,0,0,0|2,0,0]=4 298 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,1,0,0,0|1,0,1]=4 299 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,1,0,0,0|1,0,1]=4 300 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,1,0,0,0|1,0,1]=4 301 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,1,0,0,0|2,0,0]=4 302 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,1,0,0,0|1,0,1]=4 303 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,0,1,0,0,0|1,0,1]=4 304 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,0,1,0,0,0|1,0,1]=4 305 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,1,0,0,0|1,0,1]=4 306 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,1,0,0,0|1,0,1]=4 307 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,1,0,0,0|1,0,1]=4 308 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,1,0,0,0|2,0,0]=4 309 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,1,0,0,0|2,0,0]=4 310 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,1,0,0,0|2,0,0]=4 311 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,1,0,0,0|2,0,0]=4 312 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,0,1,0,0,0|0,0,2]=4 313 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,0,1,0,0,0|0,0,2]=4 314 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,1,0,0,0|2,0,0]=4 315 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,1,0,0,0|2,0,0]=4 316 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,1,1,0,0,0|0,0,2]=4 317 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,1,0,0,0|2,0,0]=4 318 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,1,0,0,0|2,0,0]=4 319 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,1,0,0,0|2,0,0]=4 320 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,1,0,0,0|2,0,0]=4 321 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,1,0,0,0|2,0,0]=4 322 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,1,0,0,0|1,0,1]=4 323 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,1,0,0,0|2,0,0]=4 324 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,1,0,0,0|2,0,0]=4 325 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,1,0,0,0|1,0,1]=4 326 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,1,0,0,0|1,0,1]=4 327 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,1,0,0,0|1,0,1]=4 328 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,1,0,0,0|1,0,1]=4 329 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,1,1,0,0,0|1,0,0]=3 330 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,1,1,0,0,0|2,0,0]=4 331 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,1,1,0,0,0|2,0,0]=4 332 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,1,1,0,0,0|2,0,0]=4 333 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,1,1,0,0,0|2,0,0]=4 334 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,1,1,0,0,0|2,0,0]=4 335 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,1,1,0,0,0|2,0,0]=4 336 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,1,1,0,0,0|2,0,0]=4 337 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,1,1,0,0,0|2,0,0]=4 338 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,1,0,0,0|1,0,1]=4 339 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,1,0,0,0|1,0,1]=4 340 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,1,1,0,0,0|2,0,0]=4 341 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,1,1,0,0,0|2,0,0]=4 342 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,1,1,0,0,0|2,0,0]=4 343 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,1,1,0,0,0|2,0,0]=4 344 B8R0.7 C=C(C)C=NNCCC 4a_100000740057_100000210575 [0,1,1,0,0,0|2,0,0]=4 345 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,1,1,0,0,0|2,0,0]=4 346 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,1,1,0,0,0|2,0,0]=4 347 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [0,1,1,0,0,0|2,0,0]=4 348 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,1,1,0,0,0|2,0,0]=4 349 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,1,1,0,0,0|2,0,0]=4 350 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,1,1,0,0,0|0,0,2]=4 351 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,1,1,0,0,0|0,0,2]=4 352 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,1,1,0,0,0|0,0,2]=4 353 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,1,1,0,0,0|1,0,1]=4 354 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,1,1,0,0,0|0,0,2]=4 355 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,1,1,0,0,0|0,0,2]=4 356 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,1,1,0,0,0|0,0,2]=4 357 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,1,1,0,0,0|0,0,2]=4 358 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,1,1,0,0,0|1,0,1]=4 359 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,1,1,0,0,0|2,0,0]=4 360 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,1,1,0,0,0|2,0,0]=4 361 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,1,0,0,0|1,0,1]=4 362 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,1,1,0,0,0|1,0,1]=4 363 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,1,0,0,0|1,0,1]=4 364 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,1,1,0,0,0|0,0,2]=4 365 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,1,0,0,0|0,0,2]=4 366 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,1,1,0,0,0|0,0,2]=4 367 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,1,1,0,0,0|0,0,2]=4 368 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,1,1,0,0,0|0,0,2]=4 369 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,1,0,0,0|0,0,2]=4 370 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,1,1,0,0,0|2,0,0]=4 371 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,1,1,0,0,0|2,0,0]=4 372 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,1,1,0,0,0|2,0,0]=4 373 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,1,1,0,0,0|2,0,0]=4 374 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,1,1,0,0,0|2,0,0]=4 375 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,1,1,0,0,0|2,0,0]=4 376 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,1,1,0,0,0|2,0,0]=4 377 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,1,1,0,0,0|2,0,0]=4 378 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,1,1,0,0,0|2,0,0]=4 379 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,1,1,0,0,0|2,0,0]=4 380 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,1,1,0,0,0|2,0,0]=4 381 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,1,1,0,0,0|2,0,0]=4 382 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,1,1,0,0,0|2,0,0]=4 383 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,1,0,0,0|2,0,0]=4 384 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,1,0,0,0|1,0,1]=4 385 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,1,1,0,0,0|2,0,0]=4 386 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,1,1,0,0,0|2,0,0]=4 387 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,1,0,0,0|1,0,1]=4 388 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,1,0,0,0|1,0,1]=4 389 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,1,0,0,0|1,0,1]=4 390 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,1,0,0,0|0,0,2]=4 391 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,1,0,0,0|1,0,1]=4 392 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,1,0,0,0|1,0,1]=4 393 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,1,0,0,0|1,0,1]=4 394 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,1,0,0,0|1,0,1]=4 395 B8R0.3 CNC(=O)/C(=N/OC)/C 11a_106832991635_100160996864 [0,1,1,0,0,0|2,0,0]=4 396 B8R0.3 CNC(=O)/C(=N/OC)/C 240690a_100102657272_100160996864 [0,1,1,0,0,0|2,0,0]=4 397 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,1,1,0,0,0|2,0,0]=4 398 B8R0.3 CO/N=C(\C)/C(=O)CF 1458a_100160996864_100015361967 [0,1,1,0,0,0|2,0,0]=4 399 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,1,1,0,0,0|2,0,0]=4 400 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,1,1,0,0,0|2,0,0]=4 401 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,1,1,0,0,0|2,0,0]=4 402 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,1,1,0,0,0|2,0,0]=4 403 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,1,1,0,0,0|2,0,0]=4 404 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,1,1,0,0,0|0,0,2]=4 405 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,1,1,0,0,0|0,0,2]=4 406 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,1,1,0,0,0|0,0,2]=4 407 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,1,1,0,0,0|0,0,2]=4 408 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,1,0,0,0|0,0,2]=4 409 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,1,1,0,0,0|0,0,2]=4 410 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,1,1,0,0,0|0,0,2]=4 411 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,1,1,0,0,0|0,0,2]=4 412 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,1,1,0,0,0|0,0,2]=4 413 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,1,1,0,0,0|1,0,1]=4 414 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,1,1,0,0,0|0,0,2]=4 415 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,1,1,0,0,0|0,0,2]=4 416 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,1,1,0,0,0|0,0,2]=4 417 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,1,1,0,0,0|1,0,1]=4 418 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,1,1,0,0,0|1,0,1]=4 419 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,1,1,0,0,0|1,0,1]=4 420 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,1,1,0,0,0|1,0,1]=4 421 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,1,1,0,0,0|1,0,1]=4 422 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,1,1,0,0,0|1,0,1]=4 423 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,1,1,0,0,0|1,0,1]=4 424 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,1,1,0,0,0|1,0,1]=4 425 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,1,1,0,0,0|1,0,1]=4 426 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [0,1,1,0,0,0|2,0,0]=4 427 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [0,1,1,0,0,0|2,0,0]=4 428 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,1,1,0,0,0|0,0,2]=4 429 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,1,1,0,0,0|0,0,2]=4 430 B8R1.8 COCC1=NCCN1 34a_100138415774_100000737910 [1,1,0,0,0,0|1,0,1]=4 431 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [1,1,0,0,0,0|2,0,0]=4 432 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [1,1,0,0,0,0|2,0,0]=4 433 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,1,0,0,1,0|1,0,1]=4 434 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,1,0,0,1,0|1,0,1]=4 435 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,1,0,0,1,0|2,0,0]=4 436 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,1,0,0,1,0|2,0,0]=4 437 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,1,0,0,1,0|2,0,0]=4 438 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,1,0,0,1,0|2,0,0]=4 439 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,1,0,0,1,0|2,0,0]=4 440 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,1,0,0,1,0|2,0,0]=4 441 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,1,0,0,1,0|2,0,0]=4 442 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,1,0,0,1,0|2,0,0]=4 443 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,1,0,0,1,0|2,0,0]=4 444 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,1,0,0,1,0|1,0,1]=4 445 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,1,0,0,1,0|1,0,1]=4 446 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,1,0,0,1,0|1,0,1]=4 447 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,1,0,0,1,0|1,0,1]=4 448 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,1,0,0,1,0|2,0,0]=4 449 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,1,0,0,1,0|2,0,0]=4 450 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,1,0,0,1,0|2,0,0]=4 451 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,1,0,0,1,0|0,0,2]=4 452 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,1,0,0,1,0|0,0,2]=4 453 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,1,0,0,1,0|1,0,1]=4 454 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,1,0,0,1,0|1,0,1]=4 455 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [0,1,0,0,1,0|2,0,0]=4 456 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,0,1,0|1,0,1]=4 457 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,0,1,0|1,0,1]=4 458 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,1,0,0,1,0|2,0,0]=4 459 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,1,0,0,1,0|2,0,0]=4 460 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,1,0,0,1,0|2,0,0]=4 461 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,1,0,0,1,0|1,0,1]=4 462 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,1,0,0,1,0|1,0,1]=4 463 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,1,0,0,1,0|1,0,1]=4 464 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,1,0,0,1,0|1,0,1]=4 465 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,1,0,0,1,0|2,0,0]=4 466 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,1,0,0,1,0|2,0,0]=4 467 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,1,0,0,1,0|1,0,1]=4 468 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,0,1,0|0,0,1]=3 469 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,0,1,0|1,0,1]=4 470 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,0,1,0|1,0,0]=3 471 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,0,1,0|1,0,0]=3 472 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,1,0,0,1,0|1,0,1]=4 473 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,1,0,0,1,0|1,0,1]=4 474 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,1,0,0,1,0|1,0,1]=4 475 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,1,0,0,1,0|1,0,1]=4 476 B10R1.13 CC(=O)C1=NNC(=O)CC1 1458a_100000183032_200000210301 [0,1,0,0,0,1|1,0,1]=4 477 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,1,0,0,0,1|1,0,1]=4 478 B10R1.13 [13CH3]C(=O)C1=NNC(=O)CC1 1458a_100000183032_200025704644 [0,1,0,0,0,1|1,0,1]=4 479 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,1,0,0,0,1|1,0,1]=4 480 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,1,0,0,0,1|2,0,0]=4 481 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [0,1,0,0,0,1|2,0,0]=4 482 B10R1.15 CCC(=O)C1=COCCC1 1458a_100000749935_100000210202 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,1,0,0,0,1|2,0,0]=4 484 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,1,0,0,0,1|2,0,0]=4 485 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,1,0,0,0,1|2,0,0]=4 486 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.15 CNC(=O)C1=CCCCO1 11a_106832991635_100000764163 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.15 CNC(=O)C1=CCCCO1 1626a_100102657272_100000764163 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.15 CNC(=O)C1=CCCCO1 240690a_100102657272_100000764163 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.15 CNC(=O)C1=CCCCO1 527a_100102657272_100000764163 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.15 CNC(=O)C1=COCCC1 1626a_100102657272_100000749935 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.15 CNC(=O)C1=COCCC1 527a_100102657272_100000749935 [0,1,0,0,0,1|2,0,0]=4 493 B10R1.15 O=C(CF)C1=CCCCC1 1458a_100000765259_100015361967 [0,1,0,0,0,1|2,0,0]=4 494 B10R1.15 O=C(CF)C1=CCCCO1 1458a_100000764163_100015361967 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.15 O=C(CF)C1=COCCC1 1458a_100000749935_100015361967 [0,1,0,0,0,1|2,0,0]=4 496 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,0,0,1|1,0,1]=4 497 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,0,0,1|1,0,1]=4 498 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,0,0,1|1,0,1]=4 499 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,0,0,1|1,0,1]=4 500 B10R1.15 O=C(CO)N1CCCOC1 240690a_100000131196_100000210174 [0,1,0,0,0,1|2,0,0]=4 501 B10R1.15 O=C(CO)N1CCOCC1 240690a_100015191051_100000210174 [0,1,0,0,0,1|2,0,0]=4 502 B10R1.15 O=C(CO)N1CCOCC1 527a_100015191051_100000210174 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.15 O=C(CO)N1CCSCC1 240690a_100000737611_100000210174 [0,1,0,0,0,1|2,0,0]=4 504 B10R1.15 O=C(CO)N1CCSCC1 527a_100000737611_100000210174 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,0,0,1|0,0,2]=4 506 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,1,0,0,0,1|0,0,2]=4 507 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,1,0,0,0,1|0,0,2]=4 508 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,1,0,0,0,1|0,0,2]=4 509 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,0,0,1|0,0,2]=4 510 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,1,0,0,0,1|0,0,2]=4 511 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,1,0,0,0,1|0,0,2]=4 512 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,1,0,0,0,1|0,0,2]=4 513 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.27 CNC(=O)C=C1CCCC1 11a_106832991635_100000743260 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.27 CNC(=O)C=C1CCCC1 1626a_100102657272_100000743260 [0,1,0,0,0,1|2,0,0]=4 517 B10R1.27 CNC(=O)C=C1CCCC1 240690a_100102657272_100000743260 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.27 CNC(=O)C=C1CCCC1 527a_100102657272_100000743260 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.27 CNC(=O)CC1=CCCC1 11a_106832991635_100000050221 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.27 CNC(=O)CC1=CCCC1 1626a_100102657272_100000050221 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.27 CNC(=O)CC1=CCCC1 240690a_100102657272_100000050221 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.27 CNC(=O)CC1=CCCC1 527a_100102657272_100000050221 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [0,1,0,0,0,1|2,0,0]=4 524 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [0,1,0,0,0,1|2,0,0]=4 525 B10R1.27 O=C(C=C1CCCC1)CF 1458a_100000743260_100015361967 [0,1,0,0,0,1|2,0,0]=4 526 B10R1.27 O=C(CF)CC1=CCCC1 1458a_100000050221_100015361967 [0,1,0,0,0,1|2,0,0]=4 527 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,0,0,1|1,0,1]=4 528 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,1,0,0,0,1|1,0,1]=4 529 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,1,0,0,0,1|1,0,1]=4 530 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,1,0,0,0,1|1,0,1]=4 531 B10R1.11 C#CCC(=O)C1=CCCC1 1458a_100000038896_100000184674 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.11 C=CCC(=O)C1=CCCC1 1458a_100000038896_100000210623 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.11 CNNC(=O)C1=CCCC1 22a_100016993582_100000038896 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,2,0,0,0,0|1,0,1]=4 538 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.11 N#CCC(=O)C1=CCCC1 1458a_100000038896_100011214920 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.11 O=C(CCF)C1=CCCC1 1458a_100000038896_100011217306 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.11 O=C(CCO)C1=CCCC1 1458a_100000038896_100000211926 [0,2,0,0,0,0|1,0,0]=3 545 B10R1.11 O=C(CCO)C1=CCOC1 1458a_100000139269_100000211926 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.11 O=C(CCO)C1=COCC1 1458a_100000750620_100000211926 [0,2,0,0,0,0|2,0,0]=4 547 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,2,0,0,0,0|1,0,1]=4 548 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,2,0,0,0,0|1,0,1]=4 549 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,2,0,0,0,0|1,0,1]=4 550 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,2,0,0,0,0|1,0,1]=4 552 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.14 O=C(CO)N1CCC(C1)O 240690a_100011215560_100000210174 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.14 O=C(CO)N1CCC(C1)O 527a_100011215560_100000210174 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 240690a_100015203821_100000210174 [0,2,0,0,0,0|2,0,0]=4 558 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 527a_100015203821_100000210174 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,2,0,0,0,0|0,0,2]=4 560 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,2,0,0,0,0|0,0,2]=4 561 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,2,0,0,0,0|0,0,2]=4 562 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,2,0,0,0,0|0,0,2]=4 563 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,2,0,0,0,0|1,0,1]=4 568 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,2,0,0,0,0|1,0,1]=4 569 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,2,0,0,0,0|1,0,1]=4 570 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [0,2,0,0,0,0|0,0,2]=4 571 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [0,2,0,0,0,0|0,0,2]=4 572 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [0,2,0,0,0,0|0,0,2]=4 573 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [0,2,0,0,0,0|0,0,2]=4 574 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,2,0,0,0,0|0,0,2]=4 575 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,2,0,0,0,0|0,0,2]=4 576 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,2,0,0,0,0|0,0,2]=4 577 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,2,0,0,0,0|0,0,2]=4 578 B10R1.477 CNC1(CCCC1)C(=O)O 269956a_100000739329_200000210301 [0,2,0,0,0,0|1,0,1]=4 579 B10R1.477 [13CH3]NC1(CCCC1)C(=O)O 269956a_100000739329_200025704644 [0,2,0,0,0,0|1,0,1]=4 580 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,0,1,1,0,0|2,0,0]=4 581 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,0,1,1,0,0|2,0,0]=4 582 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,1,1,0,0|2,0,0]=4 583 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,1,1,0,0|0,0,2]=4 584 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,1,1,0,0|2,0,0]=4 585 B8R1.18 Cc1nc(c(s1)O)C 271570a_203496583355_100009814099 [0,0,1,1,0,0|0,1,1]=4 586 B8R1.18 Cc1nn(cc1O)C 271570a_203496583355_100011996311 [0,0,1,1,0,0|2,0,0]=4 587 B8R1.18 Cc1nn(nc1O)C 271570a_203496583355_200009884731 [0,0,1,1,0,0|2,0,0]=4 588 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [0,0,1,1,0,0|0,0,2]=4 589 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [0,0,1,1,0,0|0,0,2]=4 590 B10R2.2 Oc1cn2c(n1)CCC2 271570a_203496583355_100015205953 [0,0,0,1,0,1|1,0,1]=4 591 B10R2.32 Oc1n[nH]c2c1CCC2 271570a_203496583355_100010892149 [0,1,0,1,0,0|2,0,0]=4 592 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,0,2,0|1,0,1]=4 593 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,0,2,0|1,0,1]=4 594 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,0,1,0,0,1|2,0,0]=4 595 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,0,1,0,0,1|0,0,2]=4 596 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,0,1,0,0,1|0,0,2]=4 597 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,0,0,0,0,2|2,0,0]=4 598 B10R1.18 CC(=O)C=C1CCOCC1 1458a_100000761426_200000210301 [0,0,0,0,0,2|2,0,0]=4 599 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,0,0,0,0,2|2,0,0]=4 600 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,0,0,0,0,2|2,0,0]=4 601 B10R1.18 [13CH3]C(=O)C=C1CCOCC1 1458a_100000761426_200025704644 [0,0,0,0,0,2|2,0,0]=4 602 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,0,0,0,0,2|2,0,0]=4 603 B10R1.66 CC(=O)C=CC1=CCCC1 1458a_100016262312_200000210301 [0,0,0,0,0,2|2,0,0]=4 604 B10R1.66 CC(=O)CNC1=NCCC1 1458a_100000118783_200000210301 [0,0,0,0,0,2|1,0,0]=3 605 B10R1.66 CC(=O)NN=C1CCCC1 4a_100000189765_100000210133 [0,0,0,0,0,2|2,0,0]=4 606 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,0,0,0,0,2|1,0,1]=4 607 B10R1.66 [13CH3]C(=O)C=CC1=CCCC1 1458a_100016262312_200025704644 [0,0,0,0,0,2|2,0,0]=4 608 B10R1.66 [13CH3]C(=O)CNC1=NCCC1 1458a_100000118783_200025704644 [0,0,0,0,0,2|1,0,0]=3