0 B10R1.66 C=C(C)CCN1CCCC1 2230a_100000188435_100000730704 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.66 C=C(C)CCN1CCCC1 269982a_100000188435_100000730704 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.66 C=C(C)CNC1CCCC1 2230a_100000211070_100000748629 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.66 C=C(C)CNC1CCCC1 34a_100000211070_100000748629 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.66 C=C(C)COC1CCCC1 34a_100000210245_100000179811 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.66 C=C(C)COC1CCCC1 34a_100000210269_100000748629 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.66 C=C(C)COC1CCCC1 7a_100000210269_100000748629 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 C=C(C)COC1CCCO1 34a_100000085407_100000748629 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.66 C=C(C)CSC1CCCC1 62a_100000748629_100000179811 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.66 C=C(C)CSC1CCCC1 62a_100011217020_100000211660 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.66 C=C(F)COC1CCCO1 34a_100000085407_100009893438 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.66 CC(=CCN1CCCC1)C 2230a_100000188435_100000761012 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.66 CC(=CCN1CCCC1)C 269982a_100000188435_100000761012 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.66 CC(=O)C=CC1=CCCC1 1458a_100016262312_200000210301 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.66 CC(=O)CCN1CCSC1 269982a_100011215254_100000053229 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.66 CC(=O)CNC1=NCCC1 1458a_100000118783_200000210301 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.66 CC(=O)COC1CCOC1 34a_100000211253_100000690089 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.66 CC(=O)NCC1OCCO1 11a_100000036311_100015343762 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.66 CC(=O)NCC1OCCO1 1626a_100000036311_100015343762 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.66 CC(=O)NCC1OCCO1 527a_100000036311_100103153847 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,0,0,0,0,0|1,0,0]=1 41 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,0,0,0,0,0|1,0,0]=1 42 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,0,0,0,0,0|1,0,0]=1 43 B10R1.66 CC(=O)NN=C1CCCC1 4a_100000189765_100000210133 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.66 CC(=O)NNC1CCOC1 22a_100000690549_100000070787 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.66 CC(=O)NNC1CCSC1 22a_200000731317_100000070787 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.66 CC(=O)OCN1CC=CC1 269982a_100015195280_100000076356 [0,0,0,0,0,0|2,0,2]=4 48 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.66 CC(=O)OCN1CCSC1 269982a_100011215254_100000076356 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.66 CC(C)COC1CCCO1 34a_100000085407_100000210624 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.66 CC(C)NCC1CCCC1 2230a_100000737975_100000210206 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.66 CC(C)NCC1CCCC1 2230a_100138425928_100000740388 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.66 CC(C)NCC1CCCC1 34a_100000737975_100000210206 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.66 CC(C)NCC1CCCC1 34a_100138425928_100000740388 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.66 CC(C)NCC1CCCO1 2230a_100138425928_100000203698 [0,0,0,0,0,0|2,0,1]=3 56 B10R1.66 CC(C)NCC1OCCO1 2230a_100000036311_100000210206 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.66 CC(C)NCC1OCCO1 2230a_100138425928_100000755774 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.66 CC(C)NCC1OCCO1 34a_100000036311_100000210206 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.66 CC(C)NCC1OCCO1 34a_100138425928_100000755774 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.66 CC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000210206 [0,0,0,0,0,0|2,0,1]=3 61 B10R1.66 CC(C)NC[C@@H]1CCCO1 34a_100020590478_100000210206 [0,0,0,0,0,0|2,0,1]=3 62 B10R1.66 CC(C)OCC1CCCC1 34a_100000212225_100000740388 [0,0,0,0,0,0|2,0,1]=3 63 B10R1.66 CC(C)OCC1CCCC1 34a_100000742336_100000210206 [0,0,0,0,0,0|2,0,1]=3 64 B10R1.66 CC(C)OCC1CCCC1 7a_100000742336_100000210206 [0,0,0,0,0,0|2,0,1]=3 65 B10R1.66 CC(C)OCC1CCCO1 34a_100000210270_100000210206 [0,0,0,0,0,0|1,0,1]=2 66 B10R1.66 CC(C)OCC1CCCO1 7a_100000210270_100000210206 [0,0,0,0,0,0|1,0,1]=2 67 B10R1.66 CC(C)OCC1CCNC1 34a_100000748654_100000210206 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.66 CC(C)OCC1CCOC1 34a_100000212225_100011261433 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.66 CC(C)OCC1CCOC1 34a_100000740260_100000210206 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.66 CC(C)OCC1COCO1 34a_100011216627_100000210206 [0,0,0,0,0,0|2,0,1]=3 71 B10R1.66 CC(C)OCC1OCCO1 34a_100000087154_100000210206 [0,0,0,0,0,0|2,0,1]=3 72 B10R1.66 CC(C)OCC1OCCO1 34a_100000212225_100000755774 [0,0,0,0,0,0|2,0,1]=3 73 B10R1.66 CC(C)OCN1CCCC1 2230a_100000188435_100000709892 [0,0,0,0,0,0|3,0,1]=4 74 B10R1.66 CC(C)OCN1CCCC1 269982a_100000188435_100000709892 [0,0,0,0,0,0|3,0,1]=4 75 B10R1.66 CC(C)OC[C@H]1CCCN1 34a_100000745186_100000210206 [0,0,0,0,0,0|2,0,1]=3 76 B10R1.66 CC(C)SCC1CCCC1 62a_100000210206_100000740388 [0,0,0,0,0,0|2,1,1]=4 77 B10R1.66 CC(C)SCC1CCCC1 62a_100000740388_100000210206 [0,0,0,0,0,0|2,1,1]=4 78 B10R1.66 CC(C)SCC1CCCO1 62a_100000203698_100000210206 [0,0,0,0,0,0|1,1,1]=3 79 B10R1.66 CC(C)SCC1CCCO1 62a_100000210206_100000203698 [0,0,0,0,0,0|1,1,1]=3 80 B10R1.66 CC(C)SCC1OCCO1 62a_100000210206_100000755774 [0,0,0,0,0,0|2,1,1]=4 81 B10R1.66 CC(C)SCC1OCCO1 62a_100000755774_100000210206 [0,0,0,0,0,0|2,1,1]=4 82 B10R1.66 CC(O)COC1CCCO1 34a_100000085407_100011218427 [0,0,0,0,0,0|2,0,2]=4 83 B10R1.66 CN(C)CCC1CCCC1 2230a_100102631434_100000760354 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.66 CN(C)CCC1CCCC1 269982a_100102631434_100000760354 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.66 CN(C)CCC1OCCO1 2230a_100102631434_100000740749 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.66 CN(C)CCC1OCCO1 269982a_100102631434_100000740749 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.66 C[C@@H](O)COC1CCCO1 34a_100000085407_100009817552 [0,0,0,0,0,0|2,0,2]=4 88 B10R1.66 NC(=O)CCN1CCCC1 2230a_100000188435_100000744528 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.66 NC(=O)CCN1CCCC1 269982a_100000188435_100000744528 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [0,0,0,0,0,0|4,0,0]=4 93 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [0,0,0,0,0,0|4,0,0]=4 94 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.66 NC(=O)COC1CCCO1 34a_100000085407_100000187820 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [0,0,0,0,0,0|4,0,0]=4 97 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [0,0,0,0,0,0|4,0,0]=4 98 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [0,0,0,0,0,0|4,0,0]=4 100 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [0,0,0,0,0,0|4,0,0]=4 101 B10R1.66 O=C([O-])COC1CCCO1 34a_100000085407_100020667443 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [0,0,0,0,0,0|4,0,0]=4 103 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [0,0,0,0,0,0|4,0,0]=4 104 B10R1.66 O=[N+]([O-])COC1CCCO1 34a_100000085407_100000761209 [0,0,0,0,0,0|4,0,0]=4 105 B10R1.66 [13CH3]C(=O)C=CC1=CCCC1 1458a_100016262312_200025704644 [0,0,0,0,0,0|2,0,2]=4 106 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,0,0,0,0,0|2,0,0]=2 107 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,0,0,0,0,0|1,0,0]=1 108 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,0,0,0,0,0|2,0,0]=2 109 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,0,0,0,0,0|3,0,0]=3 110 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,0,0,0,0,0|2,0,0]=2 111 B10R1.66 [13CH3]C(=O)CNC1=NCCC1 1458a_100000118783_200025704644 [0,0,0,0,0,0|3,0,1]=4 112 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,0,0,0,0,0|3,0,0]=3 113 B9R1.12 C/C=C/CN1CCCC1 269982a_100000188435_100102629194 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.12 C=CCOC1CCCO1 34a_100000085407_100015514636 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.12 CC=CCN1CCCC1 2230a_100000188435_100000070051 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.12 CC=NNC1CCCC1 4a_100000737850_200000210099 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [1,0,0,0,0,0|1,0,1]=3 123 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [1,0,0,0,0,0|1,0,1]=3 127 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [1,0,0,0,0,0|1,0,1]=3 128 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [1,0,0,0,0,0|1,0,1]=3 129 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [1,0,0,0,0,0|1,0,1]=3 130 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [1,0,0,0,0,0|1,0,1]=3 131 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [1,0,0,0,0,0|0,0,1]=2 132 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [1,0,0,0,0,0|0,0,1]=2 133 B9R1.12 CCOCC1CCNC1 34a_100000748654_100000210202 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [1,0,0,0,0,0|1,0,1]=3 137 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [1,0,0,0,0,0|1,0,1]=3 138 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [1,0,0,0,0,0|1,0,1]=3 139 B9R1.12 CCOCN1CCCC1 269982a_100000188435_100000739092 [1,0,0,0,0,0|2,0,1]=4 140 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [1,0,0,0,0,0|1,0,1]=3 141 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [1,0,0,0,0,0|1,1,1]=4 142 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [1,0,0,0,0,0|1,1,1]=4 143 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [1,0,0,0,0,0|0,1,1]=3 144 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [1,0,0,0,0,0|0,1,1]=3 145 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [1,0,0,0,0,0|1,1,1]=4 146 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [1,0,0,0,0,0|1,1,1]=4 147 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.12 FCNC[C@@H]1CCCO1 34a_100020590478_100015361967 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [1,0,0,0,0,0|2,0,1]=4 167 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [1,0,0,0,0,0|2,0,1]=4 168 B9R1.12 FCOCC1CCCO1 34a_100000210270_100015361967 [1,0,0,0,0,0|1,0,1]=3 169 B9R1.12 FCOCC1CCCO1 7a_100000210270_100015361967 [1,0,0,0,0,0|1,0,1]=3 170 B9R1.12 FCOCC1COCO1 34a_100011216627_100015361967 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.12 FCOCC1OCCO1 34a_100000087154_100015361967 [1,0,0,0,0,0|2,0,1]=4 172 B9R1.12 FCOC[C@H]1CCCN1 34a_100000745186_100015361967 [1,0,0,0,0,0|2,0,1]=4 173 B9R1.12 FCSCC1CCCO1 62a_100000203698_100015361967 [1,0,0,0,0,0|1,1,1]=4 174 B9R1.12 FCSCC1CCCO1 62a_100015361967_100000203698 [1,0,0,0,0,0|1,1,1]=4 175 B9R1.12 O=CCNC1CCCC1 2230a_100000211070_200015260668 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.12 O=CCNC1CCCC1 34a_100000211070_200009817547 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.12 O=CCOC1CCCC1 34a_100000210269_200009817547 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.12 O=CCOC1CCCC1 7a_100000210269_200015260668 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.12 O=CCOC1CCCO1 34a_100000085407_200009817547 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.12 O=CCSC1CCCC1 62a_100011217020_200015260668 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.12 O=CCSC1CCCC1 62a_200015260668_100000179811 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [1,0,0,0,0,0|3,0,0]=4 191 B11R1.25 C#CC(=O)CCC1CCCC1 1458a_100000211873_100000760354 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.25 C#CC(=O)CCC1OCCO1 1458a_100000211873_100000740749 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.25 C#CC(C)NCC1CCCO1 2230a_100000707721_100000203698 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.25 C#CC(C)NC[C@@H]1CCCO1 34a_100020590478_200000035995 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.25 C#CC(C)OCC1CCCC1 34a_100000742336_200000035995 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.25 C#CC(C)OCC1CCCO1 34a_100000210270_200000035995 [0,1,0,0,0,0|1,0,1]=3 197 B11R1.25 C#CC(C)OCC1COCO1 34a_100011216627_200000035995 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.25 C#CC(C)OCC1OCCO1 34a_100000087154_200000035995 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.25 C#CC(C)OC[C@H]1CCCN1 34a_100000745186_200000035995 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.25 C#CC(C)SCC1CCCO1 62a_200000035995_100000203698 [0,1,0,0,0,0|1,1,1]=4 201 B11R1.25 C#C[C@@H](C)OCC1CCCC1 34a_100009815206_100000740388 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.25 C#C[C@@H](C)OCC1CCCC1 7a_100009815206_100000740388 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.25 C#C[C@@H](C)OCC1CCCO1 7a_100009815206_100000203698 [0,1,0,0,0,0|1,0,1]=3 204 B11R1.25 C#C[C@@H](C)OCC1OCCO1 34a_100009815206_100000755774 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.25 C#C[C@@H](C)OCC1OCCO1 7a_100009815206_100000755774 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.25 C=CC(=O)CCC1CCCC1 1458a_100000185746_100000760354 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.25 C=CC(=O)CCC1OCCO1 1458a_100000185746_100000740749 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.25 C=CC(=O)NCC1CCCC1 1626a_100000737975_100000185746 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.25 C=CC(=O)NCC1CCCC1 240690a_100000737975_200121576911 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.25 C=CC(=O)NCC1OCCO1 1626a_100000036311_100000185746 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.25 C=CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000185746 [0,1,0,0,0,0|1,0,1]=3 212 B11R1.25 C=CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_200121576911 [0,1,0,0,0,0|1,0,1]=3 213 B11R1.25 C=CC(C)OCC1CCCC1 34a_100000695699_100000740388 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.25 C=CC(C)OCC1OCCO1 34a_100000695699_100000755774 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.25 C=CC(C)SCC1CCCO1 62a_100011215867_100000203698 [0,1,0,0,0,0|1,1,1]=4 216 B11R1.25 CC(C#N)NCC1CCCO1 2230a_100000737613_100000203698 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.25 CC(C#N)NC[C@@H]1CCCO1 2230a_100020590478_100000184139 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.25 CC(C#N)OCC1CCCC1 34a_100011218135_100000740388 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.25 CC(C#N)OCC1CCCC1 7a_100000742336_100000703298 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.25 CC(C#N)OCC1CCCO1 7a_100000210270_100000703298 [0,1,0,0,0,0|1,0,1]=3 221 B11R1.25 CC(C#N)OCC1OCCO1 34a_100011218135_100000755774 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.25 CC(C#N)SCC1CCCO1 62a_100000203698_100000703298 [0,1,0,0,0,0|1,1,1]=4 223 B11R1.25 CC(C#N)SCC1CCCO1 62a_100000703298_100000203698 [0,1,0,0,0,0|1,1,1]=4 224 B11R1.25 CC(CF)OCC1CCCC1 34a_100016041109_100000740388 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.25 CC(CF)OCC1CCCC1 7a_100016041109_100000740388 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.25 CC(CF)OCC1CCCO1 7a_100016041109_100000203698 [0,1,0,0,0,0|1,0,1]=3 227 B11R1.25 CC(CF)OCC1OCCO1 34a_100016041109_100000755774 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.25 CC(CF)OCC1OCCO1 7a_100016041109_100000755774 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.25 CC(CN)OCC1CCCC1 34a_100000210904_100000740388 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.25 CC(CN)OCC1OCCO1 34a_100000210904_100000755774 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.25 CC(CO)NC[C@@H]1CCCO1 2230a_100020590478_100012180447 [0,1,0,0,0,0|1,0,2]=4 232 B11R1.25 CC(CO)NC[C@@H]1CCCO1 34a_100020590478_100012180447 [0,1,0,0,0,0|1,0,2]=4 233 B11R1.25 CC(CO)OCC1CCCC1 34a_100000742336_100012180447 [0,1,0,0,0,0|1,0,2]=4 234 B11R1.25 CC(CO)OCC1CCCC1 7a_100000742336_100012180447 [0,1,0,0,0,0|1,0,2]=4 235 B11R1.25 CC(CO)OCC1CCCO1 34a_100000210270_100012180447 [0,1,0,0,0,0|0,0,2]=3 236 B11R1.25 CC(CO)OCC1CCCO1 7a_100000210270_100012180447 [0,1,0,0,0,0|0,0,2]=3 237 B11R1.25 CC(CO)OCC1COCO1 34a_100011216627_100012180447 [0,1,0,0,0,0|1,0,2]=4 238 B11R1.25 CC(CO)OCC1OCCO1 34a_100000087154_100012180447 [0,1,0,0,0,0|1,0,2]=4 239 B11R1.25 CC(CO)OC[C@H]1CCCN1 34a_100000745186_100012180447 [0,1,0,0,0,0|1,0,2]=4 240 B11R1.25 CC(CO)SCC1CCCO1 62a_100012180447_100000203698 [0,1,0,0,0,0|0,1,2]=4 241 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000082924_100000210202 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000210414_100000740749 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000210414_100000004467 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000738983_100000210202 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.25 CCC(=O)CCN1CCCO1 1458a_200015187630_100000210202 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.25 CCC(=O)COC1CCCC1 1458a_100000741352_100000210202 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.25 CCC(=O)COC1CCCC1 34a_100000725409_100000179811 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.25 CCC(=O)COC1CCCC1 7a_100000210269_100000747405 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.25 CCC(=O)CSC1CCCC1 62a_100000747405_100000179811 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.25 CCC(=O)CSC1CCCC1 62a_100011217020_100000747405 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.25 CCC(=O)NCC1CCOC1 11a_100000737293_100000210414 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.25 CCC(=O)NCC1CCOC1 1626a_100000737293_100000210414 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.25 CCC(=O)NCC1CCOC1 240690a_100000737293_100000210414 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.25 CCC(=O)NCC1CCOC1 527a_100000737293_100000210414 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.25 CCC(=O)NCC1OCCO1 11a_100000036311_100000210414 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.25 CCC(=O)NCC1OCCO1 1626a_100000036311_100000210414 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.25 CCC(=O)NCC1OCCO1 527a_100000036311_100000210414 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210414 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210414 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210414 [0,1,0,0,0,0|1,0,0]=2 268 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210414 [0,1,0,0,0,0|1,0,0]=2 269 B11R1.25 CCC(=O)NNC1CCCC1 22a_100000737850_100000210414 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.25 CCC(C)NCC1CCCO1 2230a_100000209981_100000203698 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.25 CCC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000758301 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.25 CCC(C)NC[C@@H]1CCCO1 34a_100020590478_100011215416 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.25 CCC(C)OCC1CCCC1 34a_100000742336_100011215416 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.25 CCC(C)OCC1CCCC1 7a_100000210228_100000740388 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.25 CCC(C)OCC1CCCC1 7a_100000742336_100000758301 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.25 CCC(C)OCC1CCCO1 34a_100000210270_100011215416 [0,1,0,0,0,0|1,0,1]=3 277 B11R1.25 CCC(C)OCC1CCCO1 7a_100000210228_100000203698 [0,1,0,0,0,0|1,0,1]=3 278 B11R1.25 CCC(C)OCC1CCCO1 7a_100000210270_100000758301 [0,1,0,0,0,0|1,0,1]=3 279 B11R1.25 CCC(C)OCC1COCO1 34a_100011216627_100011215416 [0,1,0,0,0,0|2,0,1]=4 280 B11R1.25 CCC(C)OCC1OCCO1 34a_100000087154_100011215416 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.25 CCC(C)OCC1OCCO1 7a_100000210228_100000755774 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.25 CCC(C)OC[C@H]1CCCN1 34a_100000745186_100011215416 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.25 CCC(C)SCC1CCCO1 62a_100000203698_100000758301 [0,1,0,0,0,0|1,1,1]=4 284 B11R1.25 CCC(C)SCC1CCCO1 62a_100000758301_100000203698 [0,1,0,0,0,0|1,1,1]=4 285 B11R1.25 CNC(=O)CCC1CCCC1 11a_106832991635_100000211120 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.25 CNC(=O)CCC1CCCC1 1626a_100102657272_100000211120 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.25 CNC(=O)CCC1CCCC1 240690a_100102657272_100000211120 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.25 CNC(=O)CCC1CCCC1 527a_100102657272_100000211120 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.25 CNC(=O)CCC1CCCO1 11a_106832991635_100011247709 [0,1,0,0,0,0|1,0,0]=2 290 B11R1.25 CNC(=O)CCC1CCCO1 1626a_100102657272_100011247709 [0,1,0,0,0,0|1,0,0]=2 291 B11R1.25 CNC(=O)CCC1CCCO1 240690a_100102657272_100011247709 [0,1,0,0,0,0|1,0,0]=2 292 B11R1.25 CNC(=O)CCC1CCCO1 527a_100102657272_100011247709 [0,1,0,0,0,0|1,0,0]=2 293 B11R1.25 CNC(=O)CCN1CCCC1 2230a_100000188435_100000737683 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.25 CNC(=O)CCN1CCCC1 240690a_100102657272_100000738983 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.25 CNC(=O)CCN1CCCC1 269982a_100000188435_100000737683 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.25 CNC(=O)CCN1CCCO1 240690a_100102657272_200015187630 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000211070_100000183359 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000693194_100000179811 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.25 CNC(=O)CNC1CCCC1 270004a_100000693194_100000210133 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.25 CNC(=O)CNC1CCCC1 34a_100000211070_100000183359 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.25 CNC(=O)COC1CCCC1 11a_106832991635_100000741352 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.25 CNC(=O)COC1CCCC1 1626a_100102657272_100000741352 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.25 CNC(=O)COC1CCCC1 240690a_100102657272_100000741352 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.25 CNC(=O)COC1CCCC1 34a_100000210269_100000183359 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.25 CNC(=O)COC1CCCC1 34a_100000750040_100000179811 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.25 CNC(=O)COC1CCCC1 527a_100102657272_100000741352 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.25 CNC(=O)COC1CCCC1 7a_100000210269_100000183359 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.25 CNC(=O)COC1CCCO1 34a_100000085407_100000183359 [0,1,0,0,0,0|2,0,0]=3 309 B11R1.25 CNC(=O)CSC1CCCC1 62a_100000183359_100000179811 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.25 CNC(=O)CSC1CCCC1 62a_100011217020_100000183359 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100000737975_106832991635 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100102657272_100000737975 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100000737975_100102657272 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100102657272_100000737975 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.25 CNC(=O)NCC1CCCC1 512a_100000737975_100102657272 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.25 CNC(=O)NCC1CCCC1 512a_106832991638_100000737975 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.25 CNC(=O)NCC1CCOC1 2708a_100000737293_106832991635 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.25 CNC(=O)NCC1CCOC1 2708a_100102657272_100000737293 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.25 CNC(=O)NCC1CCOC1 273464a_100000737293_100102657272 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.25 CNC(=O)NCC1CCOC1 273464a_100102657272_100000737293 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.25 CNC(=O)NCC1CCOC1 512a_100000737293_100102657272 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.25 CNC(=O)NCC1CCOC1 512a_106832991638_100000737293 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.25 CNC(=O)NCC1OCCO1 2708a_100000036311_106832991635 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.25 CNC(=O)NCC1OCCO1 2708a_100102657272_100000036311 [0,1,0,0,0,0|2,0,0]=3 325 B11R1.25 CNC(=O)NCC1OCCO1 273464a_100000036311_100102657272 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.25 CNC(=O)NCC1OCCO1 273464a_100102657272_100000036311 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.25 CNC(=O)NCC1OCCO1 512a_100000036311_100102657272 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_106832991635 [0,1,0,0,0,0|1,0,0]=2 329 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 2708a_100102657272_100020590478 [0,1,0,0,0,0|1,0,0]=2 330 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100102657272 [0,1,0,0,0,0|1,0,0]=2 331 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 273464a_100102657272_100020590478 [0,1,0,0,0,0|1,0,0]=2 332 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100102657272 [0,1,0,0,0,0|1,0,0]=2 333 B11R1.25 CNC(=O)NNC1CCCC1 273464a_100102657272_100000737850 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.25 CNC(=O)NNC1CCCC1 512a_106832991638_100000737850 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.25 COC(=O)CCN1CCCC1 2230a_100000188435_100000204255 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.25 COC(=O)CCN1CCCC1 269982a_100000188435_100000204255 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.25 COC(=O)CNC1CCCC1 2230a_100000211070_100000747449 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.25 COC(=O)CNC1CCCC1 34a_100000211070_100000747449 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.25 COC(=O)COC1CCCC1 34a_100000210269_100000747449 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.25 COC(=O)COC1CCCC1 7a_100000210269_100000747449 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.25 COC(=O)COC1CCCO1 34a_100000085407_100000747449 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.25 COC(=O)CSC1CCCC1 62a_100000747449_100000179811 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.25 COC(=O)CSC1CCCC1 62a_100011217020_100000747449 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.25 COC(C)SCC1CCCO1 62a_100000203698_100009879195 [0,1,0,0,0,0|0,1,2]=4 345 B11R1.25 COC(C)SCC1CCCO1 62a_100009879195_100000203698 [0,1,0,0,0,0|0,1,2]=4 346 B11R1.25 C[C@H](CO)NCC1CCCO1 2230a_100000737577_100000203698 [0,1,0,0,0,0|1,0,2]=4 347 B11R1.25 C[C@H](CO)SCC1CCCO1 62a_100000203698_100016084084 [0,1,0,0,0,0|0,1,2]=4 348 B11R1.25 C[C@H](CO)SCC1CCCO1 62a_100016084084_100000203698 [0,1,0,0,0,0|0,1,2]=4 349 B11R1.25 O=C(CF)CCC1CCCC1 1458a_100000211120_100015361967 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.25 O=C(CF)CCC1CCCO1 1458a_100011247709_100015361967 [0,1,0,0,0,0|1,0,0]=2 351 B11R1.25 O=C(CF)CCC1OCCO1 1458a_100000082924_100015361967 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.25 O=C(CF)CCN1CCCC1 1458a_100000738983_100015361967 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.25 O=C(CF)CCN1CCCO1 1458a_200015187630_100015361967 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.25 O=C(CF)COC1CCCC1 1458a_100000741352_100015361967 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.25 O=C(CO)CCC1OCCO1 1458a_100000210174_100000740749 [0,1,0,0,0,0|2,0,0]=3 357 B11R1.25 O=C(CO)CCN1CCCC1 1458a_100000210174_100000004467 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.25 O=C(CO)NCC1CCCC1 240690a_100000737975_100000210174 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.25 O=C(CO)NCC1CCCC1 527a_100000737975_100000210174 [0,1,0,0,0,0|2,0,0]=3 360 B11R1.25 O=C(CO)NCC1CCOC1 240690a_100000737293_100000210174 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.25 O=C(CO)NCC1CCOC1 527a_100000737293_100000210174 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.25 O=C(CO)NCC1OCCO1 527a_100000036311_100000210174 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 240690a_100020590478_100000210174 [0,1,0,0,0,0|1,0,0]=2 364 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 527a_100020590478_100000210174 [0,1,0,0,0,0|1,0,0]=2 365 B11R1.25 O=C(CO)NNC1CCCC1 22a_100000737850_100000210174 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.35 C=C(C)C(=O)CC1CCCC1 1458a_100000185857_100000740388 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.35 C=C(C)C(=O)CC1CCCO1 1458a_100000185857_100000203698 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.35 C=C(C)C(=O)CC1OCCO1 1458a_100000185857_100000755774 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.35 CC(=O)C(=O)CN1CCCC1 269982a_100000188435_100011261029 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.35 CC(=O)C(C)NC1CCCC1 2230a_100000211070_100009814033 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.35 CC(=O)C(C)OC1CCCC1 34a_100000212229_100000179811 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.35 CC(=O)C(C)OC1CCCC1 7a_100000210269_100000179758 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.35 CC(=O)C(C)SC1CCCC1 62a_100009814033_100000179811 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.35 CC(=O)C(C)SC1CCCC1 62a_100011217020_100009814033 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.35 CC(=O)N(C)CC1CCCO1 11a_100102946541_100015343762 [0,1,0,0,0,0|1,0,0]=2 376 B11R1.35 CC(=O)N(C)CC1CCCO1 1626a_100102946541_100015343762 [0,1,0,0,0,0|1,0,0]=2 377 B11R1.35 CC(=O)N(C)CC1CCCO1 240690a_100102946541_100015343762 [0,1,0,0,0,0|1,0,0]=2 378 B11R1.35 CC(=O)N(C)CC1CCCO1 527a_100102946541_100103153847 [0,1,0,0,0,0|1,0,0]=2 379 B11R1.35 CC(=O)N(C)CC1CCOC1 11a_100000684583_100015343762 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.35 CC(=O)N(C)CC1CCOC1 1626a_100000684583_100015343762 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.35 CC(=O)N(C)CC1CCOC1 240690a_100000684583_100015343762 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.35 CC(=O)N(C)CC1CCOC1 527a_100000684583_100103153847 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.35 CC(=O)N(C)CC1OCCO1 11a_200000032744_100015343762 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.35 CC(=O)N(C)CC1OCCO1 1626a_200000032744_100015343762 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.35 CC(=O)N(C)CC1OCCO1 527a_200000032744_100103153847 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.35 CC(C)C(=O)CC1CCCO1 1458a_100000210198_100000203698 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.35 CC(C)N(C)CC1CCCO1 2230a_100102946541_100000210206 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.35 CC(C)N(C)CC1CCCO1 269982a_100102946541_100000210206 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.35 CC(C)N(C)CC1CCCO1 269982a_200000211004_100000183445 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.35 CC(C)N(C)CC1CCCO1 34a_100102946541_100000210206 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.35 CC(F)C(=O)CC1CCCO1 1458a_100000062450_100000203698 [0,1,0,0,0,0|2,0,1]=4 392 B11R1.35 CC(OC1CCCO1)C(=O)N 34a_100000085407_100000702099 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.35 C[C@@H](O)C(=O)CC1CCCO1 1458a_100000717761_100000203698 [0,1,0,0,0,0|1,0,2]=4 394 B11R1.35 C[C@H](O)C(=O)CC1CCCO1 1458a_217856618621_100000203698 [0,1,0,0,0,0|1,0,2]=4 395 B11R1.35 NC(=O)C(F)OC1CCCO1 34a_100000085407_100009813875 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.35 O=C([O-])C(F)OC1CCCO1 34a_100000085407_100020610796 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.75 CC(=O)CCC1COS(=O)O1 1458a_100000070787_100009840081 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.75 CC(=O)CCN1CCC(C1)O 269982a_100011215560_100000053229 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.75 CC(=O)CCN1CC[C@@H](C1)F 269982a_100015203821_100000053229 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.75 CC(=O)CCN1CC[C@H](C1)C 269982a_100016987628_100000053229 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.75 CC(=O)NCC1CCN(C1)C 240690a_100000742581_100015343762 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.75 CC(=O)NCC1CCN(C1)C 527a_100000742581_100103153847 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100015343762 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100015343762 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100015343762 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100103153847 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.75 CC(=O)OCC1CCN(C1)C 2230a_100000118262_200000210301 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.75 CC(=O)OCC1CCN(C1)C 269982a_100000118262_200000210301 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.75 CC(=O)OCC1CCN(C1)[13CH3] 2230a_100000118262_200025704644 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.75 CC(=O)OCC1CCN(C1)[13CH3] 269982a_100000118262_200025704644 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.75 CC(=O)OCN1CCC(C1)O 269982a_100011215560_100000076356 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.75 CC(=O)OCN1CC[C@@H](C1)F 269982a_100015203821_100000076356 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.75 CC(=O)OCN1CC[C@@H](C1)F 34a_100015203821_100009813279 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.75 CC(=O)OCN1CC[C@H](C1)C 269982a_100016987628_100000076356 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.75 CC(=O)OCN1CC[C@H](C1)C 34a_100016987628_100009813279 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.75 CC(C)OC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210206 [0,1,0,0,0,0|2,0,1]=4 417 B11R1.77 C=C(C)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000748629 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.77 CC(=O)CC(C)N1CCCC1 1458a_100000070787_200015187269 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.77 CC(=O)CN(C)C1CCCC1 1458a_100073796569_200000210301 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.77 CC(=O)NC(C)C1CCCC1 11a_100015185923_100015343762 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.77 CC(=O)NC(C)C1CCCC1 1626a_100015185923_100015343762 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.77 CC(=O)NC(C)C1CCCC1 240690a_100015185923_100015343762 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.77 CC(=O)NC(C)C1CCCC1 527a_100015185923_100103153847 [0,1,0,0,0,0|2,0,0]=3 424 B11R1.77 CC(=O)NC(C)C1CCCO1 11a_100025754208_100015343762 [0,1,0,0,0,0|1,0,0]=2 425 B11R1.77 CC(=O)NC(C)C1CCCO1 1626a_100025754208_100015343762 [0,1,0,0,0,0|1,0,0]=2 426 B11R1.77 CC(=O)NC(C)C1CCCO1 240690a_100025754208_100015343762 [0,1,0,0,0,0|1,0,0]=2 427 B11R1.77 CC(=O)NC(C)C1CCCO1 527a_100025754208_100103153847 [0,1,0,0,0,0|1,0,0]=2 428 B11R1.77 CC(=O)OC(C)N1CCCC1 269982a_100000188435_100009818208 [0,1,0,0,0,0|2,0,0]=3 429 B11R1.77 CC(=O)OC(C)N1CCSC1 269982a_100011215254_100009818208 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.77 CC(C)NC(C)C1CCCO1 2230a_100025754208_100000210206 [0,1,0,0,0,0|2,0,1]=4 431 B11R1.77 CC(C)NC(C)C1CCCO1 34a_100025754208_100000210206 [0,1,0,0,0,0|2,0,1]=4 432 B11R1.77 CC(C)OC(C)C1CCCC1 34a_100011216366_100000210206 [0,1,0,0,0,0|2,0,1]=4 433 B11R1.77 CC(C)OC(C)C1CCCC1 7a_100011216366_100000210206 [0,1,0,0,0,0|2,0,1]=4 434 B11R1.77 CN(CC(=O)[13CH3])C1CCCC1 1458a_100073796569_200025704644 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.77 NC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000187820 [0,1,0,0,0,0|2,0,1]=4 436 B11R1.77 O=C([O-])CC(=O)[C@@H]1CCCO1 1458a_100000686382_100020667443 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000070787_100000742232 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000751031_200000210301 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.90 CC(=O)COC1CCCC1=O 34a_100000211253_100000709159 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100015343762 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100103153847 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.90 CC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000076356 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.90 CC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000076356 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.90 CC(=O)OCN1CCC[C@H]1C 34a_100015189458_100009813279 [0,1,0,0,0,0|2,0,0]=3 449 B11R1.90 CC(=O)OCN1CCSC1C 269982a_200011216479_100000076356 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.90 CC(=O)OCN1CCSC1C 34a_200011216479_100009813279 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.90 CC(C)OCC1CCCN1C 34a_100000743107_100000210206 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.90 [13CH3]C(=O)CCN1CCCC1=O 1458a_100000751031_200025704644 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.510 CC(C)(C)NCC1CCCO1 2230a_100000715429_100000203698 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.510 CC(C)(C)NC[C@@H]1CCCO1 34a_100020590478_100000210625 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.510 CC(C)(C)OCC1CCCC1 34a_100000742336_100000210625 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.510 CC(C)(C)OCC1CCCC1 34a_100015890283_100000740388 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.510 CC(C)(C)OCC1CCCC1 7a_100015890283_100000740388 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.510 CC(C)(C)OCC1CCCO1 34a_100000210270_100000210625 [0,1,0,0,0,0|1,0,1]=3 460 B11R1.510 CC(C)(C)OCC1CCCO1 7a_100015890283_100000203698 [0,1,0,0,0,0|1,0,1]=3 461 B11R1.510 CC(C)(C)OCC1COCO1 34a_100011216627_100000210625 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.510 CC(C)(C)OCC1OCCO1 34a_100000087154_100000210625 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.510 CC(C)(C)OCC1OCCO1 34a_100015890283_100000755774 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.510 CC(C)(C)OCC1OCCO1 7a_100015890283_100000755774 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.510 CC(C)(C)OC[C@H]1CCCN1 34a_100000745186_100000210625 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.510 CC(C)(C)SCC1CCCO1 62a_100000203698_100000211941 [0,1,0,0,0,0|1,1,1]=4 467 B11R1.510 CC(C)(C)SCC1CCCO1 62a_100000211941_100000203698 [0,1,0,0,0,0|1,1,1]=4 468 B11R1.510 CS(=O)(=O)NCC1CCCC1 40a_100000737975_100000738038 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.510 CS(=O)(=O)NCC1OCCO1 40a_100000036311_100000738038 [0,1,0,0,0,0|3,0,0]=4 470 B11R1.510 CS(=O)(=O)NC[C@@H]1CCCO1 40a_100020590478_100000738038 [0,1,0,0,0,0|2,0,0]=3 471 B11R1.510 FC(F)(F)OCC1CCCO1 34a_100000210270_200103152311 [0,1,0,0,0,0|2,0,1]=4 472 B11R1.510 FC(F)(F)OCC1CCCO1 7a_100000210270_200000243211 [0,1,0,0,0,0|2,0,1]=4 473 B11R1.713 CC(=O)CCC1(OCCO1)C 1458a_100000070787_100000758764 [0,1,0,0,0,0|2,0,0]=3 474 B11R1.713 CC(=O)NCC1(CCCC1)O 11a_100000737848_100015343762 [0,1,0,0,0,0|2,0,0]=3 475 B11R1.713 CC(=O)NCC1(CCCC1)O 1626a_100000737848_100015343762 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.713 CC(=O)NCC1(CCCC1)O 240690a_100000737848_100015343762 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.713 CC(=O)NCC1(CCCC1)O 527a_100000737848_100103153847 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.713 CC(=O)NCC1(OCCO1)C 11a_100000691740_100015343762 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.713 CC(=O)NCC1(OCCO1)C 1626a_100000691740_100015343762 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.713 CC(=O)NCC1(OCCO1)C 240690a_100000691740_100015343762 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.713 CC(=O)NCC1(OCCO1)C 527a_100000691740_100103153847 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.713 CC(C)OCC1(CCCC1)N 34a_100000749328_100000210206 [0,1,0,0,0,0|2,0,1]=4 483 B11R1.713 CC(C)OC[C@@]1(CCCN1)C 34a_100016195882_100000210206 [0,1,0,0,0,0|2,0,1]=4 484 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,0,1,0,0,0|2,0,1]=4 485 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,0,1,0,0,0|2,0,1]=4 486 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,0,1,0,0,0|2,0,1]=4 487 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [0,0,1,0,0,0|2,0,1]=4 488 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [0,0,1,0,0,0|2,0,1]=4 489 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [0,0,1,0,0,0|2,0,1]=4 490 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [0,0,1,0,0,0|2,0,1]=4 491 B9R0.2 C#CCCNCOC(=O)C 34a_100000755551_100009813279 [0,0,1,0,0,0|2,0,1]=4 492 B9R0.2 C#CCCOCOC(=O)C 34a_100011215631_100009813279 [0,0,1,0,0,0|2,0,1]=4 493 B9R0.2 C#CCCSCOC(=O)C 62a_100000076356_100000688953 [0,0,1,0,0,0|2,0,1]=4 494 B9R0.2 C#CCCSCOC(=O)C 62a_100000688953_100000076356 [0,0,1,0,0,0|2,0,1]=4 495 B9R0.2 C#CCNCCOC(=O)C 34a_100000212058_100009814007 [0,0,1,0,0,0|1,0,2]=4 496 B9R0.2 C#CCOCCCC(=O)C 34a_100000210247_100000685027 [0,0,1,0,0,0|1,0,2]=4 497 B9R0.2 C#CCOCCCC(=O)C 34a_100000759063_100000184674 [0,0,1,0,0,0|1,0,2]=4 498 B9R0.2 C#CCOCCCC(=O)C 7a_100000759063_100000038162 [0,0,1,0,0,0|1,0,2]=4 499 B9R0.2 C#CCOCCNC(=O)C 11a_100000700922_100015343762 [0,0,1,0,0,0|1,0,2]=4 500 B9R0.2 C#CCOCCNC(=O)C 1626a_100000700922_100015343762 [0,0,1,0,0,0|1,0,2]=4 501 B9R0.2 C#CCOCCNC(=O)C 240690a_100000700922_100015343762 [0,0,1,0,0,0|1,0,2]=4 502 B9R0.2 C#CCOCCNC(=O)C 34a_100000158858_100000184674 [0,0,1,0,0,0|1,0,2]=4 503 B9R0.2 C#CCOCCNC(=O)C 527a_100000700922_100103153847 [0,0,1,0,0,0|1,0,2]=4 504 B9R0.2 C#CCOCCOC(=O)C 34a_100000210247_100009814007 [0,0,1,0,0,0|0,0,2]=3 505 B9R0.2 C#CCOCCOC(=O)N 34a_100000210247_200011214921 [0,0,1,0,0,0|1,0,2]=4 506 B9R0.2 C#CCOCCOC(=O)N 7a_100000766696_100000038162 [0,0,1,0,0,0|1,0,2]=4 507 B9R0.2 C#CCSCCOC(=O)C 62a_100000038162_100009814007 [0,0,1,0,0,0|0,1,2]=4 508 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [0,0,1,0,0,0|3,0,0]=4 509 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,0,1,0,0,0|3,0,0]=4 510 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,0,1,0,0,0|3,0,0]=4 511 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [0,0,1,0,0,0|3,0,0]=4 512 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [0,0,1,0,0,0|3,0,0]=4 513 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,0,1,0,0,0|3,0,0]=4 514 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,0,1,0,0,0|3,0,0]=4 515 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,0,1,0,0,0|3,0,0]=4 516 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,0,1,0,0,0|2,0,1]=4 517 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,0,1,0,0,0|2,0,1]=4 518 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,0,1,0,0,0|2,0,1]=4 519 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,0,1,0,0,0|2,0,1]=4 520 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,0,1,0,0,0|2,0,1]=4 521 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,0,1,0,0,0|2,0,1]=4 522 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,0,1,0,0,0|2,0,1]=4 523 B9R0.2 C=CCCOCOC(=O)C 34a_100011205117_100009813279 [0,0,1,0,0,0|2,0,1]=4 524 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [0,0,1,0,0,0|2,0,1]=4 525 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [0,0,1,0,0,0|2,0,1]=4 526 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,0,1,0,0,0|1,0,2]=4 527 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,0,1,0,0,0|1,0,2]=4 528 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,0,1,0,0,0|1,0,2]=4 529 B9R0.2 C=CCOCCNC(=O)C 34a_100000158858_100015514636 [0,0,1,0,0,0|1,0,2]=4 530 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [0,0,1,0,0,0|0,0,2]=3 531 B9R0.2 C=CCOCCOC(=O)N 34a_200000210373_200011214921 [0,0,1,0,0,0|1,0,2]=4 532 B9R0.2 C=CCOCCOC(=O)N 7a_100000766696_100015514636 [0,0,1,0,0,0|1,0,2]=4 533 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [0,0,1,0,0,0|0,1,2]=4 534 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [0,0,1,0,0,0|0,1,2]=4 535 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [0,0,1,0,0,0|3,0,0]=4 536 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [0,0,1,0,0,0|3,0,0]=4 537 B9R0.2 CC(=CCCOCCBr)C 34a_100000211926_100011217483 [0,0,1,0,0,0|3,0,0]=4 538 B9R0.2 CC(=CCCOCCN)C 34a_100000210304_100011217483 [0,0,1,0,0,0|3,0,0]=4 539 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [0,0,1,0,0,0|3,0,0]=4 540 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [0,0,1,0,0,0|3,0,0]=4 541 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [0,0,1,0,0,0|3,0,0]=4 542 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [0,0,1,0,0,0|3,0,0]=4 543 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [0,0,1,0,0,0|3,0,0]=4 544 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [0,0,1,0,0,0|3,0,0]=4 545 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,0,1,0,0,0|2,0,1]=4 546 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,0,1,0,0,0|2,0,0]=3 547 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,0,1,0,0,0|1,0,0]=2 548 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,0,1,0,0,0|1,0,0]=2 549 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,0,1,0,0,0|3,0,0]=4 550 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,0,1,0,0,0|3,0,0]=4 551 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,0,1,0,0,0|3,0,0]=4 552 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,0,1,0,0,0|2,0,0]=3 553 B9R0.2 CC(=O)CCCOCC#N 7a_100000759063_100011215382 [0,0,1,0,0,0|2,0,1]=4 554 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,0,1,0,0,0|2,0,1]=4 555 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,0,1,0,0,0|2,0,1]=4 556 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,0,1,0,0,0|2,0,0]=3 557 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,0,1,0,0,0|2,0,0]=3 558 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,0,1,0,0,0|2,0,0]=3 559 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,0,1,0,0,0|2,0,0]=3 560 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,0,1,0,0,0|2,0,0]=3 561 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,0,1,0,0,0|2,0,0]=3 562 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,0,1,0,0,0|2,1,0]=4 563 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,0,1,0,0,0|2,1,0]=4 564 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,0,1,0,0,0|2,0,0]=3 565 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,0,1,0,0,0|2,0,0]=3 566 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,0,1,0,0,0|3,0,0]=4 567 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,0,1,0,0,0|3,0,0]=4 568 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,0,1,0,0,0|2,0,0]=3 569 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,0,1,0,0,0|2,0,0]=3 570 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,0,1,0,0,0|3,0,0]=4 571 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,0,1,0,0,0|3,0,0]=4 572 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,0,1,0,0,0|2,0,0]=3 573 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,0,1,0,0,0|2,0,0]=3 574 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,0,1,0,0,0|3,0,0]=4 575 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,0,1,0,0,0|2,0,0]=3 576 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [0,0,1,0,0,0|2,0,1]=4 577 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [0,0,1,0,0,0|2,0,1]=4 578 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [0,0,1,0,0,0|2,0,1]=4 579 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [0,0,1,0,0,0|2,0,1]=4 580 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,0,1,0,0,0|1,0,0]=2 581 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,0,1,0,0,0|3,0,0]=4 582 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,0,1,0,0,0|3,0,0]=4 583 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,0,1,0,0,0|3,0,0]=4 584 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,0,1,0,0,0|3,0,0]=4 585 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,0,1,0,0,0|3,0,0]=4 586 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,0,1,0,0,0|2,0,0]=3 587 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,0,1,0,0,0|2,0,0]=3 588 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [0,0,1,0,0,0|2,0,1]=4 589 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,0,1,0,0,0|2,0,0]=3 590 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,0,1,0,0,0|2,0,0]=3 591 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,0,1,0,0,0|2,0,0]=3 592 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,0,1,0,0,0|2,1,0]=4 593 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,0,1,0,0,0|2,1,0]=4 594 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,0,1,0,0,0|2,0,0]=3 595 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,0,1,0,0,0|2,0,0]=3 596 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,0,1,0,0,0|2,0,0]=3 597 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,0,1,0,0,0|2,0,0]=3 598 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,0,1,0,0,0|2,0,0]=3 599 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,0,1,0,0,0|2,0,0]=3 600 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,0,1,0,0,0|2,0,0]=3 601 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,0,1,0,0,0|2,0,0]=3 602 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,0,1,0,0,0|2,0,0]=3 603 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,0,1,0,0,0|2,0,0]=3 604 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,0,1,0,0,0|2,0,0]=3 605 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,0,1,0,0,0|1,0,0]=2 606 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,0,1,0,0,0|1,0,0]=2 607 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,0,1,0,0,0|1,0,0]=2 608 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [0,0,1,0,0,0|1,0,0]=2 609 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [0,0,1,0,0,0|1,0,0]=2 610 B9R0.2 CC(=O)OCCSCC#N 62a_100009814007_100011215382 [0,0,1,0,0,0|1,1,1]=4 611 B9R0.2 CC(=O)OCCSCC#N 62a_100011215382_100009814007 [0,0,1,0,0,0|1,1,1]=4 612 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [0,0,1,0,0,0|1,0,2]=4 613 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [0,0,1,0,0,0|1,0,2]=4 614 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,0,1,0,0,0|1,1,0]=3 615 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,0,1,0,0,0|1,1,0]=3 616 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,0,1,0,0,0|1,0,0]=2 617 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,0,1,0,0,0|1,0,0]=2 618 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,0,1,0,0,0|2,0,0]=3 619 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,0,1,0,0,0|2,0,0]=3 620 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,0,1,0,0,0|2,0,0]=3 621 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,0,1,0,0,0|2,0,0]=3 622 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,0,1,0,0,0|2,0,0]=3 623 B9R0.2 CC(=O)OCOCCON 34a_100000700252_100009813279 [0,0,1,0,0,0|3,0,0]=4 624 B9R0.2 CC(=O)OCSCCC#N 62a_100000076356_100011215226 [0,0,1,0,0,0|2,0,1]=4 625 B9R0.2 CC(=O)OCSCCC#N 62a_100011215226_100000076356 [0,0,1,0,0,0|2,0,1]=4 626 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,0,1,0,0,0|2,0,0]=3 627 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,0,1,0,0,0|2,0,0]=3 628 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,0,1,0,0,0|1,0,0]=2 629 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,0,1,0,0,0|1,0,0]=2 630 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,0,1,0,0,0|2,1,0]=4 631 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,0,1,0,0,0|2,1,0]=4 632 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [0,0,1,0,0,0|2,1,0]=4 633 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [0,0,1,0,0,0|2,1,0]=4 634 B9R0.2 CC(=S)OCCCSCF 62a_100015361967_200135323944 [0,0,1,0,0,0|2,1,0]=4 635 B9R0.2 CC(=S)OCCCSCF 62a_200135323944_100015361967 [0,0,1,0,0,0|2,1,0]=4 636 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [0,0,1,0,0,0|2,0,1]=4 637 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [0,0,1,0,0,0|2,0,1]=4 638 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [0,0,1,0,0,0|2,0,1]=4 639 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [0,0,1,0,0,0|2,0,1]=4 640 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [0,0,1,0,0,0|2,0,1]=4 641 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [0,0,1,0,0,0|2,0,1]=4 642 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [0,0,1,0,0,0|2,0,1]=4 643 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [0,0,1,0,0,0|2,0,1]=4 644 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [0,0,1,0,0,0|2,0,1]=4 645 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [0,0,1,0,0,0|2,0,1]=4 646 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [0,0,1,0,0,0|2,0,1]=4 647 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [0,0,1,0,0,0|2,0,1]=4 648 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [0,0,1,0,0,0|1,0,1]=3 649 B9R0.2 CC(C)OCCNCCO 2230a_100000701111_100000211926 [0,0,1,0,0,0|2,0,1]=4 650 B9R0.2 CC(C)OCCNCCO 2230a_100016997473_100000211751 [0,0,1,0,0,0|2,0,1]=4 651 B9R0.2 CC(C)OCCNCCO 34a_100000701111_100000211926 [0,0,1,0,0,0|2,0,1]=4 652 B9R0.2 CC(C)OCCNCCO 34a_100016990907_100000211751 [0,0,1,0,0,0|2,0,1]=4 653 B9R0.2 CC(C)OCCOCCBr 34a_100000211926_100000211751 [0,0,1,0,0,0|2,0,1]=4 654 B9R0.2 CC(C)OCCOCCBr 34a_100000692535_100000210206 [0,0,1,0,0,0|2,0,1]=4 655 B9R0.2 CC(C)OCCOCCBr 7a_100000692535_100000210206 [0,0,1,0,0,0|2,0,1]=4 656 B9R0.2 CC(C)OCCOCCCl 34a_100011215305_100000210206 [0,0,1,0,0,0|2,0,1]=4 657 B9R0.2 CC(C)OCCOCCCl 7a_100011215305_100000210206 [0,0,1,0,0,0|2,0,1]=4 658 B9R0.2 CC(C)OCCOCCF 34a_100000211219_100011217306 [0,0,1,0,0,0|2,0,1]=4 659 B9R0.2 CC(C)OCCOCCF 34a_200015357709_100000210206 [0,0,1,0,0,0|2,0,1]=4 660 B9R0.2 CC(C)OCCOCCF 7a_100000211219_100011217306 [0,0,1,0,0,0|2,0,1]=4 661 B9R0.2 CC(C)OCCOCCF 7a_200015357709_100000210206 [0,0,1,0,0,0|2,0,1]=4 662 B9R0.2 CC(C)OCCOCCI 34a_100012149058_100000210206 [0,0,1,0,0,0|2,0,1]=4 663 B9R0.2 CC(C)OCCOCCI 7a_100012149058_100000210206 [0,0,1,0,0,0|2,0,1]=4 664 B9R0.2 CC(C)OCCOCCN 34a_100000210304_100000211751 [0,0,1,0,0,0|2,0,1]=4 665 B9R0.2 CC(C)OCCOCCN 34a_100000211614_100000210206 [0,0,1,0,0,0|2,0,1]=4 666 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [0,0,1,0,0,0|2,0,1]=4 667 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [0,0,1,0,0,0|2,0,1]=4 668 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [0,0,1,0,0,0|2,0,1]=4 669 B9R0.2 CC(C)OCCSCCO 62a_100000211751_100000211926 [0,0,1,0,0,0|2,0,1]=4 670 B9R0.2 CC(C)OCCSCCO 62a_100000211926_100000211751 [0,0,1,0,0,0|2,0,1]=4 671 B9R0.2 CC(C)OCSCCCO 62a_100000709892_100011215043 [0,0,1,0,0,0|2,0,1]=4 672 B9R0.2 CC(C)OCSCCCO 62a_100011215043_100000709892 [0,0,1,0,0,0|2,0,1]=4 673 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [0,0,1,0,0,0|1,1,1]=4 674 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [0,0,1,0,0,0|1,1,1]=4 675 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,0,1,0,0,0|2,0,1]=4 676 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,0,1,0,0,0|2,0,1]=4 677 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,0,1,0,0,0|2,0,1]=4 678 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,0,1,0,0,0|2,0,1]=4 679 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,0,1,0,0,0|2,0,0]=3 680 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,0,1,0,0,0|2,0,0]=3 681 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,0,1,0,0,0|2,0,0]=3 682 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,0,1,0,0,0|2,0,0]=3 683 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,0,1,0,0,0|2,0,0]=3 684 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,0,1,0,0,0|2,0,0]=3 685 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,0,1,0,0,0|2,0,0]=3 686 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,0,1,0,0,0|2,0,1]=4 687 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,0,1,0,0,0|2,0,1]=4 688 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,0,1,0,0,0|2,0,1]=4 689 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,0,1,0,0,0|3,0,0]=4 690 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,0,1,0,0,0|3,0,0]=4 691 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,0,1,0,0,0|3,0,0]=4 692 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,0,1,0,0,0|3,0,0]=4 693 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,0,1,0,0,0|3,0,0]=4 694 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,0,1,0,0,0|3,0,0]=4 695 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,0,1,0,0,0|3,0,0]=4 696 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,0,1,0,0,0|2,0,0]=3 697 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,0,1,0,0,0|3,0,0]=4 698 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,0,1,0,0,0|3,0,0]=4 699 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,0,1,0,0,0|2,0,0]=3 700 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,0,1,0,0,0|2,0,0]=3 701 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,0,1,0,0,0|3,0,0]=4 702 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,0,1,0,0,0|3,0,0]=4 703 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,0,1,0,0,0|2,0,0]=3 704 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,0,1,0,0,0|3,0,0]=4 705 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [0,0,1,0,0,0|2,0,1]=4 706 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [0,0,1,0,0,0|2,0,1]=4 707 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,0,1,0,0,0|2,0,0]=3 708 B9R0.2 CCCOCCC=C(F)F 34a_100000210258_200009816681 [0,0,1,0,0,0|3,0,0]=4 709 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,0,1,0,0,0|1,0,0]=2 710 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,0,1,0,0,0|1,0,0]=2 711 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,0,1,0,0,0|1,0,0]=2 712 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,0,1,0,0,0|2,0,0]=3 713 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [0,0,1,0,0,0|2,0,1]=4 714 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [0,0,1,0,0,0|2,0,1]=4 715 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [0,0,1,0,0,0|2,0,1]=4 716 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,0,1,0,0,0|1,0,2]=4 717 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [0,0,1,0,0,0|3,0,0]=4 718 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,0,1,0,0,0|1,0,0]=2 719 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,0,1,0,0,0|1,0,0]=2 720 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,0,1,0,0,0|1,0,0]=2 721 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,0,1,0,0,0|1,0,0]=2 722 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,0,1,0,0,0|2,0,0]=3 723 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [0,0,1,0,0,0|2,0,1]=4 724 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [0,0,1,0,0,0|2,0,1]=4 725 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [0,0,1,0,0,0|2,0,1]=4 726 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [0,0,1,0,0,0|2,0,1]=4 727 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [0,0,1,0,0,0|2,0,1]=4 728 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,0,1,0,0,0|0,0,0]=1 729 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,0,1,0,0,0|1,0,0]=2 730 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,0,1,0,0,0|1,0,0]=2 731 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [0,0,1,0,0,0|1,0,1]=3 732 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [0,0,1,0,0,0|1,0,1]=3 733 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [0,0,1,0,0,0|1,0,1]=3 734 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [0,0,1,0,0,0|1,0,1]=3 735 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [0,0,1,0,0,0|1,0,1]=3 736 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [0,0,1,0,0,0|1,0,1]=3 737 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [0,0,1,0,0,0|1,1,1]=4 738 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [0,0,1,0,0,0|1,1,1]=4 739 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [0,0,1,0,0,0|1,1,1]=4 740 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [0,0,1,0,0,0|1,1,1]=4 741 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [0,0,1,0,0,0|1,1,1]=4 742 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,0,1,0,0,0|2,1,0]=4 743 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,0,1,0,0,0|2,1,0]=4 744 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,0,1,0,0,0|1,1,0]=3 745 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,0,1,0,0,0|1,1,0]=3 746 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,0,1,0,0,0|2,1,0]=4 747 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,0,1,0,0,0|2,1,0]=4 748 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,0,1,0,0,0|1,1,0]=3 749 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,0,1,0,0,0|1,1,0]=3 750 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,0,1,0,0,0|1,1,0]=3 751 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,0,1,0,0,0|1,1,0]=3 752 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,0,1,0,0,0|1,1,0]=3 753 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,0,1,0,0,0|2,1,0]=4 754 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,0,1,0,0,0|2,1,0]=4 755 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,0,1,0,0,0|0,1,0]=2 756 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,0,1,0,0,0|0,1,0]=2 757 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,0,1,0,0,0|1,1,0]=3 758 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,0,1,0,0,0|1,1,0]=3 759 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [0,0,1,0,0,0|1,1,1]=4 760 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [0,0,1,0,0,0|1,1,1]=4 761 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [0,0,1,0,0,0|1,1,1]=4 762 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [0,0,1,0,0,0|1,1,1]=4 763 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,0,1,0,0,0|3,0,0]=4 764 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,0,1,0,0,0|2,1,0]=4 765 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,0,1,0,0,0|2,1,0]=4 766 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,0,1,0,0,0|3,0,0]=4 767 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,0,1,0,0,0|3,0,0]=4 768 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,0,1,0,0,0|3,0,0]=4 769 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,0,1,0,0,0|3,0,0]=4 770 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,0,1,0,0,0|3,0,0]=4 771 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,0,1,0,0,0|3,0,0]=4 772 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,0,1,0,0,0|2,0,0]=3 773 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,0,1,0,0,0|2,1,0]=4 774 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,0,1,0,0,0|2,1,0]=4 775 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [0,0,1,0,0,0|3,0,0]=4 776 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [0,0,1,0,0,0|3,0,0]=4 777 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,0,1,0,0,0|3,0,0]=4 778 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,0,1,0,0,0|3,0,0]=4 779 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,0,1,0,0,0|2,0,0]=3 780 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,0,1,0,0,0|2,0,0]=3 781 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,0,1,0,0,0|2,1,0]=4 782 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,0,1,0,0,0|2,1,0]=4 783 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,0,1,0,0,0|2,1,0]=4 784 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,0,1,0,0,0|2,1,0]=4 785 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [0,0,1,0,0,0|3,0,0]=4 786 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [0,0,1,0,0,0|3,0,0]=4 787 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,0,1,0,0,0|3,0,0]=4 788 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,0,1,0,0,0|3,0,0]=4 789 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,0,1,0,0,0|2,0,0]=3 790 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,0,1,0,0,0|2,0,0]=3 791 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,0,1,0,0,0|2,1,0]=4 792 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,0,1,0,0,0|2,1,0]=4 793 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,0,1,0,0,0|2,1,0]=4 794 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,0,1,0,0,0|1,0,0]=2 795 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,0,1,0,0,0|3,0,0]=4 796 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,0,1,0,0,0|3,0,0]=4 797 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,0,1,0,0,0|2,0,0]=3 798 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,0,1,0,0,0|2,0,0]=3 799 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,0,1,0,0,0|2,0,0]=3 800 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,0,1,0,0,0|2,1,0]=4 801 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,0,1,0,0,0|3,0,0]=4 802 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,0,1,0,0,0|3,0,0]=4 803 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,0,1,0,0,0|3,0,0]=4 804 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,0,1,0,0,0|3,0,0]=4 805 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,0,1,0,0,0|1,0,0]=2 806 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,0,1,0,0,0|2,1,0]=4 807 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,0,1,0,0,0|2,1,0]=4 808 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [0,0,1,0,0,0|2,1,0]=4 809 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [0,0,1,0,0,0|2,1,0]=4 810 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,0,1,0,0,0|1,1,0]=3 811 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,0,1,0,0,0|1,1,0]=3 812 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [0,0,1,0,0,0|2,1,0]=4 813 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [0,0,1,0,0,0|2,1,0]=4 814 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [0,0,1,0,0,0|3,0,0]=4 815 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,0,1,0,0,0|2,0,0]=3 816 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,0,1,0,0,0|2,0,0]=3 817 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,0,1,0,0,0|2,1,0]=4 818 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,0,1,0,0,0|2,1,0]=4 819 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,0,1,0,0,0|3,0,0]=4 820 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [0,0,1,0,0,0|3,0,0]=4 821 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [0,0,1,0,0,0|3,0,0]=4 822 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [0,0,1,0,0,0|3,0,0]=4 823 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,0,1,0,0,0|2,0,0]=3 824 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [0,0,1,0,0,0|2,0,0]=3 825 B9R0.2 CSCOCCNC(=O)N 34a_100000181757_100011218213 [0,0,1,0,0,0|3,0,0]=4 826 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [0,0,1,0,0,0|1,0,0]=2 827 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [0,0,1,0,0,0|1,0,0]=2 828 B9R0.2 CSCOCCOC(C)C 34a_100000211219_100011218213 [0,0,1,0,0,0|2,0,1]=4 829 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,0,1,0,0,0|2,1,0]=4 830 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,0,1,0,0,0|2,1,0]=4 831 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [0,0,1,0,0,0|2,1,0]=4 832 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [0,0,1,0,0,0|2,1,0]=4 833 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [0,0,1,0,0,0|1,1,0]=3 834 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [0,0,1,0,0,0|1,1,0]=3 835 B9R0.2 CSCSCCOC(=O)N 62a_100011218213_200011214921 [0,0,1,0,0,0|2,1,0]=4 836 B9R0.2 CSCSCCOC(=O)N 62a_200011214921_100011218213 [0,0,1,0,0,0|2,1,0]=4 837 B9R0.2 N#CCOCCOC(=O)N 7a_100000766696_100011215382 [0,0,1,0,0,0|2,0,1]=4 838 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,0,1,0,0,0|3,0,0]=4 839 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,0,1,0,0,0|3,0,0]=4 840 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [0,0,1,0,0,0|3,0,0]=4 841 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,0,1,0,0,0|3,0,0]=4 842 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,0,1,0,0,0|3,0,0]=4 843 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,0,1,0,0,0|3,0,0]=4 844 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,0,1,0,0,0|3,0,0]=4 845 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,0,1,0,0,0|3,0,0]=4 846 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,0,1,0,0,0|3,0,0]=4 847 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,0,1,0,0,0|3,0,0]=4 848 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,0,1,0,0,0|3,0,0]=4 849 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,0,1,0,0,0|3,0,0]=4 850 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,0,1,0,0,0|3,0,0]=4 851 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,0,1,0,0,0|3,0,0]=4 852 B9R0.2 NC(=O)NCCNCCO 2230a_100016997473_200000034859 [0,0,1,0,0,0|3,0,0]=4 853 B9R0.2 NC(=O)NCCNCCO 34a_100020590234_100000211926 [0,0,1,0,0,0|3,0,0]=4 854 B9R0.2 NC(=O)NCCOCCF 34a_100000181757_100011217306 [0,0,1,0,0,0|3,0,0]=4 855 B9R0.2 NC(=O)NCCOCCO 34a_100000181757_100000211926 [0,0,1,0,0,0|3,0,0]=4 856 B9R0.2 NC(=O)NCCSCCO 62a_100000211926_200000034859 [0,0,1,0,0,0|3,0,0]=4 857 B9R0.2 NC(=O)NCCSCCO 62a_200000034859_100000211926 [0,0,1,0,0,0|3,0,0]=4 858 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [0,0,1,0,0,0|3,0,0]=4 859 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [0,0,1,0,0,0|2,0,0]=3 860 B9R0.2 NC(=O)OCCOCC=O 7a_100000766696_200015260668 [0,0,1,0,0,0|2,0,1]=4 861 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [0,0,1,0,0,0|2,0,0]=3 862 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [0,0,1,0,0,0|2,0,0]=3 863 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [0,0,1,0,0,0|2,0,0]=3 864 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [0,0,1,0,0,0|2,1,0]=4 865 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [0,0,1,0,0,0|2,1,0]=4 866 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [0,0,1,0,0,0|2,0,0]=3 867 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [0,0,1,0,0,0|2,0,0]=3 868 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [0,0,1,0,0,0|3,0,0]=4 869 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [0,0,1,0,0,0|2,0,0]=3 870 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,0,1,0,0,0|3,0,0]=4 871 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,0,1,0,0,0|3,0,0]=4 872 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,0,1,0,0,0|3,0,0]=4 873 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,0,1,0,0,0|3,0,0]=4 874 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,0,1,0,0,0|1,0,0]=2 875 B9R0.43 CC(=O)OCC(CCl)O[13CH3] 7a_200000139349_200025704644 [0,0,1,0,0,0|1,0,0]=2 876 B9R0.43 CCC(CC)CNC(=O)C 11a_100102946423_100015343762 [0,0,1,0,0,0|2,0,0]=3 877 B9R0.43 CCC(CC)CNC(=O)C 1626a_100102946423_100015343762 [0,0,1,0,0,0|2,0,0]=3 878 B9R0.43 CCC(CC)CNC(=O)C 240690a_100102946423_100015343762 [0,0,1,0,0,0|2,0,0]=3 879 B9R0.43 CCC(CC)CNC(=O)C 527a_100102946423_100103153847 [0,0,1,0,0,0|2,0,0]=3 880 B9R0.43 CCC(CC)COC(C)C 34a_100000212225_100011215472 [0,0,1,0,0,0|2,0,1]=4 881 B9R0.43 CCC(CC)COC(C)C 7a_100000703878_100000210206 [0,0,1,0,0,0|2,0,1]=4 882 B9R0.43 CCC(CC)NNC(=O)C 22a_100000756293_100000070787 [0,0,1,0,0,0|3,0,0]=4 883 B9R0.43 CCC(CC)OCC(=O)C 1458a_100012002705_200000210301 [0,0,1,0,0,0|3,0,0]=4 884 B9R0.43 CCC(CC)OCC(=O)[13CH3] 1458a_100012002705_200025704644 [0,0,1,0,0,0|3,0,0]=4 885 B9R0.43 CCC(CCC(C)C)OC 34a_100011216567_200000210301 [0,0,1,0,0,0|2,0,1]=4 886 B9R0.43 CCC(CCC(C)C)OC 7a_100011216567_200000210301 [0,0,1,0,0,0|2,0,1]=4 887 B9R0.43 CCC(CCC(C)C)O[13CH3] 34a_100011216567_200025704644 [0,0,1,0,0,0|2,0,1]=4 888 B9R0.43 CCC(CCC(C)C)O[13CH3] 7a_100011216567_200025704644 [0,0,1,0,0,0|2,0,1]=4 889 B9R0.43 CCC(CNC(=O)C)OC 11a_100000731041_100015343762 [0,0,1,0,0,0|1,0,0]=2 890 B9R0.43 CCC(CNC(=O)C)OC 1626a_100000731041_100015343762 [0,0,1,0,0,0|1,0,0]=2 891 B9R0.43 CCC(CNC(=O)C)OC 240690a_100000731041_100015343762 [0,0,1,0,0,0|1,0,0]=2 892 B9R0.43 CCC(CNC(=O)C)OC 527a_100000731041_100103153847 [0,0,1,0,0,0|1,0,0]=2 893 B9R0.43 CCC(COC(C)C)OC 34a_100011934954_100000210206 [0,0,1,0,0,0|1,0,1]=3 894 B9R0.43 CCC(COC(C)C)OC 7a_100011934954_100000210206 [0,0,1,0,0,0|1,0,1]=3 895 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000070787_100000700428 [0,0,1,0,0,0|3,0,0]=4 896 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000750416_200000210301 [0,0,1,0,0,0|3,0,0]=4 897 B9R0.43 CCN(CC)CCC(=O)C 269956a_100000042499_100000053229 [0,0,1,0,0,0|3,0,0]=4 898 B9R0.43 CCN(CC)CCC(=O)C 269982a_100000724800_100000053229 [0,0,1,0,0,0|3,0,0]=4 899 B9R0.43 CCN(CC)CCC(=O)[13CH3] 1458a_100000750416_200025704644 [0,0,1,0,0,0|3,0,0]=4 900 B9R0.43 CCN(CC)COC(=O)C 269956a_100000042499_100000076356 [0,0,1,0,0,0|2,0,0]=3 901 B9R0.43 CCN(CC)COC(=O)C 269982a_100000724800_100000076356 [0,0,1,0,0,0|2,0,0]=3 902 B9R0.43 COC(CCC(=O)C)OC 1458a_100000070787_100000139399 [0,0,1,0,0,0|2,0,0]=3 903 B9R0.43 COC(CCC(=O)C)OC 1458a_200000082759_200000210301 [0,0,1,0,0,0|2,0,0]=3 904 B9R0.43 COC(CCC(=O)[13CH3])OC 1458a_200000082759_200025704644 [0,0,1,0,0,0|2,0,0]=3 905 B9R0.43 COC(CCl)COC(=O)C 7a_200000139349_200000210301 [0,0,1,0,0,0|1,0,0]=2 906 B9R0.43 COC(CNC(=O)C)OC 11a_100000210479_100015343762 [0,0,1,0,0,0|2,0,0]=3 907 B9R0.43 COC(CNC(=O)C)OC 1626a_100000210479_100015343762 [0,0,1,0,0,0|2,0,0]=3 908 B9R0.43 COC(CNC(=O)C)OC 240690a_100000210479_100015343762 [0,0,1,0,0,0|2,0,0]=3 909 B9R0.43 COC(CNC(=O)C)OC 527a_100000210479_100103153847 [0,0,1,0,0,0|2,0,0]=3 910 B9R0.43 COC(COC(C)C)OC 34a_100000212225_100000211822 [0,0,1,0,0,0|2,0,1]=4 911 B9R0.43 COC(COC(C)C)OC 34a_100011216393_100000210206 [0,0,1,0,0,0|2,0,1]=4 912 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [0,0,1,0,0,0|3,0,0]=4 913 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,0,1,0,0,0|1,0,2]=4 914 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,0,1,0,0,0|1,0,2]=4 915 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,0,1,0,0,0|1,0,2]=4 916 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,0,1,0,0,0|1,0,2]=4 917 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [0,0,1,0,0,0|1,0,0]=2 918 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [0,0,1,0,0,0|1,0,0]=2 919 B9R0.48 CC(=O)OCN(C)CCO 269982a_100000210263_100000076356 [0,0,1,0,0,0|3,0,0]=4 920 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [0,0,1,0,0,0|2,1,0]=4 921 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [0,0,1,0,0,0|2,1,0]=4 922 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,0,1,0,0,0|1,0,2]=4 923 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,0,1,0,0,0|0,0,2]=3 924 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,0,1,0,0,0|0,1,2]=4 925 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,0,1,0,0,0|2,0,1]=4 926 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,0,1,0,0,0|2,0,1]=4 927 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,0,1,0,0,0|2,0,1]=4 928 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,0,1,0,0,0|3,0,0]=4 929 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,0,1,0,0,0|3,0,0]=4 930 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [0,0,1,0,0,0|2,0,0]=3 931 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [0,0,1,0,0,0|2,0,1]=4 932 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,0,1,0,0,0|1,0,2]=4 933 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,0,1,0,0,0|1,0,2]=4 934 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,0,1,0,0,0|1,0,0]=2 935 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,0,1,0,0,0|2,0,1]=4 936 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,0,1,0,0,0|2,0,1]=4 937 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,0,1,0,0,0|2,0,1]=4 938 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,0,1,0,0,0|2,0,1]=4 939 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,0,1,0,0,0|2,0,1]=4 940 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,0,1,0,0,0|2,0,1]=4 941 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,0,1,0,0,0|1,0,2]=4 942 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [0,0,1,0,0,0|2,1,0]=4 943 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [0,0,1,0,0,0|2,1,0]=4 944 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [0,0,1,0,0,0|2,1,0]=4 945 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [0,0,1,0,0,0|1,0,0]=2 946 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [0,0,1,0,0,0|1,0,0]=2 947 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,0,1,0,0,0|1,0,2]=4 948 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,0,1,0,0,0|2,1,0]=4 949 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,0,1,0,0,0|2,0,0]=3 950 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,0,1,0,0,0|2,0,0]=3 951 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,0,1,0,0,0|1,0,0]=2 952 B9R0.48 COCC(O)COC(C)C 34a_100000212225_100011215053 [0,0,1,0,0,0|2,0,1]=4 953 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,0,1,0,0,0|1,0,2]=4 954 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,0,1,0,0,0|1,0,2]=4 955 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [0,0,1,0,0,0|2,1,0]=4 956 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [0,0,1,0,0,0|2,1,0]=4 957 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [0,0,1,0,0,0|1,0,0]=2 958 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [0,0,1,0,0,0|1,0,0]=2 959 B11R2.11 O=C1CC(C1)N2CCCC2 269982a_100000188435_100009894365 [0,0,0,1,0,0|3,0,0]=4 960 B11R2.385 C1CCC(C1)COC2CC2 34a_100000742336_100000211595 [0,0,0,1,0,0|2,0,1]=4 961 B11R2.385 C1CN[C@H](C1)COC2CC2 34a_100000745186_100000211595 [0,0,0,1,0,0|2,0,1]=4 962 B11R2.385 C1COC(C1)COC2CC2 34a_100000210270_100000211595 [0,0,0,1,0,0|1,0,1]=3 963 B11R2.385 C1COC(C1)CSC2CC2 62a_100000203698_100000211595 [0,0,0,1,0,0|1,1,1]=4 964 B11R2.385 C1COC(O1)COC2CC2 34a_100000087154_100000211595 [0,0,0,1,0,0|2,0,1]=4 965 B11R2.385 C1CO[C@@H](C1)CNC2CC2 34a_100020590478_100000211595 [0,0,0,1,0,0|2,0,1]=4 966 B11R2.385 C1OCC(O1)COC2CC2 34a_100011216627_100000211595 [0,0,0,1,0,0|2,0,1]=4 967 B11R2.845 CC(=O)C1CC2C=CC1C2 1458a_100000211946_200000210301 [0,0,0,1,0,0|2,0,1]=4 968 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000070787_100000727232 [0,0,0,1,0,0|2,0,0]=3 969 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000181847_200000210301 [0,0,0,1,0,0|2,0,0]=3 970 B11R2.845 CC(=O)N1CC2C=CC1C2 11a_100000732668_100015343762 [0,0,0,1,0,0|2,0,1]=4 971 B11R2.845 CC(=O)N1CC2C=CC1C2 240690a_100000732668_100015343762 [0,0,0,1,0,0|2,0,1]=4 972 B11R2.845 CC(=O)N1CC2C=CC1C2 527a_100000732668_100103153847 [0,0,0,1,0,0|2,0,1]=4 973 B11R2.845 CC(=O)N1CC2CCC1C2 11a_100000743476_100015343762 [0,0,0,1,0,0|2,0,0]=3 974 B11R2.845 CC(=O)N1CC2CCC1C2 1626a_100000743476_100015343762 [0,0,0,1,0,0|2,0,0]=3 975 B11R2.845 CC(=O)N1CC2CCC1C2 240690a_100000743476_100015343762 [0,0,0,1,0,0|2,0,0]=3 976 B11R2.845 CC(=O)N1CC2CCC1C2 527a_100000743476_100103153847 [0,0,0,1,0,0|2,0,0]=3 977 B11R2.845 CC(=O)N1C[C@H]2C[C@@H]1CO2 11a_100016995552_100015343762 [0,0,0,1,0,0|1,0,0]=2 978 B11R2.845 CC(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100015343762 [0,0,0,1,0,0|1,0,0]=2 979 B11R2.845 CC(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100015343762 [0,0,0,1,0,0|1,0,0]=2 980 B11R2.845 CC(=O)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100103153847 [0,0,0,1,0,0|1,0,0]=2 981 B11R2.845 CC(C)N1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000210206 [0,0,0,1,0,0|2,0,1]=4 982 B11R2.845 CC(C)N1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000210206 [0,0,0,1,0,0|2,0,1]=4 983 B11R2.845 CC(C)N1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000210206 [0,0,0,1,0,0|2,0,1]=4 984 B11R2.845 [13CH3]C(=O)C1CC2C=CC1C2 1458a_100000211946_200025704644 [0,0,0,1,0,0|2,0,1]=4 985 B11R2.845 [13CH3]C(=O)C1CC2CCC1C2 1458a_100000181847_200025704644 [0,0,0,1,0,0|2,0,0]=3 986 B11R2.860 CC(=O)NC1C2C1COC2 11a_100000702821_100015343762 [0,0,0,1,0,0|3,0,0]=4 987 B11R2.860 CC(=O)NC1C2C1COC2 240690a_100000702821_100015343762 [0,0,0,1,0,0|3,0,0]=4 988 B11R2.860 CC(=O)NC1C2C1COC2 527a_100000702821_100103153847 [0,0,0,1,0,0|3,0,0]=4 989 B9R1.13 C=C(C)CN1CCCC1 2230a_100000188435_100000748629 [0,0,0,0,1,0|3,0,0]=4 990 B9R1.13 C=C(C)CN1CCCC1 269982a_100000188435_100000748629 [0,0,0,0,1,0|3,0,0]=4 991 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,0,0,0,1,0|1,0,2]=4 992 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,0,1,0|1,0,1]=3 993 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,0,0,0,1,0|1,0,1]=3 994 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [0,0,0,0,1,0|1,0,2]=4 995 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,0,1,0|1,0,0]=2 996 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,0,1,0|1,0,0]=2 997 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,0,1,0|0,0,0]=1 998 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,0,0,1,0|2,0,0]=3 999 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,0,0,1,0|2,0,0]=3 1000 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [0,0,0,0,1,0|1,0,0]=2 1001 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,0,1,0|2,0,0]=3 1002 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,0,1,0|2,0,0]=3 1003 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,0,1,0|2,0,0]=3 1004 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,0,1,0|2,0,0]=3 1005 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,0,1,0|2,0,0]=3 1006 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,0,0,0,1,0|3,0,0]=4 1007 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,0,0,0,1,0|3,0,0]=4 1008 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,0,0,0,1,0|3,0,0]=4 1009 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,0,0,0,1,0|3,0,0]=4 1010 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,0,0,0,1,0|3,0,0]=4 1011 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,0,0,0,1,0|3,0,0]=4 1012 B9R1.13 CC(C)OC1CCCC1 34a_100000210269_100000210206 [0,0,0,0,1,0|2,0,1]=4 1013 B9R1.13 CC(C)OC1CCCC1 34a_100000212225_100000179811 [0,0,0,0,1,0|2,0,1]=4 1014 B9R1.13 CC(C)OC1CCCC1 7a_100000210269_100000210206 [0,0,0,0,1,0|2,0,1]=4 1015 B9R1.13 CC(C)OC1CCCO1 34a_100000085407_100000210206 [0,0,0,0,1,0|1,0,1]=3 1016 B9R1.13 CN(C)CC1CCCC1 2230a_100102631434_100000740388 [0,0,0,0,1,0|3,0,0]=4 1017 B9R1.13 CN(C)CC1CCCC1 269982a_100102631434_100000740388 [0,0,0,0,1,0|3,0,0]=4 1018 B9R1.13 CN(C)CC1CCCO1 2230a_100102631434_100000203698 [0,0,0,0,1,0|2,0,0]=3 1019 B9R1.13 CN(C)CC1CCCO1 2230a_100102946541_200000210301 [0,0,0,0,1,0|2,0,0]=3 1020 B9R1.13 CN(C)CC1CCCO1 269982a_100102631434_100000183445 [0,0,0,0,1,0|2,0,0]=3 1021 B9R1.13 CN(C)CC1CCCO1 269982a_100102946541_200000210301 [0,0,0,0,1,0|2,0,0]=3 1022 B9R1.13 CN(C)CC1CCCO1 34a_100102946541_200000210301 [0,0,0,0,1,0|2,0,0]=3 1023 B9R1.13 CN(C)CC1OCCO1 2230a_100102631434_100000755774 [0,0,0,0,1,0|3,0,0]=4 1024 B9R1.13 CN(C)CC1OCCO1 2230a_200000032744_200000210301 [0,0,0,0,1,0|3,0,0]=4 1025 B9R1.13 CN(C)CC1OCCO1 269982a_100102631434_100000755774 [0,0,0,0,1,0|3,0,0]=4 1026 B9R1.13 CN(C)CC1OCCO1 269982a_200000032744_200000210301 [0,0,0,0,1,0|3,0,0]=4 1027 B9R1.13 CN(C)CC1OCCO1 34a_200000032744_200000210301 [0,0,0,0,1,0|3,0,0]=4 1028 B9R1.13 CN([13CH3])CC1CCCO1 2230a_100102946541_200025704644 [0,0,0,0,1,0|2,0,0]=3 1029 B9R1.13 CN([13CH3])CC1CCCO1 269982a_100102946541_200025704644 [0,0,0,0,1,0|2,0,0]=3 1030 B9R1.13 CN([13CH3])CC1CCCO1 34a_100102946541_200025704644 [0,0,0,0,1,0|2,0,0]=3 1031 B9R1.13 CN([13CH3])CC1OCCO1 2230a_200000032744_200025704644 [0,0,0,0,1,0|3,0,0]=4 1032 B9R1.13 CN([13CH3])CC1OCCO1 269982a_200000032744_200025704644 [0,0,0,0,1,0|3,0,0]=4 1033 B9R1.13 CN([13CH3])CC1OCCO1 34a_200000032744_200025704644 [0,0,0,0,1,0|3,0,0]=4 1034 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,0,0,0,1,0|3,0,0]=4 1035 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,0,0,0,1,0|3,0,0]=4 1036 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,0,0,0,1,0|3,0,0]=4 1037 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,0,0,0,1,0|1,0,2]=4 1038 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,0,1,0|1,0,1]=3 1039 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,0,0,0,1,0|1,0,1]=3 1040 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [0,0,0,0,1,0|1,0,2]=4 1041 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,0,1,0|1,0,0]=2 1042 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,0,0,1,0|2,0,0]=3 1043 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,0,1,0|2,0,0]=3 1044 B9R1.84 C=C(C)CCN1CCC1 269982a_100000754969_100000730704 [0,0,0,0,1,0|3,0,0]=4 1045 B9R1.84 C=C(C)CNC1CCC1 2230a_100000749019_100000748629 [0,0,0,0,1,0|3,0,0]=4 1046 B9R1.84 C=C(C)CNC1CCC1 34a_100000749019_100000748629 [0,0,0,0,1,0|3,0,0]=4 1047 B9R1.84 C=C(C)COC1CCC1 34a_100000210245_100000749161 [0,0,0,0,1,0|3,0,0]=4 1048 B9R1.84 C=C(C)COC1CCC1 34a_100000748187_100000748629 [0,0,0,0,1,0|3,0,0]=4 1049 B9R1.84 C=C(C)CSC1CCC1 62a_100000748629_100000749161 [0,0,0,0,1,0|3,0,0]=4 1050 B9R1.84 CC(=CCN1CCC1)C 269982a_100000754969_100000761012 [0,0,0,0,1,0|3,0,0]=4 1051 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,0,0,0,1,0|2,0,0]=3 1052 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,0,0,0,1,0|2,0,0]=3 1053 B9R1.84 CC(=O)COC1COC1 34a_100000211253_100009818527 [0,0,0,0,1,0|3,0,0]=4 1054 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,0,0,0,1,0|1,0,0]=2 1055 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,0,0,0,1,0|1,0,0]=2 1056 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,0,0,0,1,0|1,0,0]=2 1057 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,0,0,0,1,0|1,0,0]=2 1058 B9R1.84 CC(=O)NCC1COC1 11a_100015281925_100015343762 [0,0,0,0,1,0|2,0,0]=3 1059 B9R1.84 CC(=O)NCC1COC1 1626a_100015281925_100015343762 [0,0,0,0,1,0|2,0,0]=3 1060 B9R1.84 CC(=O)NCC1COC1 240690a_100015281925_100015343762 [0,0,0,0,1,0|2,0,0]=3 1061 B9R1.84 CC(=O)NCC1COC1 527a_100015281925_100103153847 [0,0,0,0,1,0|2,0,0]=3 1062 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [0,0,0,0,1,0|1,0,0]=2 1063 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [0,0,0,0,1,0|1,0,0]=2 1064 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [0,0,0,0,1,0|1,0,0]=2 1065 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [0,0,0,0,1,0|1,0,0]=2 1066 B9R1.84 CC(=O)NN=C1CCC1 4a_100000189765_100000241760 [0,0,0,0,1,0|2,0,1]=4 1067 B9R1.84 CC(=O)NNC1CCC1 22a_100000736358_100000070787 [0,0,0,0,1,0|2,0,0]=3 1068 B9R1.84 CC(=O)NNC1COC1 22a_100015188821_100000070787 [0,0,0,0,1,0|3,0,0]=4 1069 B9R1.84 CC(=O)OCN1CCC1 269982a_100000754969_100000076356 [0,0,0,0,1,0|1,0,0]=2 1070 B9R1.84 CC(C)NCC1CCC1 2230a_100000738700_100000210206 [0,0,0,0,1,0|2,0,1]=4 1071 B9R1.84 CC(C)NCC1CCC1 2230a_100138425928_100000763275 [0,0,0,0,1,0|2,0,1]=4 1072 B9R1.84 CC(C)NCC1CCC1 34a_100000738700_100000210206 [0,0,0,0,1,0|2,0,1]=4 1073 B9R1.84 CC(C)NCC1CCC1 34a_100138425928_100000763275 [0,0,0,0,1,0|2,0,1]=4 1074 B9R1.84 CC(C)NCC1CCO1 2230a_100138425928_100000103362 [0,0,0,0,1,0|2,0,1]=4 1075 B9R1.84 CC(C)NCC1CCO1 34a_100138425928_100000103362 [0,0,0,0,1,0|2,0,1]=4 1076 B9R1.84 CC(C)NC[C@@H]1CCO1 2230a_100020831831_100000210206 [0,0,0,0,1,0|2,0,1]=4 1077 B9R1.84 CC(C)NC[C@@H]1CCO1 34a_100020831831_100000210206 [0,0,0,0,1,0|2,0,1]=4 1078 B9R1.84 CC(C)OCC1CCC1 34a_100000212225_100000763275 [0,0,0,0,1,0|1,0,1]=3 1079 B9R1.84 CC(C)OCC1CCC1 34a_100000760304_100000210206 [0,0,0,0,1,0|1,0,1]=3 1080 B9R1.84 CC(C)OCC1CCO1 34a_100000039022_100000210206 [0,0,0,0,1,0|1,0,1]=3 1081 B9R1.84 CC(C)OCC1CCO1 34a_100000212225_100000103362 [0,0,0,0,1,0|1,0,1]=3 1082 B9R1.84 CC(C)OCC1CNC1 34a_100016987283_100000210206 [0,0,0,0,1,0|2,0,1]=4 1083 B9R1.84 CC(C)OCC1COC1 34a_100000060846_100000210206 [0,0,0,0,1,0|2,0,1]=4 1084 B9R1.84 CC(C)OCC1COC1 34a_100000212225_100010264016 [0,0,0,0,1,0|2,0,1]=4 1085 B9R1.84 CC(C)OCN1CCC1 269982a_100000754969_100000709892 [0,0,0,0,1,0|2,0,1]=4 1086 B9R1.84 CC(C)SCC1CCC1 62a_100000210206_100000763275 [0,0,0,0,1,0|1,1,1]=4 1087 B9R1.84 CC(C)SCC1CCC1 62a_100000763275_100000210206 [0,0,0,0,1,0|1,1,1]=4 1088 B9R1.84 CC(C)SCC1CCO1 62a_100000103362_100000210206 [0,0,0,0,1,0|1,1,1]=4 1089 B9R1.84 CC(C)SCC1CCO1 62a_100000210206_100000103362 [0,0,0,0,1,0|1,1,1]=4 1090 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [0,0,0,0,1,0|3,0,0]=4 1091 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [0,0,0,0,1,0|3,0,0]=4 1092 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [0,0,0,0,1,0|3,0,0]=4 1093 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [0,0,0,0,1,0|3,0,0]=4 1094 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [0,0,0,0,1,0|3,0,0]=4 1095 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,0,0,0,1,0|3,0,0]=4 1096 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [0,0,0,0,1,0|3,0,0]=4 1097 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [0,0,0,0,1,0|3,0,0]=4 1098 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [0,0,0,0,1,0|3,0,0]=4 1099 B11R1.91 C=C(C)CCN1CCCOC1 2230a_100000131196_100000730704 [0,0,0,0,0,1|3,0,0]=4 1100 B11R1.91 C=C(C)CCN1CCCOC1 269982a_100000131196_100000730704 [0,0,0,0,0,1|3,0,0]=4 1101 B11R1.91 C=C(C)CCN1CCCOC1 34a_100000131196_100000730704 [0,0,0,0,0,1|3,0,0]=4 1102 B11R1.91 C=C(C)CNC1CCCOC1 2230a_100000719290_100000748629 [0,0,0,0,0,1|3,0,0]=4 1103 B11R1.91 C=C(C)CNC1CCCOC1 34a_100000719290_100000748629 [0,0,0,0,0,1|3,0,0]=4 1104 B11R1.91 C=C(C)COC1CCCCO1 34a_100000033831_100000748629 [0,0,0,0,0,1|3,0,0]=4 1105 B11R1.91 C=C(C)COC1CCCOC1 34a_100000210245_100000693364 [0,0,0,0,0,1|3,0,0]=4 1106 B11R1.91 C=C(C)COC1CCCOC1 34a_100000754041_100000748629 [0,0,0,0,0,1|3,0,0]=4 1107 B11R1.91 C=C(C)CSC1CCCOC1 62a_100000748629_100000693364 [0,0,0,0,0,1|3,0,0]=4 1108 B11R1.91 CC(=CCN1CCCOC1)C 2230a_100000131196_100000761012 [0,0,0,0,0,1|3,0,0]=4 1109 B11R1.91 CC(=CCN1CCCOC1)C 269982a_100000131196_100000761012 [0,0,0,0,0,1|3,0,0]=4 1110 B11R1.91 CC(=CCN1CCCOC1)C 34a_100000131196_100000761012 [0,0,0,0,0,1|3,0,0]=4 1111 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [0,0,0,0,0,1|2,0,1]=4 1112 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,0,0,0,0,1|2,0,0]=3 1113 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,0,0,0,0,1|2,0,0]=3 1114 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [0,0,0,0,0,1|2,0,0]=3 1115 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [0,0,0,0,0,1|1,0,0]=2 1116 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [0,0,0,0,0,1|3,0,0]=4 1117 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [0,0,0,0,0,1|3,0,0]=4 1118 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [0,0,0,0,0,1|2,0,0]=3 1119 B11R1.91 CC(=O)CCN1CCCOC1 269982a_100000131196_100000053229 [0,0,0,0,0,1|2,0,0]=3 1120 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000070787_100000753993 [0,0,0,0,0,1|3,0,0]=4 1121 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000749337_200000210301 [0,0,0,0,0,1|3,0,0]=4 1122 B11R1.91 CC(=O)CCN1CCOCC1 269982a_100015191051_100000053229 [0,0,0,0,0,1|3,0,0]=4 1123 B11R1.91 CC(=O)CCN1CCSCC1 269982a_100000737611_100000053229 [0,0,0,0,0,1|3,0,0]=4 1124 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,0,0,0,0,1|3,0,0]=4 1125 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,0,0,0,0,1|3,0,0]=4 1126 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,0,0,0,0,1|3,0,0]=4 1127 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [0,0,0,0,0,1|2,0,0]=3 1128 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [0,0,0,0,0,1|3,0,0]=4 1129 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [0,0,0,0,0,1|2,0,0]=3 1130 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [0,0,0,0,0,1|2,0,0]=3 1131 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [0,0,0,0,0,1|2,0,0]=3 1132 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [0,0,0,0,0,1|2,0,0]=3 1133 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [0,0,0,0,0,1|1,0,0]=2 1134 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [0,0,0,0,0,1|1,0,0]=2 1135 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [0,0,0,0,0,1|1,0,0]=2 1136 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [0,0,0,0,0,1|1,0,0]=2 1137 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [0,0,0,0,0,1|1,0,0]=2 1138 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [0,0,0,0,0,1|1,0,0]=2 1139 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [0,0,0,0,0,1|1,0,0]=2 1140 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [0,0,0,0,0,1|1,0,0]=2 1141 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [0,0,0,0,0,1|2,0,0]=3 1142 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [0,0,0,0,0,1|2,0,0]=3 1143 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [0,0,0,0,0,1|2,0,0]=3 1144 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [0,0,0,0,0,1|2,0,0]=3 1145 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [0,0,0,0,0,1|2,0,0]=3 1146 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [0,0,0,0,0,1|2,0,0]=3 1147 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [0,0,0,0,0,1|2,0,0]=3 1148 B11R1.91 CC(=O)NC[C@H]1COCCO1 11a_100010981119_100015343762 [0,0,0,0,0,1|1,0,0]=2 1149 B11R1.91 CC(=O)NC[C@H]1COCCO1 1626a_100010981119_100015343762 [0,0,0,0,0,1|1,0,0]=2 1150 B11R1.91 CC(=O)NC[C@H]1COCCO1 240690a_100010981119_100015343762 [0,0,0,0,0,1|1,0,0]=2 1151 B11R1.91 CC(=O)NC[C@H]1COCCO1 527a_100010981119_100103153847 [0,0,0,0,0,1|1,0,0]=2 1152 B11R1.91 CC(=O)NN=C1CCCOC1 4a_100000189765_100000753404 [0,0,0,0,0,1|2,0,1]=4 1153 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [0,0,0,0,0,1|3,0,0]=4 1154 B11R1.91 CC(=O)NNC1CCOCC1 22a_100000687383_100000070787 [0,0,0,0,0,1|3,0,0]=4 1155 B11R1.91 CC(=O)OCN1CC=CCC1 269982a_100000698166_100000076356 [0,0,0,0,0,1|2,0,1]=4 1156 B11R1.91 CC(=O)OCN1CC=CCC1 34a_100000698166_100009813279 [0,0,0,0,0,1|2,0,1]=4 1157 B11R1.91 CC(=O)OCN1CCCOC1 269982a_100000131196_100000076356 [0,0,0,0,0,1|1,0,0]=2 1158 B11R1.91 CC(=O)OCN1CCCOC1 34a_100000131196_100009813279 [0,0,0,0,0,1|1,0,0]=2 1159 B11R1.91 CC(=O)OCN1CCOCC1 269982a_100015191051_100000076356 [0,0,0,0,0,1|2,0,0]=3 1160 B11R1.91 CC(=O)OCN1CCOCC1 34a_100015191051_100009813279 [0,0,0,0,0,1|2,0,0]=3 1161 B11R1.91 CC(=O)OCN1CCSCC1 269982a_100000737611_100000076356 [0,0,0,0,0,1|2,0,0]=3 1162 B11R1.91 CC(C)NCC1CCCCO1 2230a_100000174945_100000210206 [0,0,0,0,0,1|2,0,1]=4 1163 B11R1.91 CC(C)NCC1CCCCO1 2230a_100138425928_100000211543 [0,0,0,0,0,1|2,0,1]=4 1164 B11R1.91 CC(C)NCC1CCCCO1 34a_100000174945_100000210206 [0,0,0,0,0,1|2,0,1]=4 1165 B11R1.91 CC(C)NCC1CCCCO1 34a_100138425928_100000211543 [0,0,0,0,0,1|2,0,1]=4 1166 B11R1.91 CC(C)NCC1CCCOC1 2230a_100000720124_100000210206 [0,0,0,0,0,1|2,0,1]=4 1167 B11R1.91 CC(C)NCC1CCCOC1 2230a_100138425928_100000741521 [0,0,0,0,0,1|2,0,1]=4 1168 B11R1.91 CC(C)NCC1CCCOC1 34a_100000720124_100000210206 [0,0,0,0,0,1|2,0,1]=4 1169 B11R1.91 CC(C)NCC1CCCOC1 34a_100138425928_100000741521 [0,0,0,0,0,1|2,0,1]=4 1170 B11R1.91 CC(C)NC[C@H]1COCCO1 2230a_100010981119_100000210206 [0,0,0,0,0,1|2,0,1]=4 1171 B11R1.91 CC(C)NC[C@H]1COCCO1 34a_100010981119_100000210206 [0,0,0,0,0,1|2,0,1]=4 1172 B11R1.91 CC(C)OCC1CCC=CO1 34a_100011217868_100000210206 [0,0,0,0,0,1|1,0,2]=4 1173 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212181_100000210206 [0,0,0,0,0,1|2,0,1]=4 1174 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212225_100000211423 [0,0,0,0,0,1|2,0,1]=4 1175 B11R1.91 CC(C)OCC1CCCCC1 7a_100000212181_100000210206 [0,0,0,0,0,1|2,0,1]=4 1176 B11R1.91 CC(C)OCC1CCCCN1 34a_100000210821_100000210206 [0,0,0,0,0,1|2,0,1]=4 1177 B11R1.91 CC(C)OCC1CCCCO1 34a_100000211370_100000210206 [0,0,0,0,0,1|1,0,1]=3 1178 B11R1.91 CC(C)OCC1CCCCO1 34a_100000212225_100000211543 [0,0,0,0,0,1|1,0,1]=3 1179 B11R1.91 CC(C)OCC1CCCCO1 7a_100000211370_100000210206 [0,0,0,0,0,1|1,0,1]=3 1180 B11R1.91 CC(C)OCC1CCCNC1 34a_100000211344_100000210206 [0,0,0,0,0,1|2,0,1]=4 1181 B11R1.91 CC(C)OCC1CCCOC1 34a_100000212225_100000741521 [0,0,0,0,0,1|1,0,1]=3 1182 B11R1.91 CC(C)OCC1CCCOC1 34a_100000741520_100000210206 [0,0,0,0,0,1|1,0,1]=3 1183 B11R1.91 CC(C)OCC1CCNCC1 34a_100000738675_100000210206 [0,0,0,0,0,1|2,0,1]=4 1184 B11R1.91 CC(C)OCC1CCOCC1 34a_100000212225_100000754603 [0,0,0,0,0,1|2,0,1]=4 1185 B11R1.91 CC(C)OCC1CCOCC1 34a_100000749013_100000210206 [0,0,0,0,0,1|2,0,1]=4 1186 B11R1.91 CC(C)OCC1CCSCC1 34a_100000070558_100000210206 [0,0,0,0,0,1|2,0,1]=4 1187 B11R1.91 CC(C)OCC1CCSCC1 7a_100000070558_100000210206 [0,0,0,0,0,1|2,0,1]=4 1188 B11R1.91 CC(C)OCN1CCCOC1 2230a_100000131196_100000709892 [0,0,0,0,0,1|2,0,1]=4 1189 B11R1.91 CC(C)OCN1CCCOC1 269982a_100000131196_100000709892 [0,0,0,0,0,1|2,0,1]=4 1190 B11R1.91 CC(C)OCN1CCCOC1 34a_100000131196_100000709892 [0,0,0,0,0,1|2,0,1]=4 1191 B11R1.91 CC(C)OC[C@@H]1CNCCO1 34a_100015189573_100000210206 [0,0,0,0,0,1|1,0,1]=3 1192 B11R1.91 CC(C)OC[C@@H]1COCCN1 34a_100000717676_100000210206 [0,0,0,0,0,1|2,0,1]=4 1193 B11R1.91 CC(C)OC[C@H]1COCCO1 34a_100009875890_100000210206 [0,0,0,0,0,1|1,0,1]=3 1194 B11R1.91 CC(C)SCC1CCCCO1 62a_100000210206_100000211543 [0,0,0,0,0,1|1,1,1]=4 1195 B11R1.91 CC(C)SCC1CCCCO1 62a_100000211543_100000210206 [0,0,0,0,0,1|1,1,1]=4 1196 B11R1.91 CC(C)SCC1CCCOC1 62a_100000210206_100000741521 [0,0,0,0,0,1|1,1,1]=4 1197 B11R1.91 CC(C)SCC1CCCOC1 62a_100000741521_100000210206 [0,0,0,0,0,1|1,1,1]=4 1198 B11R1.91 CN(C)CCC1CCCCO1 2230a_100015183322_200000210301 [0,0,0,0,0,1|3,0,0]=4 1199 B11R1.91 CN(C)CCC1CCCCO1 269982a_100015183322_200000210301 [0,0,0,0,0,1|3,0,0]=4 1200 B11R1.91 CN(C)CCC1CCCCO1 34a_100015183322_200000210301 [0,0,0,0,0,1|3,0,0]=4 1201 B11R1.91 CN(C)CCC1OCCCO1 2230a_100102631434_100000764188 [0,0,0,0,0,1|3,0,0]=4 1202 B11R1.91 CN(C)CCC1OCCCO1 269982a_100102631434_100000764188 [0,0,0,0,0,1|3,0,0]=4 1203 B11R1.91 CN([13CH3])CCC1CCCCO1 2230a_100015183322_200025704644 [0,0,0,0,0,1|3,0,0]=4 1204 B11R1.91 CN([13CH3])CCC1CCCCO1 269982a_100015183322_200025704644 [0,0,0,0,0,1|3,0,0]=4 1205 B11R1.91 CN([13CH3])CCC1CCCCO1 34a_100015183322_200025704644 [0,0,0,0,0,1|3,0,0]=4 1206 B11R1.91 NC(=O)CCN1CCCOC1 2230a_100000131196_100000744528 [0,0,0,0,0,1|3,0,0]=4 1207 B11R1.91 NC(=O)CCN1CCCOC1 269982a_100000131196_100000744528 [0,0,0,0,0,1|3,0,0]=4 1208 B11R1.91 NC(=O)CCN1CCCOC1 34a_100000131196_100000731001 [0,0,0,0,0,1|3,0,0]=4 1209 B11R1.91 NC(=O)CNC1CCCOC1 2230a_100000719290_100000747473 [0,0,0,0,0,1|3,0,0]=4 1210 B11R1.91 NC(=O)CNC1CCCOC1 34a_100000719290_100000187820 [0,0,0,0,0,1|3,0,0]=4 1211 B11R1.91 NC(=O)COC1CCCCO1 34a_100000033831_100000187820 [0,0,0,0,0,1|3,0,0]=4 1212 B11R1.91 NC(=O)COC1CCCOC1 34a_100000754041_100000187820 [0,0,0,0,0,1|3,0,0]=4 1213 B11R1.91 NC(=O)CSC1CCCOC1 62a_100000747473_100000693364 [0,0,0,0,0,1|3,0,0]=4 1214 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [0,0,0,0,0,1|3,0,0]=4 1215 B11R1.91 O=C([O-])CNC1CCCOC1 34a_100000719290_100020667443 [0,0,0,0,0,1|3,0,0]=4 1216 B11R1.91 O=C([O-])COC1CCCCO1 34a_100000033831_100020667443 [0,0,0,0,0,1|3,0,0]=4 1217 B11R1.91 O=C([O-])COC1CCCOC1 34a_100000754041_100020667443 [0,0,0,0,0,1|3,0,0]=4 1218 B11R1.91 O=C([O-])CSC1CCCOC1 62a_100020667443_100000693364 [0,0,0,0,0,1|3,0,0]=4 1219 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [0,0,0,0,0,1|2,0,1]=4 1220 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,0,0,0,0,1|2,0,0]=3 1221 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [0,0,0,0,0,1|3,0,0]=4 1222 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [0,0,0,0,0,1|2,0,0]=3 1223 B11R1.91 [13CH3]C(=O)CCN1CCOCC1 1458a_100000749337_200025704644 [0,0,0,0,0,1|3,0,0]=4 1224 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,0,0,0,0,1|3,0,0]=4 1225 B11R1.172 C=C(C)CCNC1CCCC1 2230a_100000211070_100000730704 [0,0,0,0,0,1|3,0,0]=4 1226 B11R1.172 C=C(C)CCNC1CCCC1 34a_100000211070_100000730704 [0,0,0,0,0,1|3,0,0]=4 1227 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000210269_100000730704 [0,0,0,0,0,1|3,0,0]=4 1228 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000764851_100000179811 [0,0,0,0,0,1|3,0,0]=4 1229 B11R1.172 C=C(C)CCOC1CCCC1 7a_100000210269_100000730704 [0,0,0,0,0,1|3,0,0]=4 1230 B11R1.172 C=C(C)CCOC1CCCO1 34a_100000085407_100000730704 [0,0,0,0,0,1|2,0,0]=3 1231 B11R1.172 C=C(C)CCSC1CCCC1 62a_100000730704_100000179811 [0,0,0,0,0,1|3,0,0]=4 1232 B11R1.172 C=C(C)CCSC1CCCC1 62a_100011217020_100000730704 [0,0,0,0,0,1|3,0,0]=4 1233 B11R1.172 C=C(C)CNCC1CCCC1 2230a_100000737975_100000748629 [0,0,0,0,0,1|3,0,0]=4 1234 B11R1.172 C=C(C)CNCC1CCCC1 34a_100000737975_100000748629 [0,0,0,0,0,1|3,0,0]=4 1235 B11R1.172 C=C(C)CNCC1OCCO1 2230a_100000036311_100000748629 [0,0,0,0,0,1|3,0,0]=4 1236 B11R1.172 C=C(C)CNCC1OCCO1 34a_100000036311_100000748629 [0,0,0,0,0,1|3,0,0]=4 1237 B11R1.172 C=C(C)CNC[C@@H]1CCCO1 2230a_100020590478_100000748629 [0,0,0,0,0,1|2,0,0]=3 1238 B11R1.172 C=C(C)CNC[C@@H]1CCCO1 34a_100020590478_100000748629 [0,0,0,0,0,1|2,0,0]=3 1239 B11R1.172 C=C(C)COCC1CCCC1 34a_100000210245_100000740388 [0,0,0,0,0,1|2,0,0]=3 1240 B11R1.172 C=C(C)COCC1CCCC1 34a_100000742336_100000748629 [0,0,0,0,0,1|2,0,0]=3 1241 B11R1.172 C=C(C)COCC1CCCC1 7a_100000742336_100000748629 [0,0,0,0,0,1|2,0,0]=3 1242 B11R1.172 C=C(C)COCC1CCCO1 34a_100000210270_100000748629 [0,0,0,0,0,1|1,0,0]=2 1243 B11R1.172 C=C(C)COCC1CCCO1 7a_100000210270_100000748629 [0,0,0,0,0,1|1,0,0]=2 1244 B11R1.172 C=C(C)COCC1CCNC1 34a_100000748654_100000748629 [0,0,0,0,0,1|3,0,0]=4 1245 B11R1.172 C=C(C)COCC1CCOC1 34a_100000210245_100011261433 [0,0,0,0,0,1|3,0,0]=4 1246 B11R1.172 C=C(C)COCC1CCOC1 34a_100000740260_100000748629 [0,0,0,0,0,1|3,0,0]=4 1247 B11R1.172 C=C(C)COCC1COCO1 34a_100011216627_100000748629 [0,0,0,0,0,1|2,0,0]=3 1248 B11R1.172 C=C(C)COCC1OCCO1 34a_100000087154_100000748629 [0,0,0,0,0,1|2,0,0]=3 1249 B11R1.172 C=C(C)COCC1OCCO1 34a_100000210245_100000755774 [0,0,0,0,0,1|2,0,0]=3 1250 B11R1.172 C=C(C)COC[C@H]1CCCN1 34a_100000745186_100000748629 [0,0,0,0,0,1|2,0,0]=3 1251 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000740388_100000211660 [0,0,0,0,0,1|2,1,0]=4 1252 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000748629_100000740388 [0,0,0,0,0,1|2,1,0]=4 1253 B11R1.172 C=C(C)CSCC1CCCO1 62a_100000203698_100000211660 [0,0,0,0,0,1|1,1,0]=3 1254 B11R1.172 C=C(C)CSCC1CCCO1 62a_100000748629_100000203698 [0,0,0,0,0,1|1,1,0]=3 1255 B11R1.172 C=C(C)CSCC1OCCO1 62a_100000748629_100000755774 [0,0,0,0,0,1|2,1,0]=4 1256 B11R1.172 C=C(C)CSCC1OCCO1 62a_100000755774_100000211660 [0,0,0,0,0,1|2,1,0]=4 1257 B11R1.172 C=C(F)CNC[C@@H]1CCCO1 2230a_100020590478_100009893438 [0,0,0,0,0,1|2,0,1]=4 1258 B11R1.172 C=C(F)CNC[C@@H]1CCCO1 34a_100020590478_100009893438 [0,0,0,0,0,1|2,0,1]=4 1259 B11R1.172 C=C(F)COCC1CCCC1 34a_100000742336_100009893438 [0,0,0,0,0,1|2,0,1]=4 1260 B11R1.172 C=C(F)COCC1CCCC1 34a_200010262243_100000740388 [0,0,0,0,0,1|2,0,1]=4 1261 B11R1.172 C=C(F)COCC1CCCC1 7a_100000742336_100000042424 [0,0,0,0,0,1|2,0,1]=4 1262 B11R1.172 C=C(F)COCC1CCCO1 34a_100000210270_100009893438 [0,0,0,0,0,1|1,0,1]=3 1263 B11R1.172 C=C(F)COCC1CCCO1 7a_100000210270_100000042424 [0,0,0,0,0,1|1,0,1]=3 1264 B11R1.172 C=C(F)COCC1COCO1 34a_100011216627_100009893438 [0,0,0,0,0,1|2,0,1]=4 1265 B11R1.172 C=C(F)COCC1OCCO1 34a_100000087154_100009893438 [0,0,0,0,0,1|2,0,1]=4 1266 B11R1.172 C=C(F)COCC1OCCO1 34a_200010262243_100000755774 [0,0,0,0,0,1|2,0,1]=4 1267 B11R1.172 C=C(F)COC[C@H]1CCCN1 34a_100000745186_100009893438 [0,0,0,0,0,1|2,0,1]=4 1268 B11R1.172 C=C(F)CSCC1CCCO1 62a_100000042424_100000203698 [0,0,0,0,0,1|1,1,1]=4 1269 B11R1.172 C=C(F)CSCC1CCCO1 62a_100000203698_100000042424 [0,0,0,0,0,1|1,1,1]=4 1270 B11R1.172 CC(=CCNC1CCCC1)C 2230a_100000211070_100000761012 [0,0,0,0,0,1|3,0,0]=4 1271 B11R1.172 CC(=CCNC1CCCC1)C 270004a_100000718196_100000210133 [0,0,0,0,0,1|3,0,0]=4 1272 B11R1.172 CC(=CCNC1CCCC1)C 34a_100000211070_100000761012 [0,0,0,0,0,1|3,0,0]=4 1273 B11R1.172 CC(=CCNC1CCCC1)C 34a_100000718196_100000179811 [0,0,0,0,0,1|3,0,0]=4 1274 B11R1.172 CC(=CCOC1CCCC1)C 34a_100000210269_100000761012 [0,0,0,0,0,1|3,0,0]=4 1275 B11R1.172 CC(=CCOC1CCCC1)C 34a_100000753907_100000179811 [0,0,0,0,0,1|3,0,0]=4 1276 B11R1.172 CC(=CCOC1CCCC1)C 7a_100000210269_100000761012 [0,0,0,0,0,1|3,0,0]=4 1277 B11R1.172 CC(=CCOC1CCCO1)C 34a_100000085407_100000761012 [0,0,0,0,0,1|2,0,0]=3 1278 B11R1.172 CC(=CCSC1CCCC1)C 62a_100000761012_100000179811 [0,0,0,0,0,1|3,0,0]=4 1279 B11R1.172 CC(=CCSC1CCCC1)C 62a_100011217020_100000761012 [0,0,0,0,0,1|3,0,0]=4 1280 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,0,0,0,0,1|2,0,0]=3 1281 B11R1.172 CC(=O)CCCC1OCCO1 1458a_100000070787_100000042513 [0,0,0,0,0,1|2,0,0]=3 1282 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [0,0,0,0,0,1|3,0,0]=4 1283 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [0,0,0,0,0,1|3,0,0]=4 1284 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [0,0,0,0,0,1|3,0,0]=4 1285 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [0,0,0,0,0,1|2,0,0]=3 1286 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [0,0,0,0,0,1|2,0,0]=3 1287 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [0,0,0,0,0,1|2,0,0]=3 1288 B11R1.172 CC(=O)CCOC1CCOC1 34a_100000759926_100000690089 [0,0,0,0,0,1|3,0,0]=4 1289 B11R1.172 CC(=O)CCOC1CCOC1 7a_100000759926_100000731011 [0,0,0,0,0,1|3,0,0]=4 1290 B11R1.172 CC(=O)CCOC1CCSC1 7a_100011232664_100000053229 [0,0,0,0,0,1|3,0,0]=4 1291 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [0,0,0,0,0,1|2,0,0]=3 1292 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [0,0,0,0,0,1|2,0,0]=3 1293 B11R1.172 CC(=O)CCSC1CCOC1 62a_100000053229_100000690089 [0,0,0,0,0,1|3,0,0]=4 1294 B11R1.172 CC(=O)COCC1=NCCN1 34a_100000211253_100000737910 [0,0,0,0,0,1|2,0,1]=4 1295 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [0,0,0,0,0,1|1,0,0]=2 1296 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [0,0,0,0,0,1|0,0,0]=1 1297 B11R1.172 CC(=O)COCC1CCOC1 34a_100000211253_100011261433 [0,0,0,0,0,1|2,0,0]=3 1298 B11R1.172 CC(=O)COCC1OCCO1 34a_100000211253_100000755774 [0,0,0,0,0,1|1,0,0]=2 1299 B11R1.172 CC(=O)CSCC1CCCO1 1458a_100000217298_200000210301 [0,0,0,0,0,1|0,1,0]=2 1300 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [0,0,0,0,0,1|2,0,0]=3 1301 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [0,0,0,0,0,1|2,0,0]=3 1302 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [0,0,0,0,0,1|2,0,0]=3 1303 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [0,0,0,0,0,1|2,0,0]=3 1304 B11R1.172 CC(=O)NCCC1OCCO1 11a_100000034215_100015343762 [0,0,0,0,0,1|2,0,0]=3 1305 B11R1.172 CC(=O)NCCC1OCCO1 1626a_100000034215_100015343762 [0,0,0,0,0,1|2,0,0]=3 1306 B11R1.172 CC(=O)NCCC1OCCO1 240690a_100000034215_100015343762 [0,0,0,0,0,1|2,0,0]=3 1307 B11R1.172 CC(=O)NCCC1OCCO1 527a_100000034215_100103153847 [0,0,0,0,0,1|2,0,0]=3 1308 B11R1.172 CC(=O)NCCN1CCCC1 2230a_100000188435_100000189650 [0,0,0,0,0,1|3,0,0]=4 1309 B11R1.172 CC(=O)NCCN1CCCC1 240690a_100000212299_100015343762 [0,0,0,0,0,1|3,0,0]=4 1310 B11R1.172 CC(=O)NCCN1CCCC1 269982a_100000188435_100000189650 [0,0,0,0,0,1|3,0,0]=4 1311 B11R1.172 CC(=O)NN=CC1CCCC1 4a_100000189765_100000746403 [0,0,0,0,0,1|2,0,1]=4 1312 B11R1.172 CC(=O)OCCN1CCCC1 269982a_100000188435_100009814007 [0,0,0,0,0,1|2,0,0]=3 1313 B11R1.172 CC(=O)OCCN1CCSC1 269982a_100011215254_100009814007 [0,0,0,0,0,1|3,0,0]=4 1314 B11R1.172 CC(=O)OCNC1CCCC1 34a_100000211070_100009813279 [0,0,0,0,0,1|1,0,0]=2 1315 B11R1.172 CC(=O)OCN[C@H]1CCOC1 34a_100015188467_100009813279 [0,0,0,0,0,1|2,0,0]=3 1316 B11R1.172 CC(=O)OCOC1CCCC1 34a_100000210269_100009813279 [0,0,0,0,0,1|1,0,0]=2 1317 B11R1.172 CC(=O)OCOC1CCCO1 34a_100000085407_100009813279 [0,0,0,0,0,1|0,0,0]=1 1318 B11R1.172 CC(=O)OCO[C@H]1CCOC1 34a_100000717292_100009813279 [0,0,0,0,0,1|2,0,0]=3 1319 B11R1.172 CC(=O)OCSC1CCCC1 62a_100000076356_100000179811 [0,0,0,0,0,1|1,0,0]=2 1320 B11R1.172 CC(=O)OCSC1CCCC1 62a_100011217020_100000076356 [0,0,0,0,0,1|1,0,0]=2 1321 B11R1.172 CC(=O)OCSC1CCOC1 62a_100000076356_100000690089 [0,0,0,0,0,1|2,0,0]=3 1322 B11R1.172 CC(Br)COCC1CCCC1 34a_100012180447_100000740388 [0,0,0,0,0,1|2,0,1]=4 1323 B11R1.172 CC(Br)COCC1OCCO1 34a_100012180447_100000755774 [0,0,0,0,0,1|2,0,1]=4 1324 B11R1.172 CC(C)CCOC1CCCO1 34a_100000085407_100000210312 [0,0,0,0,0,1|2,0,1]=4 1325 B11R1.172 CC(C)CNCC1CCCO1 2230a_100000210953_100000203698 [0,0,0,0,0,1|2,0,1]=4 1326 B11R1.172 CC(C)CNC[C@@H]1CCCO1 2230a_100020590478_100000210760 [0,0,0,0,0,1|2,0,1]=4 1327 B11R1.172 CC(C)CNC[C@@H]1CCCO1 270004a_100020590478_100000210432 [0,0,0,0,0,1|2,0,1]=4 1328 B11R1.172 CC(C)CNC[C@@H]1CCCO1 34a_100020590478_100000210624 [0,0,0,0,0,1|2,0,1]=4 1329 B11R1.172 CC(C)COCC1CCCC1 34a_100000210257_100000740388 [0,0,0,0,0,1|2,0,1]=4 1330 B11R1.172 CC(C)COCC1CCCC1 34a_100000742336_100000210624 [0,0,0,0,0,1|2,0,1]=4 1331 B11R1.172 CC(C)COCC1CCCC1 7a_100000742336_100000210760 [0,0,0,0,0,1|2,0,1]=4 1332 B11R1.172 CC(C)COCC1CCCO1 34a_100000210270_100000210624 [0,0,0,0,0,1|1,0,1]=3 1333 B11R1.172 CC(C)COCC1CCCO1 7a_100000210270_100000210760 [0,0,0,0,0,1|1,0,1]=3 1334 B11R1.172 CC(C)COCC1COCO1 34a_100011216627_100000210624 [0,0,0,0,0,1|2,0,1]=4 1335 B11R1.172 CC(C)COCC1OCCO1 34a_100000087154_100000210624 [0,0,0,0,0,1|2,0,1]=4 1336 B11R1.172 CC(C)COCC1OCCO1 34a_100000210257_100000755774 [0,0,0,0,0,1|2,0,1]=4 1337 B11R1.172 CC(C)COC[C@H]1CCCN1 34a_100000745186_100000210624 [0,0,0,0,0,1|2,0,1]=4 1338 B11R1.172 CC(C)CSCC1CCCO1 62a_100000203698_100000210760 [0,0,0,0,0,1|1,1,1]=4 1339 B11R1.172 CC(C)CSCC1CCCO1 62a_100000210624_100000203698 [0,0,0,0,0,1|1,1,1]=4 1340 B11R1.172 CC(C)OCCC1CCCC1 34a_100000212225_100000760354 [0,0,0,0,0,1|2,0,1]=4 1341 B11R1.172 CC(C)OCCC1CCCC1 34a_100000749090_100000210206 [0,0,0,0,0,1|2,0,1]=4 1342 B11R1.172 CC(C)OCCC1CCCC1 7a_100000749090_100000210206 [0,0,0,0,0,1|2,0,1]=4 1343 B11R1.172 CC(C)OCCC1OCCO1 34a_100000212225_100000740749 [0,0,0,0,0,1|2,0,1]=4 1344 B11R1.172 CC(C)OCNC1CCCC1 2230a_100000211070_100000709892 [0,0,0,0,0,1|2,0,1]=4 1345 B11R1.172 CC(C)OCNC1CCCC1 34a_100000211070_100000709892 [0,0,0,0,0,1|2,0,1]=4 1346 B11R1.172 CC(C)OCOC1CCCC1 34a_100000210269_100000709892 [0,0,0,0,0,1|2,0,1]=4 1347 B11R1.172 CC(C)OCOC1CCCO1 34a_100000085407_100000709892 [0,0,0,0,0,1|1,0,1]=3 1348 B11R1.172 CC(C)OCSC1CCCC1 62a_100000709892_100000179811 [0,0,0,0,0,1|2,0,1]=4 1349 B11R1.172 CC(C)OCSC1CCCC1 62a_100011217020_100000709892 [0,0,0,0,0,1|2,0,1]=4 1350 B11R1.172 CC(F)COCC1CCCC1 34a_100015925927_100000740388 [0,0,0,0,0,1|2,0,1]=4 1351 B11R1.172 CC(F)COCC1OCCO1 34a_100015925927_100000755774 [0,0,0,0,0,1|2,0,1]=4 1352 B11R1.172 CC(O)CCOC1CCCO1 34a_100000085407_100012276601 [0,0,0,0,0,1|1,0,2]=4 1353 B11R1.172 CC(O)CNCC1CCCO1 2230a_100000210904_100000203698 [0,0,0,0,0,1|1,0,2]=4 1354 B11R1.172 CC(O)CNC[C@@H]1CCCO1 2230a_100020590478_100011218427 [0,0,0,0,0,1|1,0,2]=4 1355 B11R1.172 CC(O)CNC[C@@H]1CCCO1 34a_100020590478_100011218427 [0,0,0,0,0,1|1,0,2]=4 1356 B11R1.172 CC(O)COCC1CCCC1 34a_100000742336_100011218427 [0,0,0,0,0,1|1,0,2]=4 1357 B11R1.172 CC(O)COCC1CCCC1 7a_100000742336_100011218427 [0,0,0,0,0,1|1,0,2]=4 1358 B11R1.172 CC(O)COCC1CCCO1 34a_100000210270_100011218427 [0,0,0,0,0,1|0,0,2]=3 1359 B11R1.172 CC(O)COCC1CCCO1 7a_100000210270_100011218427 [0,0,0,0,0,1|0,0,2]=3 1360 B11R1.172 CC(O)COCC1COCO1 34a_100011216627_100011218427 [0,0,0,0,0,1|1,0,2]=4 1361 B11R1.172 CC(O)COCC1OCCO1 34a_100000087154_100011218427 [0,0,0,0,0,1|1,0,2]=4 1362 B11R1.172 CC(O)COC[C@H]1CCCN1 34a_100000745186_100011218427 [0,0,0,0,0,1|1,0,2]=4 1363 B11R1.172 CC(O)CSCC1CCCO1 62a_100000203698_100011218427 [0,0,0,0,0,1|0,1,2]=4 1364 B11R1.172 CC(O)CSCC1CCCO1 62a_100011218427_100000203698 [0,0,0,0,0,1|0,1,2]=4 1365 B11R1.172 CN(C)CCCC1CCCO1 2230a_100011698863_200000210301 [0,0,0,0,0,1|3,0,0]=4 1366 B11R1.172 CN(C)CCCC1CCCO1 269982a_100011698863_200000210301 [0,0,0,0,0,1|3,0,0]=4 1367 B11R1.172 CN(C)CCCC1CCCO1 34a_100011698863_200000210301 [0,0,0,0,0,1|3,0,0]=4 1368 B11R1.172 CN([13CH3])CCCC1CCCO1 2230a_100011698863_200025704644 [0,0,0,0,0,1|3,0,0]=4 1369 B11R1.172 CN([13CH3])CCCC1CCCO1 269982a_100011698863_200025704644 [0,0,0,0,0,1|3,0,0]=4 1370 B11R1.172 CN([13CH3])CCCC1CCCO1 34a_100011698863_200025704644 [0,0,0,0,0,1|3,0,0]=4 1371 B11R1.172 C[C@@H](Cl)COCC1CCCC1 34a_100016084084_100000740388 [0,0,0,0,0,1|2,0,1]=4 1372 B11R1.172 C[C@@H](Cl)COCC1OCCO1 34a_100016084084_100000755774 [0,0,0,0,0,1|2,0,1]=4 1373 B11R1.172 C[C@@H](N)COCC1CCCC1 34a_100000737577_100000740388 [0,0,0,0,0,1|2,0,1]=4 1374 B11R1.172 C[C@@H](N)COCC1OCCO1 34a_100000737577_100000755774 [0,0,0,0,0,1|2,0,1]=4 1375 B11R1.172 C[C@@H](O)CNC[C@@H]1CCCO1 2230a_100020590478_100009817552 [0,0,0,0,0,1|1,0,2]=4 1376 B11R1.172 C[C@@H](O)CNC[C@@H]1CCCO1 34a_100020590478_100009817552 [0,0,0,0,0,1|1,0,2]=4 1377 B11R1.172 C[C@@H](O)COCC1CCCC1 34a_100000742336_100009817552 [0,0,0,0,0,1|1,0,2]=4 1378 B11R1.172 C[C@@H](O)COCC1CCCC1 7a_100000742336_100009817552 [0,0,0,0,0,1|1,0,2]=4 1379 B11R1.172 C[C@@H](O)COCC1CCCO1 34a_100000210270_100009817552 [0,0,0,0,0,1|0,0,2]=3 1380 B11R1.172 C[C@@H](O)COCC1CCCO1 7a_100000210270_100009817552 [0,0,0,0,0,1|0,0,2]=3 1381 B11R1.172 C[C@@H](O)COCC1COCO1 34a_100011216627_100009817552 [0,0,0,0,0,1|1,0,2]=4 1382 B11R1.172 C[C@@H](O)COCC1OCCO1 34a_100000087154_100009817552 [0,0,0,0,0,1|1,0,2]=4 1383 B11R1.172 C[C@@H](O)COC[C@H]1CCCN1 34a_100000745186_100009817552 [0,0,0,0,0,1|1,0,2]=4 1384 B11R1.172 C[C@@H](O)CSCC1CCCO1 62a_100000203698_100009817552 [0,0,0,0,0,1|0,1,2]=4 1385 B11R1.172 C[C@@H](O)CSCC1CCCO1 62a_100009817552_100000203698 [0,0,0,0,0,1|0,1,2]=4 1386 B11R1.172 FC(F)COCC1CCCO1 34a_100000210270_100011934356 [0,0,0,0,0,1|2,0,1]=4 1387 B11R1.172 FC(F)COCC1CCCO1 7a_100000210270_100011934356 [0,0,0,0,0,1|2,0,1]=4 1388 B11R1.172 NC(=O)CCNC1CCCC1 2230a_100000211070_100000744528 [0,0,0,0,0,1|3,0,0]=4 1389 B11R1.172 NC(=O)CCNC1CCCC1 34a_100000211070_100000731001 [0,0,0,0,0,1|3,0,0]=4 1390 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000210269_100000731001 [0,0,0,0,0,1|3,0,0]=4 1391 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000757172_100000179811 [0,0,0,0,0,1|3,0,0]=4 1392 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000210269_100000744528 [0,0,0,0,0,1|3,0,0]=4 1393 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000757172_100000179811 [0,0,0,0,0,1|3,0,0]=4 1394 B11R1.172 NC(=O)CCOC1CCCO1 34a_100000085407_100000731001 [0,0,0,0,0,1|2,0,0]=3 1395 B11R1.172 NC(=O)CCSC1CCCC1 62a_100000744528_100000179811 [0,0,0,0,0,1|3,0,0]=4 1396 B11R1.172 NC(=O)CCSC1CCCC1 62a_100011217020_100000744528 [0,0,0,0,0,1|3,0,0]=4 1397 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000711301_100000740388 [0,0,0,0,0,1|3,0,0]=4 1398 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000737975_100000747473 [0,0,0,0,0,1|3,0,0]=4 1399 B11R1.172 NC(=O)CNCC1CCCC1 34a_100000737975_100000187820 [0,0,0,0,0,1|3,0,0]=4 1400 B11R1.172 NC(=O)CNCC1CCCO1 2230a_100000711301_100000203698 [0,0,0,0,0,1|2,0,0]=3 1401 B11R1.172 NC(=O)CNCC1OCCO1 2230a_100000036311_100000747473 [0,0,0,0,0,1|3,0,0]=4 1402 B11R1.172 NC(=O)CNCC1OCCO1 2230a_100000711301_100000755774 [0,0,0,0,0,1|3,0,0]=4 1403 B11R1.172 NC(=O)CNCC1OCCO1 34a_100000036311_100000187820 [0,0,0,0,0,1|3,0,0]=4 1404 B11R1.172 NC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747473 [0,0,0,0,0,1|2,0,0]=3 1405 B11R1.172 NC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000187820 [0,0,0,0,0,1|2,0,0]=3 1406 B11R1.172 NC(=O)COCC1CCCC1 34a_100000742336_100000187820 [0,0,0,0,0,1|2,0,0]=3 1407 B11R1.172 NC(=O)COCC1CCCC1 7a_100000742336_100000187820 [0,0,0,0,0,1|2,0,0]=3 1408 B11R1.172 NC(=O)COCC1CCCO1 34a_100000210270_100000187820 [0,0,0,0,0,1|1,0,0]=2 1409 B11R1.172 NC(=O)COCC1CCCO1 7a_100000210270_100000187820 [0,0,0,0,0,1|1,0,0]=2 1410 B11R1.172 NC(=O)COCC1CCNC1 34a_100000748654_100000187820 [0,0,0,0,0,1|3,0,0]=4 1411 B11R1.172 NC(=O)COCC1CCOC1 34a_100000740260_100000187820 [0,0,0,0,0,1|3,0,0]=4 1412 B11R1.172 NC(=O)COCC1COCO1 34a_100011216627_100000187820 [0,0,0,0,0,1|2,0,0]=3 1413 B11R1.172 NC(=O)COCC1OCCO1 34a_100000087154_100000187820 [0,0,0,0,0,1|2,0,0]=3 1414 B11R1.172 NC(=O)COC[C@H]1CCCN1 34a_100000745186_100000187820 [0,0,0,0,0,1|2,0,0]=3 1415 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000740388_100000747473 [0,0,0,0,0,1|2,1,0]=4 1416 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000747473_100000740388 [0,0,0,0,0,1|2,1,0]=4 1417 B11R1.172 NC(=O)CSCC1CCCO1 62a_100000203698_100000747473 [0,0,0,0,0,1|1,1,0]=3 1418 B11R1.172 NC(=O)CSCC1CCCO1 62a_100000747473_100000203698 [0,0,0,0,0,1|1,1,0]=3 1419 B11R1.172 NC(=O)CSCC1OCCO1 62a_100000747473_100000755774 [0,0,0,0,0,1|2,1,0]=4 1420 B11R1.172 NC(=O)CSCC1OCCO1 62a_100000755774_100000747473 [0,0,0,0,0,1|2,1,0]=4 1421 B11R1.172 NC(=O)OCCN1CCCC1 269982a_100000188435_200011214921 [0,0,0,0,0,1|3,0,0]=4 1422 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [0,0,0,0,0,1|3,0,0]=4 1423 B11R1.172 O=C(O)CNCC1CCCO1 269956a_100016091260_100000183445 [0,0,0,0,0,1|2,0,0]=3 1424 B11R1.172 O=C(O)CNCC1OCCO1 269956a_100016091260_100000755774 [0,0,0,0,0,1|3,0,0]=4 1425 B11R1.172 O=C(O)CONC1CCCC1 269956a_100000106656_100000179811 [0,0,0,0,0,1|3,0,0]=4 1426 B11R1.172 O=C([O-])CNCC1CCCC1 34a_100000737975_100020667443 [0,0,0,0,0,1|3,0,0]=4 1427 B11R1.172 O=C([O-])CNCC1OCCO1 34a_100000036311_100020667443 [0,0,0,0,0,1|3,0,0]=4 1428 B11R1.172 O=C([O-])CNC[C@@H]1CCCO1 34a_100020590478_100020667443 [0,0,0,0,0,1|2,0,0]=3 1429 B11R1.172 O=C([O-])COCC1CCCC1 34a_100000742336_100020667443 [0,0,0,0,0,1|2,0,0]=3 1430 B11R1.172 O=C([O-])COCC1CCCO1 34a_100000210270_100020667443 [0,0,0,0,0,1|1,0,0]=2 1431 B11R1.172 O=C([O-])COCC1CCNC1 34a_100000748654_100020667443 [0,0,0,0,0,1|3,0,0]=4 1432 B11R1.172 O=C([O-])COCC1CCOC1 34a_100000740260_100020667443 [0,0,0,0,0,1|3,0,0]=4 1433 B11R1.172 O=C([O-])COCC1COCO1 34a_100011216627_100020667443 [0,0,0,0,0,1|2,0,0]=3 1434 B11R1.172 O=C([O-])COCC1OCCO1 34a_100000087154_100020667443 [0,0,0,0,0,1|2,0,0]=3 1435 B11R1.172 O=C([O-])COC[C@H]1CCCN1 34a_100000745186_100020667443 [0,0,0,0,0,1|2,0,0]=3 1436 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100000740388_100020667443 [0,0,0,0,0,1|2,1,0]=4 1437 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100020667443_100000740388 [0,0,0,0,0,1|2,1,0]=4 1438 B11R1.172 O=C([O-])CSCC1CCCO1 62a_100000203698_100020667443 [0,0,0,0,0,1|1,1,0]=3 1439 B11R1.172 O=C([O-])CSCC1CCCO1 62a_100020667443_100000203698 [0,0,0,0,0,1|1,1,0]=3 1440 B11R1.172 O=C([O-])CSCC1OCCO1 62a_100000755774_100020667443 [0,0,0,0,0,1|2,1,0]=4 1441 B11R1.172 O=C([O-])CSCC1OCCO1 62a_100020667443_100000755774 [0,0,0,0,0,1|2,1,0]=4 1442 B11R1.172 O=[N+]([O-])CNC[C@@H]1CCCO1 34a_100020590478_100000761209 [0,0,0,0,0,1|3,0,0]=4 1443 B11R1.172 O=[N+]([O-])COCC1CCCC1 34a_100000742336_100000761209 [0,0,0,0,0,1|3,0,0]=4 1444 B11R1.172 O=[N+]([O-])COCC1CCCO1 34a_100000210270_100000761209 [0,0,0,0,0,1|2,0,0]=3 1445 B11R1.172 O=[N+]([O-])COCC1COCO1 34a_100011216627_100000761209 [0,0,0,0,0,1|3,0,0]=4 1446 B11R1.172 O=[N+]([O-])COCC1OCCO1 34a_100000087154_100000761209 [0,0,0,0,0,1|3,0,0]=4 1447 B11R1.172 O=[N+]([O-])COC[C@H]1CCCN1 34a_100000745186_100000761209 [0,0,0,0,0,1|3,0,0]=4 1448 B11R1.172 O=[N+]([O-])CSCC1CCCO1 62a_100000203698_100000761209 [0,0,0,0,0,1|2,1,0]=4 1449 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [0,0,0,0,0,1|3,0,0]=4 1450 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [0,0,0,0,0,1|0,0,0]=1 1451 B11R1.172 [13CH3]C(=O)CSCC1CCCO1 1458a_100000217298_200025704644 [0,0,0,0,0,1|0,1,0]=2 1452 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,0,1,0,0,0|1,0,0]=3 1453 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [1,0,1,0,0,0|2,0,0]=4 1454 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,0,1,0,0,0|2,0,0]=4 1455 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [1,0,1,0,0,0|2,0,0]=4 1456 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,0,1,0,0,0|2,0,0]=4 1457 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [1,0,1,0,0,0|2,0,0]=4 1458 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [1,0,1,0,0,0|2,0,0]=4 1459 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,0,1,0,0,0|1,0,1]=4 1460 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,0,1,0,0,0|1,0,1]=4 1461 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,0,1,0,0,0|1,0,1]=4 1462 B8R0.4 C=COCCNCCO 2230a_100016997473_100000039644 [1,0,1,0,0,0|1,0,1]=4 1463 B8R0.4 C=COCCNCCO 34a_100016990907_100000039644 [1,0,1,0,0,0|1,0,1]=4 1464 B8R0.4 C=COCCOCCBr 34a_100000211926_100000039644 [1,0,1,0,0,0|1,0,1]=4 1465 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,0,1,0,0,0|0,0,1]=3 1466 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,0,1,0,0,0|0,0,1]=3 1467 B8R0.4 C=COCCOCCF 34a_100000033082_100011217306 [1,0,1,0,0,0|1,0,1]=4 1468 B8R0.4 C=COCCOCCN 34a_100000210304_100000039644 [1,0,1,0,0,0|1,0,1]=4 1469 B8R0.4 C=COCCOCCO 34a_100000033082_100000211926 [1,0,1,0,0,0|1,0,1]=4 1470 B8R0.4 C=COCCOCSC 34a_100000033082_100011218213 [1,0,1,0,0,0|1,0,1]=4 1471 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [1,0,1,0,0,0|0,1,1]=4 1472 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [1,0,1,0,0,0|0,1,1]=4 1473 B8R0.4 C=COCCSCCO 62a_100000039644_100000211926 [1,0,1,0,0,0|1,0,1]=4 1474 B8R0.4 C=COCCSCCO 62a_100000211926_100000039644 [1,0,1,0,0,0|1,0,1]=4 1475 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [1,0,1,0,0,0|1,0,1]=4 1476 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [1,0,1,0,0,0|2,0,0]=4 1477 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [1,0,1,0,0,0|2,0,0]=4 1478 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,1,0,0,0|1,0,1]=4 1479 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,1,0,0,0|1,0,1]=4 1480 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,1,0,0,0|1,0,1]=4 1481 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,1,0,0,0|1,0,1]=4 1482 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,1,0,0,0|1,0,1]=4 1483 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,1,0,0,0|1,0,1]=4 1484 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,0,1,0,0,0|1,0,1]=4 1485 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,0,1,0,0,0|1,0,1]=4 1486 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,0,1,0,0,0|2,0,0]=4 1487 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,0,1,0,0,0|2,0,0]=4 1488 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,0,1,0,0,0|2,0,0]=4 1489 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,0,1,0,0,0|2,0,0]=4 1490 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,0,1,0,0,0|2,0,0]=4 1491 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,0,1,0,0,0|2,0,0]=4 1492 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,0,1,0,0,0|2,0,0]=4 1493 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,0,1,0,0,0|2,0,0]=4 1494 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,0,1,0,0,0|2,0,0]=4 1495 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,0,1,0,0,0|1,0,1]=4 1496 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,0,1,0,0,0|1,0,1]=4 1497 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,0,1,0,0,0|1,0,1]=4 1498 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,0,1,0,0,0|0,0,1]=3 1499 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,0,1,0,0,0|0,0,1]=3 1500 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,0,1,0,0,0|0,0,1]=3 1501 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,0,1,0,0,0|0,0,1]=3 1502 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,0,1,0,0,0|0,0,1]=3 1503 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,0,1,0,0,0|0,0,1]=3 1504 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [1,0,1,0,0,0|1,0,1]=4 1505 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [1,0,1,0,0,0|1,0,1]=4 1506 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,0,1,0,0,0|0,1,1]=4 1507 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,0,1,0,0,0|0,1,1]=4 1508 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,0,1,0,0,0|0,1,1]=4 1509 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,0,1,0,0,0|0,1,1]=4 1510 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,0,1,0,0,0|0,1,1]=4 1511 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,1,0,0,0|1,1,0]=4 1512 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,1,0,0,0|1,1,0]=4 1513 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,0,1,0,0,0|0,1,1]=4 1514 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,0,1,0,0,0|0,1,1]=4 1515 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,0,1,0,0,0|0,1,1]=4 1516 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,0,1,0,0,0|0,1,1]=4 1517 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,1,0,0,0|1,0,1]=4 1518 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,1,0,0,0|1,0,1]=4 1519 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,1,0,0,0|1,0,1]=4 1520 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,0,1,0,0,0|1,0,1]=4 1521 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,0,1,0,0,0|1,0,1]=4 1522 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,0,1,0,0,0|1,0,1]=4 1523 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,0,1,0,0,0|1,0,1]=4 1524 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,0,1,0,0,0|1,0,1]=4 1525 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,0,1,0,0,0|1,0,1]=4 1526 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,0,1,0,0,0|1,0,1]=4 1527 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,0,1,0,0,0|1,0,1]=4 1528 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,1,0,0,0|0,0,1]=3 1529 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,0,1,0,0,0|1,0,1]=4 1530 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,0,1,0,0,0|1,0,1]=4 1531 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,0,1,0,0,0|1,0,1]=4 1532 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,0,1,0,0,0|1,0,1]=4 1533 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [1,0,1,0,0,0|1,0,1]=4 1534 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [1,0,1,0,0,0|1,0,1]=4 1535 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [1,0,1,0,0,0|1,0,1]=4 1536 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [1,0,1,0,0,0|1,0,1]=4 1537 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [1,0,1,0,0,0|1,0,1]=4 1538 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [1,0,1,0,0,0|1,0,1]=4 1539 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [1,0,1,0,0,0|1,0,1]=4 1540 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [1,0,1,0,0,0|1,0,1]=4 1541 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [1,0,1,0,0,0|1,0,1]=4 1542 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [1,0,1,0,0,0|1,0,1]=4 1543 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [1,0,1,0,0,0|1,0,1]=4 1544 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [1,0,1,0,0,0|1,0,1]=4 1545 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [1,0,1,0,0,0|1,0,1]=4 1546 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,0,1,0,0,0|1,0,1]=4 1547 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,0,1,0,0,0|1,0,1]=4 1548 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,0,1,0,0,0|1,0,1]=4 1549 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [1,0,1,0,0,0|1,0,1]=4 1550 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,0,1,0,0,0|1,0,1]=4 1551 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,0,1,0,0,0|1,0,1]=4 1552 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,0,1,0,0,0|1,0,1]=4 1553 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,0,1,0,0,0|1,0,1]=4 1554 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,1,0,0,0|0,1,1]=4 1555 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,1,0,0,0|0,1,1]=4 1556 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,0,1,0,0,0|2,0,0]=4 1557 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,0,1,0,0,0|2,0,0]=4 1558 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,0,1,0,0,0|2,0,0]=4 1559 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,0,1,0,0,0|2,0,0]=4 1560 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,0,1,0,0,0|2,0,0]=4 1561 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,0,1,0,0,0|2,0,0]=4 1562 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,0,1,0,0,0|2,0,0]=4 1563 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,0,1,0,0,0|2,0,0]=4 1564 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,0,1,0,0,0|2,0,0]=4 1565 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,0,1,0,0,0|2,0,0]=4 1566 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,0,1,0,0,0|2,0,0]=4 1567 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,0,1,0,0,0|2,0,0]=4 1568 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,0,1,0,0,0|2,0,0]=4 1569 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,0,1,0,0,0|2,0,0]=4 1570 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,0,1,0,0,0|2,0,0]=4 1571 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,0,1,0,0,0|2,0,0]=4 1572 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,0,1,0,0,0|2,0,0]=4 1573 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,0,1,0,0,0|2,0,0]=4 1574 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,0,1,0,0,0|2,0,0]=4 1575 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,0,1,0,0,0|1,0,1]=4 1576 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,0,1,0,0,0|1,0,1]=4 1577 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,0,1,0,0,0|1,0,1]=4 1578 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [1,0,1,0,0,0|0,0,2]=4 1579 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [1,0,1,0,0,0|0,0,2]=4 1580 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [1,0,1,0,0,0|0,0,2]=4 1581 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [1,0,1,0,0,0|0,0,2]=4 1582 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [1,0,1,0,0,0|0,0,2]=4 1583 B8R0.7 C#CCOCOC(=O)C 34a_100000210247_100009813279 [1,0,1,0,0,0|0,0,2]=4 1584 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [1,0,1,0,0,0|1,0,1]=4 1585 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [1,0,1,0,0,0|2,0,0]=4 1586 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [1,0,1,0,0,0|2,0,0]=4 1587 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [1,0,1,0,0,0|2,0,0]=4 1588 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,0,1,0,0,0|1,0,0]=3 1589 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,0,1,0,0,0|1,0,0]=3 1590 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [1,0,1,0,0,0|2,0,0]=4 1591 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [1,0,1,0,0,0|2,0,0]=4 1592 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [1,0,1,0,0,0|2,0,0]=4 1593 B8R0.7 C=C(C)CCOCSC 34a_100000764851_100011218213 [1,0,1,0,0,0|2,0,0]=4 1594 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,0,1,0,0,0|1,1,0]=4 1595 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,0,1,0,0,0|1,1,0]=4 1596 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [1,0,1,0,0,0|2,0,0]=4 1597 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [1,0,1,0,0,0|2,0,0]=4 1598 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [1,0,1,0,0,0|2,0,0]=4 1599 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [1,0,1,0,0,0|2,0,0]=4 1600 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [1,0,1,0,0,0|2,0,0]=4 1601 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,1,0,0,0|1,0,1]=4 1602 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,1,0,0,0|1,0,1]=4 1603 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,1,0,0,0|1,0,1]=4 1604 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [1,0,1,0,0,0|0,0,2]=4 1605 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [1,0,1,0,0,0|0,0,2]=4 1606 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [1,0,1,0,0,0|0,0,2]=4 1607 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [1,0,1,0,0,0|0,0,2]=4 1608 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [1,0,1,0,0,0|0,0,2]=4 1609 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,0,1,0,0,0|1,0,1]=4 1610 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,1,0,0,0|1,0,0]=3 1611 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,1,0,0,0|0,0,0]=2 1612 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,1,0,0,0|0,0,0]=2 1613 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,1,0,0,0|2,0,0]=4 1614 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,1,0,0,0|2,0,0]=4 1615 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,0,1,0,0,0|2,0,0]=4 1616 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,0,1,0,0,0|2,0,0]=4 1617 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,0,1,0,0,0|2,0,0]=4 1618 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,0,1,0,0,0|2,0,0]=4 1619 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [1,0,1,0,0,0|1,0,1]=4 1620 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [1,0,1,0,0,0|1,0,1]=4 1621 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,0,1,0,0,0|1,0,1]=4 1622 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,0,1,0,0,0|1,0,1]=4 1623 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,0,1,0,0,0|1,0,0]=3 1624 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,0,1,0,0,0|1,0,0]=3 1625 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,0,1,0,0,0|1,0,0]=3 1626 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,0,1,0,0,0|1,0,0]=3 1627 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,0,1,0,0,0|1,0,0]=3 1628 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,0,1,0,0,0|1,0,0]=3 1629 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,0,1,0,0,0|1,1,0]=4 1630 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,0,1,0,0,0|1,1,0]=4 1631 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,0,1,0,0,0|1,0,0]=3 1632 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,0,1,0,0,0|1,0,0]=3 1633 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,0,1,0,0,0|2,0,0]=4 1634 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,0,1,0,0,0|1,0,0]=3 1635 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,0,1,0,0,0|1,0,0]=3 1636 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,0,1,0,0,0|1,0,0]=3 1637 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,0,1,0,0,0|2,0,0]=4 1638 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,0,1,0,0,0|2,0,0]=4 1639 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [1,0,1,0,0,0|2,0,0]=4 1640 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,0,1,0,0,0|1,0,0]=3 1641 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,0,1,0,0,0|1,0,0]=3 1642 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [1,0,1,0,0,0|1,1,0]=4 1643 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [1,0,1,0,0,0|1,1,0]=4 1644 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [1,0,1,0,0,0|2,0,0]=4 1645 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [1,0,1,0,0,0|1,0,0]=3 1646 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [1,0,1,0,0,0|1,0,0]=3 1647 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [1,0,1,0,0,0|1,0,0]=3 1648 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [1,0,1,0,0,0|1,1,0]=4 1649 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [1,0,1,0,0,0|1,1,0]=4 1650 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [1,0,1,0,0,0|1,0,0]=3 1651 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [1,0,1,0,0,0|1,0,0]=3 1652 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,0,1,0,0,0|1,1,0]=4 1653 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,0,1,0,0,0|1,1,0]=4 1654 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [1,0,1,0,0,0|1,1,0]=4 1655 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [1,0,1,0,0,0|1,1,0]=4 1656 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [1,0,1,0,0,0|1,0,1]=4 1657 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,1,0,0,0|1,0,1]=4 1658 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,0,1,0,0,0|1,0,1]=4 1659 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,0,1,0,0,0|1,0,1]=4 1660 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,0,1,0,0,0|1,0,1]=4 1661 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,0,1,0,0,0|1,0,1]=4 1662 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,1,0,0,0|1,0,0]=3 1663 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,1,0,0,0|1,0,0]=3 1664 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,1,0,0,0|1,0,0]=3 1665 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,1,0,0,0|1,0,0]=3 1666 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,1,0,0,0|1,0,0]=3 1667 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,1,0,0,0|1,0,0]=3 1668 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,1,0,0,0|1,0,0]=3 1669 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,0,1,0,0,0|1,0,1]=4 1670 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,0,1,0,0,0|1,0,1]=4 1671 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,0,1,0,0,0|1,0,1]=4 1672 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,0,1,0,0,0|2,0,0]=4 1673 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,1,0,0,0|2,0,0]=4 1674 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,1,0,0,0|2,0,0]=4 1675 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,1,0,0,0|2,0,0]=4 1676 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,1,0,0,0|2,0,0]=4 1677 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,0,1,0,0,0|2,0,0]=4 1678 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,0,1,0,0,0|2,0,0]=4 1679 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,0,1,0,0,0|1,0,1]=4 1680 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,0,1,0,0,0|1,0,1]=4 1681 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,1,0,0,0|0,0,0]=2 1682 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,1,0,0,0|0,0,0]=2 1683 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,1,0,0,0|0,0,0]=2 1684 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,0,1,0,0,0|1,0,0]=3 1685 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,0,1,0,0,0|1,0,0]=3 1686 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,0,1,0,0,0|1,0,0]=3 1687 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,0,1,0,0,0|1,0,1]=4 1688 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,0,1,0,0,0|1,0,1]=4 1689 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,0,1,0,0,0|1,0,1]=4 1690 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,0,1,0,0,0|1,0,1]=4 1691 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,0,1,0,0,0|0,0,2]=4 1692 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [1,0,1,0,0,0|2,0,0]=4 1693 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [1,0,1,0,0,0|2,0,0]=4 1694 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,0,1,0,0,0|1,0,1]=4 1695 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,0,1,0,0,0|0,0,0]=2 1696 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [1,0,1,0,0,0|1,0,1]=4 1697 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,1,0,0,0|0,1,0]=3 1698 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,1,0,0,0|0,1,0]=3 1699 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,0,1,0,0,0|1,1,0]=4 1700 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,0,1,0,0,0|1,1,0]=4 1701 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,0,1,0,0,0|0,1,0]=3 1702 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,0,1,0,0,0|0,1,0]=3 1703 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,0,1,0,0,0|2,0,0]=4 1704 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,0,1,0,0,0|2,0,0]=4 1705 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,0,1,0,0,0|2,0,0]=4 1706 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,1,0,0,0|1,0,0]=3 1707 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,1,0,0,0|1,0,0]=3 1708 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,1,0,0,0|1,0,0]=3 1709 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,1,0,0,0|1,0,0]=3 1710 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,0,1,0,0,0|2,0,0]=4 1711 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,0,1,0,0,0|1,0,0]=3 1712 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,0,1,0,0,0|1,0,0]=3 1713 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,0,1,0,0,0|1,0,0]=3 1714 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,0,1,0,0,0|1,0,0]=3 1715 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,0,1,0,0,0|1,0,0]=3 1716 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,0,1,0,0,0|2,0,0]=4 1717 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,0,1,0,0,0|0,0,0]=2 1718 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,0,1,0,0,0|1,0,0]=3 1719 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,0,1,0,0,0|1,0,0]=3 1720 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [1,0,1,0,0,0|1,0,1]=4 1721 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [1,0,1,0,0,0|1,0,1]=4 1722 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [1,0,1,0,0,0|1,0,1]=4 1723 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [1,0,1,0,0,0|1,0,1]=4 1724 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [1,0,1,0,0,0|1,0,1]=4 1725 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [1,0,1,0,0,0|1,0,1]=4 1726 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,1,0,0,0|1,1,0]=4 1727 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,1,0,0,0|1,1,0]=4 1728 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,0,1,0,0,0|1,1,0]=4 1729 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,0,1,0,0,0|1,1,0]=4 1730 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,0,1,0,0,0|1,1,0]=4 1731 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,0,1,0,0,0|1,1,0]=4 1732 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,0,1,0,0,0|1,1,0]=4 1733 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,0,1,0,0,0|1,1,0]=4 1734 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,0,1,0,0,0|0,1,0]=3 1735 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,0,1,0,0,0|0,1,0]=3 1736 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,0,1,0,0,0|1,1,0]=4 1737 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,0,1,0,0,0|1,1,0]=4 1738 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [1,0,1,0,0,0|2,0,0]=4 1739 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [1,0,1,0,0,0|2,0,0]=4 1740 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [1,0,1,0,0,0|2,0,0]=4 1741 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [1,0,1,0,0,0|2,0,0]=4 1742 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [1,0,1,0,0,0|2,0,0]=4 1743 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [1,0,1,0,0,0|2,0,0]=4 1744 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,1,0,0,0|2,0,0]=4 1745 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,1,0,0,0|2,0,0]=4 1746 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,0,1,0,0,0|2,0,0]=4 1747 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,0,1,0,0,0|1,0,0]=3 1748 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,0,1,0,0,0|1,0,0]=3 1749 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [1,0,1,0,0,0|1,1,0]=4 1750 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [1,0,1,0,0,0|1,1,0]=4 1751 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [1,0,1,0,0,0|1,1,0]=4 1752 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,0,1,0,0,0|1,1,0]=4 1753 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,0,1,0,0,0|1,1,0]=4 1754 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,0,1,0,0,0|1,1,0]=4 1755 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,1,0,0,0|2,0,0]=4 1756 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,1,0,0,0|2,0,0]=4 1757 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,0,1,0,0,0|2,0,0]=4 1758 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,0,1,0,0,0|2,0,0]=4 1759 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,0,1,0,0,0|2,0,0]=4 1760 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,0,1,0,0,0|2,0,0]=4 1761 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,0,1,0,0,0|1,0,0]=3 1762 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [1,0,1,0,0,0|1,1,0]=4 1763 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,0,1,0,0,0|1,1,0]=4 1764 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,0,1,0,0,0|1,1,0]=4 1765 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,0,1,0,0,0|1,1,0]=4 1766 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [1,0,1,0,0,0|1,1,0]=4 1767 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [1,0,1,0,0,0|1,1,0]=4 1768 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,1,0,0,0|2,0,0]=4 1769 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,1,0,0,0|2,0,0]=4 1770 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,0,1,0,0,0|2,0,0]=4 1771 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,0,1,0,0,0|2,0,0]=4 1772 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,0,1,0,0,0|2,0,0]=4 1773 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,0,1,0,0,0|2,0,0]=4 1774 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,0,1,0,0,0|1,0,0]=3 1775 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,0,1,0,0,0|1,0,0]=3 1776 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [1,0,1,0,0,0|1,1,0]=4 1777 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [1,0,1,0,0,0|1,1,0]=4 1778 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,0,1,0,0,0|1,1,0]=4 1779 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,0,1,0,0,0|1,1,0]=4 1780 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,0,1,0,0,0|1,0,0]=3 1781 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [1,0,1,0,0,0|2,0,0]=4 1782 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,0,1,0,0,0|1,1,0]=4 1783 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,0,1,0,0,0|1,1,0]=4 1784 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [1,0,1,0,0,0|1,1,0]=4 1785 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [1,0,1,0,0,0|1,1,0]=4 1786 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,0,1,0,0,0|2,0,0]=4 1787 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,0,1,0,0,0|2,0,0]=4 1788 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,0,1,0,0,0|2,0,0]=4 1789 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,0,1,0,0,0|2,0,0]=4 1790 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,0,1,0,0,0|2,0,0]=4 1791 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,0,1,0,0,0|2,0,0]=4 1792 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,0,1,0,0,0|2,0,0]=4 1793 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,0,1,0,0,0|2,0,0]=4 1794 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,0,1,0,0,0|2,0,0]=4 1795 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,0,1,0,0,0|2,0,0]=4 1796 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [1,0,1,0,0,0|2,0,0]=4 1797 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [1,0,1,0,0,0|2,0,0]=4 1798 B8R0.7 NC(=O)OCCOCF 7a_100000766696_100015361967 [1,0,1,0,0,0|2,0,0]=4 1799 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,0,1,0,0,0|2,0,0]=4 1800 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,0,1,0,0,0|2,0,0]=4 1801 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [1,0,1,0,0,0|2,0,0]=4 1802 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [1,0,1,0,0,0|2,0,0]=4 1803 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,1,0,0,0|0,0,0]=2 1804 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,0,1,0,0,0|1,0,0]=3 1805 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [1,0,1,0,0,0|2,0,0]=4 1806 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [1,0,1,0,0,0|2,0,0]=4 1807 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [1,0,1,0,0,0|2,0,0]=4 1808 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [1,0,1,0,0,0|2,0,0]=4 1809 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,0,1,0,0,0|0,0,2]=4 1810 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,0,1,0,0,0|1,0,0]=3 1811 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,0,1,0,0,0|1,0,0]=3 1812 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,0,1,0,0,0|1,0,0]=3 1813 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,0,1,0,0,0|1,0,0]=3 1814 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,0,1,0,0,0|1,0,0]=3 1815 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,0,1,0,0,0|1,0,0]=3 1816 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [1,0,1,0,0,0|1,0,1]=4 1817 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [1,0,1,0,0,0|2,0,0]=4 1818 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,0,1,0,0,0|2,0,0]=4 1819 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,0,1,0,0,0|1,0,0]=3 1820 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,0,1,0,0,0|1,0,0]=3 1821 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,0,1,0,0,0|1,0,0]=3 1822 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [1,0,1,0,0,0|1,0,1]=4 1823 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [1,0,1,0,0,0|2,0,0]=4 1824 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [1,0,1,0,0,0|2,0,0]=4 1825 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [1,0,1,0,0,0|2,0,0]=4 1826 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [1,0,1,0,0,0|1,0,0]=3 1827 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [1,0,1,0,0,0|1,0,1]=4 1828 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [1,0,1,0,0,0|1,0,1]=4 1829 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [1,0,1,0,0,0|1,0,0]=3 1830 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [1,0,1,0,0,0|1,0,1]=4 1831 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [1,0,1,0,0,0|1,0,0]=3 1832 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [1,0,1,0,0,0|1,0,0]=3 1833 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [1,0,1,0,0,0|1,0,0]=3 1834 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [1,0,1,0,0,0|1,0,0]=3 1835 B8R0.11 CCC(COCF)OC 34a_100011934954_100015361967 [1,0,1,0,0,0|1,0,1]=4 1836 B8R0.11 CCC(COCF)OC 7a_100011934954_100015361967 [1,0,1,0,0,0|1,0,1]=4 1837 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [1,0,1,0,0,0|1,0,1]=4 1838 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [1,0,1,0,0,0|1,0,1]=4 1839 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [1,0,1,0,0,0|1,0,1]=4 1840 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [1,0,1,0,0,0|1,0,1]=4 1841 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [1,0,1,0,0,0|1,0,1]=4 1842 B8R0.11 CCOCC(CC)CC 34a_100121572206_100011215472 [1,0,1,0,0,0|1,0,1]=4 1843 B8R0.11 CCOCC(CC)CC 7a_100000703878_100000210202 [1,0,1,0,0,0|1,0,1]=4 1844 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [1,0,1,0,0,0|0,0,1]=3 1845 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [1,0,1,0,0,0|0,0,1]=3 1846 B8R0.11 CCOCC(CN)OC 34a_102515437182_200000210301 [1,0,1,0,0,0|1,0,1]=4 1847 B8R0.11 CCOCC(CN)O[13CH3] 34a_102515437182_200025704644 [1,0,1,0,0,0|1,0,1]=4 1848 B8R0.11 CCOCC(OC)OC 34a_100011216393_100000210202 [1,0,1,0,0,0|1,0,1]=4 1849 B8R0.11 CCOCC(OC)OC 34a_100121572206_100000211822 [1,0,1,0,0,0|1,0,1]=4 1850 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [1,0,1,0,0,0|1,0,1]=4 1851 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [1,0,1,0,0,0|1,0,1]=4 1852 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,0,1,0,0,0|1,0,1]=4 1853 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,0,1,0,0,0|1,0,1]=4 1854 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,0,1,0,0,0|1,0,1]=4 1855 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,0,1,0,0,0|1,0,1]=4 1856 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,0,1,0,0,0|1,0,1]=4 1857 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,0,1,0,0,0|1,0,1]=4 1858 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,0,1,0,0,0|1,0,1]=4 1859 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [1,0,1,0,0,0|0,0,1]=3 1860 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [1,0,1,0,0,0|0,0,1]=3 1861 B8R0.1 CCOCC(C)OCF 34a_100000718985_100015361967 [1,0,1,0,0,0|1,0,1]=4 1862 B8R0.1 CCOCC(C)OCF 7a_100000718985_100015361967 [1,0,1,0,0,0|1,0,1]=4 1863 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [1,0,1,0,0,0|1,0,1]=4 1864 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [1,0,1,0,0,0|1,0,1]=4 1865 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [1,0,1,0,0,0|1,0,1]=4 1866 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [1,0,1,0,0,0|1,0,1]=4 1867 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [1,0,1,0,0,0|1,0,1]=4 1868 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [2,0,0,0,0,0|1,0,1]=4 1869 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [2,0,0,0,0,0|1,0,1]=4 1870 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [2,0,0,0,0,0|1,0,1]=4 1871 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [2,0,0,0,0,0|0,0,1]=3 1872 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [2,0,0,0,0,0|2,0,0]=4 1873 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [2,0,0,0,0,0|2,0,0]=4 1874 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [2,0,0,0,0,0|2,0,0]=4 1875 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [2,0,0,0,0,0|2,0,0]=4 1876 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [2,0,0,0,0,0|2,0,0]=4 1877 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [2,0,0,0,0,0|2,0,0]=4 1878 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [2,0,0,0,0,0|1,0,0]=3 1879 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [2,0,0,0,0,0|1,0,0]=3 1880 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [2,0,0,0,0,0|2,0,0]=4 1881 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [2,0,0,0,0,0|2,0,0]=4 1882 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [2,0,0,0,0,0|2,0,0]=4 1883 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [2,0,0,0,0,0|2,0,0]=4 1884 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [2,0,0,0,0,0|2,0,0]=4 1885 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [2,0,0,0,0,0|1,0,0]=3 1886 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [2,0,0,0,0,0|1,0,0]=3 1887 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [2,0,0,0,0,0|1,0,0]=3 1888 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [2,0,0,0,0,0|1,0,0]=3 1889 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [2,0,0,0,0,0|1,0,0]=3 1890 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [2,0,0,0,0,0|0,0,0]=2 1891 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [2,0,0,0,0,0|0,0,0]=2 1892 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [2,0,0,0,0,0|2,0,0]=4 1893 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [2,0,0,0,0,0|2,0,0]=4 1894 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [2,0,0,0,0,0|2,0,0]=4 1895 B8R1.8 COCC1COCO1 34a_100011216627_200000210301 [2,0,0,0,0,0|1,0,0]=3 1896 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [2,0,0,0,0,0|1,0,0]=3 1897 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [2,0,0,0,0,0|1,0,0]=3 1898 B8R1.8 COCN1CCCC1 2230a_100000188435_100000766300 [2,0,0,0,0,0|2,0,0]=4 1899 B8R1.8 COCN1CCCC1 269982a_100000188435_100000766300 [2,0,0,0,0,0|2,0,0]=4 1900 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [2,0,0,0,0,0|1,0,0]=3 1901 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [2,0,0,0,0,0|1,1,0]=4 1902 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [2,0,0,0,0,0|1,1,0]=4 1903 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [2,0,0,0,0,0|0,1,0]=3 1904 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [2,0,0,0,0,0|0,1,0]=3 1905 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [2,0,0,0,0,0|1,1,0]=4 1906 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [2,0,0,0,0,0|1,1,0]=4 1907 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [2,0,0,0,0,0|1,0,1]=4 1908 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [2,0,0,0,0,0|2,0,0]=4 1909 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [2,0,0,0,0,0|2,0,0]=4 1910 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [2,0,0,0,0,0|2,0,0]=4 1911 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [2,0,0,0,0,0|2,0,0]=4 1912 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [2,0,0,0,0,0|2,0,0]=4 1913 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [2,0,0,0,0,0|2,0,0]=4 1914 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [2,0,0,0,0,0|1,0,0]=3 1915 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [2,0,0,0,0,0|1,0,0]=3 1916 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [2,0,0,0,0,0|1,0,0]=3 1917 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [2,0,0,0,0,0|1,0,0]=3 1918 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [2,0,0,0,0,0|0,0,0]=2 1919 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [2,0,0,0,0,0|0,0,0]=2 1920 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [2,0,0,0,0,0|2,0,0]=4 1921 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [2,0,0,0,0,0|2,0,0]=4 1922 B8R1.8 [13CH3]OCC1COCO1 34a_100011216627_200025704644 [2,0,0,0,0,0|1,0,0]=3 1923 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [2,0,0,0,0,0|1,0,0]=3 1924 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [2,0,0,0,0,0|1,0,0]=3 1925 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [2,0,0,0,0,0|1,1,0]=4 1926 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [2,0,0,0,0,0|1,1,0]=4 1927 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [2,0,0,0,0,0|0,1,0]=3 1928 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [2,0,0,0,0,0|0,1,0]=3 1929 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [2,0,0,0,0,0|1,1,0]=4 1930 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [2,0,0,0,0,0|1,1,0]=4 1931 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,1,1,0,0,0|1,0,1]=4 1932 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,1,1,0,0,0|2,0,0]=4 1933 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [0,1,1,0,0,0|2,0,0]=4 1934 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [0,1,1,0,0,0|2,0,0]=4 1935 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [0,1,1,0,0,0|2,0,0]=4 1936 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [0,1,1,0,0,0|2,0,0]=4 1937 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100000183196_100000211926 [0,1,1,0,0,0|1,0,1]=4 1938 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100011216618_100000189650 [0,1,1,0,0,0|1,0,1]=4 1939 B10R0.3 CC(=O)NCCN(C)CCO 2230a_100000210263_100000189650 [0,1,1,0,0,0|2,0,0]=4 1940 B10R0.3 CC(=O)NCCN(C)CCO 269982a_100000210263_100000189650 [0,1,1,0,0,0|2,0,0]=4 1941 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,1,1,0,0,0|0,0,1]=3 1942 B10R0.3 CC(=O)OCCN(C)CCO 269982a_100000210263_100009814007 [0,1,1,0,0,0|1,0,0]=3 1943 B10R0.3 CC(=O)OCN[C@H](C)CCO 34a_100000706166_100009813279 [0,1,1,0,0,0|1,0,0]=3 1944 B10R0.3 CC(=O)OCOC(C)CCBr 34a_100012276601_100009813279 [0,1,1,0,0,0|2,0,0]=4 1945 B10R0.3 CC(=O)OCSC(C)CCO 62a_100000076356_100009893172 [0,1,1,0,0,0|1,0,0]=3 1946 B10R0.3 CC(=O)OCSC(C)CCO 62a_100009893172_100000076356 [0,1,1,0,0,0|1,0,0]=3 1947 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,1,1,0,0,0|0,1,1]=4 1948 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,1,1,0,0,0|2,0,0]=4 1949 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,1,1,0,0,0|2,0,0]=4 1950 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,1,1,0,0,0|2,0,0]=4 1951 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,1,1,0,0,0|1,0,0]=3 1952 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,1,1,0,0,0|2,0,0]=4 1953 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,1,1,0,0,0|1,1,0]=4 1954 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [0,1,1,0,0,0|2,0,0]=4 1955 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [0,1,1,0,0,0|2,0,0]=4 1956 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [0,1,1,0,0,0|2,0,0]=4 1957 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,1,1,0,0,0|2,0,0]=4 1958 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [0,1,1,0,0,0|2,0,0]=4 1959 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [0,1,1,0,0,0|2,0,0]=4 1960 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,1,1,0,0,0|1,0,0]=3 1961 B10R0.3 CCCN(C)CCOC(=O)N 269982a_100000747261_200011214921 [0,1,1,0,0,0|2,0,0]=4 1962 B10R0.3 CN(CCO)CCOC(=O)N 269982a_100000210263_200011214921 [0,1,1,0,0,0|2,0,0]=4 1963 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,1,1,0,0,0|2,0,0]=4 1964 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,1,1,0,0,0|2,0,0]=4 1965 B10R0.3 NC(=O)OCCC(=O)CCO 1458a_100011216618_200011214921 [0,1,1,0,0,0|1,0,1]=4 1966 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,1,1,0,0,0|2,0,0]=4 1967 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,1,1,0,0,0|2,0,0]=4 1968 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,1,1,0,0,0|2,0,0]=4 1969 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [0,1,1,0,0,0|1,0,1]=4 1970 B10R0.4 C#CCCCNCOC(=O)C 34a_100000718082_100009813279 [0,1,1,0,0,0|1,0,1]=4 1971 B10R0.4 C#CCCCOCOC(=O)C 34a_100000215630_100009813279 [0,1,1,0,0,0|1,0,1]=4 1972 B10R0.4 C#CCCCSCOC(=O)C 62a_100000076356_100011215417 [0,1,1,0,0,0|1,0,1]=4 1973 B10R0.4 C#CCCCSCOC(=O)C 62a_100011215417_100000076356 [0,1,1,0,0,0|1,0,1]=4 1974 B10R0.4 C#CCCNCCOC(=O)C 34a_100000755551_100009814007 [0,1,1,0,0,0|1,0,1]=4 1975 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [0,1,1,0,0,0|1,0,1]=4 1976 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [0,1,1,0,0,0|1,0,1]=4 1977 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [0,1,1,0,0,0|1,0,1]=4 1978 B10R0.4 C#CCCOCCNC(=O)C 34a_100000158858_100000688953 [0,1,1,0,0,0|1,0,1]=4 1979 B10R0.4 C#CCCOCCOC(=O)C 34a_100011215631_100009814007 [0,1,1,0,0,0|0,0,1]=3 1980 B10R0.4 C#CCCOCCOC(=O)N 34a_100011215631_200011214921 [0,1,1,0,0,0|1,0,1]=4 1981 B10R0.4 C#CCCOCCOC(=O)N 7a_100000766696_100000688953 [0,1,1,0,0,0|1,0,1]=4 1982 B10R0.4 C#CCCSCCOC(=O)C 62a_100000688953_100009814007 [0,1,1,0,0,0|0,1,1]=4 1983 B10R0.4 C#CCCSCCOC(=O)C 62a_100009814007_100000688953 [0,1,1,0,0,0|0,1,1]=4 1984 B10R0.4 C#CCNCCCOC(=O)C 34a_100000212058_100000042594 [0,1,1,0,0,0|1,0,1]=4 1985 B10R0.4 C#CCOCCCOC(=O)C 34a_100000210247_100000042594 [0,1,1,0,0,0|0,0,2]=4 1986 B10R0.4 C#CCOCCOCC(=O)C 34a_100000211253_100010402529 [0,1,1,0,0,0|0,0,2]=4 1987 B10R0.4 C#CCSCCCOC(=O)C 62a_100000038162_100000042594 [0,1,1,0,0,0|1,0,1]=4 1988 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [0,1,1,0,0,0|1,0,1]=4 1989 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [0,1,1,0,0,0|1,0,1]=4 1990 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [0,1,1,0,0,0|1,0,1]=4 1991 B10R0.4 C/C=C/COCCNC(=O)C 34a_100000158858_100102629194 [0,1,1,0,0,0|1,0,1]=4 1992 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [0,1,1,0,0,0|0,0,1]=3 1993 B10R0.4 C/C=C/COCCOC(=O)N 34a_100016270725_200011214921 [0,1,1,0,0,0|1,0,1]=4 1994 B10R0.4 C/C=C/COCCOC(=O)N 7a_100000766696_100102629194 [0,1,1,0,0,0|1,0,1]=4 1995 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100009814007_100102629194 [0,1,1,0,0,0|0,1,1]=4 1996 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100102629194_100009814007 [0,1,1,0,0,0|0,1,1]=4 1997 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [0,1,1,0,0,0|2,0,0]=4 1998 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [0,1,1,0,0,0|2,0,0]=4 1999 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,1,1,0,0,0|2,0,0]=4 2000 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [0,1,1,0,0,0|2,0,0]=4 2001 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [0,1,1,0,0,0|2,0,0]=4 2002 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,1,1,0,0,0|2,0,0]=4 2003 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,1,1,0,0,0|2,0,0]=4 2004 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [0,1,1,0,0,0|2,0,0]=4 2005 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [0,1,1,0,0,0|2,0,0]=4 2006 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,1,1,0,0,0|2,0,0]=4 2007 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,1,1,0,0,0|2,0,0]=4 2008 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,1,1,0,0,0|2,0,0]=4 2009 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,1,1,0,0,0|2,0,0]=4 2010 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,1,1,0,0,0|2,0,0]=4 2011 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,1,1,0,0,0|2,0,0]=4 2012 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,1,1,0,0,0|2,0,0]=4 2013 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,1,1,0,0,0|2,0,0]=4 2014 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,1,1,0,0,0|2,0,0]=4 2015 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,1,1,0,0,0|2,0,0]=4 2016 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,1,1,0,0,0|2,0,0]=4 2017 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,1,1,0,0,0|1,0,0]=3 2018 B10R0.4 C=C(C)COCCOCCBr 34a_100000692535_100000748629 [0,1,1,0,0,0|2,0,0]=4 2019 B10R0.4 C=C(C)COCCOCCBr 7a_100000692535_100000748629 [0,1,1,0,0,0|2,0,0]=4 2020 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,1,1,0,0,0|1,0,0]=3 2021 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,1,1,0,0,0|1,0,0]=3 2022 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,1,1,0,0,0|1,0,0]=3 2023 B10R0.4 C=C(C)COCCOCCCl 34a_100011215305_100000748629 [0,1,1,0,0,0|2,0,0]=4 2024 B10R0.4 C=C(C)COCCOCCCl 7a_100011215305_100000748629 [0,1,1,0,0,0|2,0,0]=4 2025 B10R0.4 C=C(C)COCCOCCF 34a_200015357709_100000748629 [0,1,1,0,0,0|2,0,0]=4 2026 B10R0.4 C=C(C)COCCOCCF 7a_200015357709_100000748629 [0,1,1,0,0,0|2,0,0]=4 2027 B10R0.4 C=C(C)COCCOCCI 34a_100012149058_100000748629 [0,1,1,0,0,0|2,0,0]=4 2028 B10R0.4 C=C(C)COCCOCCI 7a_100012149058_100000748629 [0,1,1,0,0,0|2,0,0]=4 2029 B10R0.4 C=C(C)COCCOCCN 34a_100000211614_100000748629 [0,1,1,0,0,0|2,0,0]=4 2030 B10R0.4 C=C(C)COCCOCCO 34a_100000210245_100000692535 [0,1,1,0,0,0|2,0,0]=4 2031 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [0,1,1,0,0,0|1,1,0]=4 2032 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [0,1,1,0,0,0|1,1,0]=4 2033 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,1,1,0,0,0|1,1,0]=4 2034 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,1,1,0,0,0|1,1,0]=4 2035 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [0,1,1,0,0,0|1,1,0]=4 2036 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [0,1,1,0,0,0|1,1,0]=4 2037 B10R0.4 C=C(F)COCCCCCO 34a_200010262243_100000746330 [0,1,1,0,0,0|1,0,1]=4 2038 B10R0.4 C=C(F)COCCOCCC 34a_100000752267_100009893438 [0,1,1,0,0,0|1,0,1]=4 2039 B10R0.4 C=C(F)COCCOCCC 34a_200010262243_100011215938 [0,1,1,0,0,0|1,0,1]=4 2040 B10R0.4 C=C(F)COCCOCCC 7a_100000752267_100000042424 [0,1,1,0,0,0|1,0,1]=4 2041 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,1,1,0,0,0|2,0,0]=4 2042 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,1,1,0,0,0|2,0,0]=4 2043 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,1,1,0,0,0|2,0,0]=4 2044 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [0,1,1,0,0,0|1,0,1]=4 2045 B10R0.4 C=CCCCNCOC(=O)C 34a_100000700776_100009813279 [0,1,1,0,0,0|1,0,1]=4 2046 B10R0.4 C=CCCCOCOC(=O)C 34a_100000758997_100009813279 [0,1,1,0,0,0|1,0,1]=4 2047 B10R0.4 C=CCCCSCOC(=O)C 62a_100000076356_100000757094 [0,1,1,0,0,0|1,0,1]=4 2048 B10R0.4 C=CCCCSCOC(=O)C 62a_100011713584_100000076356 [0,1,1,0,0,0|1,0,1]=4 2049 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [0,1,1,0,0,0|1,0,1]=4 2050 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [0,1,1,0,0,0|1,0,1]=4 2051 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [0,1,1,0,0,0|1,0,1]=4 2052 B10R0.4 C=CCCOCCNC(=O)C 34a_100000158858_100000754431 [0,1,1,0,0,0|1,0,1]=4 2053 B10R0.4 C=CCCOCCOC(=O)C 34a_100011205117_100009814007 [0,1,1,0,0,0|0,0,1]=3 2054 B10R0.4 C=CCCOCCOC(=O)N 34a_100011205117_200011214921 [0,1,1,0,0,0|1,0,1]=4 2055 B10R0.4 C=CCCOCCOC(=O)N 7a_100000766696_100000754431 [0,1,1,0,0,0|1,0,1]=4 2056 B10R0.4 C=CCCSCCOC(=O)C 62a_100000754431_100009814007 [0,1,1,0,0,0|0,1,1]=4 2057 B10R0.4 C=CCCSCCOC(=O)C 62a_100009814007_100000754431 [0,1,1,0,0,0|0,1,1]=4 2058 B10R0.4 C=CCOCCCOC(=O)C 34a_200000210373_100000042594 [0,1,1,0,0,0|0,0,2]=4 2059 B10R0.4 C=CCSCCCOC(=O)C 62a_100000042594_100000210623 [0,1,1,0,0,0|1,0,1]=4 2060 B10R0.4 C=CCSCCCOC(=O)C 62a_100000210623_100000042594 [0,1,1,0,0,0|1,0,1]=4 2061 B10R0.4 CC#CCNCCOC(=O)C 34a_100000685387_100009814007 [0,1,1,0,0,0|1,0,1]=4 2062 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [0,1,1,0,0,0|1,0,1]=4 2063 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [0,1,1,0,0,0|1,0,1]=4 2064 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [0,1,1,0,0,0|1,0,1]=4 2065 B10R0.4 CC#CCOCCNC(=O)C 34a_100000158858_100000748600 [0,1,1,0,0,0|1,0,1]=4 2066 B10R0.4 CC#CCOCCOC(=O)C 34a_100000761923_100009814007 [0,1,1,0,0,0|0,0,1]=3 2067 B10R0.4 CC#CCOCCOC(=O)N 34a_100000761923_200011214921 [0,1,1,0,0,0|1,0,1]=4 2068 B10R0.4 CC#CCOCCOC(=O)N 7a_100000766696_100000748600 [0,1,1,0,0,0|1,0,1]=4 2069 B10R0.4 CC#CCSCCOC(=O)C 62a_100000748600_100009814007 [0,1,1,0,0,0|0,1,1]=4 2070 B10R0.4 CC#CCSCCOC(=O)C 62a_100009814007_100000748600 [0,1,1,0,0,0|0,1,1]=4 2071 B10R0.4 CC(=CCCOCCCBr)C 34a_100011217188_100011217483 [0,1,1,0,0,0|2,0,0]=4 2072 B10R0.4 CC(=CCCOCCCCl)C 34a_100000230001_100011217483 [0,1,1,0,0,0|2,0,0]=4 2073 B10R0.4 CC(=CCCOCCCF)C 34a_100000759539_100011217483 [0,1,1,0,0,0|2,0,0]=4 2074 B10R0.4 CC(=CCCOCCCN)C 34a_100000182051_100011217483 [0,1,1,0,0,0|2,0,0]=4 2075 B10R0.4 CC(=CCCSCCCO)C 62a_100011215043_100011217483 [0,1,1,0,0,0|2,0,0]=4 2076 B10R0.4 CC(=CCCSCCCO)C 62a_100011217483_100011215043 [0,1,1,0,0,0|2,0,0]=4 2077 B10R0.4 CC(=CCNCCCCO)C 2230a_100000750430_100000761012 [0,1,1,0,0,0|2,0,0]=4 2078 B10R0.4 CC(=CCNCCCCO)C 34a_100000718196_100011216708 [0,1,1,0,0,0|2,0,0]=4 2079 B10R0.4 CC(=CCNCCCCO)C 34a_100000750430_100000761012 [0,1,1,0,0,0|2,0,0]=4 2080 B10R0.4 CC(=CCOCCCCO)C 34a_100000753907_100011216708 [0,1,1,0,0,0|2,0,0]=4 2081 B10R0.4 CC(=CCSCCCCO)C 62a_100000210776_100000761012 [0,1,1,0,0,0|2,0,0]=4 2082 B10R0.4 CC(=CCSCCCCO)C 62a_100000761012_100000210776 [0,1,1,0,0,0|2,0,0]=4 2083 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,1,1,0,0,0|2,0,0]=4 2084 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,1,0,0,0|1,0,0]=3 2085 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,1,0,0,0|1,0,0]=3 2086 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,1,1,0,0,0|2,0,0]=4 2087 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,1,1,0,0,0|1,0,0]=3 2088 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,1,1,0,0,0|2,0,0]=4 2089 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,1,1,0,0,0|2,0,0]=4 2090 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,1,1,0,0,0|2,0,0]=4 2091 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,1,1,0,0,0|2,0,0]=4 2092 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,1,1,0,0,0|1,0,0]=3 2093 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,1,1,0,0,0|1,0,0]=3 2094 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,1,1,0,0,0|2,0,0]=4 2095 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [0,1,1,0,0,0|1,0,1]=4 2096 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,1,1,0,0,0|1,0,0]=3 2097 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,1,1,0,0,0|1,0,0]=3 2098 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,1,1,0,0,0|1,0,0]=3 2099 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,1,1,0,0,0|1,0,0]=3 2100 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,1,1,0,0,0|1,0,0]=3 2101 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,1,1,0,0,0|1,0,0]=3 2102 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,1,1,0,0,0|1,0,0]=3 2103 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,1,1,0,0,0|1,0,0]=3 2104 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [0,1,1,0,0,0|2,0,0]=4 2105 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,1,1,0,0,0|1,1,0]=4 2106 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,1,1,0,0,0|1,1,0]=4 2107 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,1,1,0,0,0|1,0,0]=3 2108 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,1,1,0,0,0|1,0,0]=3 2109 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,1,1,0,0,0|2,0,0]=4 2110 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,1,1,0,0,0|2,0,0]=4 2111 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,1,1,0,0,0|2,0,0]=4 2112 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,1,1,0,0,0|2,0,0]=4 2113 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,1,1,0,0,0|1,0,0]=3 2114 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,1,1,0,0,0|1,0,0]=3 2115 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,1,1,0,0,0|2,0,0]=4 2116 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,1,1,0,0,0|2,0,0]=4 2117 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,1,1,0,0,0|1,0,0]=3 2118 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,1,1,0,0,0|1,0,0]=3 2119 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,1,1,0,0,0|1,0,0]=3 2120 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,1,1,0,0,0|0,0,0]=2 2121 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,1,1,0,0,0|1,0,0]=3 2122 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,1,1,0,0,0|1,0,0]=3 2123 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [0,1,1,0,0,0|2,0,0]=4 2124 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [0,1,1,0,0,0|2,0,0]=4 2125 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [0,1,1,0,0,0|2,0,0]=4 2126 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [0,1,1,0,0,0|2,0,0]=4 2127 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,1,1,0,0,0|1,0,0]=3 2128 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,1,1,0,0,0|1,0,0]=3 2129 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,1,1,0,0,0|2,0,0]=4 2130 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,1,1,0,0,0|2,0,0]=4 2131 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [0,1,1,0,0,0|2,0,0]=4 2132 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,1,1,0,0,0|2,0,0]=4 2133 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,1,1,0,0,0|1,0,0]=3 2134 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,1,1,0,0,0|2,0,0]=4 2135 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,1,1,0,0,0|1,0,0]=3 2136 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,1,1,0,0,0|2,0,0]=4 2137 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,1,1,0,0,0|2,0,0]=4 2138 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,1,1,0,0,0|1,0,0]=3 2139 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,1,1,0,0,0|1,0,0]=3 2140 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,1,1,0,0,0|1,0,0]=3 2141 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,1,1,0,0,0|1,1,0]=4 2142 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,1,1,0,0,0|1,1,0]=4 2143 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,1,1,0,0,0|1,0,0]=3 2144 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,1,1,0,0,0|1,0,0]=3 2145 B10R0.4 CC(=O)NN=CCCCCO 4a_100000189765_100000031955 [0,1,1,0,0,0|1,0,1]=4 2146 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,1,1,0,0,0|0,1,0]=3 2147 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,1,1,0,0,0|0,1,0]=3 2148 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,1,1,0,0,0|1,0,0]=3 2149 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,1,1,0,0,0|1,0,0]=3 2150 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,1,1,0,0,0|1,0,0]=3 2151 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,1,1,0,0,0|1,0,0]=3 2152 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,1,1,0,0,0|1,0,0]=3 2153 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,1,1,0,0,0|0,0,0]=2 2154 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,1,1,0,0,0|1,0,0]=3 2155 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,1,1,0,0,0|1,0,0]=3 2156 B10R0.4 CC(=O)OCCCSCC#N 62a_100000042594_100011215382 [0,1,1,0,0,0|1,0,1]=4 2157 B10R0.4 CC(=O)OCCCSCC#N 62a_100011215382_100000042594 [0,1,1,0,0,0|1,0,1]=4 2158 B10R0.4 CC(=O)OCCCSCC=O 62a_100000042594_200015260668 [0,1,1,0,0,0|0,0,2]=4 2159 B10R0.4 CC(=O)OCCCSCC=O 62a_200015260668_100000042594 [0,1,1,0,0,0|0,0,2]=4 2160 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,1,1,0,0,0|1,0,0]=3 2161 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,1,1,0,0,0|1,0,0]=3 2162 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,1,1,0,0,0|0,0,0]=2 2163 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,1,1,0,0,0|0,0,0]=2 2164 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,1,1,0,0,0|1,0,0]=3 2165 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,1,1,0,0,0|0,0,0]=2 2166 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,1,1,0,0,0|0,0,0]=2 2167 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,1,1,0,0,0|0,0,0]=2 2168 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,1,1,0,0,0|0,0,0]=2 2169 B10R0.4 CC(=O)OCCOCCON 34a_100000700252_100009814007 [0,1,1,0,0,0|1,0,0]=3 2170 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,1,1,0,0,0|0,0,0]=2 2171 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,1,1,0,0,0|0,0,0]=2 2172 B10R0.4 CC(=O)OCCOCSCF 62a_100000076355_100015361967 [0,1,1,0,0,0|1,0,0]=3 2173 B10R0.4 CC(=O)OCCOCSCF 62a_100015361967_100000076355 [0,1,1,0,0,0|1,0,0]=3 2174 B10R0.4 CC(=O)OCCSCCC#N 62a_100009814007_100011215226 [0,1,1,0,0,0|0,1,1]=4 2175 B10R0.4 CC(=O)OCCSCCC#N 62a_100011215226_100009814007 [0,1,1,0,0,0|0,1,1]=4 2176 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,1,1,0,0,0|0,1,0]=3 2177 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,1,1,0,0,0|0,1,0]=3 2178 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,1,1,0,0,0|0,0,0]=2 2179 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,1,1,0,0,0|0,0,0]=2 2180 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,1,1,0,0,0|0,0,0]=2 2181 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,1,1,0,0,0|1,0,0]=3 2182 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,1,1,0,0,0|1,0,0]=3 2183 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,1,1,0,0,0|1,0,0]=3 2184 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,1,1,0,0,0|1,0,0]=3 2185 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,1,1,0,0,0|1,0,0]=3 2186 B10R0.4 CC(=O)OCSCC#CCO 62a_100000076356_200000047223 [0,1,1,0,0,0|0,0,2]=4 2187 B10R0.4 CC(=O)OCSCC#CCO 62a_200000047223_100000076356 [0,1,1,0,0,0|0,0,2]=4 2188 B10R0.4 CC(=O)OCSCCCC#N 62a_100000076356_100000687738 [0,1,1,0,0,0|1,0,1]=4 2189 B10R0.4 CC(=O)OCSCCCC#N 62a_100000687738_100000076356 [0,1,1,0,0,0|1,0,1]=4 2190 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [0,1,1,0,0,0|0,0,2]=4 2191 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [0,1,1,0,0,0|0,0,2]=4 2192 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,1,1,0,0,0|1,0,0]=3 2193 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,1,1,0,0,0|1,0,0]=3 2194 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,1,1,0,0,0|0,0,0]=2 2195 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,1,1,0,0,0|0,0,0]=2 2196 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [0,1,1,0,0,0|1,1,0]=4 2197 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [0,1,1,0,0,0|1,1,0]=4 2198 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,1,1,0,0,0|1,1,0]=4 2199 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,1,1,0,0,0|0,1,0]=3 2200 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,1,1,0,0,0|0,1,0]=3 2201 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,1,1,0,0,0|1,1,0]=4 2202 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,1,1,0,0,0|1,1,0]=4 2203 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,1,1,0,0,0|1,1,0]=4 2204 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,1,1,0,0,0|1,1,0]=4 2205 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,1,1,0,0,0|0,1,0]=3 2206 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,1,1,0,0,0|0,1,0]=3 2207 B10R0.4 CC(=S)OCCCNCCF 34a_100000724931_200135323944 [0,1,1,0,0,0|1,1,0]=4 2208 B10R0.4 CC(=S)OCCCNCCO 2230a_100016997473_200135323944 [0,1,1,0,0,0|0,1,0]=3 2209 B10R0.4 CC(=S)OCCCNCCO 34a_100016990907_200135323944 [0,1,1,0,0,0|0,1,0]=3 2210 B10R0.4 CC(=S)OCCCOCCBr 34a_100000211926_200135323944 [0,1,1,0,0,0|1,1,0]=4 2211 B10R0.4 CC(=S)OCCCOCCN 34a_100000210304_200135323944 [0,1,1,0,0,0|1,1,0]=4 2212 B10R0.4 CC(=S)OCCCSCCF 62a_100011217306_200135323944 [0,1,1,0,0,0|1,1,0]=4 2213 B10R0.4 CC(=S)OCCCSCCF 62a_200135323944_100011217306 [0,1,1,0,0,0|1,1,0]=4 2214 B10R0.4 CC(=S)OCCCSCCO 62a_100000211926_200135323944 [0,1,1,0,0,0|0,1,0]=3 2215 B10R0.4 CC(=S)OCCCSCCO 62a_200135323944_100000211926 [0,1,1,0,0,0|0,1,0]=3 2216 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [0,1,1,0,0,0|1,0,1]=4 2217 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [0,1,1,0,0,0|1,0,1]=4 2218 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [0,1,1,0,0,0|1,0,1]=4 2219 B10R0.4 CC(C)OCCCNCCO 2230a_100000737246_100000211926 [0,1,1,0,0,0|1,0,1]=4 2220 B10R0.4 CC(C)OCCCNCCO 34a_100000737246_100000211926 [0,1,1,0,0,0|1,0,1]=4 2221 B10R0.4 CC(C)OCCNCCCO 2230a_100000701111_100000230001 [0,1,1,0,0,0|1,0,1]=4 2222 B10R0.4 CC(C)OCCNCCCO 34a_100000701111_100000230001 [0,1,1,0,0,0|1,0,1]=4 2223 B10R0.4 CC(C)OCCOCCCBr 34a_100011217188_100000211751 [0,1,1,0,0,0|1,0,1]=4 2224 B10R0.4 CC(C)OCCOCCCCl 34a_100000230001_100000211751 [0,1,1,0,0,0|1,0,1]=4 2225 B10R0.4 CC(C)OCCOCCCF 34a_100000211219_100011934791 [0,1,1,0,0,0|1,0,1]=4 2226 B10R0.4 CC(C)OCCOCCCF 34a_100000759539_100000211751 [0,1,1,0,0,0|1,0,1]=4 2227 B10R0.4 CC(C)OCCOCCCF 7a_100000211219_100011934791 [0,1,1,0,0,0|1,0,1]=4 2228 B10R0.4 CC(C)OCCOCCCN 34a_100000182051_100000211751 [0,1,1,0,0,0|1,0,1]=4 2229 B10R0.4 CC(C)OCCOCCCO 34a_100000211219_100000230001 [0,1,1,0,0,0|1,0,1]=4 2230 B10R0.4 CC(C)OCCOCCCO 7a_100000211219_100011215043 [0,1,1,0,0,0|1,0,1]=4 2231 B10R0.4 CC(C)OCCSCCCO 62a_100000211751_100011215043 [0,1,1,0,0,0|1,0,1]=4 2232 B10R0.4 CC(C)OCCSCCCO 62a_100011215043_100000211751 [0,1,1,0,0,0|1,0,1]=4 2233 B10R0.4 CC(C)OCNCCCCO 2230a_100000750430_100000709892 [0,1,1,0,0,0|1,0,1]=4 2234 B10R0.4 CC(C)OCNCCCCO 34a_100000750430_100000709892 [0,1,1,0,0,0|1,0,1]=4 2235 B10R0.4 CC(C)OCSCCCCO 62a_100000210776_100000709892 [0,1,1,0,0,0|1,0,1]=4 2236 B10R0.4 CC(C)OCSCCCCO 62a_100000709892_100000210776 [0,1,1,0,0,0|1,0,1]=4 2237 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [0,1,1,0,0,0|1,0,1]=4 2238 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,1,1,0,0,0|1,0,1]=4 2239 B10R0.4 CC/C=C\COCOC(=O)C 34a_100016268518_100009813279 [0,1,1,0,0,0|1,0,1]=4 2240 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100000076356_100103147603 [0,1,1,0,0,0|1,0,1]=4 2241 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100103147603_100000076356 [0,1,1,0,0,0|1,0,1]=4 2242 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,1,1,0,0,0|1,0,1]=4 2243 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,1,1,0,0,0|1,0,1]=4 2244 B10R0.4 CC=CCOCCNC(=O)C 34a_100000158858_100000070051 [0,1,1,0,0,0|1,0,1]=4 2245 B10R0.4 CC=CCOCCOC(=O)N 7a_100000766696_100000070051 [0,1,1,0,0,0|1,0,1]=4 2246 B10R0.4 CC=CCSCCOC(=O)C 62a_100000070051_100009814007 [0,1,1,0,0,0|0,1,1]=4 2247 B10R0.4 CC=CCSCCOC(=O)C 62a_100009814007_100000070051 [0,1,1,0,0,0|0,1,1]=4 2248 B10R0.4 CCC#CCOCOC(=O)C 34a_100000032950_100009813279 [0,1,1,0,0,0|1,0,1]=4 2249 B10R0.4 CCC#CCSCOC(=O)C 62a_100000076356_100009813939 [0,1,1,0,0,0|1,0,1]=4 2250 B10R0.4 CCC#CCSCOC(=O)C 62a_100009813939_100000076356 [0,1,1,0,0,0|1,0,1]=4 2251 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,1,1,0,0,0|2,0,0]=4 2252 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,1,1,0,0,0|2,0,0]=4 2253 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,1,1,0,0,0|2,0,0]=4 2254 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,1,1,0,0,0|2,0,0]=4 2255 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,1,1,0,0,0|2,0,0]=4 2256 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,1,1,0,0,0|2,0,0]=4 2257 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,1,1,0,0,0|2,0,0]=4 2258 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,1,1,0,0,0|2,0,0]=4 2259 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,1,1,0,0,0|2,0,0]=4 2260 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,1,1,0,0,0|1,0,0]=3 2261 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,1,1,0,0,0|2,0,0]=4 2262 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,1,1,0,0,0|2,0,0]=4 2263 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,1,1,0,0,0|2,0,0]=4 2264 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,1,1,0,0,0|2,0,0]=4 2265 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,1,1,0,0,0|2,0,0]=4 2266 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,1,1,0,0,0|2,0,0]=4 2267 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,1,1,0,0,0|1,0,0]=3 2268 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,1,1,0,0,0|2,0,0]=4 2269 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,1,1,0,0,0|2,0,0]=4 2270 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,1,1,0,0,0|1,0,0]=3 2271 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,1,1,0,0,0|1,0,0]=3 2272 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,1,1,0,0,0|2,0,0]=4 2273 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,1,1,0,0,0|2,0,0]=4 2274 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,1,1,0,0,0|2,0,0]=4 2275 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,1,1,0,0,0|2,0,0]=4 2276 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,1,1,0,0,0|1,0,0]=3 2277 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,1,1,0,0,0|2,0,0]=4 2278 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,1,1,0,0,0|2,0,0]=4 2279 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,1,1,0,0,0|2,0,0]=4 2280 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,1,1,0,0,0|1,0,0]=3 2281 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,1,1,0,0,0|1,0,0]=3 2282 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,1,1,0,0,0|1,0,0]=3 2283 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,1,1,0,0,0|1,0,0]=3 2284 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,1,1,0,0,0|2,0,0]=4 2285 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,1,1,0,0,0|2,0,0]=4 2286 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,1,1,0,0,0|1,0,0]=3 2287 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,1,1,0,0,0|1,0,0]=3 2288 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,1,1,0,0,0|2,0,0]=4 2289 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,1,1,0,0,0|2,0,0]=4 2290 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,1,1,0,0,0|0,0,0]=2 2291 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,1,1,0,0,0|0,0,0]=2 2292 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,1,1,0,0,0|1,0,0]=3 2293 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,1,1,0,0,0|1,0,0]=3 2294 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,1,1,0,0,0|1,0,0]=3 2295 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [0,1,1,0,0,0|1,0,1]=4 2296 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [0,1,1,0,0,0|1,0,1]=4 2297 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [0,1,1,0,0,0|1,0,1]=4 2298 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [0,1,1,0,0,0|1,0,1]=4 2299 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [0,1,1,0,0,0|1,0,1]=4 2300 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [0,1,1,0,0,0|1,0,1]=4 2301 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [0,1,1,0,0,0|1,0,1]=4 2302 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,1,1,0,0,0|2,0,0]=4 2303 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,1,1,0,0,0|1,1,0]=4 2304 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,1,1,0,0,0|1,1,0]=4 2305 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,1,1,0,0,0|1,1,0]=4 2306 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,1,1,0,0,0|1,1,0]=4 2307 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,1,1,0,0,0|1,1,0]=4 2308 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,1,1,0,0,0|1,1,0]=4 2309 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,1,1,0,0,0|1,1,0]=4 2310 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,1,1,0,0,0|1,1,0]=4 2311 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,1,1,0,0,0|0,1,0]=3 2312 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,1,1,0,0,0|0,1,0]=3 2313 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,1,1,0,0,0|1,1,0]=4 2314 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,1,1,0,0,0|1,1,0]=4 2315 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,1,1,0,0,0|2,0,0]=4 2316 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,1,1,0,0,0|2,0,0]=4 2317 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,1,1,0,0,0|1,0,0]=3 2318 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,1,1,0,0,0|2,0,0]=4 2319 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,1,1,0,0,0|2,0,0]=4 2320 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,1,1,0,0,0|1,0,0]=3 2321 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,1,1,0,0,0|1,0,0]=3 2322 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,1,1,0,0,0|1,0,0]=3 2323 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,1,1,0,0,0|1,0,0]=3 2324 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,1,1,0,0,0|0,0,0]=2 2325 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,1,1,0,0,0|0,1,0]=3 2326 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,1,1,0,0,0|0,1,0]=3 2327 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,1,1,0,0,0|2,0,0]=4 2328 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,1,1,0,0,0|2,0,0]=4 2329 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,1,1,0,0,0|2,0,0]=4 2330 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,1,1,0,0,0|2,0,0]=4 2331 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,1,1,0,0,0|2,0,0]=4 2332 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,1,1,0,0,0|0,0,0]=2 2333 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,1,1,0,0,0|1,0,0]=3 2334 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,1,1,0,0,0|1,0,0]=3 2335 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,1,1,0,0,0|1,0,0]=3 2336 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,1,1,0,0,0|1,0,0]=3 2337 B10R0.4 CCCOCCOCC(C)Br 34a_100012180447_100011215938 [0,1,1,0,0,0|1,0,1]=4 2338 B10R0.4 CCCOCCOCC(C)C 34a_100000210257_100011215938 [0,1,1,0,0,0|1,0,1]=4 2339 B10R0.4 CCCOCCOCC(C)C 34a_100000703358_100000210303 [0,1,1,0,0,0|1,0,1]=4 2340 B10R0.4 CCCOCCOCC(C)C 34a_100000752267_100000210624 [0,1,1,0,0,0|1,0,1]=4 2341 B10R0.4 CCCOCCOCC(C)C 7a_100000703358_100000210303 [0,1,1,0,0,0|1,0,1]=4 2342 B10R0.4 CCCOCCOCC(C)C 7a_100000752267_100000210760 [0,1,1,0,0,0|1,0,1]=4 2343 B10R0.4 CCCOCCOCC(C)F 34a_100015925927_100011215938 [0,1,1,0,0,0|1,0,1]=4 2344 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [0,1,1,0,0,0|0,0,2]=4 2345 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [0,1,1,0,0,0|0,0,2]=4 2346 B10R0.4 CCCOCCOC[C@@H](C)Cl 34a_100016084084_100011215938 [0,1,1,0,0,0|1,0,1]=4 2347 B10R0.4 CCCOCCOC[C@@H](C)N 34a_100000737577_100011215938 [0,1,1,0,0,0|1,0,1]=4 2348 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [0,1,1,0,0,0|0,0,2]=4 2349 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [0,1,1,0,0,0|0,0,2]=4 2350 B10R0.4 CCCOCCOC[N+](=O)[O-] 34a_100000752267_100000761209 [0,1,1,0,0,0|2,0,0]=4 2351 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,1,1,0,0,0|1,1,0]=4 2352 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,1,1,0,0,0|1,1,0]=4 2353 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,1,1,0,0,0|1,1,0]=4 2354 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,1,1,0,0,0|1,1,0]=4 2355 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,1,1,0,0,0|1,1,0]=4 2356 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,1,1,0,0,0|1,1,0]=4 2357 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,1,1,0,0,0|0,1,0]=3 2358 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,1,1,0,0,0|0,1,0]=3 2359 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,1,1,0,0,0|0,2,0]=4 2360 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,1,1,0,0,0|0,2,0]=4 2361 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,1,1,0,0,0|0,2,0]=4 2362 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,1,1,0,0,0|0,2,0]=4 2363 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,1,1,0,0,0|1,1,0]=4 2364 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,1,1,0,0,0|1,1,0]=4 2365 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,1,1,0,0,0|1,1,0]=4 2366 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,1,1,0,0,0|1,1,0]=4 2367 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,1,1,0,0,0|1,1,0]=4 2368 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,1,1,0,0,0|2,0,0]=4 2369 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,1,1,0,0,0|2,0,0]=4 2370 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,1,1,0,0,0|1,1,0]=4 2371 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,1,1,0,0,0|1,0,0]=3 2372 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,1,1,0,0,0|1,0,0]=3 2373 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,1,1,0,0,0|1,0,0]=3 2374 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,1,1,0,0,0|1,1,0]=4 2375 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,1,1,0,0,0|2,0,0]=4 2376 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,1,1,0,0,0|2,0,0]=4 2377 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,1,1,0,0,0|2,0,0]=4 2378 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,1,1,0,0,0|2,0,0]=4 2379 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,1,1,0,0,0|2,0,0]=4 2380 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,1,1,0,0,0|0,0,0]=2 2381 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,1,1,0,0,0|1,1,0]=4 2382 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,1,1,0,0,0|1,1,0]=4 2383 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [0,1,1,0,0,0|1,1,0]=4 2384 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [0,1,1,0,0,0|1,1,0]=4 2385 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,1,1,0,0,0|0,1,0]=3 2386 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,1,1,0,0,0|0,1,0]=3 2387 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [0,1,1,0,0,0|1,1,0]=4 2388 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [0,1,1,0,0,0|1,1,0]=4 2389 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,1,1,0,0,0|1,0,0]=3 2390 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,1,1,0,0,0|1,0,0]=3 2391 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,1,1,0,0,0|1,1,0]=4 2392 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,1,1,0,0,0|1,1,0]=4 2393 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,1,1,0,0,0|2,0,0]=4 2394 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,1,1,0,0,0|2,0,0]=4 2395 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,1,1,0,0,0|2,0,0]=4 2396 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,1,1,0,0,0|0,0,0]=2 2397 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,1,1,0,0,0|0,0,0]=2 2398 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,1,1,0,0,0|2,0,0]=4 2399 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,1,1,0,0,0|2,0,0]=4 2400 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,1,1,0,0,0|1,0,0]=3 2401 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,1,1,0,0,0|1,0,0]=3 2402 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,1,1,0,0,0|1,0,0]=3 2403 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,1,1,0,0,0|2,0,0]=4 2404 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,1,1,0,0,0|0,0,0]=2 2405 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,1,1,0,0,0|0,0,0]=2 2406 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,1,1,0,0,0|0,0,0]=2 2407 B10R0.4 CNCCOCCOC(C)C 34a_100000228057_100000210206 [0,1,1,0,0,0|1,0,1]=4 2408 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,1,1,0,0,0|1,0,0]=3 2409 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,1,1,0,0,0|1,0,0]=3 2410 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,1,1,0,0,0|1,0,0]=3 2411 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,1,1,0,0,0|1,0,0]=3 2412 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,1,1,0,0,0|1,0,0]=3 2413 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,1,1,0,0,0|0,0,0]=2 2414 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,1,1,0,0,0|2,0,0]=4 2415 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,1,1,0,0,0|1,0,0]=3 2416 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,1,1,0,0,0|2,0,0]=4 2417 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,1,1,0,0,0|2,0,0]=4 2418 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,1,1,0,0,0|1,0,0]=3 2419 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,1,1,0,0,0|2,0,0]=4 2420 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,1,1,0,0,0|2,0,0]=4 2421 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,1,1,0,0,0|1,0,0]=3 2422 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,1,1,0,0,0|1,0,0]=3 2423 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,1,1,0,0,0|2,0,0]=4 2424 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,1,1,0,0,0|2,0,0]=4 2425 B10R0.4 COCCOCCC=C(C)C 34a_100000210237_100011217483 [0,1,1,0,0,0|2,0,0]=4 2426 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,1,1,0,0,0|1,0,0]=3 2427 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,1,1,0,0,0|1,0,0]=3 2428 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,1,1,0,0,0|1,0,0]=3 2429 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,1,1,0,0,0|1,0,0]=3 2430 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,1,1,0,0,0|2,0,0]=4 2431 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,1,1,0,0,0|1,0,0]=3 2432 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,1,1,0,0,0|1,0,0]=3 2433 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,1,1,0,0,0|1,0,0]=3 2434 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,1,1,0,0,0|1,0,0]=3 2435 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,1,1,0,0,0|1,0,0]=3 2436 B10R0.4 COCCOCCNC(=O)N 34a_100000181757_100011201679 [0,1,1,0,0,0|2,0,0]=4 2437 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,1,1,0,0,0|0,0,0]=2 2438 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,1,1,0,0,0|0,0,0]=2 2439 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [0,1,1,0,0,0|1,0,0]=3 2440 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [0,1,1,0,0,0|1,0,0]=3 2441 B10R0.4 COCCOCCOC(C)C 34a_100000210237_100000211751 [0,1,1,0,0,0|1,0,1]=4 2442 B10R0.4 COCCOCCOC(C)C 34a_100000211219_100011201679 [0,1,1,0,0,0|1,0,1]=4 2443 B10R0.4 COCCOCCOC(C)C 34a_100000212225_100000695917 [0,1,1,0,0,0|1,0,1]=4 2444 B10R0.4 COCCOCCOC(C)C 34a_100011215163_100000210206 [0,1,1,0,0,0|1,0,1]=4 2445 B10R0.4 COCCOCCOC(C)C 7a_100000211219_100000233755 [0,1,1,0,0,0|1,0,1]=4 2446 B10R0.4 COCCOCCOC(C)C 7a_100011215163_100000210206 [0,1,1,0,0,0|1,0,1]=4 2447 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,1,1,0,0,0|1,1,0]=4 2448 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,1,1,0,0,0|1,1,0]=4 2449 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,1,1,0,0,0|1,1,0]=4 2450 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,1,1,0,0,0|1,1,0]=4 2451 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,1,1,0,0,0|0,1,0]=3 2452 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,1,1,0,0,0|0,1,0]=3 2453 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [0,1,1,0,0,0|1,1,0]=4 2454 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [0,1,1,0,0,0|1,1,0]=4 2455 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,1,1,0,0,0|2,0,0]=4 2456 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,1,1,0,0,0|2,0,0]=4 2457 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,1,1,0,0,0|1,0,0]=3 2458 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,1,1,0,0,0|1,0,0]=3 2459 B10R0.4 COCSCCCOC(=S)C 62a_100000766300_200135323944 [0,1,1,0,0,0|1,1,0]=4 2460 B10R0.4 COCSCCCOC(=S)C 62a_200135323944_100000766300 [0,1,1,0,0,0|1,1,0]=4 2461 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [0,1,1,0,0,0|1,1,0]=4 2462 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [0,1,1,0,0,0|1,1,0]=4 2463 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,1,1,0,0,0|2,0,0]=4 2464 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,1,1,0,0,0|0,1,0]=3 2465 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,1,1,0,0,0|0,1,0]=3 2466 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,1,1,0,0,0|1,1,0]=4 2467 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,1,1,0,0,0|2,0,0]=4 2468 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,1,1,0,0,0|2,0,0]=4 2469 B10R0.4 CSCCOCCC=C(C)C 34a_100000230434_100011217483 [0,1,1,0,0,0|2,0,0]=4 2470 B10R0.4 CSCCOCCC=C(C)C 7a_100000230434_100011217483 [0,1,1,0,0,0|2,0,0]=4 2471 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,1,1,0,0,0|1,0,0]=3 2472 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,1,1,0,0,0|1,0,0]=3 2473 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,1,1,0,0,0|1,0,0]=3 2474 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,1,1,0,0,0|1,0,0]=3 2475 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,1,1,0,0,0|2,0,0]=4 2476 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,1,1,0,0,0|2,0,0]=4 2477 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,1,1,0,0,0|1,0,0]=3 2478 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,1,1,0,0,0|1,0,0]=3 2479 B10R0.4 CSCCOCCNC(=O)N 34a_100000181757_100000212216 [0,1,1,0,0,0|2,0,0]=4 2480 B10R0.4 CSCCOCCNC(=O)N 7a_100000230434_200000034859 [0,1,1,0,0,0|2,0,0]=4 2481 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,1,1,0,0,0|0,0,0]=2 2482 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,1,1,0,0,0|0,0,0]=2 2483 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,1,1,0,0,0|0,0,0]=2 2484 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,1,1,0,0,0|0,0,0]=2 2485 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [0,1,1,0,0,0|1,0,0]=3 2486 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [0,1,1,0,0,0|1,0,0]=3 2487 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [0,1,1,0,0,0|1,0,0]=3 2488 B10R0.4 CSCCOCCOC(C)C 34a_100000211219_100000212216 [0,1,1,0,0,0|1,0,1]=4 2489 B10R0.4 CSCCOCCOC(C)C 34a_100000230434_100000211751 [0,1,1,0,0,0|1,0,1]=4 2490 B10R0.4 CSCCOCCOC(C)C 7a_100000211219_100000212216 [0,1,1,0,0,0|1,0,1]=4 2491 B10R0.4 CSCCOCCOC(C)C 7a_100000230434_100000211751 [0,1,1,0,0,0|1,0,1]=4 2492 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,1,1,0,0,0|1,1,0]=4 2493 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,1,1,0,0,0|1,1,0]=4 2494 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,1,1,0,0,0|1,1,0]=4 2495 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,1,1,0,0,0|1,1,0]=4 2496 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,1,1,0,0,0|0,1,0]=3 2497 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,1,1,0,0,0|0,1,0]=3 2498 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [0,1,1,0,0,0|1,1,0]=4 2499 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [0,1,1,0,0,0|1,1,0]=4 2500 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [0,1,1,0,0,0|2,0,0]=4 2501 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,1,1,0,0,0|1,1,0]=4 2502 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,1,1,0,0,0|1,1,0]=4 2503 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [0,1,1,0,0,0|1,0,1]=4 2504 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [0,1,1,0,0,0|1,0,1]=4 2505 B10R0.4 N#CCCOCCOC(=O)N 7a_100000766696_100000184422 [0,1,1,0,0,0|1,0,1]=4 2506 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,1,1,0,0,0|2,0,0]=4 2507 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,1,1,0,0,0|2,0,0]=4 2508 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,1,1,0,0,0|2,0,0]=4 2509 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,1,1,0,0,0|2,0,0]=4 2510 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,1,1,0,0,0|2,0,0]=4 2511 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,1,1,0,0,0|2,0,0]=4 2512 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,1,1,0,0,0|2,0,0]=4 2513 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,1,1,0,0,0|2,0,0]=4 2514 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,1,1,0,0,0|2,0,0]=4 2515 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,1,1,0,0,0|2,0,0]=4 2516 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,1,1,0,0,0|2,0,0]=4 2517 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,1,1,0,0,0|2,0,0]=4 2518 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,1,1,0,0,0|2,0,0]=4 2519 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,1,1,0,0,0|2,0,0]=4 2520 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,1,1,0,0,0|2,0,0]=4 2521 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,1,1,0,0,0|2,0,0]=4 2522 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,1,1,0,0,0|2,0,0]=4 2523 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,1,1,0,0,0|2,0,0]=4 2524 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,1,1,0,0,0|2,0,0]=4 2525 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,1,1,0,0,0|2,0,0]=4 2526 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,1,1,0,0,0|2,0,0]=4 2527 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,1,1,0,0,0|2,0,0]=4 2528 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,1,1,0,0,0|2,0,0]=4 2529 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,1,1,0,0,0|2,0,0]=4 2530 B10R0.4 NC(=O)COCCNCCO 2230a_100016997473_100000076697 [0,1,1,0,0,0|2,0,0]=4 2531 B10R0.4 NC(=O)COCCNCCO 34a_100016990907_100000076697 [0,1,1,0,0,0|2,0,0]=4 2532 B10R0.4 NC(=O)COCCOCCBr 34a_100000211926_100000076697 [0,1,1,0,0,0|2,0,0]=4 2533 B10R0.4 NC(=O)COCCOCCBr 34a_100000692535_100000187820 [0,1,1,0,0,0|2,0,0]=4 2534 B10R0.4 NC(=O)COCCOCCBr 7a_100000692535_100000187820 [0,1,1,0,0,0|2,0,0]=4 2535 B10R0.4 NC(=O)COCCOCCCl 34a_100011215305_100000187820 [0,1,1,0,0,0|2,0,0]=4 2536 B10R0.4 NC(=O)COCCOCCCl 7a_100011215305_100000187820 [0,1,1,0,0,0|2,0,0]=4 2537 B10R0.4 NC(=O)COCCOCCF 34a_200015357709_100000187820 [0,1,1,0,0,0|2,0,0]=4 2538 B10R0.4 NC(=O)COCCOCCF 7a_200015357709_100000187820 [0,1,1,0,0,0|2,0,0]=4 2539 B10R0.4 NC(=O)COCCOCCI 34a_100012149058_100000187820 [0,1,1,0,0,0|2,0,0]=4 2540 B10R0.4 NC(=O)COCCOCCI 7a_100012149058_100000187820 [0,1,1,0,0,0|2,0,0]=4 2541 B10R0.4 NC(=O)COCCSCCO 62a_100000076697_100000211926 [0,1,1,0,0,0|2,0,0]=4 2542 B10R0.4 NC(=O)COCCSCCO 62a_100000211926_100000076697 [0,1,1,0,0,0|2,0,0]=4 2543 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,1,1,0,0,0|1,1,0]=4 2544 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,1,1,0,0,0|1,1,0]=4 2545 B10R0.4 NC(=O)NCCNCCCO 34a_100020590234_100000230001 [0,1,1,0,0,0|2,0,0]=4 2546 B10R0.4 NC(=O)NCCOCCCF 34a_100000181757_100011934791 [0,1,1,0,0,0|2,0,0]=4 2547 B10R0.4 NC(=O)NCCOCCCO 34a_100000181757_100000230001 [0,1,1,0,0,0|2,0,0]=4 2548 B10R0.4 NC(=O)NCCSCCCO 62a_100011215043_200000034859 [0,1,1,0,0,0|2,0,0]=4 2549 B10R0.4 NC(=O)NCCSCCCO 62a_200000034859_100011215043 [0,1,1,0,0,0|2,0,0]=4 2550 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [0,1,1,0,0,0|2,0,0]=4 2551 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [0,1,1,0,0,0|1,0,0]=3 2552 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [0,1,1,0,0,0|1,0,0]=3 2553 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [0,1,1,0,0,0|1,0,0]=3 2554 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [0,1,1,0,0,0|1,0,0]=3 2555 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [0,1,1,0,0,0|1,0,0]=3 2556 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [0,1,1,0,0,0|1,1,0]=4 2557 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [0,1,1,0,0,0|1,1,0]=4 2558 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [0,1,1,0,0,0|1,0,0]=3 2559 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [0,1,1,0,0,0|1,0,0]=3 2560 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,1,1,0,0,0|2,0,0]=4 2561 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,1,1,0,0,0|2,0,0]=4 2562 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,1,1,0,0,0|2,0,0]=4 2563 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [0,1,1,0,0,0|1,0,0]=3 2564 B10R0.4 NCCOCCOCC(=O)N 34a_100000210304_100000076697 [0,1,1,0,0,0|2,0,0]=4 2565 B10R0.4 NCCOCCOCC(=O)N 34a_100000211614_100000187820 [0,1,1,0,0,0|2,0,0]=4 2566 B10R0.4 NCCOCCOCC(=O)[O-] 34a_100000211614_100020667443 [0,1,1,0,0,0|2,0,0]=4 2567 B10R0.4 NOCCOCCOC(=O)N 34a_100000700252_200011214921 [0,1,1,0,0,0|2,0,0]=4 2568 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,1,1,0,0,0|2,0,0]=4 2569 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [0,1,1,0,0,0|2,0,0]=4 2570 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [0,1,1,0,0,0|2,0,0]=4 2571 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,1,1,0,0,0|2,0,0]=4 2572 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,1,1,0,0,0|2,0,0]=4 2573 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,1,1,0,0,0|2,0,0]=4 2574 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,1,1,0,0,0|2,0,0]=4 2575 B10R0.4 O=C([O-])COCCOCCBr 34a_100000692535_100020667443 [0,1,1,0,0,0|2,0,0]=4 2576 B10R0.4 O=C([O-])COCCOCCCl 34a_100011215305_100020667443 [0,1,1,0,0,0|2,0,0]=4 2577 B10R0.4 O=C([O-])COCCOCCF 34a_200015357709_100020667443 [0,1,1,0,0,0|2,0,0]=4 2578 B10R0.4 O=C([O-])COCCOCCI 34a_100012149058_100020667443 [0,1,1,0,0,0|2,0,0]=4 2579 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,1,1,0,0,0|1,1,0]=4 2580 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,1,1,0,0,0|1,1,0]=4 2581 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,1,0,0,0|1,0,0]=3 2582 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,1,1,0,0,0|1,0,0]=3 2583 B10R0.6 CC(=O)OC(C)SCCCF 62a_100009818208_100011934791 [0,1,1,0,0,0|2,0,0]=4 2584 B10R0.6 CC(=O)OC(C)SCCCF 62a_100011934791_100009818208 [0,1,1,0,0,0|2,0,0]=4 2585 B10R0.6 CC(=O)OC(C)SCCCO 62a_100009818208_100011215043 [0,1,1,0,0,0|1,0,0]=3 2586 B10R0.6 CC(=O)OC(C)SCCCO 62a_100011215043_100009818208 [0,1,1,0,0,0|1,0,0]=3 2587 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,1,1,0,0,0|2,0,0]=4 2588 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,1,1,0,0,0|2,0,0]=4 2589 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,1,1,0,0,0|2,0,0]=4 2590 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,1,1,0,0,0|2,0,0]=4 2591 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,1,1,0,0,0|2,0,0]=4 2592 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,1,1,0,0,0|2,0,0]=4 2593 B10R0.22 CC(C)(C)OCCCCCO 34a_100015890283_100000746330 [0,1,1,0,0,0|1,0,1]=4 2594 B10R0.22 CC(C)(C)OCCCCCO 7a_100015890283_100000746330 [0,1,1,0,0,0|1,0,1]=4 2595 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000210258_100000754308 [0,1,1,0,0,0|2,0,0]=4 2596 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000689940_100000210303 [0,1,1,0,0,0|2,0,0]=4 2597 B10R0.22 CCCOCCCS(=O)(=O)C 7a_100000689940_100000210303 [0,1,1,0,0,0|2,0,0]=4 2598 B10R0.22 CCCOCCNS(=O)(=O)C 40a_100161115042_100000738038 [0,1,1,0,0,0|2,0,0]=4 2599 B10R0.22 CCCOCCOC(C)(C)C 34a_100000693234_100000210303 [0,1,1,0,0,0|1,0,1]=4 2600 B10R0.22 CCCOCCOC(C)(C)C 34a_100000752267_100000210625 [0,1,1,0,0,0|1,0,1]=4 2601 B10R0.22 CCCOCCOC(C)(C)C 34a_100015890283_100011215938 [0,1,1,0,0,0|1,0,1]=4 2602 B10R0.22 CCCOCCOC(C)(C)C 7a_100000693234_100000210303 [0,1,1,0,0,0|1,0,1]=4 2603 B10R0.22 CCCOCCOC(C)(C)C 7a_100015890283_100011215938 [0,1,1,0,0,0|1,0,1]=4 2604 B10R0.22 CCCOCCOS(=O)(=O)C 34a_100000210258_200000036756 [0,1,1,0,0,0|1,0,0]=3 2605 B10R0.22 CCCOCCO[Si](C)(C)C 34a_100000210258_200000032530 [0,1,1,0,0,0|1,1,0]=4 2606 B10R0.22 CCCSCCOS(=O)(=O)C 62a_100000210303_200000036756 [0,1,1,0,0,0|1,1,0]=4 2607 B10R0.22 CCCSCCOS(=O)(=O)C 62a_200000036756_100000210303 [0,1,1,0,0,0|1,1,0]=4 2608 B10R0.22 CS(=O)(=O)NCCCCCO 40a_100000762737_100000738038 [0,1,1,0,0,0|2,0,0]=4 2609 B10R0.22 CS(=O)(=O)OCCNCCO 2230a_100016997473_200000036756 [0,1,1,0,0,0|2,0,0]=4 2610 B10R0.22 CS(=O)(=O)OCCNCCO 34a_100016990907_200000036756 [0,1,1,0,0,0|2,0,0]=4 2611 B10R0.22 CS(=O)(=O)OCCOCCBr 34a_100000211926_200000036756 [0,1,1,0,0,0|2,0,0]=4 2612 B10R0.22 CS(=O)(=O)OCCOCCN 34a_100000210304_200000036756 [0,1,1,0,0,0|2,0,0]=4 2613 B10R0.22 CS(=O)(=O)OCCSCCO 62a_100000211926_200000036756 [0,1,1,0,0,0|2,0,0]=4 2614 B10R0.22 CS(=O)(=O)OCCSCCO 62a_200000036756_100000211926 [0,1,1,0,0,0|2,0,0]=4 2615 B10R0.55 C#C[C@@H](C)OCCOC(=O)C 34a_100009815206_100009814007 [0,1,1,0,0,0|0,0,2]=4 2616 B10R0.55 C#C[C@@H](C)OCCOC(=O)C 7a_100009815206_100009814007 [0,1,1,0,0,0|0,0,2]=4 2617 B10R0.55 C=CC(C)OCCOC(=O)C 34a_100000695699_100009814007 [0,1,1,0,0,0|0,0,2]=4 2618 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,1,1,0,0,0|1,0,1]=4 2619 B10R0.55 CC(=O)CCCOC(C)CF 34a_100016041109_100000685027 [0,1,1,0,0,0|2,0,0]=4 2620 B10R0.55 CC(=O)CCCOC(C)CF 7a_100016041109_100011215641 [0,1,1,0,0,0|2,0,0]=4 2621 B10R0.55 CC(=O)CCCOC(C)CN 34a_100000210904_100000685027 [0,1,1,0,0,0|2,0,0]=4 2622 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [0,1,1,0,0,0|2,0,0]=4 2623 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [0,1,1,0,0,0|2,0,0]=4 2624 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [0,1,1,0,0,0|2,0,0]=4 2625 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [0,1,1,0,0,0|2,0,0]=4 2626 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [0,1,1,0,0,0|2,0,0]=4 2627 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [0,1,1,0,0,0|2,0,0]=4 2628 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [0,1,1,0,0,0|2,0,0]=4 2629 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [0,1,1,0,0,0|2,0,0]=4 2630 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [0,1,1,0,0,0|2,0,0]=4 2631 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [0,1,1,0,0,0|2,0,0]=4 2632 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [0,1,1,0,0,0|2,0,0]=4 2633 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [0,1,1,0,0,0|2,0,0]=4 2634 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [0,1,1,0,0,0|2,0,0]=4 2635 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [0,1,1,0,0,0|2,0,0]=4 2636 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [0,1,1,0,0,0|2,0,0]=4 2637 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [0,1,1,0,0,0|2,0,0]=4 2638 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [0,1,1,0,0,0|2,0,0]=4 2639 B10R0.55 CC(=O)NCCNC(C)CO 2230a_100000209853_100012180447 [0,1,1,0,0,0|2,0,0]=4 2640 B10R0.55 CC(=O)NCCN[C@H](C)CO 2230a_100000737577_100000189650 [0,1,1,0,0,0|2,0,0]=4 2641 B10R0.55 CC(=O)NCCOC(C)CF 7a_100016041109_100000189650 [0,1,1,0,0,0|2,0,0]=4 2642 B10R0.55 CC(=O)NCCOC(C)CO 34a_100000158858_100012180447 [0,1,1,0,0,0|2,0,0]=4 2643 B10R0.55 CC(=O)NCCSC(C)CO 62a_100012180447_100000189650 [0,1,1,0,0,0|2,0,0]=4 2644 B10R0.55 CC(=O)NCCS[C@H](C)CO 62a_100000189650_100016084084 [0,1,1,0,0,0|2,0,0]=4 2645 B10R0.55 CC(=O)NCCS[C@H](C)CO 62a_100016084084_100000189650 [0,1,1,0,0,0|2,0,0]=4 2646 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,1,1,0,0,0|0,0,1]=3 2647 B10R0.55 CC(=O)OCCNC(=O)CO 240690a_100000724843_100000210174 [0,1,1,0,0,0|1,0,1]=4 2648 B10R0.55 CC(=O)OCCNC(=O)CO 527a_100000724843_100000210174 [0,1,1,0,0,0|1,0,1]=4 2649 B10R0.55 CC(=O)OCCOC(C)C#N 34a_100011218135_100009814007 [0,1,1,0,0,0|1,0,1]=4 2650 B10R0.55 CC(=O)OCCOC(C)CF 34a_100016041109_100009814007 [0,1,1,0,0,0|1,0,0]=3 2651 B10R0.55 CC(=O)OCCOC(C)CF 7a_100016041109_100009814007 [0,1,1,0,0,0|1,0,0]=3 2652 B10R0.55 CC(=O)OCCOC(C)CN 34a_100000210904_100009814007 [0,1,1,0,0,0|1,0,0]=3 2653 B10R0.55 CC(=O)OCCSC(C)CO 62a_100012180447_100009814007 [0,1,1,0,0,0|1,0,0]=3 2654 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100009814007_100016084084 [0,1,1,0,0,0|1,0,0]=3 2655 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100016084084_100009814007 [0,1,1,0,0,0|1,0,0]=3 2656 B10R0.55 CC(=O)OCNCC(C)CO 34a_100000744482_100009813279 [0,1,1,0,0,0|1,0,0]=3 2657 B10R0.55 CC(=O)OCNC[C@@H](F)CO 34a_100015665980_100009813279 [0,1,1,0,0,0|1,0,0]=3 2658 B10R0.55 CC(=O)OCOCC(C)CN 34a_100000744482_100009813279 [0,1,1,0,0,0|2,0,0]=4 2659 B10R0.55 CC(=O)OCOCC(Cl)CCl 34a_100000033668_100009813279 [0,1,1,0,0,0|2,0,0]=4 2660 B10R0.55 CC(=O)OCOC[C@H](F)CN 34a_100015665980_100009813279 [0,1,1,0,0,0|2,0,0]=4 2661 B10R0.55 CC(=O)OCSCC(O)CO 62a_100000076356_100011219619 [0,1,1,0,0,0|1,0,0]=3 2662 B10R0.55 CC(=O)OCSCC(O)CO 62a_100011219619_100000076356 [0,1,1,0,0,0|1,0,0]=3 2663 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000076356 [0,1,1,0,0,0|1,0,0]=3 2664 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000076356_100000059175 [0,1,1,0,0,0|1,0,0]=3 2665 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100000076356_100015614560 [0,1,1,0,0,0|2,0,0]=4 2666 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000076356 [0,1,1,0,0,0|2,0,0]=4 2667 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100000076356_100009815848 [0,1,1,0,0,0|1,0,0]=3 2668 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000076356 [0,1,1,0,0,0|1,0,0]=3 2669 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,1,1,0,0,0|0,1,1]=4 2670 B10R0.55 CC(=S)OCCCC(=O)CO 1458a_100000210174_200135323944 [0,1,1,0,0,0|0,1,1]=4 2671 B10R0.55 CC(CF)OCCOC(=O)N 34a_100016041109_200011214921 [0,1,1,0,0,0|2,0,0]=4 2672 B10R0.55 CC(CF)OCCOC(=O)N 7a_100016041109_200011214921 [0,1,1,0,0,0|2,0,0]=4 2673 B10R0.55 CC(CN)OCCOC(=O)N 34a_100000210904_200011214921 [0,1,1,0,0,0|2,0,0]=4 2674 B10R0.55 CC(CO)OCCOC(=O)N 7a_100000766696_100012180447 [0,1,1,0,0,0|2,0,0]=4 2675 B10R0.55 CC(CO)SCCOC(=O)N 62a_100012180447_200011214921 [0,1,1,0,0,0|2,0,0]=4 2676 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,1,1,0,0,0|1,0,1]=4 2677 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,1,1,0,0,0|1,0,1]=4 2678 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,1,1,0,0,0|1,0,1]=4 2679 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,1,1,0,0,0|1,0,1]=4 2680 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,1,1,0,0,0|2,0,0]=4 2681 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,1,1,0,0,0|2,0,0]=4 2682 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,1,1,0,0,0|2,0,0]=4 2683 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,1,1,0,0,0|2,0,0]=4 2684 B10R0.55 CCC(C)OCCC=C(C)C 7a_100000210228_100011217483 [0,1,1,0,0,0|2,0,0]=4 2685 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,1,1,0,0,0|1,0,0]=3 2686 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,1,1,0,0,0|1,0,0]=3 2687 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,1,1,0,0,0|1,0,0]=3 2688 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [0,1,1,0,0,0|2,0,0]=4 2689 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,1,1,0,0,0|1,0,0]=3 2690 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,1,1,0,0,0|1,0,0]=3 2691 B10R0.55 CCC(C)OCCNC(=O)N 34a_100000181757_100011215416 [0,1,1,0,0,0|2,0,0]=4 2692 B10R0.55 CCC(C)OCCNC(=O)N 7a_100000210228_200000034859 [0,1,1,0,0,0|2,0,0]=4 2693 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,1,1,0,0,0|0,0,0]=2 2694 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [0,1,1,0,0,0|1,0,0]=3 2695 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [0,1,1,0,0,0|1,0,0]=3 2696 B10R0.55 CCC(C)OCCOC(C)C 34a_100000211219_100011215416 [0,1,1,0,0,0|1,0,1]=4 2697 B10R0.55 CCC(C)OCCOC(C)C 7a_100000210228_100000211751 [0,1,1,0,0,0|1,0,1]=4 2698 B10R0.55 CCC(C)OCCOC(C)C 7a_100000211219_100000758301 [0,1,1,0,0,0|1,0,1]=4 2699 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,1,1,0,0,0|1,1,0]=4 2700 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,1,1,0,0,0|1,1,0]=4 2701 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,1,1,0,0,0|1,1,0]=4 2702 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,1,1,0,0,0|1,1,0]=4 2703 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,1,1,0,0,0|0,1,0]=3 2704 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,1,1,0,0,0|0,1,0]=3 2705 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [0,1,1,0,0,0|1,1,0]=4 2706 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [0,1,1,0,0,0|1,1,0]=4 2707 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,1,1,0,0,0|2,0,0]=4 2708 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,1,1,0,0,0|2,0,0]=4 2709 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,1,1,0,0,0|2,0,0]=4 2710 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,1,1,0,0,0|2,0,0]=4 2711 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,1,1,0,0,0|2,0,0]=4 2712 B10R0.55 COC(C)SCCOC(=O)C 62a_100009814007_100009879195 [0,1,1,0,0,0|1,1,0]=4 2713 B10R0.55 COC(C)SCCOC(=O)C 62a_100009879195_100009814007 [0,1,1,0,0,0|1,1,0]=4 2714 B10R0.55 C[C@H](CO)SCCOC(=O)N 62a_100016084084_200011214921 [0,1,1,0,0,0|2,0,0]=4 2715 B10R0.55 C[C@H](CO)SCCOC(=O)N 62a_200011214921_100016084084 [0,1,1,0,0,0|2,0,0]=4 2716 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,1,1,0,0,0|1,0,1]=4 2717 B10R0.74 C#CC(C)OCCOCCC 34a_100000752267_200000035995 [0,1,1,0,0,0|1,0,1]=4 2718 B10R0.74 C#CCOCCOC(=O)CC 7a_200000031056_100000038162 [0,1,1,0,0,0|0,0,2]=4 2719 B10R0.74 C#CCOCCOC(=O)NC 34a_100000210247_200011997002 [0,1,1,0,0,0|0,0,2]=4 2720 B10R0.74 C#CCOCCOC(=O)OC 34a_100010262106_100000184674 [0,1,1,0,0,0|0,0,2]=4 2721 B10R0.74 C#C[C@@H](C)OCCCCCO 34a_100009815206_100000746330 [0,1,1,0,0,0|1,0,1]=4 2722 B10R0.74 C#C[C@@H](C)OCCCCCO 7a_100009815206_100000746330 [0,1,1,0,0,0|1,0,1]=4 2723 B10R0.74 C#C[C@@H](C)OCCOCCC 34a_100009815206_100011215938 [0,1,1,0,0,0|1,0,1]=4 2724 B10R0.74 C#C[C@@H](C)OCCOCCC 7a_100009815206_100011215938 [0,1,1,0,0,0|1,0,1]=4 2725 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,1,1,0,0,0|1,0,1]=4 2726 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,1,1,0,0,0|1,0,1]=4 2727 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,1,1,0,0,0|1,0,1]=4 2728 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,1,1,0,0,0|1,0,1]=4 2729 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,1,1,0,0,0|1,0,1]=4 2730 B10R0.74 C=CC(=O)OCCNCCO 2230a_100016997473_100009813456 [0,1,1,0,0,0|1,0,1]=4 2731 B10R0.74 C=CC(=O)OCCNCCO 34a_100016990907_100009813456 [0,1,1,0,0,0|1,0,1]=4 2732 B10R0.74 C=CC(=O)OCCOCCBr 34a_100000211926_100009813456 [0,1,1,0,0,0|1,0,1]=4 2733 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,1,1,0,0,0|0,0,1]=3 2734 B10R0.74 C=CC(=O)OCCOCCN 34a_100000210304_100009813456 [0,1,1,0,0,0|1,0,1]=4 2735 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,1,1,0,0,0|0,1,1]=4 2736 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,1,1,0,0,0|0,1,1]=4 2737 B10R0.74 C=CC(=O)OCCSCCO 62a_100000211926_100009813456 [0,1,1,0,0,0|1,0,1]=4 2738 B10R0.74 C=CC(=O)OCCSCCO 62a_100009813456_100000211926 [0,1,1,0,0,0|1,0,1]=4 2739 B10R0.74 C=CC(C)OCCCCCO 34a_100000695699_100000746330 [0,1,1,0,0,0|1,0,1]=4 2740 B10R0.74 C=CC(C)OCCOCCC 34a_100000695699_100011215938 [0,1,1,0,0,0|1,0,1]=4 2741 B10R0.74 C=CCOCCOC(=O)CC 7a_200000031056_100015514636 [0,1,1,0,0,0|0,0,2]=4 2742 B10R0.74 C=CCOCCOC(=O)NC 34a_200000210373_200011997002 [0,1,1,0,0,0|0,0,2]=4 2743 B10R0.74 C=CCOCCOC(=O)OC 34a_100010262106_100015514636 [0,1,1,0,0,0|0,0,2]=4 2744 B10R0.74 CC(C#N)OCCCCCO 34a_100011218135_100000746330 [0,1,1,0,0,0|1,0,1]=4 2745 B10R0.74 CC(CF)OCCCCCO 34a_100016041109_100000746330 [0,1,1,0,0,0|1,0,1]=4 2746 B10R0.74 CC(CF)OCCCCCO 7a_100016041109_100000746330 [0,1,1,0,0,0|1,0,1]=4 2747 B10R0.74 CC(CN)OCCCCCO 34a_100000210904_100000746330 [0,1,1,0,0,0|1,0,1]=4 2748 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,1,1,0,0,0|2,0,0]=4 2749 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,1,1,0,0,0|1,0,0]=3 2750 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,1,1,0,0,0|1,0,0]=3 2751 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,1,1,0,0,0|2,0,0]=4 2752 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,1,1,0,0,0|2,0,0]=4 2753 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,1,1,0,0,0|2,0,0]=4 2754 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,1,1,0,0,0|1,0,0]=3 2755 B10R0.74 CCC(=O)NCCNCCO 34a_100132302217_100000211926 [0,1,1,0,0,0|2,0,0]=4 2756 B10R0.74 CCC(=O)NCCOCCF 34a_200000158885_100011217306 [0,1,1,0,0,0|2,0,0]=4 2757 B10R0.74 CCC(=O)NCCOCCF 7a_200000158885_100011217306 [0,1,1,0,0,0|2,0,0]=4 2758 B10R0.74 CCC(=O)NCCOCCO 240690a_100000211614_100000210414 [0,1,1,0,0,0|2,0,0]=4 2759 B10R0.74 CCC(=O)NCCOCCO 34a_200000158885_100000211926 [0,1,1,0,0,0|2,0,0]=4 2760 B10R0.74 CCC(=O)NCCOCCO 7a_200000158885_100000211926 [0,1,1,0,0,0|2,0,0]=4 2761 B10R0.74 CCC(=O)NCCOCSC 34a_200000158885_100011218213 [0,1,1,0,0,0|2,0,0]=4 2762 B10R0.74 CCC(=O)NCCSCCO 240690a_100011219999_100000210414 [0,1,1,0,0,0|2,0,0]=4 2763 B10R0.74 CCC(=O)NCCSCCO 527a_100011219999_100000210414 [0,1,1,0,0,0|2,0,0]=4 2764 B10R0.74 CCC(=O)OCCOCC#N 7a_200000031056_100011215382 [0,1,1,0,0,0|1,0,1]=4 2765 B10R0.74 CCC(=O)OCCOCC=O 7a_200000031056_200015260668 [0,1,1,0,0,0|1,0,1]=4 2766 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,1,1,0,0,0|1,0,0]=3 2767 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,1,1,0,0,0|1,0,0]=3 2768 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,1,1,0,0,0|1,0,1]=4 2769 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,1,0,0,0|2,0,0]=4 2770 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,1,0,0,0|2,0,0]=4 2771 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,1,0,0,0|2,0,0]=4 2772 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,1,0,0,0|2,0,0]=4 2773 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,1,1,0,0,0|2,0,0]=4 2774 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,1,1,0,0,0|2,0,0]=4 2775 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,1,1,0,0,0|2,0,0]=4 2776 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,1,1,0,0,0|2,0,0]=4 2777 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,1,1,0,0,0|2,0,0]=4 2778 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,1,1,0,0,0|2,0,0]=4 2779 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,1,1,0,0,0|2,0,0]=4 2780 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,1,1,0,0,0|2,0,0]=4 2781 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,1,1,0,0,0|2,0,0]=4 2782 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,1,1,0,0,0|2,0,0]=4 2783 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,1,1,0,0,0|2,0,0]=4 2784 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,1,1,0,0,0|2,0,0]=4 2785 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,1,1,0,0,0|2,0,0]=4 2786 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,1,1,0,0,0|2,0,0]=4 2787 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,1,1,0,0,0|2,0,0]=4 2788 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,1,1,0,0,0|2,0,0]=4 2789 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,1,1,0,0,0|2,0,0]=4 2790 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,1,1,0,0,0|2,0,0]=4 2791 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,1,1,0,0,0|2,0,0]=4 2792 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,1,1,0,0,0|2,0,0]=4 2793 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,1,1,0,0,0|2,0,0]=4 2794 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,1,1,0,0,0|1,0,1]=4 2795 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,1,1,0,0,0|1,0,0]=3 2796 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,1,1,0,0,0|2,0,0]=4 2797 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,1,1,0,0,0|1,0,0]=3 2798 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,1,1,0,0,0|1,0,0]=3 2799 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,1,1,0,0,0|1,0,0]=3 2800 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,1,1,0,0,0|1,0,0]=3 2801 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,1,1,0,0,0|1,0,0]=3 2802 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,1,1,0,0,0|1,0,0]=3 2803 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,1,1,0,0,0|1,0,0]=3 2804 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,1,1,0,0,0|1,0,0]=3 2805 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,1,1,0,0,0|1,0,0]=3 2806 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,1,1,0,0,0|1,0,0]=3 2807 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,1,1,0,0,0|1,0,0]=3 2808 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,1,1,0,0,0|1,0,0]=3 2809 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,1,1,0,0,0|1,0,0]=3 2810 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,1,1,0,0,0|1,0,0]=3 2811 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,1,1,0,0,0|1,0,0]=3 2812 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,1,1,0,0,0|0,0,0]=2 2813 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,1,1,0,0,0|0,0,0]=2 2814 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,1,1,0,0,0|0,0,0]=2 2815 B10R0.74 CCCOCCOC(C)C#N 34a_100011218135_100011215938 [0,1,1,0,0,0|1,0,1]=4 2816 B10R0.74 CCCOCCOC(C)C#N 7a_100000752267_100000703298 [0,1,1,0,0,0|1,0,1]=4 2817 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [0,1,1,0,0,0|1,0,1]=4 2818 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [0,1,1,0,0,0|1,0,1]=4 2819 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [0,1,1,0,0,0|1,0,1]=4 2820 B10R0.74 CCCOCCOC(C)CF 34a_100016041109_100011215938 [0,1,1,0,0,0|1,0,1]=4 2821 B10R0.74 CCCOCCOC(C)CF 7a_100016041109_100011215938 [0,1,1,0,0,0|1,0,1]=4 2822 B10R0.74 CCCOCCOC(C)CN 34a_100000210904_100011215938 [0,1,1,0,0,0|1,0,1]=4 2823 B10R0.74 CCCOCCOC(C)CO 34a_100000752267_100012180447 [0,1,1,0,0,0|0,0,2]=4 2824 B10R0.74 CCCOCCOC(C)CO 7a_100000752267_100012180447 [0,1,1,0,0,0|0,0,2]=4 2825 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,1,1,0,0,0|1,1,0]=4 2826 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,1,1,0,0,0|1,1,0]=4 2827 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,1,1,0,0,0|1,1,0]=4 2828 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,1,1,0,0,0|1,1,0]=4 2829 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,1,1,0,0,0|1,1,0]=4 2830 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,1,1,0,0,0|1,1,0]=4 2831 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,1,1,0,0,0|1,1,0]=4 2832 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,1,1,0,0,0|1,1,0]=4 2833 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,1,1,0,0,0|1,1,0]=4 2834 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,1,1,0,0,0|1,1,0]=4 2835 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,1,1,0,0,0|1,1,0]=4 2836 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,1,1,0,0,0|1,1,0]=4 2837 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,1,1,0,0,0|1,1,0]=4 2838 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,1,1,0,0,0|1,1,0]=4 2839 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,1,1,0,0,0|1,1,0]=4 2840 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,1,1,0,0,0|0,1,0]=3 2841 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,1,1,0,0,0|0,1,0]=3 2842 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,1,1,0,0,0|1,0,0]=3 2843 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,1,1,0,0,0|2,0,0]=4 2844 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,1,1,0,0,0|2,0,0]=4 2845 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,1,1,0,0,0|2,0,0]=4 2846 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,1,1,0,0,0|2,0,0]=4 2847 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,1,1,0,0,0|2,0,0]=4 2848 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,1,1,0,0,0|2,0,0]=4 2849 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,1,1,0,0,0|2,0,0]=4 2850 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,1,1,0,0,0|2,0,0]=4 2851 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,1,1,0,0,0|2,0,0]=4 2852 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,1,1,0,0,0|2,0,0]=4 2853 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,1,1,0,0,0|2,0,0]=4 2854 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,1,1,0,0,0|2,0,0]=4 2855 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,1,1,0,0,0|2,0,0]=4 2856 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,1,1,0,0,0|2,0,0]=4 2857 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,1,1,0,0,0|2,0,0]=4 2858 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,1,1,0,0,0|2,0,0]=4 2859 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,1,1,0,0,0|2,0,0]=4 2860 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,1,1,0,0,0|2,0,0]=4 2861 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,1,1,0,0,0|2,0,0]=4 2862 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,1,1,0,0,0|1,0,0]=3 2863 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,1,1,0,0,0|1,0,0]=3 2864 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,1,1,0,0,0|1,0,0]=3 2865 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,1,1,0,0,0|1,0,0]=3 2866 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,1,1,0,0,0|1,0,0]=3 2867 B10R0.74 CNC(=O)NCCNCCO 34a_100015205895_100000211926 [0,1,1,0,0,0|2,0,0]=4 2868 B10R0.74 CNC(=O)NCCOCCO 2708a_100102657272_100000211614 [0,1,1,0,0,0|2,0,0]=4 2869 B10R0.74 CNC(=O)NCCOCCO 273464a_100000211614_100102657272 [0,1,1,0,0,0|2,0,0]=4 2870 B10R0.74 CNC(=O)NCCOCCO 273464a_100102657272_100000211614 [0,1,1,0,0,0|2,0,0]=4 2871 B10R0.74 CNC(=O)NCCOCCO 512a_100000211614_100102657272 [0,1,1,0,0,0|2,0,0]=4 2872 B10R0.74 CNC(=O)NCCSCCO 2708a_100102657272_100011219999 [0,1,1,0,0,0|2,0,0]=4 2873 B10R0.74 CNC(=O)NCCSCCO 273464a_100011219999_100102657272 [0,1,1,0,0,0|2,0,0]=4 2874 B10R0.74 CNC(=O)NCCSCCO 273464a_100102657272_100011219999 [0,1,1,0,0,0|2,0,0]=4 2875 B10R0.74 CNC(=O)NCCSCCO 512a_100011219999_100102657272 [0,1,1,0,0,0|2,0,0]=4 2876 B10R0.74 CNC(=O)NCCSCCO 512a_106832991638_100011219999 [0,1,1,0,0,0|2,0,0]=4 2877 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [0,1,1,0,0,0|2,0,0]=4 2878 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,1,1,0,0,0|1,0,0]=3 2879 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [0,1,1,0,0,0|1,0,0]=3 2880 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,1,1,0,0,0|1,0,0]=3 2881 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,1,1,0,0,0|1,1,0]=4 2882 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,1,1,0,0,0|1,1,0]=4 2883 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,1,1,0,0,0|1,0,0]=3 2884 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,1,1,0,0,0|1,0,0]=3 2885 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,1,1,0,0,0|1,1,0]=4 2886 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,1,1,0,0,0|1,1,0]=4 2887 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,1,1,0,0,0|1,1,0]=4 2888 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,1,1,0,0,0|1,1,0]=4 2889 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,1,1,0,0,0|2,0,0]=4 2890 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,1,1,0,0,0|2,0,0]=4 2891 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,1,1,0,0,0|2,0,0]=4 2892 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,1,1,0,0,0|2,0,0]=4 2893 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,1,1,0,0,0|2,0,0]=4 2894 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,1,1,0,0,0|2,0,0]=4 2895 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,1,1,0,0,0|2,0,0]=4 2896 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,1,1,0,0,0|2,0,0]=4 2897 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,1,1,0,0,0|2,0,0]=4 2898 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,1,1,0,0,0|2,0,0]=4 2899 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,1,1,0,0,0|2,0,0]=4 2900 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,1,1,0,0,0|2,0,0]=4 2901 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [0,1,1,0,0,0|2,0,0]=4 2902 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [0,1,1,0,0,0|2,0,0]=4 2903 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [0,1,1,0,0,0|2,0,0]=4 2904 B10R0.74 COC(=O)OCCOCC=O 34a_100010262106_200009817547 [0,1,1,0,0,0|1,0,1]=4 2905 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,1,1,0,0,0|1,0,0]=3 2906 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,1,1,0,0,0|1,0,0]=3 2907 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,1,1,0,0,0|1,0,0]=3 2908 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,1,1,0,0,0|2,0,0]=4 2909 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,1,1,0,0,0|1,0,0]=3 2910 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,1,1,0,0,0|1,0,0]=3 2911 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,1,1,0,0,0|2,0,0]=4 2912 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,1,1,0,0,0|1,0,0]=3 2913 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,1,1,0,0,0|1,0,0]=3 2914 B10R0.74 O=C(CO)NCCOCCO 240690a_100000211614_100000210174 [0,1,1,0,0,0|2,0,0]=4 2915 B10R0.74 O=C(CO)NCCSCCO 240690a_100011219999_100000210174 [0,1,1,0,0,0|2,0,0]=4 2916 B10R0.74 O=C(CO)NCCSCCO 527a_100011219999_100000210174 [0,1,1,0,0,0|2,0,0]=4 2917 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [0,1,1,0,0,0|2,0,0]=4 2918 B10R0.75 C=C(C)C(=O)CCOCCC 1458a_100000185857_100011215938 [0,1,1,0,0,0|2,0,0]=4 2919 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011215043_100011261029 [0,1,1,0,0,0|2,0,0]=4 2920 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011261029_100011215043 [0,1,1,0,0,0|2,0,0]=4 2921 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,1,1,0,0,0|2,0,0]=4 2922 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,1,1,0,0,0|2,0,0]=4 2923 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,1,1,0,0,0|2,0,0]=4 2924 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,1,1,0,0,0|2,0,0]=4 2925 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,1,1,0,0,0|2,0,0]=4 2926 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,1,1,0,0,0|2,0,0]=4 2927 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [0,1,1,0,0,0|1,0,0]=3 2928 B10R0.75 CC(=O)N(C)CCOCCO 240690a_100000228057_100015343762 [0,1,1,0,0,0|2,0,0]=4 2929 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,1,1,0,0,0|2,0,0]=4 2930 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,1,1,0,0,0|2,0,0]=4 2931 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,1,1,0,0,0|2,0,0]=4 2932 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,1,1,0,0,0|2,0,0]=4 2933 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,1,1,0,0,0|2,0,0]=4 2934 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,1,1,0,0,0|2,0,0]=4 2935 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,1,1,0,0,0|2,0,0]=4 2936 B10R0.78 CC(=O)CCN(C)CCCO 269982a_100000213112_100000053229 [0,1,1,0,0,0|2,0,0]=4 2937 B10R0.78 CC(=O)NCC(=O)CCCO 1458a_100000194580_100011215043 [0,1,1,0,0,0|1,0,1]=4 2938 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [0,1,1,0,0,0|1,0,0]=3 2939 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [0,1,1,0,0,0|1,0,0]=3 2940 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [0,1,1,0,0,0|1,0,1]=4 2941 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [0,1,1,0,0,0|0,0,1]=3 2942 B10R0.78 CC(=O)OCC(=O)NCCO 240690a_100000210304_100000183556 [0,1,1,0,0,0|1,0,1]=4 2943 B10R0.78 CC(=O)OCC(=O)NCCO 527a_100000210304_100000183556 [0,1,1,0,0,0|1,0,1]=4 2944 B10R0.78 CC(=O)OCC(C)NCCO 270004a_100000210304_100000000629 [0,1,1,0,0,0|1,0,0]=3 2945 B10R0.78 CC(=O)OCC(O)CSCF 62a_100015361967_200000139349 [0,1,1,0,0,0|2,0,0]=4 2946 B10R0.78 CC(=O)OCC(O)CSCF 62a_200000139349_100015361967 [0,1,1,0,0,0|2,0,0]=4 2947 B10R0.78 CC(=O)OCN(C)CCCO 269982a_100000213112_100000076356 [0,1,1,0,0,0|1,0,0]=3 2948 B10R0.78 CC(=O)SCC(=O)CCCO 1458a_100000049016_100011215043 [0,1,1,0,0,0|0,1,1]=4 2949 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,1,1,0,0,0|1,0,1]=4 2950 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,1,1,0,0,0|2,0,0]=4 2951 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,1,1,0,0,0|2,0,0]=4 2952 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [0,1,1,0,0,0|2,0,0]=4 2953 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [0,1,1,0,0,0|1,0,1]=4 2954 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [0,1,1,0,0,0|1,0,1]=4 2955 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [0,1,1,0,0,0|1,0,1]=4 2956 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [0,1,1,0,0,0|1,0,0]=3 2957 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [0,1,1,0,0,0|1,0,0]=3 2958 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [0,1,1,0,0,0|1,0,0]=3 2959 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [0,1,1,0,0,0|1,0,0]=3 2960 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [0,1,1,0,0,0|1,0,0]=3 2961 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [0,1,1,0,0,0|2,0,0]=4 2962 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [0,1,1,0,0,0|2,0,0]=4 2963 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [0,1,1,0,0,0|2,0,0]=4 2964 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000210245_100000685027 [0,1,1,0,0,0|1,0,1]=4 2965 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000759063_100000748629 [0,1,1,0,0,0|1,0,1]=4 2966 B10R0.97 C=C(C)COCCCC(=O)C 7a_100000759063_100000748629 [0,1,1,0,0,0|1,0,1]=4 2967 B10R0.97 C=C(C)COCCNC(=O)C 34a_100000158858_100000748629 [0,1,1,0,0,0|1,0,1]=4 2968 B10R0.97 C=C(C)COCCOC(=O)C 34a_100000210245_100009814007 [0,1,1,0,0,0|0,0,1]=3 2969 B10R0.97 C=C(C)COCCOC(=O)N 34a_100000210245_200011214921 [0,1,1,0,0,0|1,0,1]=4 2970 B10R0.97 C=C(C)COCCOC(=O)N 7a_100000766696_100000748629 [0,1,1,0,0,0|1,0,1]=4 2971 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100000748629_100009814007 [0,1,1,0,0,0|0,1,1]=4 2972 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100009814007_100000211660 [0,1,1,0,0,0|0,1,1]=4 2973 B10R0.97 C=C(F)COCCOC(=O)C 34a_200010262243_100009814007 [0,1,1,0,0,0|0,0,2]=4 2974 B10R0.97 CC(=CCCOCC(C)Br)C 34a_100012180447_100011217483 [0,1,1,0,0,0|2,0,0]=4 2975 B10R0.97 CC(=CCCOCC(C)C)C 34a_100000210257_100011217483 [0,1,1,0,0,0|2,0,0]=4 2976 B10R0.97 CC(=CCCOCC(C)F)C 34a_100015925927_100011217483 [0,1,1,0,0,0|2,0,0]=4 2977 B10R0.97 CC(=CCCOC[C@@H](C)Cl)C 34a_100016084084_100011217483 [0,1,1,0,0,0|2,0,0]=4 2978 B10R0.97 CC(=CCCOC[C@@H](C)N)C 34a_100000737577_100011217483 [0,1,1,0,0,0|2,0,0]=4 2979 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [0,1,1,0,0,0|2,0,0]=4 2980 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,1,1,0,0,0|2,0,0]=4 2981 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,1,1,0,0,0|2,0,0]=4 2982 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,1,1,0,0,0|0,0,2]=4 2983 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,1,1,0,0,0|2,0,0]=4 2984 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,1,1,0,0,0|2,0,0]=4 2985 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [0,1,1,0,0,0|1,0,1]=4 2986 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,1,1,0,0,0|1,0,0]=3 2987 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,1,1,0,0,0|1,0,0]=3 2988 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,1,1,0,0,0|1,0,0]=3 2989 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,1,1,0,0,0|1,0,0]=3 2990 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,1,1,0,0,0|1,0,0]=3 2991 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,1,1,0,0,0|1,0,0]=3 2992 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,1,1,0,0,0|1,0,0]=3 2993 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000743014_100000685027 [0,1,1,0,0,0|2,0,0]=4 2994 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000759063_100011934356 [0,1,1,0,0,0|2,0,0]=4 2995 B10R0.97 CC(=O)CCCOCC(F)F 7a_100000759063_100011934356 [0,1,1,0,0,0|2,0,0]=4 2996 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,1,1,0,0,0|1,0,0]=3 2997 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,1,1,0,0,0|1,0,0]=3 2998 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,1,1,0,0,0|1,0,0]=3 2999 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,1,1,0,0,0|1,0,0]=3 3000 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,1,1,0,0,0|1,1,0]=4 3001 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,1,1,0,0,0|1,1,0]=4 3002 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,1,1,0,0,0|1,1,0]=4 3003 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,1,1,0,0,0|1,1,0]=4 3004 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,1,1,0,0,0|1,1,0]=4 3005 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,1,1,0,0,0|1,1,0]=4 3006 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,1,1,0,0,0|2,0,0]=4 3007 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,1,1,0,0,0|2,0,0]=4 3008 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,1,1,0,0,0|2,0,0]=4 3009 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,1,1,0,0,0|2,0,0]=4 3010 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,1,1,0,0,0|2,0,0]=4 3011 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [0,1,1,0,0,0|0,0,1]=3 3012 B10R0.97 CC(=O)COCCOC(=O)N 34a_100000211253_200011214921 [0,1,1,0,0,0|1,0,1]=4 3013 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [0,1,1,0,0,0|2,0,0]=4 3014 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [0,1,1,0,0,0|2,0,0]=4 3015 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,1,1,0,0,0|2,0,0]=4 3016 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,1,1,0,0,0|2,0,0]=4 3017 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,1,1,0,0,0|2,0,0]=4 3018 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [0,1,1,0,0,0|1,0,0]=3 3019 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,1,1,0,0,0|1,0,0]=3 3020 B10R0.97 CC(=O)NCCOCC(F)F 34a_100000158858_100011934356 [0,1,1,0,0,0|2,0,0]=4 3021 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,1,1,0,0,0|1,0,0]=3 3022 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [0,1,1,0,0,0|1,1,0]=4 3023 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [0,1,1,0,0,0|1,1,0]=4 3024 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,1,1,0,0,0|1,1,0]=4 3025 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,1,1,0,0,0|1,1,0]=4 3026 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,1,1,0,0,0|1,1,0]=4 3027 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,1,1,0,0,0|1,1,0]=4 3028 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,1,1,0,0,0|2,0,0]=4 3029 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [0,1,1,0,0,0|2,0,0]=4 3030 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [0,1,1,0,0,0|2,0,0]=4 3031 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [0,1,1,0,0,0|2,0,0]=4 3032 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [0,1,1,0,0,0|2,0,0]=4 3033 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [0,1,1,0,0,0|1,0,1]=4 3034 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [0,1,1,0,0,0|1,0,0]=3 3035 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,1,1,0,0,0|1,0,0]=3 3036 B10R0.97 CC(=O)OCCNCC(F)F 34a_100000765723_100009814007 [0,1,1,0,0,0|2,0,0]=4 3037 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [0,1,1,0,0,0|0,0,0]=2 3038 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [0,1,1,0,0,0|0,0,0]=2 3039 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [0,1,1,0,0,0|0,0,0]=2 3040 B10R0.97 CC(=O)OCCOCC(F)F 34a_100000743014_100009814007 [0,1,1,0,0,0|1,0,0]=3 3041 B10R0.97 CC(=O)OCCOCN(C)C 269982a_100102631434_100000076355 [0,1,1,0,0,0|1,0,0]=3 3042 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [0,1,1,0,0,0|0,0,0]=2 3043 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [0,1,1,0,0,0|0,0,0]=2 3044 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [0,1,1,0,0,0|0,1,0]=3 3045 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [0,1,1,0,0,0|0,1,0]=3 3046 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,1,1,0,0,0|0,1,0]=3 3047 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,1,1,0,0,0|0,1,0]=3 3048 B10R0.97 CC(=O)OCCSCC(F)F 62a_100009814007_100011934356 [0,1,1,0,0,0|1,1,0]=4 3049 B10R0.97 CC(=O)OCCSCC(F)F 62a_100011934356_100009814007 [0,1,1,0,0,0|1,1,0]=4 3050 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,1,1,0,0,0|0,1,0]=3 3051 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,1,1,0,0,0|0,1,0]=3 3052 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [0,1,1,0,0,0|2,0,0]=4 3053 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [0,1,1,0,0,0|2,0,0]=4 3054 B10R0.97 CC(=O)OCOCCC(F)F 34a_100103093639_100009813279 [0,1,1,0,0,0|2,0,0]=4 3055 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [0,1,1,0,0,0|2,0,0]=4 3056 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [0,1,1,0,0,0|2,0,0]=4 3057 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [0,1,1,0,0,0|2,0,0]=4 3058 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,1,1,0,0,0|1,0,0]=3 3059 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,1,1,0,0,0|1,0,0]=3 3060 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [0,1,1,0,0,0|2,0,0]=4 3061 B10R0.97 CC(Br)COCCOC(=O)N 34a_100012180447_200011214921 [0,1,1,0,0,0|1,0,0]=3 3062 B10R0.97 CC(Br)COCCOC(C)C 34a_100012180447_100000211751 [0,1,1,0,0,0|1,0,1]=4 3063 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,1,1,0,0,0|2,0,0]=4 3064 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [0,1,1,0,0,0|2,0,0]=4 3065 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [0,1,1,0,0,0|2,0,0]=4 3066 B10R0.97 CC(C)COCCNC(=O)N 34a_100000181757_100000210624 [0,1,1,0,0,0|2,0,0]=4 3067 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [0,1,1,0,0,0|1,0,0]=3 3068 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [0,1,1,0,0,0|1,0,0]=3 3069 B10R0.97 CC(C)COCCOC(C)C 34a_100000210257_100000211751 [0,1,1,0,0,0|1,0,1]=4 3070 B10R0.97 CC(C)COCCOC(C)C 34a_100000211219_100000210624 [0,1,1,0,0,0|1,0,1]=4 3071 B10R0.97 CC(C)COCCOC(C)C 34a_100000703358_100000210206 [0,1,1,0,0,0|1,0,1]=4 3072 B10R0.97 CC(C)COCCOC(C)C 7a_100000211219_100000210760 [0,1,1,0,0,0|1,0,1]=4 3073 B10R0.97 CC(C)COCCOC(C)C 7a_100000703358_100000210206 [0,1,1,0,0,0|1,0,1]=4 3074 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [0,1,1,0,0,0|1,1,0]=4 3075 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [0,1,1,0,0,0|1,1,0]=4 3076 B10R0.97 CC(C)OCCOC[C@@H](C)Cl 34a_100016084084_100000211751 [0,1,1,0,0,0|1,0,1]=4 3077 B10R0.97 CC(C)OCCOC[C@@H](C)N 34a_100000737577_100000211751 [0,1,1,0,0,0|1,0,1]=4 3078 B10R0.97 CC(C)OCCOC[C@@H](C)O 34a_100000211219_100009817552 [0,1,1,0,0,0|1,0,1]=4 3079 B10R0.97 CC(C)OCCOC[C@@H](C)O 7a_100000211219_100009817552 [0,1,1,0,0,0|1,0,1]=4 3080 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [0,1,1,0,0,0|2,0,0]=4 3081 B10R0.97 CC(F)COCCOC(=O)N 34a_100015925927_200011214921 [0,1,1,0,0,0|1,0,0]=3 3082 B10R0.97 CC(F)COCCOC(C)C 34a_100015925927_100000211751 [0,1,1,0,0,0|1,0,1]=4 3083 B10R0.97 CC(O)CNCCOC(=O)N 34a_100000210904_200011214921 [0,1,1,0,0,0|2,0,0]=4 3084 B10R0.97 CC(O)COCCNC(=O)N 34a_100000181757_100011218427 [0,1,1,0,0,0|2,0,0]=4 3085 B10R0.97 CC(O)COCCOC(=O)N 7a_100000766696_100011218427 [0,1,1,0,0,0|1,0,0]=3 3086 B10R0.97 CC(O)COCCOC(C)C 34a_100000211219_100011218427 [0,1,1,0,0,0|1,0,1]=4 3087 B10R0.97 CC(O)COCCOC(C)C 7a_100000211219_100011218427 [0,1,1,0,0,0|1,0,1]=4 3088 B10R0.97 CC(O)CSCCOC(=O)N 62a_100011218427_200011214921 [0,1,1,0,0,0|1,1,0]=4 3089 B10R0.97 CC(O)CSCCOC(=O)N 62a_200011214921_100011218427 [0,1,1,0,0,0|1,1,0]=4 3090 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [0,1,1,0,0,0|2,0,0]=4 3091 B10R0.97 C[C@@H](Cl)COCCOC(=O)N 34a_100016084084_200011214921 [0,1,1,0,0,0|1,0,0]=3 3092 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [0,1,1,0,0,0|2,0,0]=4 3093 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [0,1,1,0,0,0|1,0,0]=3 3094 B10R0.97 C[C@@H](O)COCCNC(=O)N 34a_100000181757_100009817552 [0,1,1,0,0,0|2,0,0]=4 3095 B10R0.97 C[C@@H](O)COCCOC(=O)N 7a_100000766696_100009817552 [0,1,1,0,0,0|1,0,0]=3 3096 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_100009817552_200011214921 [0,1,1,0,0,0|1,1,0]=4 3097 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_200011214921_100009817552 [0,1,1,0,0,0|1,1,0]=4 3098 B10R0.97 NC(=O)OCCOCC(F)F 34a_100000743014_200011214921 [0,1,1,0,0,0|2,0,0]=4 3099 B10R0.97 NC(=O)OCCOCC(F)F 7a_100000766696_100011934356 [0,1,1,0,0,0|2,0,0]=4 3100 B10R0.11 CCC(CNS(=O)(=O)C)OC 40a_100000731041_100000738038 [0,1,1,0,0,0|2,0,0]=4 3101 B10R0.11 CCC(COC(C)(C)C)OC 34a_100011934954_100000210625 [0,1,1,0,0,0|1,0,1]=4 3102 B10R0.27 CC(=O)OCC(CCl)OCF 7a_200000139349_100015361967 [0,1,1,0,0,0|1,0,0]=3 3103 B10R0.27 CCCN(CC)COC(=O)C 269982a_100000226822_100000076356 [0,1,1,0,0,0|2,0,0]=4 3104 B10R0.27 CCN(CCO)COC(=O)C 269982a_100000210973_100000076356 [0,1,1,0,0,0|2,0,0]=4 3105 B10R0.27 CCOC(CC)CNC(=O)C 11a_100015183923_100015343762 [0,1,1,0,0,0|1,0,0]=3 3106 B10R0.27 CCOC(CC)CNC(=O)C 1626a_100015183923_100015343762 [0,1,1,0,0,0|1,0,0]=3 3107 B10R0.27 CCOC(CC)CNC(=O)C 240690a_100015183923_100015343762 [0,1,1,0,0,0|1,0,0]=3 3108 B10R0.27 CCOC(CC)CNC(=O)C 527a_100015183923_100103153847 [0,1,1,0,0,0|1,0,0]=3 3109 B10R0.27 CCOC(CCl)COC(=O)C 7a_200000139349_100000210202 [0,1,1,0,0,0|1,0,0]=3 3110 B10R0.45 C#CC(C)OCC(CC)OC 34a_100011934954_200000035995 [0,1,1,0,0,0|1,0,1]=4 3111 B10R0.45 C=CC(=O)NCC(CC)OC 1626a_100000731041_100000185746 [0,1,1,0,0,0|1,0,1]=4 3112 B10R0.45 C=CC(=O)NCC(CC)OC 240690a_100000731041_200121576911 [0,1,1,0,0,0|1,0,1]=4 3113 B10R0.45 CCC(=O)CCC(OC)OC 1458a_100000210414_100000139399 [0,1,1,0,0,0|2,0,0]=4 3114 B10R0.45 CCC(=O)CCC(OC)OC 1458a_200000082759_100000210202 [0,1,1,0,0,0|2,0,0]=4 3115 B10R0.45 CCC(=O)NCC(CC)CC 11a_100102946423_100000210414 [0,1,1,0,0,0|2,0,0]=4 3116 B10R0.45 CCC(=O)NCC(CC)CC 1626a_100102946423_100000210414 [0,1,1,0,0,0|2,0,0]=4 3117 B10R0.45 CCC(=O)NCC(CC)CC 240690a_100102946423_100000210414 [0,1,1,0,0,0|2,0,0]=4 3118 B10R0.45 CCC(=O)NCC(CC)CC 527a_100102946423_100000210414 [0,1,1,0,0,0|2,0,0]=4 3119 B10R0.45 CCC(=O)NCC(CC)OC 11a_100000731041_100000210414 [0,1,1,0,0,0|1,0,0]=3 3120 B10R0.45 CCC(=O)NCC(CC)OC 1626a_100000731041_100000210414 [0,1,1,0,0,0|1,0,0]=3 3121 B10R0.45 CCC(=O)NCC(CC)OC 240690a_100000731041_100000210414 [0,1,1,0,0,0|1,0,0]=3 3122 B10R0.45 CCC(=O)NCC(CC)OC 527a_100000731041_100000210414 [0,1,1,0,0,0|1,0,0]=3 3123 B10R0.45 CCC(=O)NCC(OC)OC 11a_100000210479_100000210414 [0,1,1,0,0,0|2,0,0]=4 3124 B10R0.45 CCC(=O)NCC(OC)OC 1626a_100000210479_100000210414 [0,1,1,0,0,0|2,0,0]=4 3125 B10R0.45 CCC(=O)NCC(OC)OC 240690a_100000210479_100000210414 [0,1,1,0,0,0|2,0,0]=4 3126 B10R0.45 CCC(=O)NCC(OC)OC 527a_100000210479_100000210414 [0,1,1,0,0,0|2,0,0]=4 3127 B10R0.45 CCC(C)OCC(CC)OC 34a_100011934954_100011215416 [0,1,1,0,0,0|1,0,1]=4 3128 B10R0.45 CCC(C)OCC(CC)OC 7a_100011934954_100000758301 [0,1,1,0,0,0|1,0,1]=4 3129 B10R0.45 CCC(CC)CNC(=O)CO 240690a_100102946423_100000210174 [0,1,1,0,0,0|2,0,0]=4 3130 B10R0.45 CCC(CC)CNC(=O)CO 527a_100102946423_100000210174 [0,1,1,0,0,0|2,0,0]=4 3131 B10R0.45 CCC(CC)CNC(=O)NC 2708a_100102657272_100102946423 [0,1,1,0,0,0|2,0,0]=4 3132 B10R0.45 CCC(CC)CNC(=O)NC 2708a_100102946423_106832991635 [0,1,1,0,0,0|2,0,0]=4 3133 B10R0.45 CCC(CC)CNC(=O)NC 273464a_100102657272_100102946423 [0,1,1,0,0,0|2,0,0]=4 3134 B10R0.45 CCC(CC)CNC(=O)NC 273464a_100102946423_100102657272 [0,1,1,0,0,0|2,0,0]=4 3135 B10R0.45 CCC(CC)CNC(=O)NC 512a_100102946423_100102657272 [0,1,1,0,0,0|2,0,0]=4 3136 B10R0.45 CCC(CC)CNC(=O)NC 512a_106832991638_100102946423 [0,1,1,0,0,0|2,0,0]=4 3137 B10R0.45 CCC(CNC(=O)CO)OC 240690a_100000731041_100000210174 [0,1,1,0,0,0|1,0,0]=3 3138 B10R0.45 CCC(CNC(=O)CO)OC 527a_100000731041_100000210174 [0,1,1,0,0,0|1,0,0]=3 3139 B10R0.45 CCC(CNC(=O)NC)OC 2708a_100000731041_106832991635 [0,1,1,0,0,0|1,0,0]=3 3140 B10R0.45 CCC(CNC(=O)NC)OC 2708a_100102657272_100000731041 [0,1,1,0,0,0|1,0,0]=3 3141 B10R0.45 CCC(CNC(=O)NC)OC 273464a_100000731041_100102657272 [0,1,1,0,0,0|1,0,0]=3 3142 B10R0.45 CCC(CNC(=O)NC)OC 273464a_100102657272_100000731041 [0,1,1,0,0,0|1,0,0]=3 3143 B10R0.45 CCC(CNC(=O)NC)OC 512a_100000731041_100102657272 [0,1,1,0,0,0|1,0,0]=3 3144 B10R0.45 CCC(CNC(=O)NC)OC 512a_106832991638_100000731041 [0,1,1,0,0,0|1,0,0]=3 3145 B10R0.45 CCC(COC(C)C#N)OC 7a_100011934954_100000703298 [0,1,1,0,0,0|1,0,1]=4 3146 B10R0.45 CCC(COC(C)CO)OC 34a_100011934954_100012180447 [0,1,1,0,0,0|0,0,2]=4 3147 B10R0.45 CCC(COC(C)CO)OC 7a_100011934954_100012180447 [0,1,1,0,0,0|0,0,2]=4 3148 B10R0.45 CNC(=O)CCC(OC)OC 11a_106832991635_200000082759 [0,1,1,0,0,0|2,0,0]=4 3149 B10R0.45 CNC(=O)CCC(OC)OC 1626a_100102657272_200000082759 [0,1,1,0,0,0|2,0,0]=4 3150 B10R0.45 CNC(=O)CCC(OC)OC 240690a_100102657272_200000082759 [0,1,1,0,0,0|2,0,0]=4 3151 B10R0.45 CNC(=O)CCC(OC)OC 527a_100102657272_200000082759 [0,1,1,0,0,0|2,0,0]=4 3152 B10R0.45 CNC(=O)NCC(OC)OC 2708a_100000210479_106832991635 [0,1,1,0,0,0|2,0,0]=4 3153 B10R0.45 CNC(=O)NCC(OC)OC 273464a_100000210479_100102657272 [0,1,1,0,0,0|2,0,0]=4 3154 B10R0.45 CNC(=O)NCC(OC)OC 273464a_100102657272_100000210479 [0,1,1,0,0,0|2,0,0]=4 3155 B10R0.45 CNC(=O)NCC(OC)OC 512a_100000210479_100102657272 [0,1,1,0,0,0|2,0,0]=4 3156 B10R0.45 CNC(=O)NCC(OC)OC 512a_106832991638_100000210479 [0,1,1,0,0,0|2,0,0]=4 3157 B10R0.45 COC(CCC(=O)CF)OC 1458a_200000082759_100015361967 [0,1,1,0,0,0|2,0,0]=4 3158 B10R0.45 COC(CCC(=O)CO)OC 1458a_100000210174_100000139399 [0,1,1,0,0,0|2,0,0]=4 3159 B10R0.45 COC(CNC(=O)CO)OC 240690a_100000210479_100000210174 [0,1,1,0,0,0|2,0,0]=4 3160 B10R0.45 COC(CNC(=O)CO)OC 527a_100000210479_100000210174 [0,1,1,0,0,0|2,0,0]=4 3161 B10R0.72 COC(CN(C)C(=O)C)OC 11a_100000225562_100015343762 [0,1,1,0,0,0|2,0,0]=4 3162 B10R0.72 COC(CN(C)C(=O)C)OC 1626a_100000225562_100015343762 [0,1,1,0,0,0|2,0,0]=4 3163 B10R0.72 COC(CN(C)C(=O)C)OC 240690a_100000225562_100015343762 [0,1,1,0,0,0|2,0,0]=4 3164 B10R0.72 COC(CN(C)C(=O)C)OC 527a_100000225562_100103153847 [0,1,1,0,0,0|2,0,0]=4 3165 B10R0.84 CCC(CNC(=O)C)N(C)C 11a_100000738386_100015343762 [0,1,1,0,0,0|2,0,0]=4 3166 B10R0.84 CCC(CNC(=O)C)N(C)C 1626a_100000738386_100015343762 [0,1,1,0,0,0|2,0,0]=4 3167 B10R0.84 CCC(CNC(=O)C)N(C)C 240690a_100000738386_100015343762 [0,1,1,0,0,0|2,0,0]=4 3168 B10R0.84 CCN(COC(=O)C)C(C)C 269982a_100000223864_100000076356 [0,1,1,0,0,0|2,0,0]=4 3169 B10R0.121 COC(C)(CNC(=O)C)OC 11a_100000732740_100015343762 [0,1,1,0,0,0|2,0,0]=4 3170 B10R0.121 COC(C)(CNC(=O)C)OC 1626a_100000732740_100015343762 [0,1,1,0,0,0|2,0,0]=4 3171 B10R0.121 COC(C)(CNC(=O)C)OC 527a_100000732740_100103153847 [0,1,1,0,0,0|2,0,0]=4 3172 B10R0.144 CCN(CC)C(C)OC(=O)C 269956a_100000042499_100009818208 [0,1,1,0,0,0|2,0,0]=4 3173 B10R0.144 CCN(CC)C(C)OC(=O)C 269982a_100000724800_100009818208 [0,1,1,0,0,0|2,0,0]=4 3174 B10R0.26 COCC(O)CN(C)C(=O)C 240690a_100000739405_100015343762 [0,1,1,0,0,0|2,0,0]=4 3175 B10R0.26 COCC(O)CN(C)C(=O)C 527a_100000739405_100103153847 [0,1,1,0,0,0|2,0,0]=4 3176 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,1,1,0,0,0|0,0,2]=4 3177 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,1,1,0,0,0|0,0,2]=4 3178 B10R0.32 CCCN(C)C(C)OC(=O)C 269982a_100000747261_100009818208 [0,1,1,0,0,0|2,0,0]=4 3179 B10R0.57 CCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210202 [0,1,1,0,0,0|1,1,0]=4 3180 B10R0.57 CCC(C)C(=O)COC(=O)C 1458a_100000183556_100000758301 [0,1,1,0,0,0|0,0,2]=4 3181 B10R0.57 CCC(C)N(C)COC(=O)C 269982a_100000741768_100000076356 [0,1,1,0,0,0|2,0,0]=4 3182 B10R0.96 CC(=O)NCC(O)CN(C)C 240690a_100000737402_100015343762 [0,1,1,0,0,0|2,0,0]=4 3183 B10R0.96 CC(=O)NCC(O)CN(C)C 527a_100000737402_100103153847 [0,1,1,0,0,0|2,0,0]=4 3184 B10R0.96 CC(=O)OCC(=O)CC(C)C 1458a_100000183556_100000210624 [0,1,1,0,0,0|0,0,2]=4 3185 B10R0.96 CC(=O)OCC(=O)CC(C)O 1458a_100000183556_100011218427 [0,1,1,0,0,0|0,0,2]=4 3186 B10R0.96 CC(=O)OCC(O)CN(C)C 269982a_100102631434_200000139349 [0,1,1,0,0,0|1,0,0]=3 3187 B10R0.96 CC(=O)OCN(C)CC(C)C 269982a_100000747067_100000076356 [0,1,1,0,0,0|2,0,0]=4 3188 B10R0.96 CC(=O)OCN(C)CC(C)O 269982a_100000227577_100000076356 [0,1,1,0,0,0|2,0,0]=4 3189 B10R0.108 CCC(=O)NCC(O)COC 240690a_100000756049_100000210414 [0,1,1,0,0,0|2,0,0]=4 3190 B10R0.108 CCC(=O)NCC(O)COC 527a_100000756049_100000210414 [0,1,1,0,0,0|2,0,0]=4 3191 B10R0.108 CNC(=O)NCC(O)COC 2708a_100102657272_100000756049 [0,1,1,0,0,0|2,0,0]=4 3192 B10R0.108 CNC(=O)NCC(O)COC 273464a_100000756049_100102657272 [0,1,1,0,0,0|2,0,0]=4 3193 B10R0.108 CNC(=O)NCC(O)COC 273464a_100102657272_100000756049 [0,1,1,0,0,0|2,0,0]=4 3194 B10R0.108 CNC(=O)NCC(O)COC 512a_100000756049_100102657272 [0,1,1,0,0,0|2,0,0]=4 3195 B10R0.108 CNC(=O)NCC(O)COC 512a_106832991638_100000756049 [0,1,1,0,0,0|2,0,0]=4 3196 B10R0.108 COCC(O)CNC(=O)CO 240690a_100000756049_100000210174 [0,1,1,0,0,0|2,0,0]=4 3197 B10R0.108 COCC(O)CNC(=O)CO 527a_100000756049_100000210174 [0,1,1,0,0,0|2,0,0]=4 3198 B10R0.109 CCOC(C)COC(C)(C)C 7a_100011215624_100000210202 [0,1,1,0,0,0|1,0,1]=4 3199 B10R1.11 CCNC(C)C1CCCO1 2230a_100025754208_100000210202 [1,1,0,0,0,0|1,0,1]=4 3200 B10R1.11 CCNC(C)C1CCCO1 34a_100025754208_100000210202 [1,1,0,0,0,0|1,0,1]=4 3201 B10R1.11 CCOC(C)C1CCCC1 34a_100011216366_100000210202 [1,1,0,0,0,0|1,0,1]=4 3202 B10R1.11 CCOC(C)C1CCCC1 7a_100011216366_100000210202 [1,1,0,0,0,0|1,0,1]=4 3203 B10R1.16 CCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210202 [1,1,0,0,0,0|1,0,1]=4 3204 B10R1.21 BrCCOCC1CCCC1 34a_100000211926_100000740388 [1,1,0,0,0,0|1,0,1]=4 3205 B10R1.21 BrCCOCC1OCCO1 34a_100000211926_100000755774 [1,1,0,0,0,0|1,0,1]=4 3206 B10R1.21 C#CCOCC1CCCO1 34a_100000210270_100000184674 [1,1,0,0,0,0|0,0,2]=4 3207 B10R1.21 C#CCOCC1CCCO1 7a_100000210270_100000038162 [1,1,0,0,0,0|0,0,2]=4 3208 B10R1.21 C/C=C/CNC1CCCC1 34a_100000211070_100102629194 [1,1,0,0,0,0|2,0,0]=4 3209 B10R1.21 C/C=C/COC1CCCC1 34a_100000210269_100102629194 [1,1,0,0,0,0|2,0,0]=4 3210 B10R1.21 C/C=C/COC1CCCC1 34a_100016270725_100000179811 [1,1,0,0,0,0|2,0,0]=4 3211 B10R1.21 C/C=C/COC1CCCC1 7a_100000210269_100102629194 [1,1,0,0,0,0|2,0,0]=4 3212 B10R1.21 C/C=C/COC1CCCO1 34a_100000085407_100102629194 [1,1,0,0,0,0|1,0,0]=3 3213 B10R1.21 C/C=C/CSC1CCCC1 62a_100011217020_100102629194 [1,1,0,0,0,0|2,0,0]=4 3214 B10R1.21 C/C=C/CSC1CCCC1 62a_100102629194_100000179811 [1,1,0,0,0,0|2,0,0]=4 3215 B10R1.21 C=CCCOC1CCCO1 34a_100000085407_100000754431 [1,1,0,0,0,0|1,0,1]=4 3216 B10R1.21 C=CCNCC1CCCO1 2230a_100020586998_100000203698 [1,1,0,0,0,0|1,0,1]=4 3217 B10R1.21 C=CCNC[C@@H]1CCCO1 2230a_100020590478_100000210623 [1,1,0,0,0,0|1,0,1]=4 3218 B10R1.21 C=CCNC[C@@H]1CCCO1 34a_100020590478_100015514636 [1,1,0,0,0,0|1,0,1]=4 3219 B10R1.21 C=CCOCC1CCCC1 34a_100000742336_100015514636 [1,1,0,0,0,0|1,0,1]=4 3220 B10R1.21 C=CCOCC1CCCC1 34a_200000210373_100000740388 [1,1,0,0,0,0|1,0,1]=4 3221 B10R1.21 C=CCOCC1CCCC1 7a_100000742336_100015514636 [1,1,0,0,0,0|1,0,1]=4 3222 B10R1.21 C=CCOCC1CCCO1 34a_100000210270_100015514636 [1,1,0,0,0,0|0,0,1]=3 3223 B10R1.21 C=CCOCC1CCCO1 7a_100000210270_100015514636 [1,1,0,0,0,0|0,0,1]=3 3224 B10R1.21 C=CCOCC1COCO1 34a_100011216627_100015514636 [1,1,0,0,0,0|1,0,1]=4 3225 B10R1.21 C=CCOCC1OCCO1 34a_100000087154_100015514636 [1,1,0,0,0,0|1,0,1]=4 3226 B10R1.21 C=CCOCC1OCCO1 34a_200000210373_100000755774 [1,1,0,0,0,0|1,0,1]=4 3227 B10R1.21 C=CCOC[C@H]1CCCN1 34a_100000745186_100015514636 [1,1,0,0,0,0|1,0,1]=4 3228 B10R1.21 C=CCSCC1CCCO1 62a_100000203698_100000210623 [1,1,0,0,0,0|0,1,1]=4 3229 B10R1.21 C=CCSCC1CCCO1 62a_100000210623_100000203698 [1,1,0,0,0,0|0,1,1]=4 3230 B10R1.21 CC#CCOC1CCCO1 34a_100000085407_100000748600 [1,1,0,0,0,0|1,0,1]=4 3231 B10R1.21 CC=CCNC1CCCC1 2230a_100000211070_100000070051 [1,1,0,0,0,0|2,0,0]=4 3232 B10R1.21 CC=CCNC1CCCC1 34a_100000211070_100000070051 [1,1,0,0,0,0|2,0,0]=4 3233 B10R1.21 CC=CCOC1CCCC1 34a_100000210269_100000070051 [1,1,0,0,0,0|2,0,0]=4 3234 B10R1.21 CC=CCOC1CCCC1 7a_100000210269_100000070051 [1,1,0,0,0,0|2,0,0]=4 3235 B10R1.21 CC=CCOC1CCCO1 34a_100000085407_100000070051 [1,1,0,0,0,0|1,0,0]=3 3236 B10R1.21 CC=CCSC1CCCC1 62a_100000070051_100000179811 [1,1,0,0,0,0|2,0,0]=4 3237 B10R1.21 CC=CCSC1CCCC1 62a_100011217020_100000070051 [1,1,0,0,0,0|2,0,0]=4 3238 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [1,1,0,0,0,0|1,0,1]=4 3239 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [1,1,0,0,0,0|1,0,1]=4 3240 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [1,1,0,0,0,0|1,0,1]=4 3241 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [1,1,0,0,0,0|1,0,1]=4 3242 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [1,1,0,0,0,0|1,0,1]=4 3243 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [1,1,0,0,0,0|1,0,1]=4 3244 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [1,1,0,0,0,0|0,0,1]=3 3245 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [1,1,0,0,0,0|0,0,1]=3 3246 B10R1.21 CCCOCC1COCO1 34a_100011216627_100000210303 [1,1,0,0,0,0|1,0,1]=4 3247 B10R1.21 CCCOCC1OCCO1 34a_100000087154_100000210303 [1,1,0,0,0,0|1,0,1]=4 3248 B10R1.21 CCCOCC1OCCO1 34a_100000210258_100000755774 [1,1,0,0,0,0|1,0,1]=4 3249 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [1,1,0,0,0,0|1,0,1]=4 3250 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [1,1,0,0,0,0|0,1,1]=4 3251 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [1,1,0,0,0,0|0,1,1]=4 3252 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [1,1,0,0,0,0|1,0,1]=4 3253 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [1,1,0,0,0,0|1,0,1]=4 3254 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [1,1,0,0,0,0|1,0,1]=4 3255 B10R1.21 CCOCCC1OCCO1 34a_100121572206_100000740749 [1,1,0,0,0,0|1,0,1]=4 3256 B10R1.21 CCOCSC1CCCC1 62a_100000739092_100000179811 [1,1,0,0,0,0|1,0,1]=4 3257 B10R1.21 CCOCSC1CCCC1 62a_100011217020_100000739092 [1,1,0,0,0,0|1,0,1]=4 3258 B10R1.21 COCCOC1CCCO1 34a_100000085407_100011201679 [1,1,0,0,0,0|2,0,0]=4 3259 B10R1.21 COCNC[C@@H]1CCCO1 2230a_100020590478_100000766300 [1,1,0,0,0,0|1,0,1]=4 3260 B10R1.21 COCSCC1CCCO1 62a_100000203698_100000766300 [1,1,0,0,0,0|0,1,1]=4 3261 B10R1.21 COCSCC1CCCO1 62a_100000766300_100000203698 [1,1,0,0,0,0|0,1,1]=4 3262 B10R1.21 CSCCOC1CCCO1 34a_100000085407_100000212216 [1,1,0,0,0,0|2,0,0]=4 3263 B10R1.21 CSCNC[C@@H]1CCCO1 2230a_100020590478_100011218213 [1,1,0,0,0,0|1,0,1]=4 3264 B10R1.21 CSCNC[C@@H]1CCCO1 34a_100020590478_100011218213 [1,1,0,0,0,0|1,0,1]=4 3265 B10R1.21 CSCOCC1CCCC1 34a_100000742336_100011218213 [1,1,0,0,0,0|1,0,1]=4 3266 B10R1.21 CSCOCC1CCCO1 34a_100000210270_100011218213 [1,1,0,0,0,0|0,0,1]=3 3267 B10R1.21 CSCOCC1COCO1 34a_100011216627_100011218213 [1,1,0,0,0,0|1,0,1]=4 3268 B10R1.21 CSCOCC1OCCO1 34a_100000087154_100011218213 [1,1,0,0,0,0|1,0,1]=4 3269 B10R1.21 CSCOC[C@H]1CCCN1 34a_100000745186_100011218213 [1,1,0,0,0,0|1,0,1]=4 3270 B10R1.21 CSCSCC1CCCO1 62a_100000203698_100011218213 [1,1,0,0,0,0|0,1,1]=4 3271 B10R1.21 CSCSCC1CCCO1 62a_100011218213_100000203698 [1,1,0,0,0,0|0,1,1]=4 3272 B10R1.21 FCCNC[C@@H]1CCCO1 2230a_100020590478_100011217306 [1,1,0,0,0,0|1,0,1]=4 3273 B10R1.21 FCCNC[C@@H]1CCCO1 34a_100020590478_100011217306 [1,1,0,0,0,0|1,0,1]=4 3274 B10R1.21 FCCOCC1CCCC1 34a_100000742336_100011217306 [1,1,0,0,0,0|1,0,1]=4 3275 B10R1.21 FCCOCC1CCCC1 7a_100000742336_100011217306 [1,1,0,0,0,0|1,0,1]=4 3276 B10R1.21 FCCOCC1CCCO1 34a_100000210270_100011217306 [1,1,0,0,0,0|0,0,1]=3 3277 B10R1.21 FCCOCC1CCCO1 7a_100000210270_100011217306 [1,1,0,0,0,0|0,0,1]=3 3278 B10R1.21 FCCOCC1COCO1 34a_100011216627_100011217306 [1,1,0,0,0,0|1,0,1]=4 3279 B10R1.21 FCCOCC1OCCO1 34a_100000087154_100011217306 [1,1,0,0,0,0|1,0,1]=4 3280 B10R1.21 FCCOC[C@H]1CCCN1 34a_100000745186_100011217306 [1,1,0,0,0,0|1,0,1]=4 3281 B10R1.21 FCCSCC1CCCO1 62a_100000203698_100011217306 [1,1,0,0,0,0|0,1,1]=4 3282 B10R1.21 FCCSCC1CCCO1 62a_100011217306_100000203698 [1,1,0,0,0,0|0,1,1]=4 3283 B10R1.21 N#CCOCC1CCCO1 7a_100000210270_100011215382 [1,1,0,0,0,0|0,0,2]=4 3284 B10R1.21 NCCOCC1CCCC1 34a_100000210304_100000740388 [1,1,0,0,0,0|1,0,1]=4 3285 B10R1.21 NCCOCC1OCCO1 34a_100000210304_100000755774 [1,1,0,0,0,0|1,0,1]=4 3286 B10R1.21 O=CCNCC1CCCC1 2230a_100000737975_200015260668 [1,1,0,0,0,0|2,0,0]=4 3287 B10R1.21 O=CCNCC1CCCC1 34a_100000737975_200009817547 [1,1,0,0,0,0|2,0,0]=4 3288 B10R1.21 O=CCNCC1OCCO1 2230a_100000036311_200015260668 [1,1,0,0,0,0|2,0,0]=4 3289 B10R1.21 O=CCNCC1OCCO1 34a_100000036311_200009817547 [1,1,0,0,0,0|2,0,0]=4 3290 B10R1.21 O=CCNC[C@@H]1CCCO1 2230a_100020590478_200015260668 [1,1,0,0,0,0|1,0,0]=3 3291 B10R1.21 O=CCNC[C@@H]1CCCO1 34a_100020590478_200009817547 [1,1,0,0,0,0|1,0,0]=3 3292 B10R1.21 O=CCOCC1CCCC1 34a_100000742336_200009817547 [1,1,0,0,0,0|1,0,0]=3 3293 B10R1.21 O=CCOCC1CCCC1 7a_100000742336_200015260668 [1,1,0,0,0,0|1,0,0]=3 3294 B10R1.21 O=CCOCC1CCCO1 34a_100000210270_200009817547 [1,1,0,0,0,0|0,0,0]=2 3295 B10R1.21 O=CCOCC1CCCO1 7a_100000210270_200015260668 [1,1,0,0,0,0|0,0,0]=2 3296 B10R1.21 O=CCOCC1CCNC1 34a_100000748654_200009817547 [1,1,0,0,0,0|2,0,0]=4 3297 B10R1.21 O=CCOCC1CCOC1 34a_100000740260_200009817547 [1,1,0,0,0,0|2,0,0]=4 3298 B10R1.21 O=CCOCC1COCO1 34a_100011216627_200009817547 [1,1,0,0,0,0|1,0,0]=3 3299 B10R1.21 O=CCOCC1OCCO1 34a_100000087154_200009817547 [1,1,0,0,0,0|1,0,0]=3 3300 B10R1.21 O=CCOC[C@H]1CCCN1 34a_100000745186_200009817547 [1,1,0,0,0,0|1,0,0]=3 3301 B10R1.21 O=CCSCC1CCCC1 62a_100000740388_200015260668 [1,1,0,0,0,0|1,1,0]=4 3302 B10R1.21 O=CCSCC1CCCC1 62a_200015260668_100000740388 [1,1,0,0,0,0|1,1,0]=4 3303 B10R1.21 O=CCSCC1CCCO1 62a_100000203698_200015260668 [1,1,0,0,0,0|0,1,0]=3 3304 B10R1.21 O=CCSCC1CCCO1 62a_200015260668_100000203698 [1,1,0,0,0,0|0,1,0]=3 3305 B10R1.21 O=CCSCC1OCCO1 62a_100000755774_200015260668 [1,1,0,0,0,0|1,1,0]=4 3306 B10R1.21 O=CCSCC1OCCO1 62a_200015260668_100000755774 [1,1,0,0,0,0|1,1,0]=4 3307 B10R1.21 OCCNCC1CCCO1 2230a_100016997473_100000203698 [1,1,0,0,0,0|1,0,1]=4 3308 B10R1.21 OCCNC[C@@H]1CCCO1 2230a_100020590478_100000211926 [1,1,0,0,0,0|1,0,1]=4 3309 B10R1.21 OCCNC[C@@H]1CCCO1 34a_100020590478_100000211926 [1,1,0,0,0,0|1,0,1]=4 3310 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [1,1,0,0,0,0|1,0,1]=4 3311 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [1,1,0,0,0,0|1,0,1]=4 3312 B10R1.21 OCCOCC1CCCO1 34a_100000210270_100000211926 [1,1,0,0,0,0|0,0,1]=3 3313 B10R1.21 OCCOCC1CCCO1 7a_100000210270_100000211926 [1,1,0,0,0,0|0,0,1]=3 3314 B10R1.21 OCCOCC1COCO1 34a_100011216627_100000211926 [1,1,0,0,0,0|1,0,1]=4 3315 B10R1.21 OCCOCC1OCCO1 34a_100000087154_100000211926 [1,1,0,0,0,0|1,0,1]=4 3316 B10R1.21 OCCOC[C@H]1CCCN1 34a_100000745186_100000211926 [1,1,0,0,0,0|1,0,1]=4 3317 B10R1.21 OCCSCC1CCCO1 62a_100000203698_100000211926 [1,1,0,0,0,0|0,1,1]=4 3318 B10R1.21 OCCSCC1CCCO1 62a_100000211926_100000203698 [1,1,0,0,0,0|0,1,1]=4 3319 B10R1.27 C=CC(=O)CC1CCCO1 1458a_100000185746_100000203698 [1,1,0,0,0,0|1,0,1]=4 3320 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [1,1,0,0,0,0|1,0,1]=4 3321 B10R1.27 CCN(C)CC1CCCO1 2230a_100000186375_200000210301 [1,1,0,0,0,0|1,0,1]=4 3322 B10R1.27 CCN(C)CC1CCCO1 2230a_100000225621_100000203698 [1,1,0,0,0,0|1,0,1]=4 3323 B10R1.27 CCN(C)CC1CCCO1 2230a_100102946541_100000210202 [1,1,0,0,0,0|1,0,1]=4 3324 B10R1.27 CCN(C)CC1CCCO1 269982a_100000186375_200000210301 [1,1,0,0,0,0|1,0,1]=4 3325 B10R1.27 CCN(C)CC1CCCO1 269982a_100000225621_100000183445 [1,1,0,0,0,0|1,0,1]=4 3326 B10R1.27 CCN(C)CC1CCCO1 269982a_100102946541_100000204670 [1,1,0,0,0,0|1,0,1]=4 3327 B10R1.27 CCN(C)CC1CCCO1 34a_100000186375_200000210301 [1,1,0,0,0,0|1,0,1]=4 3328 B10R1.27 CCN(C)CC1CCCO1 34a_100102946541_100000210202 [1,1,0,0,0,0|1,0,1]=4 3329 B10R1.27 CCN([13CH3])CC1CCCO1 2230a_100000186375_200025704644 [1,1,0,0,0,0|1,0,1]=4 3330 B10R1.27 CCN([13CH3])CC1CCCO1 269982a_100000186375_200025704644 [1,1,0,0,0,0|1,0,1]=4 3331 B10R1.27 CCN([13CH3])CC1CCCO1 34a_100000186375_200025704644 [1,1,0,0,0,0|1,0,1]=4 3332 B10R1.29 CCOCC1CCCN1C 34a_100000743107_100000210202 [1,1,0,0,0,0|1,0,1]=4 3333 B10R1.216 CCOCC1(CCCC1)N 34a_100000749328_100000210202 [1,1,0,0,0,0|1,0,1]=4 3334 B10R1.216 CCOC[C@@]1(CCCN1)C 34a_100016195882_100000210202 [1,1,0,0,0,0|1,0,1]=4 3335 B10R1.23 CC(=O)C(C)N1CCCC1 1458a_100025750167_200000210301 [0,1,0,0,1,0|2,0,0]=4 3336 B10R1.23 CC(=O)C(C)N1CCCC1 2230a_100000188435_100009814033 [0,1,0,0,1,0|2,0,0]=4 3337 B10R1.23 CC(=O)C(C)N1CCCC1 269982a_100000188435_100009814033 [0,1,0,0,1,0|2,0,0]=4 3338 B10R1.23 CC(=O)N(C)C1CCCC1 11a_100000207505_100015343762 [0,1,0,0,1,0|2,0,0]=4 3339 B10R1.23 CC(=O)N(C)C1CCCC1 1626a_100000207505_100015343762 [0,1,0,0,1,0|2,0,0]=4 3340 B10R1.23 CC(=O)N(C)C1CCCC1 240690a_100000207505_100015343762 [0,1,0,0,1,0|2,0,0]=4 3341 B10R1.23 CC(=O)N(C)C1CCCC1 527a_100000207505_100103153847 [0,1,0,0,1,0|2,0,0]=4 3342 B10R1.23 CC(C(=O)[13CH3])N1CCCC1 1458a_100025750167_200025704644 [0,1,0,0,1,0|2,0,0]=4 3343 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,1,0,0,1,0|1,0,1]=4 3344 B10R1.54 CC(=O)CC1CCN(C1)C 1458a_100000070787_200000690779 [0,1,0,0,1,0|2,0,0]=4 3345 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,1,0,0,1,0|1,0,1]=4 3346 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,1,0,0,1,0|1,0,1]=4 3347 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,1,0,0,1,0|1,0,1]=4 3348 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,1,0,0,1,0|2,0,0]=4 3349 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,1,0,0,1,0|2,0,0]=4 3350 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,1,0,0,1,0|1,0,1]=4 3351 B10R1.64 CC(=O)CN1CCCC1=O 1458a_100000189602_200000210301 [0,1,0,0,1,0|2,0,0]=4 3352 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,1,0,0,1,0|2,0,0]=4 3353 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,1,0,0,1,0|2,0,0]=4 3354 B10R1.64 [13CH3]C(=O)CN1CCCC1=O 1458a_100000189602_200025704644 [0,1,0,0,1,0|2,0,0]=4 3355 B10R1.281 CC(C)(C)OC1CCCO1 34a_100000085407_100000210625 [0,1,0,0,1,0|1,0,1]=4 3356 B10R1.370 CC(=O)CC1(OCCO1)C 1458a_100000137474_200000210301 [0,1,0,0,1,0|1,0,0]=3 3357 B10R1.370 CC1(OCCO1)CC(=O)[13CH3] 1458a_100000137474_200025704644 [0,1,0,0,1,0|1,0,0]=3 3358 B10R1.82 C=C1CC(C1)CNC(=O)C 11a_100102567296_100015343762 [0,1,0,0,1,0|1,0,1]=4 3359 B10R1.82 C=C1CC(C1)CNC(=O)C 1626a_100102567296_100015343762 [0,1,0,0,1,0|1,0,1]=4 3360 B10R1.82 C=C1CC(C1)CNC(=O)C 240690a_100102567296_100015343762 [0,1,0,0,1,0|1,0,1]=4 3361 B10R1.82 C=C1CC(C1)CNC(=O)C 527a_100102567296_100103153847 [0,1,0,0,1,0|1,0,1]=4 3362 B10R1.82 CC(=O)CCN1CC(C1)C 269982a_100000702820_100000053229 [0,1,0,0,1,0|2,0,0]=4 3363 B10R1.82 CC(=O)CCN1CC(C1)F 269982a_100000690557_100000053229 [0,1,0,0,1,0|2,0,0]=4 3364 B10R1.82 CC(=O)CCN1CC(C1)O 269982a_100000749847_100000053229 [0,1,0,0,1,0|2,0,0]=4 3365 B10R1.82 CC(=O)NCC1CC(C1)O 11a_100016992100_100015343762 [0,1,0,0,1,0|1,0,0]=3 3366 B10R1.82 CC(=O)NCC1CC(C1)O 240690a_100016992100_100015343762 [0,1,0,0,1,0|1,0,0]=3 3367 B10R1.82 CC(=O)NCC1CN(C1)C 240690a_100000723568_100015343762 [0,1,0,0,1,0|2,0,0]=4 3368 B10R1.82 CC(=O)OCN1CC(C1)C 269982a_100000702820_100000076356 [0,1,0,0,1,0|1,0,0]=3 3369 B10R1.82 CC(=O)OCN1CC(C1)C 34a_100000702820_100009813279 [0,1,0,0,1,0|1,0,0]=3 3370 B10R1.82 CC(=O)OCN1CC(C1)F 269982a_100000690557_100000076356 [0,1,0,0,1,0|1,0,0]=3 3371 B10R1.82 CC(=O)OCN1CC(C1)F 34a_100000690557_100009813279 [0,1,0,0,1,0|1,0,0]=3 3372 B10R1.82 CC(=O)OCN1CC(C1)O 269982a_100000749847_100000076356 [0,1,0,0,1,0|1,0,0]=3 3373 B10R1.82 CC(C)OCC1CC(C1)Cl 34a_100009874164_100000210206 [0,1,0,0,1,0|1,0,1]=4 3374 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,1,0,0,1,0|1,0,1]=4 3375 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,1,0,0,1,0|2,0,0]=4 3376 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [0,1,0,0,1,0|1,0,0]=3 3377 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [0,1,0,0,1,0|1,0,0]=3 3378 B10R1.151 C#CC(C)OCC1CCC1 34a_100000760304_200000035995 [0,1,0,0,1,0|1,0,1]=4 3379 B10R1.151 C#CC(C)OCC1CCO1 34a_100000039022_200000035995 [0,1,0,0,1,0|1,0,1]=4 3380 B10R1.151 C#C[C@@H](C)OCC1CCC1 34a_100009815206_100000763275 [0,1,0,0,1,0|1,0,1]=4 3381 B10R1.151 C#C[C@@H](C)OCC1CCC1 7a_100009815206_100000763275 [0,1,0,0,1,0|1,0,1]=4 3382 B10R1.151 C#C[C@@H](C)OCC1CCO1 34a_100009815206_100000103362 [0,1,0,0,1,0|1,0,1]=4 3383 B10R1.151 C#C[C@@H](C)OCC1CCO1 7a_100009815206_100000103362 [0,1,0,0,1,0|1,0,1]=4 3384 B10R1.151 C=CC(=O)NCC1CCC1 1626a_100000738700_100000185746 [0,1,0,0,1,0|1,0,1]=4 3385 B10R1.151 C=CC(=O)NCC1CCC1 240690a_100000738700_200121576911 [0,1,0,0,1,0|1,0,1]=4 3386 B10R1.151 C=CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000185746 [0,1,0,0,1,0|1,0,1]=4 3387 B10R1.151 C=CC(=O)NC[C@@H]1CCO1 240690a_100020831831_200121576911 [0,1,0,0,1,0|1,0,1]=4 3388 B10R1.151 C=CC(C)OCC1CCC1 34a_100000695699_100000763275 [0,1,0,0,1,0|1,0,1]=4 3389 B10R1.151 C=CC(C)OCC1CCO1 34a_100000695699_100000103362 [0,1,0,0,1,0|1,0,1]=4 3390 B10R1.151 CC(C#N)OCC1CCC1 34a_100011218135_100000763275 [0,1,0,0,1,0|1,0,1]=4 3391 B10R1.151 CC(C#N)OCC1CCO1 34a_100011218135_100000103362 [0,1,0,0,1,0|1,0,1]=4 3392 B10R1.151 CC(CF)OCC1CCC1 34a_100016041109_100000763275 [0,1,0,0,1,0|1,0,1]=4 3393 B10R1.151 CC(CF)OCC1CCC1 7a_100016041109_100000763275 [0,1,0,0,1,0|1,0,1]=4 3394 B10R1.151 CC(CF)OCC1CCO1 34a_100016041109_100000103362 [0,1,0,0,1,0|1,0,1]=4 3395 B10R1.151 CC(CF)OCC1CCO1 7a_100016041109_100000103362 [0,1,0,0,1,0|1,0,1]=4 3396 B10R1.151 CC(CN)OCC1CCC1 34a_100000210904_100000763275 [0,1,0,0,1,0|1,0,1]=4 3397 B10R1.151 CC(CN)OCC1CCO1 34a_100000210904_100000103362 [0,1,0,0,1,0|1,0,1]=4 3398 B10R1.151 CC(CO)OCC1CCC1 34a_100000760304_100012180447 [0,1,0,0,1,0|0,0,2]=4 3399 B10R1.151 CC(CO)OCC1CCO1 34a_100000039022_100012180447 [0,1,0,0,1,0|0,0,2]=4 3400 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [0,1,0,0,1,0|2,0,0]=4 3401 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [0,1,0,0,1,0|2,0,0]=4 3402 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [0,1,0,0,1,0|1,0,0]=3 3403 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [0,1,0,0,1,0|1,0,0]=3 3404 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [0,1,0,0,1,0|1,0,0]=3 3405 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [0,1,0,0,1,0|1,0,0]=3 3406 B10R1.151 CCC(=O)NCC1COC1 11a_100015281925_100000210414 [0,1,0,0,1,0|2,0,0]=4 3407 B10R1.151 CCC(=O)NCC1COC1 1626a_100015281925_100000210414 [0,1,0,0,1,0|2,0,0]=4 3408 B10R1.151 CCC(=O)NCC1COC1 240690a_100015281925_100000210414 [0,1,0,0,1,0|2,0,0]=4 3409 B10R1.151 CCC(=O)NCC1COC1 527a_100015281925_100000210414 [0,1,0,0,1,0|2,0,0]=4 3410 B10R1.151 CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210414 [0,1,0,0,1,0|1,0,0]=3 3411 B10R1.151 CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210414 [0,1,0,0,1,0|1,0,0]=3 3412 B10R1.151 CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210414 [0,1,0,0,1,0|1,0,0]=3 3413 B10R1.151 CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210414 [0,1,0,0,1,0|1,0,0]=3 3414 B10R1.151 CCC(=O)NNC1CCC1 22a_100000736358_100000210414 [0,1,0,0,1,0|2,0,0]=4 3415 B10R1.151 CCC(C)OCC1CCC1 34a_100000760304_100011215416 [0,1,0,0,1,0|1,0,1]=4 3416 B10R1.151 CCC(C)OCC1CCC1 7a_100000210228_100000763275 [0,1,0,0,1,0|1,0,1]=4 3417 B10R1.151 CCC(C)OCC1CCO1 34a_100000039022_100011215416 [0,1,0,0,1,0|1,0,1]=4 3418 B10R1.151 CCC(C)OCC1CCO1 7a_100000210228_100000103362 [0,1,0,0,1,0|1,0,1]=4 3419 B10R1.151 CNC(=O)CCN1CCC1 269982a_100000754969_100000737683 [0,1,0,0,1,0|2,0,0]=4 3420 B10R1.151 CNC(=O)CNC1CCC1 2230a_100000749019_100000183359 [0,1,0,0,1,0|2,0,0]=4 3421 B10R1.151 CNC(=O)CNC1CCC1 270004a_100000693194_100000241760 [0,1,0,0,1,0|2,0,0]=4 3422 B10R1.151 CNC(=O)CNC1CCC1 34a_100000749019_100000183359 [0,1,0,0,1,0|2,0,0]=4 3423 B10R1.151 CNC(=O)COC1CCC1 34a_100000748187_100000183359 [0,1,0,0,1,0|2,0,0]=4 3424 B10R1.151 CNC(=O)COC1CCC1 34a_100000750040_100000749161 [0,1,0,0,1,0|2,0,0]=4 3425 B10R1.151 CNC(=O)CSC1CCC1 62a_100000183359_100000749161 [0,1,0,0,1,0|2,0,0]=4 3426 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [0,1,0,0,1,0|1,0,0]=3 3427 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [0,1,0,0,1,0|1,0,0]=3 3428 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [0,1,0,0,1,0|1,0,0]=3 3429 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [0,1,0,0,1,0|1,0,0]=3 3430 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [0,1,0,0,1,0|1,0,0]=3 3431 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [0,1,0,0,1,0|1,0,0]=3 3432 B10R1.151 CNC(=O)NCC1COC1 2708a_100015281925_106832991635 [0,1,0,0,1,0|2,0,0]=4 3433 B10R1.151 CNC(=O)NCC1COC1 2708a_100102657272_100015281925 [0,1,0,0,1,0|2,0,0]=4 3434 B10R1.151 CNC(=O)NCC1COC1 273464a_100015281925_100102657272 [0,1,0,0,1,0|2,0,0]=4 3435 B10R1.151 CNC(=O)NCC1COC1 273464a_100102657272_100015281925 [0,1,0,0,1,0|2,0,0]=4 3436 B10R1.151 CNC(=O)NCC1COC1 512a_100015281925_100102657272 [0,1,0,0,1,0|2,0,0]=4 3437 B10R1.151 CNC(=O)NCC1COC1 512a_106832991638_100015281925 [0,1,0,0,1,0|2,0,0]=4 3438 B10R1.151 CNC(=O)NC[C@@H]1CCO1 2708a_100020831831_106832991635 [0,1,0,0,1,0|1,0,0]=3 3439 B10R1.151 CNC(=O)NC[C@@H]1CCO1 2708a_100102657272_100020831831 [0,1,0,0,1,0|1,0,0]=3 3440 B10R1.151 CNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100102657272 [0,1,0,0,1,0|1,0,0]=3 3441 B10R1.151 CNC(=O)NC[C@@H]1CCO1 273464a_100102657272_100020831831 [0,1,0,0,1,0|1,0,0]=3 3442 B10R1.151 CNC(=O)NC[C@@H]1CCO1 512a_100020831831_100102657272 [0,1,0,0,1,0|1,0,0]=3 3443 B10R1.151 CNC(=O)NC[C@@H]1CCO1 512a_106832991638_100020831831 [0,1,0,0,1,0|1,0,0]=3 3444 B10R1.151 CNC(=O)NNC1CCC1 273464a_100102657272_100000736358 [0,1,0,0,1,0|2,0,0]=4 3445 B10R1.151 CNC(=O)NNC1CCC1 512a_100000736358_100102657272 [0,1,0,0,1,0|2,0,0]=4 3446 B10R1.151 CNC(=O)NNC1CCC1 512a_106832991638_100000736358 [0,1,0,0,1,0|2,0,0]=4 3447 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [0,1,0,0,1,0|2,0,0]=4 3448 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [0,1,0,0,1,0|2,0,0]=4 3449 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [0,1,0,0,1,0|2,0,0]=4 3450 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [0,1,0,0,1,0|2,0,0]=4 3451 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [0,1,0,0,1,0|2,0,0]=4 3452 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,1,0,0,1,0|1,0,0]=3 3453 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,1,0,0,1,0|1,0,0]=3 3454 B10R1.151 O=C(CO)NCC1COC1 240690a_100015281925_100000210174 [0,1,0,0,1,0|2,0,0]=4 3455 B10R1.151 O=C(CO)NCC1COC1 527a_100015281925_100000210174 [0,1,0,0,1,0|2,0,0]=4 3456 B10R1.151 O=C(CO)NC[C@@H]1CCO1 240690a_100020831831_100000210174 [0,1,0,0,1,0|1,0,0]=3 3457 B10R1.151 O=C(CO)NC[C@@H]1CCO1 527a_100020831831_100000210174 [0,1,0,0,1,0|1,0,0]=3 3458 B10R1.151 O=C(CO)NNC1CCC1 22a_100000736358_100000210174 [0,1,0,0,1,0|2,0,0]=4 3459 B10R1.204 C=C(C)C(=O)CC1CCC1 1458a_100000185857_100000763275 [0,1,0,0,1,0|2,0,0]=4 3460 B10R1.204 C=C(C)C(=O)CC1CCO1 1458a_100000185857_100000103362 [0,1,0,0,1,0|2,0,0]=4 3461 B10R1.204 CC(=O)C(=O)CN1CCC1 269982a_100000754969_100011261029 [0,1,0,0,1,0|2,0,0]=4 3462 B10R1.204 CC(=O)C(C)NC1CCC1 2230a_100000749019_100009814033 [0,1,0,0,1,0|2,0,0]=4 3463 B10R1.204 CC(=O)C(C)OC1CCC1 34a_100000212229_100000749161 [0,1,0,0,1,0|2,0,0]=4 3464 B10R1.204 CC(=O)C(C)SC1CCC1 62a_100009814033_100000749161 [0,1,0,0,1,0|2,0,0]=4 3465 B10R1.204 CC(=O)N(C)CC1CCC1 11a_200000750244_100015343762 [0,1,0,0,1,0|1,0,0]=3 3466 B10R1.204 CC(=O)N(C)CC1CCC1 1626a_200000750244_100015343762 [0,1,0,0,1,0|1,0,0]=3 3467 B10R1.204 CC(=O)N(C)CC1CCC1 240690a_200000750244_100015343762 [0,1,0,0,1,0|1,0,0]=3 3468 B10R1.204 CC(=O)N(C)CC1CCC1 527a_200000750244_100103153847 [0,1,0,0,1,0|1,0,0]=3 3469 B10R1.209 CC(C)(C)OCC1CCC1 34a_100000760304_100000210625 [0,1,0,0,1,0|1,0,1]=4 3470 B10R1.209 CC(C)(C)OCC1CCC1 34a_100015890283_100000763275 [0,1,0,0,1,0|1,0,1]=4 3471 B10R1.209 CC(C)(C)OCC1CCC1 7a_100015890283_100000763275 [0,1,0,0,1,0|1,0,1]=4 3472 B10R1.209 CC(C)(C)OCC1CCO1 34a_100000039022_100000210625 [0,1,0,0,1,0|1,0,1]=4 3473 B10R1.209 CC(C)(C)OCC1CCO1 34a_100015890283_100000103362 [0,1,0,0,1,0|1,0,1]=4 3474 B10R1.209 CC(C)(C)OCC1CCO1 7a_100015890283_100000103362 [0,1,0,0,1,0|1,0,1]=4 3475 B10R1.209 CS(=O)(=O)NCC1CCC1 40a_100000738700_100000738038 [0,1,0,0,1,0|2,0,0]=4 3476 B10R1.209 CS(=O)(=O)NC[C@@H]1CCO1 40a_100020831831_100000738038 [0,1,0,0,1,0|2,0,0]=4 3477 B10R1.266 CC(=O)CC(=O)C1CCC1 1458a_100000070787_100000686122 [0,1,0,0,1,0|1,0,1]=4 3478 B10R1.266 CC(=O)NC(C)C1CCC1 11a_100016994624_100015343762 [0,1,0,0,1,0|1,0,0]=3 3479 B10R1.266 CC(=O)NC(C)C1CCC1 1626a_100016994624_100015343762 [0,1,0,0,1,0|1,0,0]=3 3480 B10R1.266 CC(=O)NC(C)C1CCC1 240690a_100016994624_100015343762 [0,1,0,0,1,0|1,0,0]=3 3481 B10R1.266 CC(=O)NC(C)C1CCC1 527a_100016994624_100103153847 [0,1,0,0,1,0|1,0,0]=3 3482 B10R1.266 CC(=O)OC(C)N1CCC1 269982a_100000754969_100009818208 [0,1,0,0,1,0|1,0,0]=3 3483 B10R1.266 CC(C)OC(C)C1CCC1 34a_100000766398_100000210206 [0,1,0,0,1,0|1,0,1]=4 3484 B10R1.266 CC(C)OC(C)C1CCC1 7a_100000766398_100000210206 [0,1,0,0,1,0|1,0,1]=4 3485 B10R1.353 CC(=O)NCC1(CCC1)C 11a_100000706607_100015343762 [0,1,0,0,1,0|1,0,0]=3 3486 B10R1.353 CC(=O)NCC1(CCC1)C 1626a_100000706607_100015343762 [0,1,0,0,1,0|1,0,0]=3 3487 B10R1.353 CC(=O)NCC1(CCC1)C 240690a_100000706607_100015343762 [0,1,0,0,1,0|1,0,0]=3 3488 B10R1.353 CC(=O)NCC1(CCC1)C 527a_100000706607_100103153847 [0,1,0,0,1,0|1,0,0]=3 3489 B10R1.353 CC(=O)NCC1(CCC1)O 11a_100000752638_100015343762 [0,1,0,0,1,0|1,0,0]=3 3490 B10R1.353 CC(=O)NCC1(CCC1)O 1626a_100000752638_100015343762 [0,1,0,0,1,0|1,0,0]=3 3491 B10R1.353 CC(=O)NCC1(CCC1)O 240690a_100000752638_100015343762 [0,1,0,0,1,0|1,0,0]=3 3492 B10R1.353 CC(=O)NCC1(CCC1)O 527a_100000752638_100103153847 [0,1,0,0,1,0|1,0,0]=3 3493 B10R1.353 CC(=O)NCC1(COC1)C 1626a_100020631278_100015343762 [0,1,0,0,1,0|2,0,0]=4 3494 B10R1.353 CC(=O)NCC1(COC1)C 527a_100020631278_100103153847 [0,1,0,0,1,0|2,0,0]=4 3495 B10R1.353 CC(=O)NCC1(COC1)O 11a_100010264505_100015343762 [0,1,0,0,1,0|2,0,0]=4 3496 B10R1.353 CC(=O)NCC1(COC1)O 240690a_100010264505_100015343762 [0,1,0,0,1,0|2,0,0]=4 3497 B10R1.353 CC(=O)NCC1(COC1)O 527a_100010264505_100103153847 [0,1,0,0,1,0|2,0,0]=4 3498 B10R1.353 CC(C)OCC1(CCC1)C 34a_100000212225_100000726658 [0,1,0,0,1,0|1,0,1]=4 3499 B12R1.21 C=C1CCN(CC1)COC(=O)C 269982a_100000752442_100000076356 [0,1,0,0,0,1|2,0,0]=4 3500 B12R1.21 C=C1CCN(CC1)COC(=O)C 34a_100000752442_100009813279 [0,1,0,0,0,1|2,0,0]=4 3501 B12R1.21 CC(=O)NCC1CCC(CC1)C 11a_103436935547_100015343762 [0,1,0,0,0,1|2,0,0]=4 3502 B12R1.21 CC(=O)NCC1CCC(CC1)C 1626a_103436935547_100015343762 [0,1,0,0,0,1|2,0,0]=4 3503 B12R1.21 CC(=O)NCC1CCC(CC1)C 240690a_103436935547_100015343762 [0,1,0,0,0,1|2,0,0]=4 3504 B12R1.21 CC(=O)NCC1CCC(CC1)C 527a_103436935547_100103153847 [0,1,0,0,0,1|2,0,0]=4 3505 B12R1.21 CC(=O)NCC1CCN(CC1)C 2230a_100011206997_200000210301 [0,1,0,0,0,1|2,0,0]=4 3506 B12R1.21 CC(=O)NCC1CCN(CC1)C 240690a_100000746316_100015343762 [0,1,0,0,0,1|2,0,0]=4 3507 B12R1.21 CC(=O)NCC1CCN(CC1)C 269982a_100011206997_200000210301 [0,1,0,0,0,1|2,0,0]=4 3508 B12R1.21 CC(=O)NCC1CCN(CC1)C 34a_100011206997_200000210301 [0,1,0,0,0,1|2,0,0]=4 3509 B12R1.21 CC(=O)NCC1CCN(CC1)C 527a_100000746316_100103153847 [0,1,0,0,0,1|2,0,0]=4 3510 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 2230a_100011206997_200025704644 [0,1,0,0,0,1|2,0,0]=4 3511 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 269982a_100011206997_200025704644 [0,1,0,0,0,1|2,0,0]=4 3512 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 34a_100011206997_200025704644 [0,1,0,0,0,1|2,0,0]=4 3513 B12R1.21 CC(=O)OCC1CCN(CC1)C 2230a_100025751628_200000210301 [0,1,0,0,0,1|1,0,0]=3 3514 B12R1.21 CC(=O)OCC1CCN(CC1)C 269982a_100025751628_200000210301 [0,1,0,0,0,1|1,0,0]=3 3515 B12R1.21 CC(=O)OCC1CCN(CC1)[13CH3] 2230a_100025751628_200025704644 [0,1,0,0,0,1|1,0,0]=3 3516 B12R1.21 CC(=O)OCC1CCN(CC1)[13CH3] 269982a_100025751628_200025704644 [0,1,0,0,0,1|1,0,0]=3 3517 B12R1.21 CC(=O)OCN1CCC(CC1)C 269982a_100000188429_100000076356 [0,1,0,0,0,1|2,0,0]=4 3518 B12R1.21 CC(=O)OCN1CCC(CC1)C 34a_100000188429_100009813279 [0,1,0,0,0,1|2,0,0]=4 3519 B12R1.21 CC(=O)OCN1CCC(CC1)F 269982a_100015193889_100000076356 [0,1,0,0,0,1|2,0,0]=4 3520 B12R1.21 CC(=O)OCN1CCC(CC1)F 34a_100015193889_100009813279 [0,1,0,0,0,1|2,0,0]=4 3521 B12R1.21 CC(=O)OCN1CCC(CC1)O 269982a_100025773856_100000076356 [0,1,0,0,0,1|2,0,0]=4 3522 B12R1.21 CC(=O)OCN1CCN(CC1)C 269982a_100000188432_100000076356 [0,1,0,0,0,1|2,0,0]=4 3523 B12R1.21 CC(=O)OCN1CCS(=O)CC1 269982a_100000752083_100000076356 [0,1,0,0,0,1|2,0,0]=4 3524 B12R1.27 C#CC(=O)CCC1OCCCO1 1458a_100000211873_100000764188 [0,1,0,0,0,1|1,0,1]=4 3525 B12R1.27 C#CC(C)OCC1CCCCO1 34a_100000211370_200000035995 [0,1,0,0,0,1|1,0,1]=4 3526 B12R1.27 C#CC(C)OCC1CCCOC1 34a_100000741520_200000035995 [0,1,0,0,0,1|1,0,1]=4 3527 B12R1.27 C#CC(C)OC[C@@H]1CNCCO1 34a_100015189573_200000035995 [0,1,0,0,0,1|1,0,1]=4 3528 B12R1.27 C#CC(C)OC[C@H]1COCCO1 34a_100009875890_200000035995 [0,1,0,0,0,1|1,0,1]=4 3529 B12R1.27 C#C[C@@H](C)OCC1CCCCO1 34a_100009815206_100000211543 [0,1,0,0,0,1|1,0,1]=4 3530 B12R1.27 C#C[C@@H](C)OCC1CCCCO1 7a_100009815206_100000211543 [0,1,0,0,0,1|1,0,1]=4 3531 B12R1.27 C#C[C@@H](C)OCC1CCCOC1 34a_100009815206_100000741521 [0,1,0,0,0,1|1,0,1]=4 3532 B12R1.27 C#C[C@@H](C)OCC1CCCOC1 7a_100009815206_100000741521 [0,1,0,0,0,1|1,0,1]=4 3533 B12R1.27 C=CC(=O)CCC1OCCCO1 1458a_100000185746_100000764188 [0,1,0,0,0,1|1,0,1]=4 3534 B12R1.27 C=CC(=O)NCC1CCCCO1 1626a_100000174945_100000185746 [0,1,0,0,0,1|1,0,1]=4 3535 B12R1.27 C=CC(=O)NCC1CCCCO1 240690a_100000174945_200121576911 [0,1,0,0,0,1|1,0,1]=4 3536 B12R1.27 C=CC(=O)NCC1CCCOC1 1626a_100000720124_100000185746 [0,1,0,0,0,1|1,0,1]=4 3537 B12R1.27 C=CC(=O)NCC1CCCOC1 240690a_100000720124_200121576911 [0,1,0,0,0,1|1,0,1]=4 3538 B12R1.27 C=CC(=O)NC[C@H]1COCCO1 1626a_100010981119_100000185746 [0,1,0,0,0,1|1,0,1]=4 3539 B12R1.27 C=CC(=O)NC[C@H]1COCCO1 240690a_100010981119_200121576911 [0,1,0,0,0,1|1,0,1]=4 3540 B12R1.27 C=CC(C)OCC1CCCCO1 34a_100000695699_100000211543 [0,1,0,0,0,1|1,0,1]=4 3541 B12R1.27 C=CC(C)OCC1CCCOC1 34a_100000695699_100000741521 [0,1,0,0,0,1|1,0,1]=4 3542 B12R1.27 CC(C#N)OCC1CCCCO1 34a_100011218135_100000211543 [0,1,0,0,0,1|1,0,1]=4 3543 B12R1.27 CC(C#N)OCC1CCCCO1 7a_100000211370_100000703298 [0,1,0,0,0,1|1,0,1]=4 3544 B12R1.27 CC(C#N)OCC1CCCOC1 34a_100011218135_100000741521 [0,1,0,0,0,1|1,0,1]=4 3545 B12R1.27 CC(CF)OCC1CCCCO1 34a_100016041109_100000211543 [0,1,0,0,0,1|1,0,1]=4 3546 B12R1.27 CC(CF)OCC1CCCCO1 7a_100016041109_100000211543 [0,1,0,0,0,1|1,0,1]=4 3547 B12R1.27 CC(CF)OCC1CCCOC1 34a_100016041109_100000741521 [0,1,0,0,0,1|1,0,1]=4 3548 B12R1.27 CC(CF)OCC1CCCOC1 7a_100016041109_100000741521 [0,1,0,0,0,1|1,0,1]=4 3549 B12R1.27 CC(CN)OCC1CCCCO1 34a_100000210904_100000211543 [0,1,0,0,0,1|1,0,1]=4 3550 B12R1.27 CC(CN)OCC1CCCOC1 34a_100000210904_100000741521 [0,1,0,0,0,1|1,0,1]=4 3551 B12R1.27 CC(CO)OCC1CCCCO1 34a_100000211370_100012180447 [0,1,0,0,0,1|0,0,2]=4 3552 B12R1.27 CC(CO)OCC1CCCCO1 7a_100000211370_100012180447 [0,1,0,0,0,1|0,0,2]=4 3553 B12R1.27 CC(CO)OCC1CCCOC1 34a_100000741520_100012180447 [0,1,0,0,0,1|0,0,2]=4 3554 B12R1.27 CC(CO)OC[C@@H]1CNCCO1 34a_100015189573_100012180447 [0,1,0,0,0,1|0,0,2]=4 3555 B12R1.27 CC(CO)OC[C@H]1COCCO1 34a_100009875890_100012180447 [0,1,0,0,0,1|0,0,2]=4 3556 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [0,1,0,0,0,1|2,0,0]=4 3557 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [0,1,0,0,0,1|2,0,0]=4 3558 B12R1.27 CCC(=O)CCC1CCOCC1 1458a_100000210414_100011934994 [0,1,0,0,0,1|2,0,0]=4 3559 B12R1.27 CCC(=O)CCC1OCCCO1 1458a_100000210414_100000764188 [0,1,0,0,0,1|1,0,0]=3 3560 B12R1.27 CCC(=O)CCN1CCCCO1 1458a_200015184090_100000210202 [0,1,0,0,0,1|2,0,0]=4 3561 B12R1.27 CCC(=O)COC1CCCOC1 34a_100000725409_100000693364 [0,1,0,0,0,1|2,0,0]=4 3562 B12R1.27 CCC(=O)CSC1CCCOC1 62a_100000747405_100000693364 [0,1,0,0,0,1|2,0,0]=4 3563 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [0,1,0,0,0,1|2,0,0]=4 3564 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [0,1,0,0,0,1|2,0,0]=4 3565 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [0,1,0,0,0,1|2,0,0]=4 3566 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [0,1,0,0,0,1|2,0,0]=4 3567 B12R1.27 CCC(=O)NCC1CCCCO1 11a_100000174945_100000210414 [0,1,0,0,0,1|1,0,0]=3 3568 B12R1.27 CCC(=O)NCC1CCCCO1 1626a_100000174945_100000210414 [0,1,0,0,0,1|1,0,0]=3 3569 B12R1.27 CCC(=O)NCC1CCCCO1 240690a_100000174945_100000210414 [0,1,0,0,0,1|1,0,0]=3 3570 B12R1.27 CCC(=O)NCC1CCCCO1 527a_100000174945_100000210414 [0,1,0,0,0,1|1,0,0]=3 3571 B12R1.27 CCC(=O)NCC1CCCOC1 11a_100000720124_100000210414 [0,1,0,0,0,1|1,0,0]=3 3572 B12R1.27 CCC(=O)NCC1CCCOC1 1626a_100000720124_100000210414 [0,1,0,0,0,1|1,0,0]=3 3573 B12R1.27 CCC(=O)NCC1CCCOC1 240690a_100000720124_100000210414 [0,1,0,0,0,1|1,0,0]=3 3574 B12R1.27 CCC(=O)NCC1CCCOC1 527a_100000720124_100000210414 [0,1,0,0,0,1|1,0,0]=3 3575 B12R1.27 CCC(=O)NCC1CCOCC1 11a_100000746373_100000210414 [0,1,0,0,0,1|2,0,0]=4 3576 B12R1.27 CCC(=O)NCC1CCOCC1 1626a_100000746373_100000210414 [0,1,0,0,0,1|2,0,0]=4 3577 B12R1.27 CCC(=O)NCC1CCOCC1 240690a_100000746373_100000210414 [0,1,0,0,0,1|2,0,0]=4 3578 B12R1.27 CCC(=O)NCC1CCOCC1 527a_100000746373_100000210414 [0,1,0,0,0,1|2,0,0]=4 3579 B12R1.27 CCC(=O)NCC1CCSCC1 11a_100015188806_100000210414 [0,1,0,0,0,1|2,0,0]=4 3580 B12R1.27 CCC(=O)NCC1CCSCC1 240690a_100015188806_100000210414 [0,1,0,0,0,1|2,0,0]=4 3581 B12R1.27 CCC(=O)NCC1CCSCC1 527a_100015188806_100000210414 [0,1,0,0,0,1|2,0,0]=4 3582 B12R1.27 CCC(=O)NC[C@H]1COCCO1 11a_100010981119_100000210414 [0,1,0,0,0,1|1,0,0]=3 3583 B12R1.27 CCC(=O)NC[C@H]1COCCO1 1626a_100010981119_100000210414 [0,1,0,0,0,1|1,0,0]=3 3584 B12R1.27 CCC(=O)NC[C@H]1COCCO1 240690a_100010981119_100000210414 [0,1,0,0,0,1|1,0,0]=3 3585 B12R1.27 CCC(=O)NC[C@H]1COCCO1 527a_100010981119_100000210414 [0,1,0,0,0,1|1,0,0]=3 3586 B12R1.27 CCC(C)OCC1CCCCO1 34a_100000211370_100011215416 [0,1,0,0,0,1|1,0,1]=4 3587 B12R1.27 CCC(C)OCC1CCCCO1 7a_100000210228_100000211543 [0,1,0,0,0,1|1,0,1]=4 3588 B12R1.27 CCC(C)OCC1CCCCO1 7a_100000211370_100000758301 [0,1,0,0,0,1|1,0,1]=4 3589 B12R1.27 CCC(C)OCC1CCCOC1 34a_100000741520_100011215416 [0,1,0,0,0,1|1,0,1]=4 3590 B12R1.27 CCC(C)OCC1CCCOC1 7a_100000210228_100000741521 [0,1,0,0,0,1|1,0,1]=4 3591 B12R1.27 CCC(C)OC[C@@H]1CNCCO1 34a_100015189573_100011215416 [0,1,0,0,0,1|1,0,1]=4 3592 B12R1.27 CCC(C)OC[C@H]1COCCO1 34a_100009875890_100011215416 [0,1,0,0,0,1|1,0,1]=4 3593 B12R1.27 CNC(=O)CCC1CCCCC1 11a_106832991635_100000211375 [0,1,0,0,0,1|2,0,0]=4 3594 B12R1.27 CNC(=O)CCC1CCCCC1 1626a_100102657272_100000211375 [0,1,0,0,0,1|2,0,0]=4 3595 B12R1.27 CNC(=O)CCC1CCCCC1 240690a_100102657272_100000211375 [0,1,0,0,0,1|2,0,0]=4 3596 B12R1.27 CNC(=O)CCC1CCCCC1 527a_100102657272_100000211375 [0,1,0,0,0,1|2,0,0]=4 3597 B12R1.27 CNC(=O)CCN1CCCCO1 240690a_100102657272_200015184090 [0,1,0,0,0,1|2,0,0]=4 3598 B12R1.27 CNC(=O)CCN1CCCOC1 2230a_100000131196_100000737683 [0,1,0,0,0,1|2,0,0]=4 3599 B12R1.27 CNC(=O)CCN1CCCOC1 269982a_100000131196_100000737683 [0,1,0,0,0,1|2,0,0]=4 3600 B12R1.27 CNC(=O)CCN1CCCOC1 34a_100000131196_100012179268 [0,1,0,0,0,1|2,0,0]=4 3601 B12R1.27 CNC(=O)CNC1CCCOC1 2230a_100000719290_100000183359 [0,1,0,0,0,1|2,0,0]=4 3602 B12R1.27 CNC(=O)CNC1CCCOC1 270004a_100000693194_100000753404 [0,1,0,0,0,1|2,0,0]=4 3603 B12R1.27 CNC(=O)CNC1CCCOC1 34a_100000719290_100000183359 [0,1,0,0,0,1|2,0,0]=4 3604 B12R1.27 CNC(=O)COC1CCCCO1 34a_100000033831_100000183359 [0,1,0,0,0,1|2,0,0]=4 3605 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000750040_100000693364 [0,1,0,0,0,1|2,0,0]=4 3606 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000754041_100000183359 [0,1,0,0,0,1|2,0,0]=4 3607 B12R1.27 CNC(=O)CSC1CCCOC1 62a_100000183359_100000693364 [0,1,0,0,0,1|2,0,0]=4 3608 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100000210473_106832991635 [0,1,0,0,0,1|2,0,0]=4 3609 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100102657272_100000210473 [0,1,0,0,0,1|2,0,0]=4 3610 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100000210473_100102657272 [0,1,0,0,0,1|2,0,0]=4 3611 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100102657272_100000210473 [0,1,0,0,0,1|2,0,0]=4 3612 B12R1.27 CNC(=O)NCC1CCCCC1 512a_106832991638_100000210473 [0,1,0,0,0,1|2,0,0]=4 3613 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100000174945_106832991635 [0,1,0,0,0,1|1,0,0]=3 3614 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100102657272_100000174945 [0,1,0,0,0,1|1,0,0]=3 3615 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100000174945_100102657272 [0,1,0,0,0,1|1,0,0]=3 3616 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100102657272_100000174945 [0,1,0,0,0,1|1,0,0]=3 3617 B12R1.27 CNC(=O)NCC1CCCCO1 512a_100000174945_100102657272 [0,1,0,0,0,1|1,0,0]=3 3618 B12R1.27 CNC(=O)NCC1CCCCO1 512a_106832991638_100000174945 [0,1,0,0,0,1|1,0,0]=3 3619 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100000720124_106832991635 [0,1,0,0,0,1|1,0,0]=3 3620 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100102657272_100000720124 [0,1,0,0,0,1|1,0,0]=3 3621 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100000720124_100102657272 [0,1,0,0,0,1|1,0,0]=3 3622 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100102657272_100000720124 [0,1,0,0,0,1|1,0,0]=3 3623 B12R1.27 CNC(=O)NCC1CCCOC1 512a_100000720124_100102657272 [0,1,0,0,0,1|1,0,0]=3 3624 B12R1.27 CNC(=O)NCC1CCCOC1 512a_106832991638_100000720124 [0,1,0,0,0,1|1,0,0]=3 3625 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100000746373_106832991635 [0,1,0,0,0,1|2,0,0]=4 3626 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100102657272_100000746373 [0,1,0,0,0,1|2,0,0]=4 3627 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100000746373_100102657272 [0,1,0,0,0,1|2,0,0]=4 3628 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100102657272_100000746373 [0,1,0,0,0,1|2,0,0]=4 3629 B12R1.27 CNC(=O)NCC1CCOCC1 512a_100000746373_100102657272 [0,1,0,0,0,1|2,0,0]=4 3630 B12R1.27 CNC(=O)NCC1CCOCC1 512a_106832991638_100000746373 [0,1,0,0,0,1|2,0,0]=4 3631 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100015188806_106832991635 [0,1,0,0,0,1|2,0,0]=4 3632 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100102657272_100015188806 [0,1,0,0,0,1|2,0,0]=4 3633 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100015188806_100102657272 [0,1,0,0,0,1|2,0,0]=4 3634 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100102657272_100015188806 [0,1,0,0,0,1|2,0,0]=4 3635 B12R1.27 CNC(=O)NCC1CCSCC1 512a_100015188806_100102657272 [0,1,0,0,0,1|2,0,0]=4 3636 B12R1.27 CNC(=O)NCC1CCSCC1 512a_106832991638_100015188806 [0,1,0,0,0,1|2,0,0]=4 3637 B12R1.27 CNC(=O)NC[C@H]1COCCO1 2708a_100010981119_106832991635 [0,1,0,0,0,1|1,0,0]=3 3638 B12R1.27 CNC(=O)NC[C@H]1COCCO1 2708a_100102657272_100010981119 [0,1,0,0,0,1|1,0,0]=3 3639 B12R1.27 CNC(=O)NC[C@H]1COCCO1 273464a_100010981119_100102657272 [0,1,0,0,0,1|1,0,0]=3 3640 B12R1.27 CNC(=O)NC[C@H]1COCCO1 273464a_100102657272_100010981119 [0,1,0,0,0,1|1,0,0]=3 3641 B12R1.27 CNC(=O)NC[C@H]1COCCO1 512a_100010981119_100102657272 [0,1,0,0,0,1|1,0,0]=3 3642 B12R1.27 CNC(=O)NC[C@H]1COCCO1 512a_106832991638_100010981119 [0,1,0,0,0,1|1,0,0]=3 3643 B12R1.27 COC(=O)CCN1CCCOC1 2230a_100000131196_100000204255 [0,1,0,0,0,1|2,0,0]=4 3644 B12R1.27 COC(=O)CCN1CCCOC1 269982a_100000131196_100000204255 [0,1,0,0,0,1|2,0,0]=4 3645 B12R1.27 COC(=O)CCN1CCCOC1 34a_100000131196_100000742370 [0,1,0,0,0,1|2,0,0]=4 3646 B12R1.27 COC(=O)CNC1CCCOC1 2230a_100000719290_100000747449 [0,1,0,0,0,1|2,0,0]=4 3647 B12R1.27 COC(=O)CNC1CCCOC1 34a_100000719290_100000747449 [0,1,0,0,0,1|2,0,0]=4 3648 B12R1.27 COC(=O)COC1CCCCO1 34a_100000033831_100000747449 [0,1,0,0,0,1|2,0,0]=4 3649 B12R1.27 COC(=O)COC1CCCOC1 34a_100000754041_100000747449 [0,1,0,0,0,1|2,0,0]=4 3650 B12R1.27 COC(=O)CSC1CCCOC1 62a_100000747449_100000693364 [0,1,0,0,0,1|2,0,0]=4 3651 B12R1.27 O=C(CF)CCC1CCCCC1 1458a_100000211375_100015361967 [0,1,0,0,0,1|2,0,0]=4 3652 B12R1.27 O=C(CF)CCN1CCCCO1 1458a_200015184090_100015361967 [0,1,0,0,0,1|2,0,0]=4 3653 B12R1.27 O=C(CO)CCC1CCCCC1 1458a_100000210174_100011273959 [0,1,0,0,0,1|2,0,0]=4 3654 B12R1.27 O=C(CO)CCC1CCOCC1 1458a_100000210174_100011934994 [0,1,0,0,0,1|2,0,0]=4 3655 B12R1.27 O=C(CO)CCC1OCCCO1 1458a_100000210174_100000764188 [0,1,0,0,0,1|1,0,0]=3 3656 B12R1.27 O=C(CO)NCC1CCCCC1 240690a_100000210473_100000210174 [0,1,0,0,0,1|2,0,0]=4 3657 B12R1.27 O=C(CO)NCC1CCCCC1 527a_100000210473_100000210174 [0,1,0,0,0,1|2,0,0]=4 3658 B12R1.27 O=C(CO)NCC1CCCCO1 240690a_100000174945_100000210174 [0,1,0,0,0,1|1,0,0]=3 3659 B12R1.27 O=C(CO)NCC1CCCCO1 527a_100000174945_100000210174 [0,1,0,0,0,1|1,0,0]=3 3660 B12R1.27 O=C(CO)NCC1CCCOC1 240690a_100000720124_100000210174 [0,1,0,0,0,1|1,0,0]=3 3661 B12R1.27 O=C(CO)NCC1CCCOC1 527a_100000720124_100000210174 [0,1,0,0,0,1|1,0,0]=3 3662 B12R1.27 O=C(CO)NCC1CCOCC1 240690a_100000746373_100000210174 [0,1,0,0,0,1|2,0,0]=4 3663 B12R1.27 O=C(CO)NCC1CCOCC1 527a_100000746373_100000210174 [0,1,0,0,0,1|2,0,0]=4 3664 B12R1.27 O=C(CO)NCC1CCSCC1 240690a_100015188806_100000210174 [0,1,0,0,0,1|2,0,0]=4 3665 B12R1.27 O=C(CO)NCC1CCSCC1 527a_100015188806_100000210174 [0,1,0,0,0,1|2,0,0]=4 3666 B12R1.27 O=C(CO)NC[C@H]1COCCO1 240690a_100010981119_100000210174 [0,1,0,0,0,1|1,0,0]=3 3667 B12R1.27 O=C(CO)NC[C@H]1COCCO1 527a_100010981119_100000210174 [0,1,0,0,0,1|1,0,0]=3 3668 B12R1.43 C=C(C)C(=O)CC1CCCCO1 1458a_100000185857_100000211543 [0,1,0,0,0,1|2,0,0]=4 3669 B12R1.43 C=C(C)C(=O)CC1CCCOC1 1458a_100000185857_100000741521 [0,1,0,0,0,1|2,0,0]=4 3670 B12R1.43 CC(=O)C(=O)CN1CCCOC1 269982a_100000131196_100011261029 [0,1,0,0,0,1|2,0,0]=4 3671 B12R1.43 CC(=O)C(=O)CN1CCCOC1 34a_100000131196_100011261029 [0,1,0,0,0,1|2,0,0]=4 3672 B12R1.43 CC(=O)C(C)CC1CCCCC1 1458a_200011416370_200000210301 [0,1,0,0,0,1|2,0,0]=4 3673 B12R1.43 CC(=O)C(C)NC1CCCOC1 2230a_100000719290_100009814033 [0,1,0,0,0,1|2,0,0]=4 3674 B12R1.43 CC(=O)C(C)OC1CCCOC1 34a_100000212229_100000693364 [0,1,0,0,0,1|2,0,0]=4 3675 B12R1.43 CC(=O)C(C)SC1CCCOC1 62a_100009814033_100000693364 [0,1,0,0,0,1|2,0,0]=4 3676 B12R1.43 CC(=O)N(C)CC1CCCCC1 11a_100000736448_100015343762 [0,1,0,0,0,1|2,0,0]=4 3677 B12R1.43 CC(=O)N(C)CC1CCCCC1 1626a_100000736448_100015343762 [0,1,0,0,0,1|2,0,0]=4 3678 B12R1.43 CC(=O)N(C)CC1CCCCC1 240690a_100000736448_100015343762 [0,1,0,0,0,1|2,0,0]=4 3679 B12R1.43 CC(=O)N(C)CC1CCCCC1 527a_100000736448_100103153847 [0,1,0,0,0,1|2,0,0]=4 3680 B12R1.43 CC(=O)N(C)CC1CCCCO1 11a_100000225654_100015343762 [0,1,0,0,0,1|1,0,0]=3 3681 B12R1.43 CC(=O)N(C)CC1CCCCO1 1626a_100000225654_100015343762 [0,1,0,0,0,1|1,0,0]=3 3682 B12R1.43 CC(=O)N(C)CC1CCCCO1 240690a_100000225654_100015343762 [0,1,0,0,0,1|1,0,0]=3 3683 B12R1.43 CC(=O)N(C)CC1CCCCO1 527a_100000225654_100103153847 [0,1,0,0,0,1|1,0,0]=3 3684 B12R1.43 CC(=O)N(C)CC1CCOCC1 11a_100025706683_100015343762 [0,1,0,0,0,1|2,0,0]=4 3685 B12R1.43 CC(=O)N(C)CC1CCOCC1 1626a_100025706683_100015343762 [0,1,0,0,0,1|2,0,0]=4 3686 B12R1.43 CC(=O)N(C)CC1CCOCC1 240690a_100025706683_100015343762 [0,1,0,0,0,1|2,0,0]=4 3687 B12R1.43 CC(=O)N(C)CC1CCOCC1 527a_100025706683_100103153847 [0,1,0,0,0,1|2,0,0]=4 3688 B12R1.43 CC(=O)N(C)CC1CCSCC1 11a_100011935259_100015343762 [0,1,0,0,0,1|2,0,0]=4 3689 B12R1.43 CC(=O)N(C)CC1CCSCC1 240690a_100011935259_100015343762 [0,1,0,0,0,1|2,0,0]=4 3690 B12R1.43 CC(=O)N(C)CC1CCSCC1 527a_100011935259_100103153847 [0,1,0,0,0,1|2,0,0]=4 3691 B12R1.43 CC(=O)N(C)CC1COCCO1 11a_100011398995_100015343762 [0,1,0,0,0,1|1,0,0]=3 3692 B12R1.43 CC(=O)N(C)CC1COCCO1 1626a_100011398995_100015343762 [0,1,0,0,0,1|1,0,0]=3 3693 B12R1.43 CC(=O)N(C)CC1COCCO1 240690a_100011398995_100015343762 [0,1,0,0,0,1|1,0,0]=3 3694 B12R1.43 CC(=O)N(C)CC1COCCO1 527a_100011398995_100103153847 [0,1,0,0,0,1|1,0,0]=3 3695 B12R1.43 CC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200000210301 [0,1,0,0,0,1|2,0,0]=4 3696 B12R1.43 CC(CC1CCCCC1)C(=O)[13CH3] 1458a_200011416370_200025704644 [0,1,0,0,0,1|2,0,0]=4 3697 B12R1.43 [13CH3]C(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200025704644 [0,1,0,0,0,1|2,0,0]=4 3698 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 11a_100025707633_100015343762 [0,1,0,0,0,1|2,0,0]=4 3699 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 1626a_100025707633_100015343762 [0,1,0,0,0,1|2,0,0]=4 3700 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 240690a_100025707633_100015343762 [0,1,0,0,0,1|2,0,0]=4 3701 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 527a_100025707633_100103153847 [0,1,0,0,0,1|2,0,0]=4 3702 B12R1.107 CC(=O)OC(C)N1CCCOC1 269982a_100000131196_100009818208 [0,1,0,0,0,1|1,0,0]=3 3703 B12R1.107 CC(=O)OC(C)N1CCOCC1 269982a_100015191051_100009818208 [0,1,0,0,0,1|2,0,0]=4 3704 B12R1.107 CC(=O)OC(C)N1CCSCC1 269982a_100000737611_100009818208 [0,1,0,0,0,1|2,0,0]=4 3705 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [0,1,0,0,0,1|2,0,0]=4 3706 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [0,1,0,0,0,1|2,0,0]=4 3707 B12R1.125 CC(=O)NCC1CCCCC1O 240690a_100011216029_100015343762 [0,1,0,0,0,1|2,0,0]=4 3708 B12R1.125 CC(=O)NCC1CCCCC1O 527a_100011216029_100103153847 [0,1,0,0,0,1|2,0,0]=4 3709 B12R1.125 CC(=O)NCC1CCCCN1C 240690a_100011228421_100015343762 [0,1,0,0,0,1|2,0,0]=4 3710 B12R1.125 CC(=O)NCC1CCCCN1C 527a_100011228421_100103153847 [0,1,0,0,0,1|2,0,0]=4 3711 B12R1.125 CC(=O)OCN1CCCCC1C 269982a_100000211376_100000076356 [0,1,0,0,0,1|2,0,0]=4 3712 B12R1.125 CC(=O)OCN1CCCCC1C 34a_100000211376_100009813279 [0,1,0,0,0,1|2,0,0]=4 3713 B12R1.125 CC(=O)OCN1CCOC[C@@H]1C 269982a_100009815349_100000076356 [0,1,0,0,0,1|2,0,0]=4 3714 B12R1.125 CC(=O)OCN1CCOC[C@@H]1C 34a_100009815349_100009813279 [0,1,0,0,0,1|2,0,0]=4 3715 B12R1.125 CC(C)OCC1COCCC1N 34a_214813039666_100000210206 [0,1,0,0,0,1|1,0,1]=4 3716 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [0,1,0,0,0,1|2,0,0]=4 3717 B12R1.226 CC(=O)CCC1CCCN(C1)C 1458a_100015186358_200000210301 [0,1,0,0,0,1|2,0,0]=4 3718 B12R1.226 CC(=O)NCC1CCCC(C1)O 1626a_100011254705_100015343762 [0,1,0,0,0,1|2,0,0]=4 3719 B12R1.226 CC(=O)NCC1CCCC(C1)O 240690a_100011254705_100015343762 [0,1,0,0,0,1|2,0,0]=4 3720 B12R1.226 CC(=O)NCC1CCCC(C1)O 527a_100011254705_100103153847 [0,1,0,0,0,1|2,0,0]=4 3721 B12R1.226 CC(=O)NCC1CCCN(C1)C 2230a_100011207013_200000210301 [0,1,0,0,0,1|2,0,0]=4 3722 B12R1.226 CC(=O)NCC1CCCN(C1)C 269982a_100011207013_200000210301 [0,1,0,0,0,1|2,0,0]=4 3723 B12R1.226 CC(=O)NCC1CCCN(C1)C 34a_100011207013_200000210301 [0,1,0,0,0,1|2,0,0]=4 3724 B12R1.226 CC(=O)NCC1CCCN(C1)[13CH3] 2230a_100011207013_200025704644 [0,1,0,0,0,1|2,0,0]=4 3725 B12R1.226 CC(=O)NCC1CCCN(C1)[13CH3] 269982a_100011207013_200025704644 [0,1,0,0,0,1|2,0,0]=4 3726 B12R1.226 CC(=O)NCC1CCCN(C1)[13CH3] 34a_100011207013_200025704644 [0,1,0,0,0,1|2,0,0]=4 3727 B12R1.226 CC(=O)NCC1CN(CCO1)C 11a_100000747556_100015343762 [0,1,0,0,0,1|1,0,0]=3 3728 B12R1.226 CC(=O)NCC1CN(CCO1)C 240690a_100000747556_100015343762 [0,1,0,0,0,1|1,0,0]=3 3729 B12R1.226 CC(=O)NCC1CN(CCO1)C 527a_100000747556_100103153847 [0,1,0,0,0,1|1,0,0]=3 3730 B12R1.226 CC(=O)NC[C@@H]1CCCN(C1)C 240690a_100016993746_100015343762 [0,1,0,0,0,1|2,0,0]=4 3731 B12R1.226 CC(=O)NC[C@@H]1CCCN(C1)C 527a_100016993746_100103153847 [0,1,0,0,0,1|2,0,0]=4 3732 B12R1.226 CC(=O)OCC1CCCN(C1)C 2230a_100025751563_200000210301 [0,1,0,0,0,1|1,0,0]=3 3733 B12R1.226 CC(=O)OCC1CCCN(C1)C 269982a_100025751563_200000210301 [0,1,0,0,0,1|1,0,0]=3 3734 B12R1.226 CC(=O)OCC1CCCN(C1)[13CH3] 2230a_100025751563_200025704644 [0,1,0,0,0,1|1,0,0]=3 3735 B12R1.226 CC(=O)OCC1CCCN(C1)[13CH3] 269982a_100025751563_200025704644 [0,1,0,0,0,1|1,0,0]=3 3736 B12R1.226 CC(=O)OCN1CCCC(C1)F 269982a_100000697950_100000076356 [0,1,0,0,0,1|2,0,0]=4 3737 B12R1.226 CC(=O)OCN1CCCC(C1)F 34a_100000697950_100009813279 [0,1,0,0,0,1|2,0,0]=4 3738 B12R1.226 CC(=O)OCN1CCCC(C1)O 269982a_100000211013_100000076356 [0,1,0,0,0,1|2,0,0]=4 3739 B12R1.226 CC(=O)OCN1CCC[C@@H](C1)C 269982a_100000717927_100000076356 [0,1,0,0,0,1|2,0,0]=4 3740 B12R1.226 CC(=O)OCN1CCC[C@@H](C1)C 34a_100000717927_100009813279 [0,1,0,0,0,1|2,0,0]=4 3741 B12R1.226 CC(=O)OCN1CCOC(C1)C 269982a_100000729577_100000076356 [0,1,0,0,0,1|2,0,0]=4 3742 B12R1.226 CC(=O)OCN1CCOC(C1)C 34a_100000729577_100009813279 [0,1,0,0,0,1|2,0,0]=4 3743 B12R1.226 CC(=O)OCN1CCOC(C1)O 269982a_100000688207_100000076356 [0,1,0,0,0,1|2,0,0]=4 3744 B12R1.226 CN1CCCC(C1)CCC(=O)[13CH3] 1458a_100015186358_200025704644 [0,1,0,0,0,1|2,0,0]=4 3745 B12R1.891 CC(C)(C)OCC1CCCCO1 34a_100000211370_100000210625 [0,1,0,0,0,1|1,0,1]=4 3746 B12R1.891 CC(C)(C)OCC1CCCCO1 34a_100015890283_100000211543 [0,1,0,0,0,1|1,0,1]=4 3747 B12R1.891 CC(C)(C)OCC1CCCCO1 7a_100015890283_100000211543 [0,1,0,0,0,1|1,0,1]=4 3748 B12R1.891 CC(C)(C)OCC1CCCOC1 34a_100000741520_100000210625 [0,1,0,0,0,1|1,0,1]=4 3749 B12R1.891 CC(C)(C)OCC1CCCOC1 34a_100015890283_100000741521 [0,1,0,0,0,1|1,0,1]=4 3750 B12R1.891 CC(C)(C)OCC1CCCOC1 7a_100015890283_100000741521 [0,1,0,0,0,1|1,0,1]=4 3751 B12R1.891 CC(C)(C)OC[C@@H]1CNCCO1 34a_100015189573_100000210625 [0,1,0,0,0,1|1,0,1]=4 3752 B12R1.891 CC(C)(C)OC[C@H]1COCCO1 34a_100009875890_100000210625 [0,1,0,0,0,1|1,0,1]=4 3753 B12R1.891 CS(=O)(=O)NCC1CCCCO1 40a_100000174945_100000738038 [0,1,0,0,0,1|2,0,0]=4 3754 B12R1.891 CS(=O)(=O)NCC1CCCOC1 40a_100000720124_100000738038 [0,1,0,0,0,1|2,0,0]=4 3755 B12R1.891 CS(=O)(=O)NC[C@H]1COCCO1 40a_100010981119_100000738038 [0,1,0,0,0,1|2,0,0]=4 3756 B12R1.3110 CC(=O)NCC1(CCCCC1)C 11a_100000706052_100015343762 [0,1,0,0,0,1|2,0,0]=4 3757 B12R1.3110 CC(=O)NCC1(CCCCC1)C 1626a_100000706052_100015343762 [0,1,0,0,0,1|2,0,0]=4 3758 B12R1.3110 CC(=O)NCC1(CCCCC1)C 240690a_100000706052_100015343762 [0,1,0,0,0,1|2,0,0]=4 3759 B12R1.3110 CC(=O)NCC1(CCCCC1)C 527a_100000706052_100103153847 [0,1,0,0,0,1|2,0,0]=4 3760 B12R1.3110 CC(=O)NCC1(CCCCC1)O 11a_100000748649_100015343762 [0,1,0,0,0,1|2,0,0]=4 3761 B12R1.3110 CC(=O)NCC1(CCCCC1)O 1626a_100000748649_100015343762 [0,1,0,0,0,1|2,0,0]=4 3762 B12R1.3110 CC(=O)NCC1(CCCCC1)O 240690a_100000748649_100015343762 [0,1,0,0,0,1|2,0,0]=4 3763 B12R1.3110 CC(=O)NCC1(CCCCC1)O 527a_100000748649_100103153847 [0,1,0,0,0,1|2,0,0]=4 3764 B12R1.3110 CC(=O)NCC1(CCOCC1)C 11a_100000695556_100015343762 [0,1,0,0,0,1|2,0,0]=4 3765 B12R1.3110 CC(=O)NCC1(CCOCC1)C 1626a_100000695556_100015343762 [0,1,0,0,0,1|2,0,0]=4 3766 B12R1.3110 CC(=O)NCC1(CCOCC1)C 240690a_100000695556_100015343762 [0,1,0,0,0,1|2,0,0]=4 3767 B12R1.3110 CC(=O)NCC1(CCOCC1)C 527a_100000695556_100103153847 [0,1,0,0,0,1|2,0,0]=4 3768 B12R1.3110 CC(=O)NCC1(CCOCC1)F 11a_100016991512_100015343762 [0,1,0,0,0,1|2,0,0]=4 3769 B12R1.3110 CC(=O)NCC1(CCOCC1)F 1626a_100016991512_100015343762 [0,1,0,0,0,1|2,0,0]=4 3770 B12R1.3110 CC(=O)NCC1(CCOCC1)F 240690a_100016991512_100015343762 [0,1,0,0,0,1|2,0,0]=4 3771 B12R1.3110 CC(=O)NCC1(CCOCC1)F 527a_100016991512_100103153847 [0,1,0,0,0,1|2,0,0]=4 3772 B12R1.3110 CC(=O)NCC1(CCOCC1)O 11a_100000704115_100015343762 [0,1,0,0,0,1|2,0,0]=4 3773 B12R1.3110 CC(=O)NCC1(CCOCC1)O 240690a_100000704115_100015343762 [0,1,0,0,0,1|2,0,0]=4 3774 B12R1.3110 CC(=O)NCC1(CCOCC1)O 527a_100000704115_100103153847 [0,1,0,0,0,1|2,0,0]=4 3775 B12R1.3110 CC(=O)NCC1(CCSCC1)O 11a_100000758141_100015343762 [0,1,0,0,0,1|2,0,0]=4 3776 B12R1.3110 CC(=O)NCC1(CCSCC1)O 240690a_100000758141_100015343762 [0,1,0,0,0,1|2,0,0]=4 3777 B12R1.3110 CC(=O)NCC1(CCSCC1)O 527a_100000758141_100103153847 [0,1,0,0,0,1|2,0,0]=4 3778 B12R1.54 C=C(C)CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000730704 [0,1,0,0,0,1|2,0,0]=4 3779 B12R1.54 C=C(C)CNC(C)C1CCCO1 2230a_100025754208_100000748629 [0,1,0,0,0,1|2,0,0]=4 3780 B12R1.54 C=C(C)CNC(C)C1CCCO1 34a_100025754208_100000748629 [0,1,0,0,0,1|2,0,0]=4 3781 B12R1.54 C=C(C)COC(C)C1CCCC1 34a_100011216366_100000748629 [0,1,0,0,0,1|2,0,0]=4 3782 B12R1.54 C=C(C)COC(C)C1CCCC1 7a_100011216366_100000748629 [0,1,0,0,0,1|2,0,0]=4 3783 B12R1.54 CC(=CCC(=O)[C@@H]1CCCO1)C 1458a_100000686382_100000761012 [0,1,0,0,0,1|2,0,0]=4 3784 B12R1.54 CC(=O)CCN(C)C1CCCC1 269982a_100000207505_100000053229 [0,1,0,0,0,1|2,0,0]=4 3785 B12R1.54 CC(=O)NCC(=O)C1CCCC1 1458a_100000194580_100000179811 [0,1,0,0,0,1|2,0,0]=4 3786 B12R1.54 CC(=O)NNC(=O)C1CCCO1 22a_100000189947_100000070787 [0,1,0,0,0,1|1,0,1]=4 3787 B12R1.54 CC(=O)NNC(=O)[C@@H]1CCCO1 22a_100000189765_100000686382 [0,1,0,0,0,1|1,0,1]=4 3788 B12R1.54 CC(=O)OCC(=O)C1CCCC1 1458a_100000183556_100000179811 [0,1,0,0,0,1|1,0,0]=3 3789 B12R1.54 CC(=O)OCC(=O)C1CCOC1 1458a_100000183556_100000690089 [0,1,0,0,0,1|2,0,0]=4 3790 B12R1.54 CC(=O)OCC(=O)N1CCCC1 240690a_100000188435_100000183556 [0,1,0,0,0,1|2,0,0]=4 3791 B12R1.54 CC(=O)OCC(=O)N1CCCC1 527a_100000188435_100000183556 [0,1,0,0,0,1|2,0,0]=4 3792 B12R1.54 CC(=O)OCC(C)N1CCCC1 270004a_100000188435_100000000629 [0,1,0,0,0,1|2,0,0]=4 3793 B12R1.54 CC(=O)OCN(C)C1CCCC1 269982a_100000207505_100000076356 [0,1,0,0,0,1|1,0,0]=3 3794 B12R1.54 CC(=O)OCN(C)C1CCCC1 34a_100000207505_100009813279 [0,1,0,0,0,1|1,0,0]=3 3795 B12R1.54 CC(=O)OCN(C)C1CCOC1 269982a_100016988252_100000076356 [0,1,0,0,0,1|2,0,0]=4 3796 B12R1.54 CC(=O)OCN(C)C1CCOC1 34a_100016988252_100009813279 [0,1,0,0,0,1|2,0,0]=4 3797 B12R1.54 CC(=O)SCC(=O)C1CCCC1 1458a_100000049016_100000179811 [0,1,0,0,0,1|1,1,0]=4 3798 B12R1.54 CC(NCC(=O)N)C1CCCO1 2230a_100025754208_100000747473 [0,1,0,0,0,1|2,0,0]=4 3799 B12R1.54 CC(NCC(=O)N)C1CCCO1 34a_100025754208_100000187820 [0,1,0,0,0,1|2,0,0]=4 3800 B12R1.54 CC(NCC(=O)[O-])C1CCCO1 34a_100025754208_100020667443 [0,1,0,0,0,1|2,0,0]=4 3801 B12R1.54 CC(OCC(=O)N)C1CCCC1 34a_100011216366_100000187820 [0,1,0,0,0,1|2,0,0]=4 3802 B12R1.54 CC(OCC(=O)N)C1CCCC1 7a_100011216366_100000187820 [0,1,0,0,0,1|2,0,0]=4 3803 B12R1.54 CC(OCC(=O)[O-])C1CCCC1 34a_100011216366_100020667443 [0,1,0,0,0,1|2,0,0]=4 3804 B12R1.105 C=C(C)COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000748629 [0,1,0,0,0,1|2,0,0]=4 3805 B12R1.105 CC(=O)COCC1CCN(C1)C 34a_100000211253_200000690779 [0,1,0,0,0,1|2,0,0]=4 3806 B12R1.105 CC(=O)COCC1CNC(=O)O1 34a_100000211253_100000181169 [0,1,0,0,0,1|1,0,1]=4 3807 B12R1.105 CC(=O)COCC1COC(=O)O1 34a_100000211253_100000073702 [0,1,0,0,0,1|1,0,1]=4 3808 B12R1.105 CC(=O)OCCN1CCC(C1)O 269982a_100011215560_100009814007 [0,1,0,0,0,1|2,0,0]=4 3809 B12R1.105 CC(=O)OCCN1CC[C@@H](C1)F 269982a_100015203821_100009814007 [0,1,0,0,0,1|2,0,0]=4 3810 B12R1.105 CC(=O)OCCN1CC[C@@H](C1)F 34a_100015203821_100009814007 [0,1,0,0,0,1|2,0,0]=4 3811 B12R1.105 CC(=O)OCCN1CC[C@H](C1)C 269982a_100016987628_100009814007 [0,1,0,0,0,1|2,0,0]=4 3812 B12R1.105 CC(=O)OCCN1CC[C@H](C1)C 34a_100016987628_100009814007 [0,1,0,0,0,1|2,0,0]=4 3813 B12R1.105 CC(=O)OCOC1CCC(=O)C1 34a_100012614533_100009813279 [0,1,0,0,0,1|1,0,1]=4 3814 B12R1.105 CC(=O)OCOC1CCC(C1)C 34a_100000698185_100009813279 [0,1,0,0,0,1|1,0,0]=3 3815 B12R1.105 CC(=O)OCSC1CCN(C1)C 62a_100000076356_200012183744 [0,1,0,0,0,1|2,0,0]=4 3816 B12R1.105 CC(=O)OCSC1COC(=O)O1 62a_100000076356_100000032252 [0,1,0,0,0,1|1,0,1]=4 3817 B12R1.105 NC(=O)COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000187820 [0,1,0,0,0,1|2,0,0]=4 3818 B12R1.105 O=C([O-])COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100020667443 [0,1,0,0,0,1|2,0,0]=4 3819 B12R1.130 C=C(C)COCC1CCCN1C 34a_100000743107_100000748629 [0,1,0,0,0,1|2,0,0]=4 3820 B12R1.130 CC(=O)CCOC1CCCC1=O 34a_100000759926_100000709159 [0,1,0,0,0,1|2,0,0]=4 3821 B12R1.130 CC(=O)CCOC1CCCC1=O 7a_100000759926_100000211823 [0,1,0,0,0,1|2,0,0]=4 3822 B12R1.130 CC(=O)CCOC1CCCC1C 7a_100011216460_100000053229 [0,1,0,0,0,1|2,0,0]=4 3823 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000053229_100000211823 [0,1,0,0,0,1|2,0,0]=4 3824 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000211823_100000053229 [0,1,0,0,0,1|2,0,0]=4 3825 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000053229_200016002552 [0,1,0,0,0,1|2,0,0]=4 3826 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000053229 [0,1,0,0,0,1|2,0,0]=4 3827 B12R1.130 CC(=O)NCCC1CCCN1C 240690a_100011219722_100015343762 [0,1,0,0,0,1|2,0,0]=4 3828 B12R1.130 CC(=O)NCCC1CCCN1C 527a_100011219722_100103153847 [0,1,0,0,0,1|2,0,0]=4 3829 B12R1.130 CC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_100009814007 [0,1,0,0,0,1|2,0,0]=4 3830 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_100009814007 [0,1,0,0,0,1|2,0,0]=4 3831 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 34a_100015189458_100009814007 [0,1,0,0,0,1|2,0,0]=4 3832 B12R1.130 CC(=O)OCNC1CCNC1=O 34a_100016995588_100009813279 [0,1,0,0,0,1|2,0,0]=4 3833 B12R1.130 CC(=O)OCOC1CCCC1=O 34a_200000719330_100009813279 [0,1,0,0,0,1|1,0,0]=3 3834 B12R1.130 CC(=O)OCOC1CCCC1C 34a_100011216460_100009813279 [0,1,0,0,0,1|1,0,0]=3 3835 B12R1.130 CC(=O)OCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009813279 [0,1,0,0,0,1|1,0,0]=3 3836 B12R1.130 CC(=O)OCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009813279 [0,1,0,0,0,1|1,0,0]=3 3837 B12R1.130 CC(=O)OCO[C@H]1CCNC1=O 34a_100000688343_100009813279 [0,1,0,0,0,1|2,0,0]=4 3838 B12R1.130 CC(=O)OCO[C@H]1CNC[C@H]1C 34a_200015306588_100009813279 [0,1,0,0,0,1|2,0,0]=4 3839 B12R1.130 CC(=O)OCO[C@H]1COC[C@@H]1N 34a_100015191717_100009813279 [0,1,0,0,0,1|2,0,0]=4 3840 B12R1.130 CC(=O)OCSC1CCCC1=O 62a_100000076356_100000211823 [0,1,0,0,0,1|1,0,0]=3 3841 B12R1.130 CC(=O)OCSC1CCCC1=O 62a_100000211823_100000076356 [0,1,0,0,0,1|1,0,0]=3 3842 B12R1.130 CC(=O)OCSC1CCOC1=O 62a_100000076356_100000211211 [0,1,0,0,0,1|2,0,0]=4 3843 B12R1.130 CC(=O)OCSC1CCOC1=O 62a_100000211211_100000076356 [0,1,0,0,0,1|2,0,0]=4 3844 B12R1.130 CC(=O)OCSC1COCC1O 62a_100000076356_200000725654 [0,1,0,0,0,1|2,0,0]=4 3845 B12R1.130 CC(=O)OCSC1COCC1O 62a_200000725654_100000076356 [0,1,0,0,0,1|2,0,0]=4 3846 B12R1.130 CC(=O)OCS[C@@H]1CCC[C@H]1O 62a_100000076356_200016002552 [0,1,0,0,0,1|1,0,0]=3 3847 B12R1.130 CC(=O)OCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000076356 [0,1,0,0,0,1|1,0,0]=3 3848 B12R1.130 CN1CCCC1COCC(=O)N 34a_100000743107_100000187820 [0,1,0,0,0,1|2,0,0]=4 3849 B12R1.130 CN1CCCC1COCC(=O)[O-] 34a_100000743107_100020667443 [0,1,0,0,0,1|2,0,0]=4 3850 B12R1.260 C=C(C)CN(C)CC1CCCO1 2230a_100000225649_100000203698 [0,1,0,0,0,1|2,0,0]=4 3851 B12R1.260 C=C(C)CN(C)CC1CCCO1 2230a_100102946541_100000748629 [0,1,0,0,0,1|2,0,0]=4 3852 B12R1.260 C=C(C)CN(C)CC1CCCO1 269982a_100000225649_100000183445 [0,1,0,0,0,1|2,0,0]=4 3853 B12R1.260 C=C(C)CN(C)CC1CCCO1 269982a_100102946541_100000748629 [0,1,0,0,0,1|2,0,0]=4 3854 B12R1.260 C=C(C)CN(C)CC1CCCO1 34a_100102946541_100000748629 [0,1,0,0,0,1|2,0,0]=4 3855 B12R1.260 CC(=CC(=O)CC1CCCO1)C 1458a_100000211388_100000203698 [0,1,0,0,0,1|2,0,0]=4 3856 B12R1.260 CC(=CC(=O)CC1CCCO1)Cl 1458a_200042562850_100000203698 [0,1,0,0,0,1|2,0,0]=4 3857 B12R1.260 CC(=CC(=O)CC1CCCO1)I 1458a_100025716642_100000203698 [0,1,0,0,0,1|2,0,0]=4 3858 B12R1.260 CC(=O)OC(C)SC1CCCC1 62a_100009818208_100000179811 [0,1,0,0,0,1|1,0,0]=3 3859 B12R1.260 CC(=O)OC(C)SC1CCCC1 62a_100011217020_100009818208 [0,1,0,0,0,1|1,0,0]=3 3860 B12R1.260 CC(=O)OC(C)SC1CCOC1 62a_100009818208_100000690089 [0,1,0,0,0,1|2,0,0]=4 3861 B12R1.260 CN(CC(=O)N)CC1CCCO1 2230a_100000739694_100000203698 [0,1,0,0,0,1|2,0,0]=4 3862 B12R1.260 CN(CC(=O)N)CC1CCCO1 2230a_100102946541_100000747473 [0,1,0,0,0,1|2,0,0]=4 3863 B12R1.260 CN(CC(=O)N)CC1CCCO1 269982a_100102946541_100000187820 [0,1,0,0,0,1|2,0,0]=4 3864 B12R1.260 CN(CC(=O)N)CC1CCCO1 34a_100102946541_100000187820 [0,1,0,0,0,1|2,0,0]=4 3865 B12R1.260 CN(CC(=O)O)CC1CCCO1 269956a_100000746989_100000183445 [0,1,0,0,0,1|2,0,0]=4 3866 B12R1.260 CN(CC(=O)[O-])CC1CCCO1 269982a_100102946541_100020667443 [0,1,0,0,0,1|2,0,0]=4 3867 B12R1.260 CN(CC(=O)[O-])CC1CCCO1 34a_100102946541_100020667443 [0,1,0,0,0,1|2,0,0]=4 3868 B12R1.260 NC(=O)CC(=O)CC1CCCO1 1458a_100134613110_100000203698 [0,1,0,0,0,1|2,0,0]=4 3869 B12R1.264 C=C(C)C(=O)NC[C@@H]1CCCO1 11a_100020590478_100000185857 [0,1,0,0,0,1|2,0,0]=4 3870 B12R1.264 C=C(C)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000185857 [0,1,0,0,0,1|2,0,0]=4 3871 B12R1.264 C=C(C)C(C)NC[C@@H]1CCCO1 269862a_100020590478_100011216138 [0,1,0,0,0,1|2,0,0]=4 3872 B12R1.264 CC(=O)C(=O)CNC1CCCC1 34a_100000211070_100011261029 [0,1,0,0,0,1|2,0,0]=4 3873 B12R1.264 CC(=O)C(=O)COC1CCCC1 34a_100000210269_100011261029 [0,1,0,0,0,1|2,0,0]=4 3874 B12R1.264 CC(=O)C(=O)COC1CCCO1 34a_100000085407_100011261029 [0,1,0,0,0,1|1,0,0]=3 3875 B12R1.264 CC(=O)C(=O)CSC1CCCC1 62a_100011217020_100011261029 [0,1,0,0,0,1|2,0,0]=4 3876 B12R1.264 CC(=O)C(=O)CSC1CCCC1 62a_100011261029_100000179811 [0,1,0,0,0,1|2,0,0]=4 3877 B12R1.264 CC(=O)C(C)COC1CCCC1 34a_100000032740_100000179811 [0,1,0,0,0,1|2,0,0]=4 3878 B12R1.264 CC(=O)C(C)COC1CCCC1 7a_100000032740_100000179811 [0,1,0,0,0,1|2,0,0]=4 3879 B12R1.264 CC(=O)C(C)NCC1CCCC1 2230a_100000737975_100009814033 [0,1,0,0,0,1|2,0,0]=4 3880 B12R1.264 CC(=O)C(C)NCC1OCCO1 2230a_100000036311_100009814033 [0,1,0,0,0,1|2,0,0]=4 3881 B12R1.264 CC(=O)C(C)NC[C@@H]1CCCO1 2230a_100020590478_100009814033 [0,1,0,0,0,1|1,0,0]=3 3882 B12R1.264 CC(=O)C(C)OCC1CCCC1 34a_100000212229_100000740388 [0,1,0,0,0,1|1,0,0]=3 3883 B12R1.264 CC(=O)C(C)OCC1CCCC1 7a_100000742336_100000179758 [0,1,0,0,0,1|1,0,0]=3 3884 B12R1.264 CC(=O)C(C)OCC1CCCO1 1458a_100000746140_200000210301 [0,1,0,0,0,1|0,0,0]=2 3885 B12R1.264 CC(=O)C(C)OCC1CCCO1 7a_100000210270_100000179758 [0,1,0,0,0,1|0,0,0]=2 3886 B12R1.264 CC(=O)C(C)OCC1CCOC1 34a_100000212229_100011261433 [0,1,0,0,0,1|2,0,0]=4 3887 B12R1.264 CC(=O)C(C)OCC1OCCO1 34a_100000212229_100000755774 [0,1,0,0,0,1|1,0,0]=3 3888 B12R1.264 CC(=O)C(C)SCC1CCCC1 62a_100000740388_100009814033 [0,1,0,0,0,1|1,1,0]=4 3889 B12R1.264 CC(=O)C(C)SCC1CCCC1 62a_100009814033_100000740388 [0,1,0,0,0,1|1,1,0]=4 3890 B12R1.264 CC(=O)C(C)SCC1CCCO1 1458a_100000217297_200000210301 [0,1,0,0,0,1|0,1,0]=3 3891 B12R1.264 CC(=O)C(C)SCC1CCCO1 62a_100000203698_100009814033 [0,1,0,0,0,1|0,1,0]=3 3892 B12R1.264 CC(=O)C(C)SCC1CCCO1 62a_100009814033_100000203698 [0,1,0,0,0,1|0,1,0]=3 3893 B12R1.264 CC(=O)C(C)SCC1OCCO1 62a_100000755774_100009814033 [0,1,0,0,0,1|1,1,0]=4 3894 B12R1.264 CC(=O)C(C)SCC1OCCO1 62a_100009814033_100000755774 [0,1,0,0,0,1|1,1,0]=4 3895 B12R1.264 CC(C)C(C)OCC1CCCO1 7a_100000748068_100000203698 [0,1,0,0,0,1|1,0,1]=4 3896 B12R1.264 CC(NC[C@@H]1CCCO1)C(=O)N 2230a_100020590478_100000702099 [0,1,0,0,0,1|2,0,0]=4 3897 B12R1.264 CC(NC[C@@H]1CCCO1)C(=O)N 34a_100020590478_100000702099 [0,1,0,0,0,1|2,0,0]=4 3898 B12R1.264 CC(OCC1CCCC1)C(=O)N 34a_100000742336_100000702099 [0,1,0,0,0,1|2,0,0]=4 3899 B12R1.264 CC(OCC1CCCC1)C(=O)N 7a_100000742336_100000702099 [0,1,0,0,0,1|2,0,0]=4 3900 B12R1.264 CC(OCC1CCCO1)C(=O)N 34a_100000210270_100000702099 [0,1,0,0,0,1|1,0,0]=3 3901 B12R1.264 CC(OCC1CCCO1)C(=O)N 7a_100000210270_100000702099 [0,1,0,0,0,1|1,0,0]=3 3902 B12R1.264 CC(OCC1CCCO1)C(=O)[13CH3] 1458a_100000746140_200025704644 [0,1,0,0,0,1|0,0,0]=2 3903 B12R1.264 CC(OCC1COCO1)C(=O)N 34a_100011216627_100000702099 [0,1,0,0,0,1|2,0,0]=4 3904 B12R1.264 CC(OCC1OCCO1)C(=O)N 34a_100000087154_100000702099 [0,1,0,0,0,1|2,0,0]=4 3905 B12R1.264 CC(OC[C@H]1CCCN1)C(=O)N 34a_100000745186_100000702099 [0,1,0,0,0,1|2,0,0]=4 3906 B12R1.264 CC(SCC1CCCO1)C(=O)N 62a_100000203698_100000702099 [0,1,0,0,0,1|1,1,0]=4 3907 B12R1.264 CC(SCC1CCCO1)C(=O)N 62a_100000702099_100000203698 [0,1,0,0,0,1|1,1,0]=4 3908 B12R1.264 CC(SCC1CCCO1)C(=O)[13CH3] 1458a_100000217297_200025704644 [0,1,0,0,0,1|0,1,0]=3 3909 B12R1.264 C[C@@H](NCC1CCCO1)C(=O)N 2230a_100000119354_100000203698 [0,1,0,0,0,1|2,0,0]=4 3910 B12R1.264 C[C@@H](OCC1CCCC1)C(=O)N 34a_100000731257_100000740388 [0,1,0,0,0,1|2,0,0]=4 3911 B12R1.264 C[C@@H](OCC1CCCC1)C(=O)N 7a_100000731257_100000740388 [0,1,0,0,0,1|2,0,0]=4 3912 B12R1.264 C[C@@H](OCC1CCCO1)C(=O)N 7a_100000731257_100000203698 [0,1,0,0,0,1|1,0,0]=3 3913 B12R1.264 C[C@@H](OCC1OCCO1)C(=O)N 34a_100000731257_100000755774 [0,1,0,0,0,1|2,0,0]=4 3914 B12R1.264 C[C@@H](OCC1OCCO1)C(=O)N 7a_100000731257_100000755774 [0,1,0,0,0,1|2,0,0]=4 3915 B12R1.264 C[C@H](NCC1CCCO1)C(=O)O 269956a_100000743915_100000183445 [0,1,0,0,0,1|2,0,0]=4 3916 B12R1.264 C[C@H](OCC1CCCC1)C(=O)[O-] 7a_217856618621_100000740388 [0,1,0,0,0,1|2,0,0]=4 3917 B12R1.264 C[C@H](OCC1CCCO1)C(=O)[O-] 7a_217856618621_100000203698 [0,1,0,0,0,1|1,0,0]=3 3918 B12R1.264 C[C@H](OCC1OCCO1)C(=O)[O-] 7a_217856618621_100000755774 [0,1,0,0,0,1|2,0,0]=4 3919 B12R1.264 NC(=O)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_100011215815 [0,1,0,0,0,1|2,0,0]=4 3920 B12R1.264 NC(=O)C(F)NC[C@@H]1CCCO1 2230a_100020590478_100009813875 [0,1,0,0,0,1|2,0,0]=4 3921 B12R1.264 NC(=O)C(F)NC[C@@H]1CCCO1 34a_100020590478_100009813875 [0,1,0,0,0,1|2,0,0]=4 3922 B12R1.264 NC(=O)C(F)OCC1CCCC1 34a_100000742336_100009813875 [0,1,0,0,0,1|2,0,0]=4 3923 B12R1.264 NC(=O)C(F)OCC1CCCC1 7a_100000742336_100009813875 [0,1,0,0,0,1|2,0,0]=4 3924 B12R1.264 NC(=O)C(F)OCC1CCCO1 34a_100000210270_100009813875 [0,1,0,0,0,1|1,0,0]=3 3925 B12R1.264 NC(=O)C(F)OCC1CCCO1 7a_100000210270_100009813875 [0,1,0,0,0,1|1,0,0]=3 3926 B12R1.264 NC(=O)C(F)OCC1COCO1 34a_100011216627_100009813875 [0,1,0,0,0,1|2,0,0]=4 3927 B12R1.264 NC(=O)C(F)OCC1OCCO1 34a_100000087154_100009813875 [0,1,0,0,0,1|2,0,0]=4 3928 B12R1.264 NC(=O)C(F)OC[C@H]1CCCN1 34a_100000745186_100009813875 [0,1,0,0,0,1|2,0,0]=4 3929 B12R1.264 NC(=O)C(F)SCC1CCCO1 62a_100000203698_100009813875 [0,1,0,0,0,1|1,1,0]=4 3930 B12R1.264 NC(=O)C(F)SCC1CCCO1 62a_100009813875_100000203698 [0,1,0,0,0,1|1,1,0]=4 3931 B12R1.264 O=C([O-])C(F)NC[C@@H]1CCCO1 34a_100020590478_100020610796 [0,1,0,0,0,1|2,0,0]=4 3932 B12R1.264 O=C([O-])C(F)OCC1CCCC1 34a_100000742336_100020610796 [0,1,0,0,0,1|2,0,0]=4 3933 B12R1.264 O=C([O-])C(F)OCC1CCCO1 34a_100000210270_100020610796 [0,1,0,0,0,1|1,0,0]=3 3934 B12R1.264 O=C([O-])C(F)OCC1COCO1 34a_100011216627_100020610796 [0,1,0,0,0,1|2,0,0]=4 3935 B12R1.264 O=C([O-])C(F)OCC1OCCO1 34a_100000087154_100020610796 [0,1,0,0,0,1|2,0,0]=4 3936 B12R1.264 O=C([O-])C(F)OC[C@H]1CCCN1 34a_100000745186_100020610796 [0,1,0,0,0,1|2,0,0]=4 3937 B12R1.264 O=C([O-])C(F)SCC1CCCO1 62a_100000203698_100020610796 [0,1,0,0,0,1|1,1,0]=4 3938 B12R1.264 O=C([O-])C(F)SCC1CCCO1 62a_100020610796_100000203698 [0,1,0,0,0,1|1,1,0]=4 3939 B12R1.477 C=C(C#N)COCC1CCCO1 34a_100000210270_100000694840 [0,1,0,0,0,1|1,0,1]=4 3940 B12R1.477 C=CC(C)COCC1CCCO1 7a_100011215527_100000203698 [0,1,0,0,0,1|1,0,1]=4 3941 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [0,1,0,0,0,1|2,0,0]=4 3942 B12R1.477 CCC(=O)CCCC1OCCO1 1458a_100000210414_100000042513 [0,1,0,0,0,1|2,0,0]=4 3943 B12R1.477 CCC(=O)COCC1CCCC1 34a_100000725409_100000740388 [0,1,0,0,0,1|1,0,0]=3 3944 B12R1.477 CCC(=O)COCC1CCCC1 7a_100000742336_100000747405 [0,1,0,0,0,1|1,0,0]=3 3945 B12R1.477 CCC(=O)COCC1CCCO1 1458a_100011223388_100000210202 [0,1,0,0,0,1|0,0,0]=2 3946 B12R1.477 CCC(=O)COCC1CCCO1 7a_100000210270_100000747405 [0,1,0,0,0,1|0,0,0]=2 3947 B12R1.477 CCC(=O)COCC1CCOC1 34a_100000725409_100011261433 [0,1,0,0,0,1|2,0,0]=4 3948 B12R1.477 CCC(=O)COCC1OCCO1 34a_100000725409_100000755774 [0,1,0,0,0,1|1,0,0]=3 3949 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000740388_100000747405 [0,1,0,0,0,1|1,1,0]=4 3950 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000747405_100000740388 [0,1,0,0,0,1|1,1,0]=4 3951 B12R1.477 CCC(=O)CSCC1CCCO1 1458a_100000217298_100000210202 [0,1,0,0,0,1|0,1,0]=3 3952 B12R1.477 CCC(=O)CSCC1CCCO1 62a_100000203698_100000747405 [0,1,0,0,0,1|0,1,0]=3 3953 B12R1.477 CCC(=O)CSCC1CCCO1 62a_100000747405_100000203698 [0,1,0,0,0,1|0,1,0]=3 3954 B12R1.477 CCC(=O)CSCC1OCCO1 62a_100000747405_100000755774 [0,1,0,0,0,1|1,1,0]=4 3955 B12R1.477 CCC(=O)CSCC1OCCO1 62a_100000755774_100000747405 [0,1,0,0,0,1|1,1,0]=4 3956 B12R1.477 CCC(=O)NCCC1CCCC1 11a_100000739158_100000210414 [0,1,0,0,0,1|2,0,0]=4 3957 B12R1.477 CCC(=O)NCCC1CCCC1 1626a_100000739158_100000210414 [0,1,0,0,0,1|2,0,0]=4 3958 B12R1.477 CCC(=O)NCCC1CCCC1 240690a_100000739158_100000210414 [0,1,0,0,0,1|2,0,0]=4 3959 B12R1.477 CCC(=O)NCCC1CCCC1 527a_100000739158_100000210414 [0,1,0,0,0,1|2,0,0]=4 3960 B12R1.477 CCC(=O)NCCC1OCCO1 11a_100000034215_100000210414 [0,1,0,0,0,1|2,0,0]=4 3961 B12R1.477 CCC(=O)NCCC1OCCO1 1626a_100000034215_100000210414 [0,1,0,0,0,1|2,0,0]=4 3962 B12R1.477 CCC(=O)NCCC1OCCO1 240690a_100000034215_100000210414 [0,1,0,0,0,1|2,0,0]=4 3963 B12R1.477 CCC(=O)NCCC1OCCO1 527a_100000034215_100000210414 [0,1,0,0,0,1|2,0,0]=4 3964 B12R1.477 CCC(C)COCC1CCCO1 34a_100000210270_100000748023 [0,1,0,0,0,1|1,0,1]=4 3965 B12R1.477 CCC(C)COCC1CCCO1 7a_100000210270_100000748023 [0,1,0,0,0,1|1,0,1]=4 3966 B12R1.477 CCC(O)COCC1CCCO1 34a_100000210270_100011218378 [0,1,0,0,0,1|0,0,2]=4 3967 B12R1.477 CCC(O)COCC1CCCO1 7a_100000210270_100011218378 [0,1,0,0,0,1|0,0,2]=4 3968 B12R1.477 CC[C@H](C)COCC1CCCO1 34a_100000210270_100009816398 [0,1,0,0,0,1|1,0,1]=4 3969 B12R1.477 CC[C@H](C)COCC1CCCO1 7a_100000210270_100009816398 [0,1,0,0,0,1|1,0,1]=4 3970 B12R1.477 CC[C@H](C)COCC1CCCO1 7a_100009816381_100000203698 [0,1,0,0,0,1|1,0,1]=4 3971 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000211070_100000737683 [0,1,0,0,0,1|2,0,0]=4 3972 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000738227_100000179811 [0,1,0,0,0,1|2,0,0]=4 3973 B12R1.477 CNC(=O)CCNC1CCCC1 270004a_100000738227_100000210133 [0,1,0,0,0,1|2,0,0]=4 3974 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000211070_100012179268 [0,1,0,0,0,1|2,0,0]=4 3975 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000738227_100000179811 [0,1,0,0,0,1|2,0,0]=4 3976 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000210269_100012179268 [0,1,0,0,0,1|2,0,0]=4 3977 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000754576_100000179811 [0,1,0,0,0,1|2,0,0]=4 3978 B12R1.477 CNC(=O)CCOC1CCCC1 7a_100000210269_100000737683 [0,1,0,0,0,1|2,0,0]=4 3979 B12R1.477 CNC(=O)CCOC1CCCO1 34a_100000085407_100012179268 [0,1,0,0,0,1|1,0,0]=3 3980 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100000737683_100000179811 [0,1,0,0,0,1|2,0,0]=4 3981 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100011217020_100000737683 [0,1,0,0,0,1|2,0,0]=4 3982 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000693194_100000740388 [0,1,0,0,0,1|2,0,0]=4 3983 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000737975_100000183359 [0,1,0,0,0,1|2,0,0]=4 3984 B12R1.477 CNC(=O)CNCC1CCCC1 269862a_100000693194_100000746403 [0,1,0,0,0,1|2,0,0]=4 3985 B12R1.477 CNC(=O)CNCC1CCCC1 34a_100000737975_100000183359 [0,1,0,0,0,1|2,0,0]=4 3986 B12R1.477 CNC(=O)CNCC1CCCO1 2230a_100000693194_100000203698 [0,1,0,0,0,1|1,0,0]=3 3987 B12R1.477 CNC(=O)CNCC1OCCO1 2230a_100000036311_100000183359 [0,1,0,0,0,1|2,0,0]=4 3988 B12R1.477 CNC(=O)CNCC1OCCO1 2230a_100000693194_100000755774 [0,1,0,0,0,1|2,0,0]=4 3989 B12R1.477 CNC(=O)CNCC1OCCO1 34a_100000036311_100000183359 [0,1,0,0,0,1|2,0,0]=4 3990 B12R1.477 CNC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000183359 [0,1,0,0,0,1|1,0,0]=3 3991 B12R1.477 CNC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000183359 [0,1,0,0,0,1|1,0,0]=3 3992 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000742336_100000183359 [0,1,0,0,0,1|1,0,0]=3 3993 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000750040_100000740388 [0,1,0,0,0,1|1,0,0]=3 3994 B12R1.477 CNC(=O)COCC1CCCC1 7a_100000742336_100000183359 [0,1,0,0,0,1|1,0,0]=3 3995 B12R1.477 CNC(=O)COCC1CCCO1 11a_106832991635_100011223388 [0,1,0,0,0,1|0,0,0]=2 3996 B12R1.477 CNC(=O)COCC1CCCO1 1626a_100102657272_100011223388 [0,1,0,0,0,1|0,0,0]=2 3997 B12R1.477 CNC(=O)COCC1CCCO1 240690a_100102657272_100011223388 [0,1,0,0,0,1|0,0,0]=2 3998 B12R1.477 CNC(=O)COCC1CCCO1 34a_100000210270_100000183359 [0,1,0,0,0,1|0,0,0]=2 3999 B12R1.477 CNC(=O)COCC1CCCO1 527a_100102657272_100011223388 [0,1,0,0,0,1|0,0,0]=2 4000 B12R1.477 CNC(=O)COCC1CCCO1 7a_100000210270_100000183359 [0,1,0,0,0,1|0,0,0]=2 4001 B12R1.477 CNC(=O)COCC1CCNC1 34a_100000748654_100000183359 [0,1,0,0,0,1|2,0,0]=4 4002 B12R1.477 CNC(=O)COCC1CCOC1 34a_100000740260_100000183359 [0,1,0,0,0,1|2,0,0]=4 4003 B12R1.477 CNC(=O)COCC1CCOC1 34a_100000750040_100011261433 [0,1,0,0,0,1|2,0,0]=4 4004 B12R1.477 CNC(=O)COCC1COCO1 34a_100011216627_100000183359 [0,1,0,0,0,1|1,0,0]=3 4005 B12R1.477 CNC(=O)COCC1OCCO1 34a_100000087154_100000183359 [0,1,0,0,0,1|1,0,0]=3 4006 B12R1.477 CNC(=O)COCC1OCCO1 34a_100000750040_100000755774 [0,1,0,0,0,1|1,0,0]=3 4007 B12R1.477 CNC(=O)COC[C@H]1CCCN1 34a_100000745186_100000183359 [0,1,0,0,0,1|1,0,0]=3 4008 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000183359_100000740388 [0,1,0,0,0,1|1,1,0]=4 4009 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000740388_100000183359 [0,1,0,0,0,1|1,1,0]=4 4010 B12R1.477 CNC(=O)CSCC1CCCO1 11a_106832991635_100000217298 [0,1,0,0,0,1|0,1,0]=3 4011 B12R1.477 CNC(=O)CSCC1CCCO1 1626a_100102657272_100000217298 [0,1,0,0,0,1|0,1,0]=3 4012 B12R1.477 CNC(=O)CSCC1CCCO1 240690a_100102657272_100000217298 [0,1,0,0,0,1|0,1,0]=3 4013 B12R1.477 CNC(=O)CSCC1CCCO1 527a_100102657272_100000217298 [0,1,0,0,0,1|0,1,0]=3 4014 B12R1.477 CNC(=O)CSCC1CCCO1 62a_100000183359_100000203698 [0,1,0,0,0,1|0,1,0]=3 4015 B12R1.477 CNC(=O)CSCC1CCCO1 62a_100000203698_100000183359 [0,1,0,0,0,1|0,1,0]=3 4016 B12R1.477 CNC(=O)CSCC1OCCO1 62a_100000183359_100000755774 [0,1,0,0,0,1|1,1,0]=4 4017 B12R1.477 CNC(=O)CSCC1OCCO1 62a_100000755774_100000183359 [0,1,0,0,0,1|1,1,0]=4 4018 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100000739158_106832991635 [0,1,0,0,0,1|2,0,0]=4 4019 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100102657272_100000739158 [0,1,0,0,0,1|2,0,0]=4 4020 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100000739158_100102657272 [0,1,0,0,0,1|2,0,0]=4 4021 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100102657272_100000739158 [0,1,0,0,0,1|2,0,0]=4 4022 B12R1.477 CNC(=O)NCCC1CCCC1 512a_100000739158_100102657272 [0,1,0,0,0,1|2,0,0]=4 4023 B12R1.477 CNC(=O)NCCC1CCCC1 512a_106832991638_100000739158 [0,1,0,0,0,1|2,0,0]=4 4024 B12R1.477 CNC(=O)NCCC1OCCO1 2708a_100000034215_106832991635 [0,1,0,0,0,1|2,0,0]=4 4025 B12R1.477 CNC(=O)NCCC1OCCO1 2708a_100102657272_100000034215 [0,1,0,0,0,1|2,0,0]=4 4026 B12R1.477 CNC(=O)NCCC1OCCO1 273464a_100000034215_100102657272 [0,1,0,0,0,1|2,0,0]=4 4027 B12R1.477 CNC(=O)NCCC1OCCO1 273464a_100102657272_100000034215 [0,1,0,0,0,1|2,0,0]=4 4028 B12R1.477 CNC(=O)NCCC1OCCO1 512a_100000034215_100102657272 [0,1,0,0,0,1|2,0,0]=4 4029 B12R1.477 CNC(=O)NCCC1OCCO1 512a_106832991638_100000034215 [0,1,0,0,0,1|2,0,0]=4 4030 B12R1.477 CNC(=O)OCCN1CCCC1 269982a_100000188435_200011997002 [0,1,0,0,0,1|2,0,0]=4 4031 B12R1.477 COC(=O)CCNC1CCCC1 2230a_100000211070_100000204255 [0,1,0,0,0,1|2,0,0]=4 4032 B12R1.477 COC(=O)CCNC1CCCC1 34a_100000211070_100000742370 [0,1,0,0,0,1|2,0,0]=4 4033 B12R1.477 COC(=O)CCOC1CCCC1 34a_100000210269_100000742370 [0,1,0,0,0,1|2,0,0]=4 4034 B12R1.477 COC(=O)CCOC1CCCC1 7a_100000210269_100000204255 [0,1,0,0,0,1|2,0,0]=4 4035 B12R1.477 COC(=O)CCOC1CCCO1 34a_100000085407_100000742370 [0,1,0,0,0,1|1,0,0]=3 4036 B12R1.477 COC(=O)CCSC1CCCC1 62a_100000204255_100000179811 [0,1,0,0,0,1|2,0,0]=4 4037 B12R1.477 COC(=O)CCSC1CCCC1 62a_100011217020_100000204255 [0,1,0,0,0,1|2,0,0]=4 4038 B12R1.477 COC(=O)CNCC1CCCC1 2230a_100000737975_100000747449 [0,1,0,0,0,1|2,0,0]=4 4039 B12R1.477 COC(=O)CNCC1CCCC1 34a_100000737975_100000747449 [0,1,0,0,0,1|2,0,0]=4 4040 B12R1.477 COC(=O)CNCC1OCCO1 2230a_100000036311_100000747449 [0,1,0,0,0,1|2,0,0]=4 4041 B12R1.477 COC(=O)CNCC1OCCO1 34a_100000036311_100000747449 [0,1,0,0,0,1|2,0,0]=4 4042 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747449 [0,1,0,0,0,1|1,0,0]=3 4043 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000747449 [0,1,0,0,0,1|1,0,0]=3 4044 B12R1.477 COC(=O)COCC1CCCC1 34a_100000742336_100000747449 [0,1,0,0,0,1|1,0,0]=3 4045 B12R1.477 COC(=O)COCC1CCCC1 7a_100000742336_100000747449 [0,1,0,0,0,1|1,0,0]=3 4046 B12R1.477 COC(=O)COCC1CCCO1 34a_100000210270_100000747449 [0,1,0,0,0,1|0,0,0]=2 4047 B12R1.477 COC(=O)COCC1CCCO1 7a_100000210270_100000747449 [0,1,0,0,0,1|0,0,0]=2 4048 B12R1.477 COC(=O)COCC1CCNC1 34a_100000748654_100000747449 [0,1,0,0,0,1|2,0,0]=4 4049 B12R1.477 COC(=O)COCC1CCOC1 34a_100000740260_100000747449 [0,1,0,0,0,1|2,0,0]=4 4050 B12R1.477 COC(=O)COCC1COCO1 34a_100011216627_100000747449 [0,1,0,0,0,1|1,0,0]=3 4051 B12R1.477 COC(=O)COCC1OCCO1 34a_100000087154_100000747449 [0,1,0,0,0,1|1,0,0]=3 4052 B12R1.477 COC(=O)COC[C@H]1CCCN1 34a_100000745186_100000747449 [0,1,0,0,0,1|1,0,0]=3 4053 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000740388_100000747449 [0,1,0,0,0,1|1,1,0]=4 4054 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000747449_100000740388 [0,1,0,0,0,1|1,1,0]=4 4055 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000203698_100000747449 [0,1,0,0,0,1|0,1,0]=3 4056 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000747449_100000203698 [0,1,0,0,0,1|0,1,0]=3 4057 B12R1.477 COC(=O)CSCC1OCCO1 62a_100000747449_100000755774 [0,1,0,0,0,1|1,1,0]=4 4058 B12R1.477 COC(=O)CSCC1OCCO1 62a_100000755774_100000747449 [0,1,0,0,0,1|1,1,0]=4 4059 B12R1.477 COC(=O)OCSC1CCCC1 62a_100011217020_100000139417 [0,1,0,0,0,1|1,0,0]=3 4060 B12R1.477 C[C@@H](CO)COCC1CCCO1 34a_100000210270_100000059175 [0,1,0,0,0,1|0,0,2]=4 4061 B12R1.477 C[C@@H](CO)COCC1CCCO1 7a_100000210270_100000059175 [0,1,0,0,0,1|0,0,2]=4 4062 B12R1.477 O=C(CF)COCC1CCCO1 1458a_100011223388_100015361967 [0,1,0,0,0,1|0,0,0]=2 4063 B12R1.477 O=C(CF)CSCC1CCCO1 1458a_100000217298_100015361967 [0,1,0,0,0,1|0,1,0]=3 4064 B12R1.477 O=C(CO)CCCC1CCCC1 1458a_100000210174_100011713738 [0,1,0,0,0,1|2,0,0]=4 4065 B12R1.477 O=C(CO)CCCC1OCCO1 1458a_100000210174_100000042513 [0,1,0,0,0,1|2,0,0]=4 4066 B12R1.477 O=C(CO)NCCC1CCCC1 240690a_100000739158_100000210174 [0,1,0,0,0,1|2,0,0]=4 4067 B12R1.477 O=C(CO)NCCC1CCCC1 527a_100000739158_100000210174 [0,1,0,0,0,1|2,0,0]=4 4068 B12R1.477 O=C(CO)NCCC1OCCO1 240690a_100000034215_100000210174 [0,1,0,0,0,1|2,0,0]=4 4069 B12R1.477 O=C(CO)NCCC1OCCO1 527a_100000034215_100000210174 [0,1,0,0,0,1|2,0,0]=4 4070 B12R1.477 OCC(O)COCC1CCCO1 34a_100000210270_100011219619 [0,1,0,0,0,1|0,0,2]=4 4071 B12R1.477 OCC(O)COCC1CCCO1 7a_100000210270_100011219619 [0,1,0,0,0,1|0,0,2]=4 4072 B12R1.477 OC[C@H](O)COCC1CCCO1 34a_100000210270_100009815848 [0,1,0,0,0,1|0,0,2]=4 4073 B12R1.477 OC[C@H](O)COCC1CCCO1 7a_100000210270_100009815848 [0,1,0,0,0,1|0,0,2]=4 4074 B12R1.477 O[C@@H](CF)COCC1CCCO1 34a_100000210270_100015614560 [0,1,0,0,0,1|0,0,2]=4 4075 B12R1.477 O[C@@H](CF)COCC1CCCO1 7a_100000210270_100015614560 [0,1,0,0,0,1|0,0,2]=4 4076 B12R1.890 CC(C)(C)COCC1CCCO1 34a_100000210270_100011219605 [0,1,0,0,0,1|1,0,1]=4 4077 B12R1.890 CC(C)(F)COCC1CCCO1 34a_100000210270_100011997219 [0,1,0,0,0,1|1,0,1]=4 4078 B12R1.890 CC(C)(O)COCC1CCCO1 34a_100000210270_100000764493 [0,1,0,0,0,1|0,0,2]=4 4079 B12R1.890 CC(C)(O)COCC1CCCO1 7a_100000210270_100000764493 [0,1,0,0,0,1|0,0,2]=4 4080 B12R1.890 CS(=O)(=O)CCOC1CCCO1 34a_100000085407_100000731031 [0,1,0,0,0,1|2,0,0]=4 4081 B12R1.890 C[Si](C)(C)COCC1CCCO1 7a_100000210270_100000233785 [0,1,0,0,0,1|1,1,0]=4 4082 B12R1.890 O=S(=O)([O-])COCC1CCCO1 34a_100000210270_100009817235 [0,1,0,0,0,1|2,0,0]=4 4083 B12R1.1809 C=C(C)COCC1(CCCC1)N 34a_100000749328_100000748629 [0,1,0,0,0,1|2,0,0]=4 4084 B12R1.1809 C=C(C)COC[C@@]1(CCCN1)C 34a_100016195882_100000748629 [0,1,0,0,0,1|2,0,0]=4 4085 B12R1.1809 CC(=O)CCCC1(OCCO1)C 1458a_100000070787_100000037737 [0,1,0,0,0,1|2,0,0]=4 4086 B12R1.1809 CC(=O)CCOC1(CCCC1)C 7a_100000751722_100000053229 [0,1,0,0,0,1|2,0,0]=4 4087 B12R1.1809 CC(=O)NCCC1(CCCC1)O 11a_100000719956_100015343762 [0,1,0,0,0,1|2,0,0]=4 4088 B12R1.1809 CC(=O)NCCC1(CCCC1)O 1626a_100000719956_100015343762 [0,1,0,0,0,1|2,0,0]=4 4089 B12R1.1809 CC(=O)NCCC1(CCCC1)O 240690a_100000719956_100015343762 [0,1,0,0,0,1|2,0,0]=4 4090 B12R1.1809 CC(=O)NCCC1(CCCC1)O 527a_100000719956_100103153847 [0,1,0,0,0,1|2,0,0]=4 4091 B12R1.1809 CC(=O)NCCC1(OCCO1)C 1626a_100000073055_100015343762 [0,1,0,0,0,1|2,0,0]=4 4092 B12R1.1809 CC(=O)NCCC1(OCCO1)C 240690a_100000073055_100015343762 [0,1,0,0,0,1|2,0,0]=4 4093 B12R1.1809 CC(=O)NCCC1(OCCO1)C 527a_100000073055_100103153847 [0,1,0,0,0,1|2,0,0]=4 4094 B12R1.1809 CC(=O)OCOC1(CCCC1)C 34a_100000751722_100009813279 [0,1,0,0,0,1|1,0,0]=3 4095 B12R1.1809 C[C@]1(CCCN1)COCC(=O)N 34a_100016195882_100000187820 [0,1,0,0,0,1|2,0,0]=4 4096 B12R1.1809 C[C@]1(CCCN1)COCC(=O)[O-] 34a_100016195882_100020667443 [0,1,0,0,0,1|2,0,0]=4 4097 B12R1.1809 NC(=O)COCC1(CCCC1)N 34a_100000749328_100000187820 [0,1,0,0,0,1|2,0,0]=4 4098 B12R1.1809 NC1(CCCC1)COCC(=O)[O-] 34a_100000749328_100020667443 [0,1,0,0,0,1|2,0,0]=4 4099 B12R1.15 C=CC(=O)NC(C)C1CCCO1 1626a_100025754208_100000185746 [0,2,0,0,0,0|1,0,1]=4 4100 B12R1.15 C=CC(=O)NC(C)C1CCCO1 240690a_100025754208_200121576911 [0,2,0,0,0,0|1,0,1]=4 4101 B12R1.15 CC(NC(=O)CO)C1CCCC1 240690a_100015185923_100000210174 [0,2,0,0,0,0|2,0,0]=4 4102 B12R1.15 CC(NC(=O)CO)C1CCCC1 527a_100015185923_100000210174 [0,2,0,0,0,0|2,0,0]=4 4103 B12R1.15 CC(NC(=O)CO)C1CCCO1 240690a_100025754208_100000210174 [0,2,0,0,0,0|1,0,0]=3 4104 B12R1.15 CC(NC(=O)CO)C1CCCO1 527a_100025754208_100000210174 [0,2,0,0,0,0|1,0,0]=3 4105 B12R1.15 CCC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000747405 [0,2,0,0,0,0|1,0,1]=4 4106 B12R1.15 CCC(=O)NC(C)C1CCCC1 11a_100015185923_100000210414 [0,2,0,0,0,0|2,0,0]=4 4107 B12R1.15 CCC(=O)NC(C)C1CCCC1 1626a_100015185923_100000210414 [0,2,0,0,0,0|2,0,0]=4 4108 B12R1.15 CCC(=O)NC(C)C1CCCC1 240690a_100015185923_100000210414 [0,2,0,0,0,0|2,0,0]=4 4109 B12R1.15 CCC(=O)NC(C)C1CCCC1 527a_100015185923_100000210414 [0,2,0,0,0,0|2,0,0]=4 4110 B12R1.15 CCC(=O)NC(C)C1CCCO1 11a_100025754208_100000210414 [0,2,0,0,0,0|1,0,0]=3 4111 B12R1.15 CCC(=O)NC(C)C1CCCO1 1626a_100025754208_100000210414 [0,2,0,0,0,0|1,0,0]=3 4112 B12R1.15 CCC(=O)NC(C)C1CCCO1 240690a_100025754208_100000210414 [0,2,0,0,0,0|1,0,0]=3 4113 B12R1.15 CCC(=O)NC(C)C1CCCO1 527a_100025754208_100000210414 [0,2,0,0,0,0|1,0,0]=3 4114 B12R1.15 CNC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000183359 [0,2,0,0,0,0|1,0,1]=4 4115 B12R1.15 CNC(=O)NC(C)C1CCCC1 2708a_100015185923_106832991635 [0,2,0,0,0,0|2,0,0]=4 4116 B12R1.15 CNC(=O)NC(C)C1CCCC1 2708a_100102657272_100015185923 [0,2,0,0,0,0|2,0,0]=4 4117 B12R1.15 CNC(=O)NC(C)C1CCCC1 273464a_100015185923_100102657272 [0,2,0,0,0,0|2,0,0]=4 4118 B12R1.15 CNC(=O)NC(C)C1CCCC1 273464a_100102657272_100015185923 [0,2,0,0,0,0|2,0,0]=4 4119 B12R1.15 CNC(=O)NC(C)C1CCCC1 512a_100015185923_100102657272 [0,2,0,0,0,0|2,0,0]=4 4120 B12R1.15 CNC(=O)NC(C)C1CCCC1 512a_106832991638_100015185923 [0,2,0,0,0,0|2,0,0]=4 4121 B12R1.15 CNC(=O)NC(C)C1CCCO1 2708a_100025754208_106832991635 [0,2,0,0,0,0|1,0,0]=3 4122 B12R1.15 CNC(=O)NC(C)C1CCCO1 2708a_100102657272_100025754208 [0,2,0,0,0,0|1,0,0]=3 4123 B12R1.15 CNC(=O)NC(C)C1CCCO1 273464a_100025754208_100102657272 [0,2,0,0,0,0|1,0,0]=3 4124 B12R1.15 CNC(=O)NC(C)C1CCCO1 273464a_100102657272_100025754208 [0,2,0,0,0,0|1,0,0]=3 4125 B12R1.15 CNC(=O)NC(C)C1CCCO1 512a_100025754208_100102657272 [0,2,0,0,0,0|1,0,0]=3 4126 B12R1.15 CNC(=O)NC(C)C1CCCO1 512a_106832991638_100025754208 [0,2,0,0,0,0|1,0,0]=3 4127 B12R1.15 COC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000747449 [0,2,0,0,0,0|1,0,1]=4 4128 B12R1.51 C#CCC(=O)CCC1CCCC1 1458a_100000211120_100000184674 [0,2,0,0,0,0|2,0,0]=4 4129 B12R1.51 C#CCC(=O)CCC1CCCC1 1458a_100011220946_100000760354 [0,2,0,0,0,0|2,0,0]=4 4130 B12R1.51 C#CCC(=O)CCC1CCCO1 1458a_100011247709_100000184674 [0,2,0,0,0,0|1,0,0]=3 4131 B12R1.51 C#CCC(=O)CCC1OCCO1 1458a_100000082924_100000184674 [0,2,0,0,0,0|2,0,0]=4 4132 B12R1.51 C#CCC(=O)CCC1OCCO1 1458a_100011220946_100000740749 [0,2,0,0,0,0|2,0,0]=4 4133 B12R1.51 C#CCC(=O)CCN1CCCO1 1458a_200015187630_100000184674 [0,2,0,0,0,0|2,0,0]=4 4134 B12R1.51 C#CCC(=O)NCC1CCCC1 1626a_100000737975_100011220946 [0,2,0,0,0,0|2,0,0]=4 4135 B12R1.51 C#CCC(=O)NCC1CCCC1 527a_100000737975_100011220946 [0,2,0,0,0,0|2,0,0]=4 4136 B12R1.51 C#CCC(=O)NCC1OCCO1 1626a_100000036311_100011220946 [0,2,0,0,0,0|2,0,0]=4 4137 B12R1.51 C#CCC(=O)NCC1OCCO1 527a_100000036311_100011220946 [0,2,0,0,0,0|2,0,0]=4 4138 B12R1.51 C#CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100011220946 [0,2,0,0,0,0|1,0,0]=3 4139 B12R1.51 C#CCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100011220946 [0,2,0,0,0,0|1,0,0]=3 4140 B12R1.51 C#CCC(C)OCC1CCCO1 7a_100000685586_100000203698 [0,2,0,0,0,0|1,0,1]=4 4141 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000210193_100000760354 [0,2,0,0,0,0|2,0,0]=4 4142 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000211120_100000210623 [0,2,0,0,0,0|2,0,0]=4 4143 B12R1.51 C=CCC(=O)CCC1CCCO1 1458a_100011247709_100000210623 [0,2,0,0,0,0|1,0,0]=3 4144 B12R1.51 C=CCC(=O)CCC1OCCO1 1458a_100000082924_100000210623 [0,2,0,0,0,0|2,0,0]=4 4145 B12R1.51 C=CCC(=O)CCC1OCCO1 1458a_100000210193_100000740749 [0,2,0,0,0,0|2,0,0]=4 4146 B12R1.51 C=CCC(=O)CCN1CCCO1 1458a_200015187630_100000210623 [0,2,0,0,0,0|2,0,0]=4 4147 B12R1.51 C=CCC(=O)NCC1CCCC1 11a_100000737975_100000210193 [0,2,0,0,0,0|2,0,0]=4 4148 B12R1.51 C=CCC(=O)NCC1CCCC1 1626a_100000737975_100000210193 [0,2,0,0,0,0|2,0,0]=4 4149 B12R1.51 C=CCC(=O)NCC1CCCC1 240690a_100000737975_100000210193 [0,2,0,0,0,0|2,0,0]=4 4150 B12R1.51 C=CCC(=O)NCC1CCCC1 527a_100000737975_100000210193 [0,2,0,0,0,0|2,0,0]=4 4151 B12R1.51 C=CCC(=O)NCC1OCCO1 11a_100000036311_100000210193 [0,2,0,0,0,0|2,0,0]=4 4152 B12R1.51 C=CCC(=O)NCC1OCCO1 1626a_100000036311_100000210193 [0,2,0,0,0,0|2,0,0]=4 4153 B12R1.51 C=CCC(=O)NCC1OCCO1 527a_100000036311_100000210193 [0,2,0,0,0,0|2,0,0]=4 4154 B12R1.51 C=CCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210193 [0,2,0,0,0,0|1,0,0]=3 4155 B12R1.51 C=CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210193 [0,2,0,0,0,0|1,0,0]=3 4156 B12R1.51 C=CCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210193 [0,2,0,0,0,0|1,0,0]=3 4157 B12R1.51 C=CCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210193 [0,2,0,0,0,0|1,0,0]=3 4158 B12R1.51 C=CC[C@@H](C)OCC1CCCO1 7a_100000731007_100000203698 [0,2,0,0,0,0|1,0,1]=4 4159 B12R1.51 CC#CC(=O)CCC1CCCC1 1458a_100000763181_100000760354 [0,2,0,0,0,0|2,0,0]=4 4160 B12R1.51 CC#CC(=O)CCC1OCCO1 1458a_100000763181_100000740749 [0,2,0,0,0,0|2,0,0]=4 4161 B12R1.51 CC(CC#N)OCC1CCCO1 7a_100000210270_100009813641 [0,2,0,0,0,0|1,0,1]=4 4162 B12R1.51 CC(CCO)OCC1CCCO1 34a_100000210270_100009893172 [0,2,0,0,0,0|0,0,2]=4 4163 B12R1.51 CC(CCO)OCC1CCCO1 7a_100000210270_100009893172 [0,2,0,0,0,0|0,0,2]=4 4164 B12R1.51 CC=CC(=O)CCC1CCCC1 1458a_100000210699_100000760354 [0,2,0,0,0,0|2,0,0]=4 4165 B12R1.51 CC=CC(=O)CCC1OCCO1 1458a_100000210699_100000740749 [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.51 CC=CC(=O)NCC1CCCC1 11a_100000737975_100000210699 [0,2,0,0,0,0|2,0,0]=4 4167 B12R1.51 CC=CC(=O)NCC1CCCC1 1626a_100000737975_100000210699 [0,2,0,0,0,0|2,0,0]=4 4168 B12R1.51 CC=CC(=O)NCC1CCCC1 240690a_100000737975_100000210699 [0,2,0,0,0,0|2,0,0]=4 4169 B12R1.51 CC=CC(=O)NCC1OCCO1 11a_100000036311_100000210699 [0,2,0,0,0,0|2,0,0]=4 4170 B12R1.51 CC=CC(=O)NCC1OCCO1 1626a_100000036311_100000210699 [0,2,0,0,0,0|2,0,0]=4 4171 B12R1.51 CC=CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210699 [0,2,0,0,0,0|1,0,0]=3 4172 B12R1.51 CC=CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210699 [0,2,0,0,0,0|1,0,0]=3 4173 B12R1.51 CC=CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210699 [0,2,0,0,0,0|1,0,0]=3 4174 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [0,2,0,0,0,0|2,0,0]=4 4175 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [0,2,0,0,0,0|2,0,0]=4 4176 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [0,2,0,0,0,0|1,0,0]=3 4177 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000082924_100000210303 [0,2,0,0,0,0|2,0,0]=4 4178 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000211992_100000740749 [0,2,0,0,0,0|2,0,0]=4 4179 B12R1.51 CCCC(=O)CCN1CCCO1 1458a_200015187630_100000210303 [0,2,0,0,0,0|2,0,0]=4 4180 B12R1.51 CCCC(=O)NCC1CCCC1 11a_100000737975_100000211992 [0,2,0,0,0,0|2,0,0]=4 4181 B12R1.51 CCCC(=O)NCC1CCCC1 1626a_100000737975_100000211992 [0,2,0,0,0,0|2,0,0]=4 4182 B12R1.51 CCCC(=O)NCC1CCCC1 240690a_100000737975_100000211992 [0,2,0,0,0,0|2,0,0]=4 4183 B12R1.51 CCCC(=O)NCC1CCCC1 527a_100000737975_100000211992 [0,2,0,0,0,0|2,0,0]=4 4184 B12R1.51 CCCC(=O)NCC1OCCO1 11a_100000036311_100000211992 [0,2,0,0,0,0|2,0,0]=4 4185 B12R1.51 CCCC(=O)NCC1OCCO1 1626a_100000036311_100000211992 [0,2,0,0,0,0|2,0,0]=4 4186 B12R1.51 CCCC(=O)NCC1OCCO1 527a_100000036311_100000211992 [0,2,0,0,0,0|2,0,0]=4 4187 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000211992 [0,2,0,0,0,0|1,0,0]=3 4188 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000211992 [0,2,0,0,0,0|1,0,0]=3 4189 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000211992 [0,2,0,0,0,0|1,0,0]=3 4190 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000211992 [0,2,0,0,0,0|1,0,0]=3 4191 B12R1.51 CCCC(=O)OCN1CCCC1 2230a_100000188435_100000034017 [0,2,0,0,0,0|2,0,0]=4 4192 B12R1.51 CCCC(=O)OCN1CCCC1 269982a_100000188435_100000034017 [0,2,0,0,0,0|2,0,0]=4 4193 B12R1.51 CCCC(C)OCC1CCCO1 34a_100000210270_100000766640 [0,2,0,0,0,0|1,0,1]=4 4194 B12R1.51 CCCC(C)OCC1CCCO1 7a_100000210270_100000766640 [0,2,0,0,0,0|1,0,1]=4 4195 B12R1.51 CCCC(C)OCC1CCCO1 7a_100000764384_100000203698 [0,2,0,0,0,0|1,0,1]=4 4196 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [0,2,0,0,0,0|2,0,0]=4 4197 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [0,2,0,0,0,0|2,0,0]=4 4198 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [0,2,0,0,0,0|2,0,0]=4 4199 B12R1.51 CCNC(=O)CCC1CCCO1 11a_100015525214_100011247709 [0,2,0,0,0,0|1,0,0]=3 4200 B12R1.51 CCNC(=O)CCC1CCCO1 240690a_100015525214_100011247709 [0,2,0,0,0,0|1,0,0]=3 4201 B12R1.51 CCNC(=O)CCC1CCCO1 527a_100015525214_100011247709 [0,2,0,0,0,0|1,0,0]=3 4202 B12R1.51 CCNC(=O)CCN1CCCO1 240690a_100015525214_200015187630 [0,2,0,0,0,0|2,0,0]=4 4203 B12R1.51 CCNC(=O)COC1CCCO1 34a_100000085407_100000183381 [0,2,0,0,0,0|2,0,0]=4 4204 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100000737975_100015525214 [0,2,0,0,0,0|2,0,0]=4 4205 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100015525214_100000737975 [0,2,0,0,0,0|2,0,0]=4 4206 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100000737975_100015525214 [0,2,0,0,0,0|2,0,0]=4 4207 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100015525214_100000737975 [0,2,0,0,0,0|2,0,0]=4 4208 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100000737975_100015525214 [0,2,0,0,0,0|2,0,0]=4 4209 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100015525214_100000737975 [0,2,0,0,0,0|2,0,0]=4 4210 B12R1.51 CCNC(=O)NCC1OCCO1 2708a_100000036311_100015525214 [0,2,0,0,0,0|2,0,0]=4 4211 B12R1.51 CCNC(=O)NCC1OCCO1 2708a_100015525214_100000036311 [0,2,0,0,0,0|2,0,0]=4 4212 B12R1.51 CCNC(=O)NCC1OCCO1 273464a_100000036311_100015525214 [0,2,0,0,0,0|2,0,0]=4 4213 B12R1.51 CCNC(=O)NCC1OCCO1 273464a_100015525214_100000036311 [0,2,0,0,0,0|2,0,0]=4 4214 B12R1.51 CCNC(=O)NCC1OCCO1 512a_100000036311_100015525214 [0,2,0,0,0,0|2,0,0]=4 4215 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100015525214_100020590478 [0,2,0,0,0,0|1,0,0]=3 4216 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_100015525214 [0,2,0,0,0,0|1,0,0]=3 4217 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100015525214_100020590478 [0,2,0,0,0,0|1,0,0]=3 4218 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100015525214 [0,2,0,0,0,0|1,0,0]=3 4219 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100015525214 [0,2,0,0,0,0|1,0,0]=3 4220 B12R1.51 CCOC(=O)COC1CCCO1 34a_100000085407_100000188475 [0,2,0,0,0,0|2,0,0]=4 4221 B12R1.51 CNCC(=O)NCC1CCCO1 2230a_106832991635_100000182893 [0,2,0,0,0,0|1,0,0]=3 4222 B12R1.51 CNCC(=O)NCC1CCCO1 7a_106832991635_100000182893 [0,2,0,0,0,0|1,0,0]=3 4223 B12R1.51 CNNC(=O)CCC1CCCC1 22a_100016993582_100000211120 [0,2,0,0,0,0|2,0,0]=4 4224 B12R1.51 CNNC(=O)CCC1CCCO1 22a_100016993582_100011247709 [0,2,0,0,0,0|1,0,0]=3 4225 B12R1.51 CNNC(=O)CCC1OCCO1 22a_100016993582_100000082924 [0,2,0,0,0,0|2,0,0]=4 4226 B12R1.51 CNNC(=O)NCC1CCCC1 273464a_100000737975_100016993582 [0,2,0,0,0,0|2,0,0]=4 4227 B12R1.51 CNNC(=O)NCC1CCCC1 512a_100000737975_100016993582 [0,2,0,0,0,0|2,0,0]=4 4228 B12R1.51 CNNC(=O)NCC1CCCC1 512a_100016993582_100000737975 [0,2,0,0,0,0|2,0,0]=4 4229 B12R1.51 CNNC(=O)NCC1OCCO1 273464a_100000036311_100016993582 [0,2,0,0,0,0|2,0,0]=4 4230 B12R1.51 CNNC(=O)NCC1OCCO1 512a_100000036311_100016993582 [0,2,0,0,0,0|2,0,0]=4 4231 B12R1.51 CNNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100016993582 [0,2,0,0,0,0|1,0,0]=3 4232 B12R1.51 CNNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100016993582 [0,2,0,0,0,0|1,0,0]=3 4233 B12R1.51 COCC(=O)CCC1CCCC1 1458a_100000210968_100000760354 [0,2,0,0,0,0|2,0,0]=4 4234 B12R1.51 COCC(=O)CCC1OCCO1 1458a_100000210968_100000740749 [0,2,0,0,0,0|2,0,0]=4 4235 B12R1.51 COCC(=O)NCC1CCCC1 11a_100000737975_100000210968 [0,2,0,0,0,0|2,0,0]=4 4236 B12R1.51 COCC(=O)NCC1CCCC1 1626a_100000737975_100000210968 [0,2,0,0,0,0|2,0,0]=4 4237 B12R1.51 COCC(=O)NCC1CCCC1 240690a_100000737975_100000210968 [0,2,0,0,0,0|2,0,0]=4 4238 B12R1.51 COCC(=O)NCC1CCCC1 527a_100000737975_100000210968 [0,2,0,0,0,0|2,0,0]=4 4239 B12R1.51 COCC(=O)NCC1OCCO1 11a_100000036311_100000210968 [0,2,0,0,0,0|2,0,0]=4 4240 B12R1.51 COCC(=O)NCC1OCCO1 1626a_100000036311_100000210968 [0,2,0,0,0,0|2,0,0]=4 4241 B12R1.51 COCC(=O)NCC1OCCO1 527a_100000036311_100000210968 [0,2,0,0,0,0|2,0,0]=4 4242 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210968 [0,2,0,0,0,0|1,0,0]=3 4243 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210968 [0,2,0,0,0,0|1,0,0]=3 4244 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210968 [0,2,0,0,0,0|1,0,0]=3 4245 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210968 [0,2,0,0,0,0|1,0,0]=3 4246 B12R1.51 COCC(C)OCC1CCCO1 34a_100000210270_100000765312 [0,2,0,0,0,0|0,0,2]=4 4247 B12R1.51 COCC(C)OCC1CCCO1 7a_100000210270_100000765312 [0,2,0,0,0,0|0,0,2]=4 4248 B12R1.51 CSCC(=O)CCC1CCCC1 1458a_100000184570_100000760354 [0,2,0,0,0,0|2,0,0]=4 4249 B12R1.51 CSCC(=O)CCC1OCCO1 1458a_100000184570_100000740749 [0,2,0,0,0,0|2,0,0]=4 4250 B12R1.51 CSCC(=O)NCC1CCCC1 11a_100000737975_100000184570 [0,2,0,0,0,0|2,0,0]=4 4251 B12R1.51 CSCC(=O)NCC1CCCC1 1626a_100000737975_100000184570 [0,2,0,0,0,0|2,0,0]=4 4252 B12R1.51 CSCC(=O)NCC1CCCC1 240690a_100000737975_100000184570 [0,2,0,0,0,0|2,0,0]=4 4253 B12R1.51 CSCC(=O)NCC1CCCC1 527a_100000737975_100000184570 [0,2,0,0,0,0|2,0,0]=4 4254 B12R1.51 CSCC(=O)NCC1CCCO1 62a_100000182893_200000210301 [0,2,0,0,0,0|1,0,0]=3 4255 B12R1.51 CSCC(=O)NCC1CCCO1 62a_200000210301_100000182893 [0,2,0,0,0,0|1,0,0]=3 4256 B12R1.51 CSCC(=O)NCC1OCCO1 11a_100000036311_100000184570 [0,2,0,0,0,0|2,0,0]=4 4257 B12R1.51 CSCC(=O)NCC1OCCO1 1626a_100000036311_100000184570 [0,2,0,0,0,0|2,0,0]=4 4258 B12R1.51 CSCC(=O)NCC1OCCO1 527a_100000036311_100000184570 [0,2,0,0,0,0|2,0,0]=4 4259 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000184570 [0,2,0,0,0,0|1,0,0]=3 4260 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000184570 [0,2,0,0,0,0|1,0,0]=3 4261 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000184570 [0,2,0,0,0,0|1,0,0]=3 4262 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000184570 [0,2,0,0,0,0|1,0,0]=3 4263 B12R1.51 N#CCC(=O)CCC1CCCC1 1458a_100000211120_100011214920 [0,2,0,0,0,0|2,0,0]=4 4264 B12R1.51 N#CCC(=O)CCC1CCCC1 1458a_100051588842_100000760354 [0,2,0,0,0,0|2,0,0]=4 4265 B12R1.51 N#CCC(=O)CCC1CCCO1 1458a_100011247709_100011214920 [0,2,0,0,0,0|1,0,0]=3 4266 B12R1.51 N#CCC(=O)CCC1OCCO1 1458a_100000082924_100011214920 [0,2,0,0,0,0|2,0,0]=4 4267 B12R1.51 N#CCC(=O)CCC1OCCO1 1458a_100051588842_100000740749 [0,2,0,0,0,0|2,0,0]=4 4268 B12R1.51 N#CCC(=O)CCN1CCCO1 1458a_200015187630_100011214920 [0,2,0,0,0,0|2,0,0]=4 4269 B12R1.51 N#CCC(=O)NCC1CCCC1 1626a_100000737975_100051588842 [0,2,0,0,0,0|2,0,0]=4 4270 B12R1.51 N#CCC(=O)NCC1CCCC1 240690a_100000737975_100051588842 [0,2,0,0,0,0|2,0,0]=4 4271 B12R1.51 N#CCC(=O)NCC1OCCO1 1626a_100000036311_100051588842 [0,2,0,0,0,0|2,0,0]=4 4272 B12R1.51 N#CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100051588842 [0,2,0,0,0,0|1,0,0]=3 4273 B12R1.51 N#CCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100051588842 [0,2,0,0,0,0|1,0,0]=3 4274 B12R1.51 O=C(C=CBr)NC[C@@H]1CCCO1 1626a_100020590478_100016273825 [0,2,0,0,0,0|1,0,1]=4 4275 B12R1.51 O=C(C=CBr)NC[C@@H]1CCCO1 240690a_100020590478_100016273825 [0,2,0,0,0,0|1,0,1]=4 4276 B12R1.51 O=C(C=CCl)NC[C@@H]1CCCO1 11a_100020590478_200016279998 [0,2,0,0,0,0|1,0,1]=4 4277 B12R1.51 O=C(C=CCl)NC[C@@H]1CCCO1 1626a_100020590478_200016279998 [0,2,0,0,0,0|1,0,1]=4 4278 B12R1.51 O=C(C=CCl)NC[C@@H]1CCCO1 240690a_100020590478_200016279998 [0,2,0,0,0,0|1,0,1]=4 4279 B12R1.51 O=C(C=CI)NC[C@@H]1CCCO1 1626a_100020590478_100016256311 [0,2,0,0,0,0|1,0,1]=4 4280 B12R1.51 O=C(CCF)CCC1CCCC1 1458a_100000211120_100011217306 [0,2,0,0,0,0|2,0,0]=4 4281 B12R1.51 O=C(CCF)CCC1CCCO1 1458a_100011247709_100011217306 [0,2,0,0,0,0|1,0,0]=3 4282 B12R1.51 O=C(CCF)CCC1OCCO1 1458a_100000082924_100011217306 [0,2,0,0,0,0|2,0,0]=4 4283 B12R1.51 O=C(CCF)CCN1CCCO1 1458a_200015187630_100011217306 [0,2,0,0,0,0|2,0,0]=4 4284 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100000211120_100000211926 [0,2,0,0,0,0|2,0,0]=4 4285 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100011216618_100000760354 [0,2,0,0,0,0|2,0,0]=4 4286 B12R1.51 O=C(CCO)CCC1CCCO1 1458a_100011247709_100000211926 [0,2,0,0,0,0|1,0,0]=3 4287 B12R1.51 O=C(CCO)CCC1OCCO1 1458a_100000082924_100000211926 [0,2,0,0,0,0|2,0,0]=4 4288 B12R1.51 O=C(CCO)CCC1OCCO1 1458a_100011216618_100000740749 [0,2,0,0,0,0|2,0,0]=4 4289 B12R1.51 O=C(CCO)CCN1CCCO1 1458a_200015187630_100000211926 [0,2,0,0,0,0|2,0,0]=4 4290 B12R1.51 O=C(CCO)NCC1CCCC1 240690a_100000737975_100011216618 [0,2,0,0,0,0|2,0,0]=4 4291 B12R1.51 O=C(CCO)NC[C@@H]1CCCO1 240690a_100020590478_100011216618 [0,2,0,0,0,0|1,0,0]=3 4292 B12R1.51 O=C(COC1CCCO1)NCO 34a_100000085407_100000185155 [0,2,0,0,0,0|2,0,0]=4 4293 B12R1.51 [13CH3]SCC(=O)NCC1CCCO1 62a_100000182893_200025704644 [0,2,0,0,0,0|1,0,0]=3 4294 B12R1.51 [13CH3]SCC(=O)NCC1CCCO1 62a_200025704644_100000182893 [0,2,0,0,0,0|1,0,0]=3 4295 B12R1.108 C/C=C(\C)/C(=O)CC1CCCO1 1458a_100020587367_100000203698 [0,2,0,0,0,0|2,0,0]=4 4296 B12R1.108 C=CC(=O)N(C)CC1CCCO1 1626a_100102946541_100000185746 [0,2,0,0,0,0|1,0,1]=4 4297 B12R1.108 C=CC(=O)N(C)CC1CCCO1 240690a_100102946541_200121576911 [0,2,0,0,0,0|1,0,1]=4 4298 B12R1.108 CCC(=O)N(C)CC1CCCO1 11a_100102946541_100000210414 [0,2,0,0,0,0|1,0,0]=3 4299 B12R1.108 CCC(=O)N(C)CC1CCCO1 1626a_100102946541_100000210414 [0,2,0,0,0,0|1,0,0]=3 4300 B12R1.108 CCC(=O)N(C)CC1CCCO1 240690a_100102946541_100000210414 [0,2,0,0,0,0|1,0,0]=3 4301 B12R1.108 CCC(=O)N(C)CC1CCCO1 527a_100102946541_100000210414 [0,2,0,0,0,0|1,0,0]=3 4302 B12R1.108 CCC(=O)N(C)CC1OCCO1 11a_200000032744_100000210414 [0,2,0,0,0,0|2,0,0]=4 4303 B12R1.108 CCC(=O)N(C)CC1OCCO1 1626a_200000032744_100000210414 [0,2,0,0,0,0|2,0,0]=4 4304 B12R1.108 CCC(=O)N(C)CC1OCCO1 527a_200000032744_100000210414 [0,2,0,0,0,0|2,0,0]=4 4305 B12R1.108 CN(CC1CCCO1)C(=O)CO 240690a_100102946541_100000210174 [0,2,0,0,0,0|1,0,0]=3 4306 B12R1.108 CN(CC1CCCO1)C(=O)CO 527a_100102946541_100000210174 [0,2,0,0,0,0|1,0,0]=3 4307 B12R1.108 CN(CC1OCCO1)C(=O)CO 527a_200000032744_100000210174 [0,2,0,0,0,0|2,0,0]=4 4308 B12R1.108 CNC(=O)C(=O)CC1CCCC1 1458a_100011218921_100000740388 [0,2,0,0,0,0|2,0,0]=4 4309 B12R1.108 CNC(=O)C(=O)CC1CCCO1 1458a_100011218921_100000203698 [0,2,0,0,0,0|1,0,0]=3 4310 B12R1.108 CNC(=O)C(=O)CC1OCCO1 1458a_100011218921_100000755774 [0,2,0,0,0,0|2,0,0]=4 4311 B12R1.108 CNC(=O)C(C)OC1CCCO1 34a_100000085407_100000731044 [0,2,0,0,0,0|2,0,0]=4 4312 B12R1.108 CNC(=O)C(F)OC1CCCO1 34a_100000085407_100009813575 [0,2,0,0,0,0|2,0,0]=4 4313 B12R1.108 CNC(=O)N(C)CC1CCCO1 2708a_100102657272_100102946541 [0,2,0,0,0,0|1,0,0]=3 4314 B12R1.108 CNC(=O)N(C)CC1CCCO1 273464a_100102657272_100102946541 [0,2,0,0,0,0|1,0,0]=3 4315 B12R1.108 CNC(=O)N(C)CC1OCCO1 2708a_100102657272_200000032744 [0,2,0,0,0,0|2,0,0]=4 4316 B12R1.108 CNC(=O)N(C)CC1OCCO1 273464a_100102657272_200000032744 [0,2,0,0,0,0|2,0,0]=4 4317 B12R1.108 COC(=O)C(C)OC1CCCO1 34a_100000085407_100000211248 [0,2,0,0,0,0|2,0,0]=4 4318 B12R1.196 C#CC(C)(C)OCC1CCCO1 34a_100000210270_100000038118 [0,2,0,0,0,0|1,0,1]=4 4319 B12R1.196 C#CC(C)(C)OCC1CCCO1 7a_100000189450_100000203698 [0,2,0,0,0,0|1,0,1]=4 4320 B12R1.196 C=CC(C)(C)OCC1CCCO1 7a_100011215311_100000203698 [0,2,0,0,0,0|1,0,1]=4 4321 B12R1.196 CC(C)(C#N)OCC1CCCO1 34a_100000210270_100011162410 [0,2,0,0,0,0|1,0,1]=4 4322 B12R1.196 CC(C)(C#N)OCC1CCCO1 7a_100000210270_100011162410 [0,2,0,0,0,0|1,0,1]=4 4323 B12R1.196 CC(C)(CCl)OCC1CCCO1 7a_100000764493_100000203698 [0,2,0,0,0,0|1,0,1]=4 4324 B12R1.196 CCC(C)(C)OCC1CCCO1 7a_100000210230_100000203698 [0,2,0,0,0,0|1,0,1]=4 4325 B12R1.196 CCC(C)(C)OCC1CCCO1 7a_100000210270_100000210677 [0,2,0,0,0,0|1,0,1]=4 4326 B12R1.196 CCS(=O)(=O)NC[C@@H]1CCCO1 270084a_100020590478_100000211323 [0,2,0,0,0,0|2,0,0]=4 4327 B12R1.196 CCS(=O)(=O)NC[C@@H]1CCCO1 274078a_100020590478_100000211323 [0,2,0,0,0,0|2,0,0]=4 4328 B12R1.196 CCS(=O)(=O)NC[C@@H]1CCCO1 40a_100020590478_100000053943 [0,2,0,0,0,0|2,0,0]=4 4329 B12R1.196 O=S(=O)(CCl)NC[C@@H]1CCCO1 270084a_100020590478_100000031410 [0,2,0,0,0,0|2,0,0]=4 4330 B12R1.196 O=S(=O)(CCl)NC[C@@H]1CCCO1 274078a_100020590478_100000031410 [0,2,0,0,0,0|2,0,0]=4 4331 B12R1.297 C#CC(CC)OCC1CCCO1 7a_100000758843_100000203698 [0,2,0,0,0,0|1,0,1]=4 4332 B12R1.297 C=CC(CC)OCC1CCCO1 7a_100000766422_100000203698 [0,2,0,0,0,0|1,0,1]=4 4333 B12R1.297 CCC(CC)OCC1CCCO1 7a_100000210270_100000210505 [0,2,0,0,0,0|1,0,1]=4 4334 B12R1.297 CCC(CC)OCC1CCCO1 7a_100000688536_100000203698 [0,2,0,0,0,0|1,0,1]=4 4335 B12R1.297 ClCC(CCl)OCC1CCCO1 7a_100000737055_100000203698 [0,2,0,0,0,0|1,0,1]=4 4336 B12R1.297 FCC(CF)OCC1CCCO1 7a_100000032261_100000203698 [0,2,0,0,0,0|1,0,1]=4 4337 B12R1.297 FC[C@@H](CCl)OCC1CCCO1 7a_100015614560_100000203698 [0,2,0,0,0,0|1,0,1]=4 4338 B12R1.297 O=CC(C=O)OCC1CCCO1 34a_100000210270_100000736813 [0,2,0,0,0,0|0,0,2]=4 4339 B12R1.353 CCC(=O)CCC1CCCN1C 1458a_100000210414_100000005710 [0,2,0,0,0,0|2,0,0]=4 4340 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000210414 [0,2,0,0,0,0|2,0,0]=4 4341 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000210414 [0,2,0,0,0,0|2,0,0]=4 4342 B12R1.353 CN1CCCC1CCC(=O)CO 1458a_100000210174_100000005710 [0,2,0,0,0,0|2,0,0]=4 4343 B12R1.353 CN1CCC[C@H]1CNC(=O)CO 240690a_100009821018_100000210174 [0,2,0,0,0,0|2,0,0]=4 4344 B12R1.353 CN1CCC[C@H]1CNC(=O)CO 527a_100009821018_100000210174 [0,2,0,0,0,0|2,0,0]=4 4345 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 2708a_100009821018_106832991635 [0,2,0,0,0,0|2,0,0]=4 4346 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 2708a_100102657272_100009821018 [0,2,0,0,0,0|2,0,0]=4 4347 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 273464a_100009821018_100102657272 [0,2,0,0,0,0|2,0,0]=4 4348 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 273464a_100102657272_100009821018 [0,2,0,0,0,0|2,0,0]=4 4349 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 512a_100009821018_100102657272 [0,2,0,0,0,0|2,0,0]=4 4350 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 512a_106832991638_100009821018 [0,2,0,0,0,0|2,0,0]=4 4351 B12R1.1677 CC1(OCCO1)CCC(=O)CO 1458a_100000210174_100000758764 [0,2,0,0,0,0|2,0,0]=4 4352 B12R1.1677 CC1(OCCO1)CNC(=O)CO 240690a_100000691740_100000210174 [0,2,0,0,0,0|2,0,0]=4 4353 B12R1.1677 CC1(OCCO1)CNC(=O)CO 527a_100000691740_100000210174 [0,2,0,0,0,0|2,0,0]=4 4354 B12R1.1677 CCC(=O)CCC1(OCCO1)C 1458a_100000210414_100000758764 [0,2,0,0,0,0|2,0,0]=4 4355 B12R1.1677 CCC(=O)NCC1(CCCC1)O 11a_100000737848_100000210414 [0,2,0,0,0,0|2,0,0]=4 4356 B12R1.1677 CCC(=O)NCC1(CCCC1)O 1626a_100000737848_100000210414 [0,2,0,0,0,0|2,0,0]=4 4357 B12R1.1677 CCC(=O)NCC1(CCCC1)O 240690a_100000737848_100000210414 [0,2,0,0,0,0|2,0,0]=4 4358 B12R1.1677 CCC(=O)NCC1(CCCC1)O 527a_100000737848_100000210414 [0,2,0,0,0,0|2,0,0]=4 4359 B12R1.1677 CCC(=O)NCC1(OCCO1)C 11a_100000691740_100000210414 [0,2,0,0,0,0|2,0,0]=4 4360 B12R1.1677 CCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000210414 [0,2,0,0,0,0|2,0,0]=4 4361 B12R1.1677 CCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000210414 [0,2,0,0,0,0|2,0,0]=4 4362 B12R1.1677 CCC(=O)NCC1(OCCO1)C 527a_100000691740_100000210414 [0,2,0,0,0,0|2,0,0]=4 4363 B12R1.1677 CNC(=O)NCC1(CCCC1)O 2708a_100000737848_106832991635 [0,2,0,0,0,0|2,0,0]=4 4364 B12R1.1677 CNC(=O)NCC1(CCCC1)O 2708a_100102657272_100000737848 [0,2,0,0,0,0|2,0,0]=4 4365 B12R1.1677 CNC(=O)NCC1(CCCC1)O 273464a_100102657272_100000737848 [0,2,0,0,0,0|2,0,0]=4 4366 B12R1.1677 CNC(=O)NCC1(CCCC1)O 512a_100000737848_100102657272 [0,2,0,0,0,0|2,0,0]=4 4367 B12R1.1677 CNC(=O)NCC1(CCCC1)O 512a_106832991638_100000737848 [0,2,0,0,0,0|2,0,0]=4 4368 B12R1.1677 CNC(=O)NCC1(OCCO1)C 2708a_100000691740_106832991635 [0,2,0,0,0,0|2,0,0]=4 4369 B12R1.1677 CNC(=O)NCC1(OCCO1)C 2708a_100102657272_100000691740 [0,2,0,0,0,0|2,0,0]=4 4370 B12R1.1677 CNC(=O)NCC1(OCCO1)C 273464a_100000691740_100102657272 [0,2,0,0,0,0|2,0,0]=4 4371 B12R1.1677 CNC(=O)NCC1(OCCO1)C 273464a_100102657272_100000691740 [0,2,0,0,0,0|2,0,0]=4 4372 B12R1.1677 CNC(=O)NCC1(OCCO1)C 512a_100000691740_100102657272 [0,2,0,0,0,0|2,0,0]=4 4373 B12R1.1677 CNC(=O)NCC1(OCCO1)C 512a_106832991638_100000691740 [0,2,0,0,0,0|2,0,0]=4 4374 B12R1.1677 O=C(CO)NCC1(CCCC1)O 240690a_100000737848_100000210174 [0,2,0,0,0,0|2,0,0]=4 4375 B12R1.1677 O=C(CO)NCC1(CCCC1)O 527a_100000737848_100000210174 [0,2,0,0,0,0|2,0,0]=4 4376 B12R1.120 CC(=O)C(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000179758 [0,2,0,0,0,0|1,0,1]=4 4377 B12R1.120 CC(=O)N(C)C(C)C1CCCC1 11a_106630658171_100015343762 [0,2,0,0,0,0|2,0,0]=4 4378 B12R1.120 CC(=O)N(C)C(C)C1CCCC1 1626a_106630658171_100015343762 [0,2,0,0,0,0|2,0,0]=4 4379 B12R1.120 CC(=O)N(C)C(C)C1CCCC1 240690a_106630658171_100015343762 [0,2,0,0,0,0|2,0,0]=4 4380 B12R1.120 CC(=O)N(C)C(C)C1CCCC1 527a_106630658171_100103153847 [0,2,0,0,0,0|2,0,0]=4 4381 B12R1.266 CN(CC1CCCO1)S(=O)(=O)C 40a_100102946541_100000738038 [0,2,0,0,0,0|2,0,0]=4 4382 B12R1.298 CCN(CC1CCCO1)C(=O)C 11a_100000186375_100015343762 [0,2,0,0,0,0|1,0,0]=3 4383 B12R1.298 CCN(CC1CCCO1)C(=O)C 1626a_100000186375_100015343762 [0,2,0,0,0,0|1,0,0]=3 4384 B12R1.298 CCN(CC1CCCO1)C(=O)C 240690a_100000186375_100015343762 [0,2,0,0,0,0|1,0,0]=3 4385 B12R1.298 CCN(CC1CCCO1)C(=O)C 527a_100000186375_100103153847 [0,2,0,0,0,0|1,0,0]=3 4386 B12R1.59 CC(=O)NC[C@@H]1CC[C@@H](C1)CO 240690a_206354213956_100015343762 [0,2,0,0,0,0|2,0,0]=4 4387 B12R1.59 CC(=O)OCC1CCN(C1)CF 269982a_100000118262_100015361967 [0,2,0,0,0,0|2,0,0]=4 4388 B12R1.59 CC(=O)OCN1CCC(C1)CO 269982a_100000748654_100000076356 [0,2,0,0,0,0|2,0,0]=4 4389 B12R1.59 CC(=O)OCN1CCC(C1)CO 34a_100000748654_100009813279 [0,2,0,0,0,0|2,0,0]=4 4390 B12R1.59 CCC1CCC(C1)CCC(=O)C 1458a_200009887184_200000210301 [0,2,0,0,0,0|2,0,0]=4 4391 B12R1.59 CCC1CCC(C1)CCC(=O)[13CH3] 1458a_200009887184_200025704644 [0,2,0,0,0,0|2,0,0]=4 4392 B12R1.59 CCN1CCC(C1)COC(=O)C 2230a_100000118262_100000210202 [0,2,0,0,0,0|2,0,0]=4 4393 B12R1.59 CCN1CCC(C1)COC(=O)C 269982a_100000118262_100000204670 [0,2,0,0,0,0|2,0,0]=4 4394 B12R1.59 CO[C@@H]1CCN(C1)COC(=O)C 269982a_100000766984_100000076356 [0,2,0,0,0,0|2,0,0]=4 4395 B12R1.103 CC(=O)OC(C)N1CCC(C1)O 269982a_100011215560_100009818208 [0,2,0,0,0,0|2,0,0]=4 4396 B12R1.103 CC(=O)OC(C)N1CC[C@@H](C1)F 269982a_100015203821_100009818208 [0,2,0,0,0,0|2,0,0]=4 4397 B12R1.103 CC(=O)OC(C)N1CC[C@H](C1)C 269982a_100016987628_100009818208 [0,2,0,0,0,0|2,0,0]=4 4398 B12R1.110 CC(=O)OCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000076356 [0,2,0,0,0,0|2,0,0]=4 4399 B12R1.110 CC(=O)OCN1C[C@H]([C@H](C1)F)F 269982a_100103146936_100000076356 [0,2,0,0,0,0|2,0,0]=4 4400 B12R1.110 CC(=O)OCN1C[C@H]([C@H](C1)F)F 34a_100103146936_100009813279 [0,2,0,0,0,0|2,0,0]=4 4401 B12R1.110 CC(=O)OCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000076356 [0,2,0,0,0,0|2,0,0]=4 4402 B12R1.110 CC(=O)OCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000076356 [0,2,0,0,0,0|2,0,0]=4 4403 B12R1.1806 CC(=O)NC[C@H]1COC(O1)(C)C 11a_100015982057_100015343762 [0,2,0,0,0,0|2,0,0]=4 4404 B12R1.1806 CC(=O)NC[C@H]1COC(O1)(C)C 1626a_100015982057_100015343762 [0,2,0,0,0,0|2,0,0]=4 4405 B12R1.1806 CC(=O)NC[C@H]1COC(O1)(C)C 240690a_100015982057_100015343762 [0,2,0,0,0,0|2,0,0]=4 4406 B12R1.1806 CC(=O)NC[C@H]1COC(O1)(C)C 527a_100015982057_100103153847 [0,2,0,0,0,0|2,0,0]=4 4407 B12R1.1806 CC(=O)OCN1CCC(C1)(C)C 269982a_100000764714_100000076356 [0,2,0,0,0,0|2,0,0]=4 4408 B12R1.1806 CC(=O)OCN1CCC(C1)(C)O 269982a_100000718628_100000076356 [0,2,0,0,0,0|2,0,0]=4 4409 B12R1.1806 CC(=O)OCN1CCC(C1)(F)F 269982a_100000697292_100000076356 [0,2,0,0,0,0|2,0,0]=4 4410 B12R1.1806 CC(=O)OCN1CCC(C1)(F)F 34a_100000697292_100009813279 [0,2,0,0,0,0|2,0,0]=4 4411 B12R1.144 CC(=O)OC(C)N1CCC[C@@H]1C 269982a_100020605311_100009818208 [0,2,0,0,0,0|2,0,0]=4 4412 B12R1.144 CC(=O)OC(C)N1CCC[C@H]1C 269982a_100015189458_100009818208 [0,2,0,0,0,0|2,0,0]=4 4413 B12R1.265 CC(NS(=O)(=O)C)C1CCCO1 40a_100025754208_100000738038 [0,2,0,0,0,0|2,0,0]=4 4414 B12R1.476 CC(=O)NC(C#N)C1CCCC1 11a_100000767069_100015343762 [0,2,0,0,0,0|2,0,0]=4 4415 B12R1.476 CC(=O)NC(C#N)C1CCCC1 1626a_100000767069_100015343762 [0,2,0,0,0,0|2,0,0]=4 4416 B12R1.476 CC(=O)NC(C#N)C1CCCC1 240690a_100000767069_100015343762 [0,2,0,0,0,0|2,0,0]=4 4417 B12R1.476 CC(=O)NC(C#N)C1CCCC1 527a_100000767069_100103153847 [0,2,0,0,0,0|2,0,0]=4 4418 B12R1.81 CC(=O)OCN1CCC[C@@H]1C#N 269982a_106645074975_100000076356 [0,2,0,0,0,0|2,0,0]=4 4419 B12R1.81 CC(=O)OCN1CCC[C@@H]1CO 269982a_100000745186_100000076356 [0,2,0,0,0,0|2,0,0]=4 4420 B12R1.81 CC(=O)OCN1CCC[C@@H]1CO 34a_100000745186_100009813279 [0,2,0,0,0,0|2,0,0]=4 4421 B12R1.81 CCC1CCCN1COC(=O)C 269982a_100000754278_100000076356 [0,2,0,0,0,0|2,0,0]=4 4422 B12R1.81 CCC1CCCN1COC(=O)C 34a_100000754278_100009813279 [0,2,0,0,0,0|2,0,0]=4 4423 B12R1.81 CCN1CCCC1CNC(=O)C 11a_100000211693_100015343762 [0,2,0,0,0,0|2,0,0]=4 4424 B12R1.81 CCN1CCCC1CNC(=O)C 1626a_100000211693_100015343762 [0,2,0,0,0,0|2,0,0]=4 4425 B12R1.81 CCN1CCCC1CNC(=O)C 240690a_100000211693_100015343762 [0,2,0,0,0,0|2,0,0]=4 4426 B12R1.81 CCN1CCCC1CNC(=O)C 527a_100000211693_100103153847 [0,2,0,0,0,0|2,0,0]=4 4427 B12R1.895 CC(=O)OCN1C(CCC1C)C 269982a_100000687148_100000076356 [0,2,0,0,0,0|2,0,0]=4 4428 B12R1.895 CC(=O)OCN1C(CCC1C)C 34a_100000687148_100009813279 [0,2,0,0,0,0|2,0,0]=4 4429 B12R1.924 CC(=O)OCN1CCCC1(C)C 269982a_100000761399_100000076356 [0,2,0,0,0,0|2,0,0]=4 4430 B12R1.924 CC(=O)OCN1CCCC1(C)C 34a_100000761399_100009813279 [0,2,0,0,0,0|2,0,0]=4 4431 B12R1.3845 CC(=O)NCC1(CCCC1)CO 240690a_100000699429_100015343762 [0,2,0,0,0,0|2,0,0]=4 4432 B12R1.3845 CC(=O)NCC1(CCCC1)CO 527a_100000699429_100103153847 [0,2,0,0,0,0|2,0,0]=4 4433 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,0,1,1,0,0|2,0,0]=4 4434 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,0,1,1,0,0|1,0,0]=3 4435 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,0,1,1,0,0|2,0,0]=4 4436 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,0,1,1,0,0|2,0,0]=4 4437 B10R1.10 O=C1CN(CCN1)CCO 2230a_100000184651_100000211926 [0,0,1,1,0,0|2,0,0]=4 4438 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,0,1,1,0,0|2,0,0]=4 4439 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,0,1,1,0,0|1,0,0]=3 4440 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,1,1,0,0|2,0,0]=4 4441 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,1,1,0,0|2,0,0]=4 4442 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,0,1,1,0,0|1,0,0]=3 4443 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,0,1,1,0,0|1,0,0]=3 4444 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,0,1,1,0,0|1,0,0]=3 4445 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,0,1,1,0,0|1,0,0]=3 4446 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,1,1,0,0|2,0,0]=4 4447 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,1,1,0,0|2,0,0]=4 4448 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,1,1,0,0|2,0,0]=4 4449 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,1,1,0,0|2,0,0]=4 4450 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,0,1,1,0,0|1,0,0]=3 4451 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,0,1,1,0,0|1,0,0]=3 4452 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,0,1,1,0,0|1,0,0]=3 4453 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,0,1,1,0,0|1,0,0]=3 4454 B10R1.18 CC(C)OC1CCCCO1 34a_100000033831_100000210206 [0,0,1,1,0,0|1,0,1]=4 4455 B10R1.18 CC(C)OC1CCCOC1 34a_100000212225_100000693364 [0,0,1,1,0,0|1,0,1]=4 4456 B10R1.18 CC(C)OC1CCCOC1 34a_100000754041_100000210206 [0,0,1,1,0,0|1,0,1]=4 4457 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,1,1,0,0|2,0,0]=4 4458 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,0,1,1,0,0|1,0,0]=3 4459 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,0,1,1,0,0|1,0,0]=3 4460 B10R1.24 C=C1CC(C1)COCCC 34a_100011011225_100000210303 [0,0,1,1,0,0|2,0,0]=4 4461 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,0,1,1,0,0|1,0,0]=3 4462 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,0,1,1,0,0|1,1,0]=4 4463 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,0,1,1,0,0|1,1,0]=4 4464 B10R1.24 CSCOCC1CC(=O)C1 34a_100000101936_100011218213 [0,0,1,1,0,0|2,0,0]=4 4465 B10R1.24 O=C1CC(C1)CNCCO 2230a_100016997473_100009874392 [0,0,1,1,0,0|2,0,0]=4 4466 B10R1.24 O=C1CC(C1)COCCF 34a_100000101936_100011217306 [0,0,1,1,0,0|2,0,0]=4 4467 B10R1.24 O=C1CC(C1)COCCO 34a_100000101936_100000211926 [0,0,1,1,0,0|2,0,0]=4 4468 B10R1.24 O=C1CC(C1)CSCCO 62a_100000211926_100009874392 [0,0,1,1,0,0|2,0,0]=4 4469 B10R1.24 O=C1CC(C1)CSCCO 62a_100009874392_100000211926 [0,0,1,1,0,0|2,0,0]=4 4470 B10R1.24 O=C1CC(C1)SCCCO 62a_100009894365_100011215043 [0,0,1,1,0,0|2,0,0]=4 4471 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [0,0,1,1,0,0|1,0,0]=3 4472 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [0,0,1,1,0,0|1,0,0]=3 4473 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,0,1,1,0,0|2,0,0]=4 4474 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,0,1,1,0,0|2,0,0]=4 4475 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,0,1,1,0,0|2,0,0]=4 4476 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,0,1,1,0,0|2,0,0]=4 4477 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,0,1,1,0,0|2,0,0]=4 4478 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,0,1,1,0,0|1,0,0]=3 4479 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,0,1,1,0,0|2,0,0]=4 4480 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,0,1,1,0,0|2,0,0]=4 4481 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,0,1,1,0,0|2,0,0]=4 4482 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,0,1,1,0,0|2,0,0]=4 4483 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [0,0,1,1,0,0|1,0,0]=3 4484 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [0,0,1,1,0,0|1,0,0]=3 4485 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [0,0,1,1,0,0|1,0,0]=3 4486 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,0,1,1,0,0|2,0,0]=4 4487 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,0,1,1,0,0|1,0,0]=3 4488 B10R1.73 CC(=O)OCN[C@@H]1C[C@H]1F 34a_100025746932_100009813279 [0,0,1,1,0,0|2,0,0]=4 4489 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,0,1,1,0,0|2,0,0]=4 4490 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,0,1,1,0,0|1,0,0]=3 4491 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,0,1,1,0,0|1,1,0]=4 4492 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [0,0,1,1,0,0|2,0,0]=4 4493 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [0,0,1,1,0,0|2,0,0]=4 4494 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [0,0,1,1,0,0|2,0,0]=4 4495 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [0,0,1,1,0,0|2,0,0]=4 4496 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [0,0,1,1,0,0|2,0,0]=4 4497 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [0,0,1,1,0,0|2,0,0]=4 4498 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [0,0,1,1,0,0|2,0,0]=4 4499 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [0,0,1,1,0,0|2,0,0]=4 4500 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [0,0,1,1,0,0|1,0,0]=3 4501 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [0,0,1,1,0,0|1,1,0]=4 4502 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [0,0,1,1,0,0|1,0,0]=3 4503 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [0,0,1,1,0,0|0,1,0]=3 4504 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [0,0,1,1,0,0|2,0,0]=4 4505 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [0,0,1,1,0,0|2,0,0]=4 4506 B10R1.126 CC(=O)OCOC[C@@H]1CO1 34a_100000757423_100009813279 [0,0,1,1,0,0|1,0,0]=3 4507 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [0,0,1,1,0,0|2,0,0]=4 4508 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [0,0,1,1,0,0|2,0,0]=4 4509 B10R1.126 CC(=O)OCSCC1CO1 62a_100000076356_102125554688 [0,0,1,1,0,0|1,0,0]=3 4510 B10R1.126 CC(=O)OCSCC1CO1 62a_102125554688_100000076356 [0,0,1,1,0,0|1,0,0]=3 4511 B10R1.126 CC(=O)OCSCC1CS1 62a_100000031435_100000076356 [0,0,1,1,0,0|1,1,0]=4 4512 B10R1.126 CC(=O)OCSCC1CS1 62a_100000076356_100000031435 [0,0,1,1,0,0|1,1,0]=4 4513 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000076356_100000745022 [0,0,1,1,0,0|1,0,0]=3 4514 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000076356 [0,0,1,1,0,0|1,0,0]=3 4515 B10R1.126 CC(C)OCCCC1CO1 34a_100000212225_100000733510 [0,0,1,1,0,0|1,0,1]=4 4516 B10R1.126 CC(C)OCCOC1CC1 34a_100000211219_100000211595 [0,0,1,1,0,0|1,0,1]=4 4517 B10R1.126 NC(=O)NCCOC1CC1 34a_100000181757_100000211595 [0,0,1,1,0,0|2,0,0]=4 4518 B10R1.126 NC(=O)OCCNC1CC1 34a_100000212008_200011214921 [0,0,1,1,0,0|2,0,0]=4 4519 B10R1.126 NC(=O)OCCSC1CC1 62a_200011214921_100000211595 [0,0,1,1,0,0|1,1,0]=4 4520 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,0,1,1,0,0|2,0,0]=4 4521 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,0,1,1,0,0|2,0,0]=4 4522 B10R1.127 CC(=O)NCCN1CCC1 240690a_100000691440_100015343762 [0,0,1,1,0,0|2,0,0]=4 4523 B10R1.127 CC(=O)NCCN1CCC1 269982a_100000754969_100000189650 [0,0,1,1,0,0|2,0,0]=4 4524 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [0,0,1,1,0,0|1,0,0]=3 4525 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [0,0,1,1,0,0|2,0,0]=4 4526 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [0,0,1,1,0,0|2,0,0]=4 4527 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [0,0,1,1,0,0|2,0,0]=4 4528 B10R1.127 NC(=O)OCCN1CCC1 269982a_100000754969_200011214921 [0,0,1,1,0,0|2,0,0]=4 4529 B10R1.177 CCCOCCOC1CC1 34a_100000752267_100000211595 [0,0,1,1,0,0|1,0,1]=4 4530 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,1,1,0,0|2,0,0]=4 4531 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,1,1,0,0|2,0,0]=4 4532 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,0,1,1,0,0|2,0,0]=4 4533 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,0,1,1,0,0|2,0,0]=4 4534 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,0,1,1,0,0|2,0,0]=4 4535 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,0,1,1,0,0|2,0,0]=4 4536 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,0,1,1,0,0|1,0,0]=3 4537 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,0,1,1,0,0|1,0,0]=3 4538 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,0,1,1,0,0|1,0,0]=3 4539 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,0,1,1,0,0|1,0,0]=3 4540 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,1,1,0,0|2,0,0]=4 4541 B10R1.375 CCCOCC1OC1(C)C 34a_200010283642_100000210303 [0,0,1,1,0,0|1,0,1]=4 4542 B10R1.375 CCCOCC1OC1(C)C 7a_200010283642_100000210303 [0,0,1,1,0,0|1,0,1]=4 4543 B10R1.31 CC(=O)N1CCC(C1)N[13CH3] 2230a_100000705975_200025704644 [0,0,1,1,0,0|2,0,0]=4 4544 B10R1.31 CC(=O)N1CC[C@@H](C1)O[13CH3] 7a_100012000934_200025704644 [0,0,1,1,0,0|1,0,0]=3 4545 B10R1.31 CNC1CCN(C1)C(=O)C 2230a_100000705975_200000210301 [0,0,1,1,0,0|2,0,0]=4 4546 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 11a_100000766984_100015343762 [0,0,1,1,0,0|1,0,0]=3 4547 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 1626a_100000766984_100015343762 [0,0,1,1,0,0|1,0,0]=3 4548 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 240690a_100000766984_100015343762 [0,0,1,1,0,0|1,0,0]=3 4549 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 527a_100000766984_100103153847 [0,0,1,1,0,0|1,0,0]=3 4550 B10R1.31 CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_200000210301 [0,0,1,1,0,0|1,0,0]=3 4551 B10R1.123 CCC(COC1CC1)OC 34a_100011934954_100000211595 [0,0,1,1,0,0|1,0,1]=4 4552 B10R1.241 CCC1(CO1)COC(C)C 34a_100000212225_200000139556 [0,0,1,1,0,0|1,0,1]=4 4553 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [0,0,1,1,0,0|2,0,0]=4 4554 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [0,0,1,1,0,0|2,0,0]=4 4555 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,0,1,1,0,0|1,0,0]=3 4556 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,0,1,1,0,0|1,0,0]=3 4557 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [0,0,1,1,0,0|1,0,0]=3 4558 B10R1.1 CCOC1CNC(=O)NC1 34a_100000080929_100000210202 [0,0,1,1,0,0|2,0,0]=4 4559 B10R1.1 O=C1CCC(CC1)OCF 34a_100000764474_100015361967 [0,0,1,1,0,0|2,0,0]=4 4560 B10R1.1 O=C1CCC(CC1)OCF 7a_100000764474_100015361967 [0,0,1,1,0,0|2,0,0]=4 4561 B10R1.1 O=C1CCC(CN1)OCF 34a_100000079199_100015361967 [0,0,1,1,0,0|2,0,0]=4 4562 B10R1.59 CC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_200000210301 [0,0,1,1,0,0|2,0,0]=4 4563 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100015191551_200025704644 [0,0,1,1,0,0|2,0,0]=4 4564 B10R1.93 CCNC1CN(C1)C(=O)C 2230a_100102955437_100000210202 [0,0,1,1,0,0|2,0,0]=4 4565 B10R1.93 CCOC1CN(C1)C(=O)C 11a_100000732654_100015343762 [0,0,1,1,0,0|1,0,0]=3 4566 B10R1.93 CCOC1CN(C1)C(=O)C 1626a_100000732654_100015343762 [0,0,1,1,0,0|1,0,0]=3 4567 B10R1.93 CCOC1CN(C1)C(=O)C 240690a_100000732654_100015343762 [0,0,1,1,0,0|1,0,0]=3 4568 B10R1.93 CCOC1CN(C1)C(=O)C 527a_100000732654_100103153847 [0,0,1,1,0,0|1,0,0]=3 4569 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,1,1,0,0|2,0,0]=4 4570 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,0,1,1,0,0|1,0,0]=3 4571 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [0,0,1,1,0,0|2,0,0]=4 4572 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [0,0,1,1,0,0|2,0,0]=4 4573 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [0,0,1,1,0,0|2,0,0]=4 4574 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [0,0,1,1,0,0|2,0,0]=4 4575 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,0,1,1,0,0|1,0,0]=3 4576 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,0,1,1,0,0|1,0,0]=3 4577 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,0,1,1,0,0|2,0,0]=4 4578 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,0,1,1,0,0|2,0,0]=4 4579 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,0,1,1,0,0|2,0,0]=4 4580 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [0,0,1,1,0,0|1,0,0]=3 4581 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [0,0,1,1,0,0|1,0,0]=3 4582 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [0,0,1,1,0,0|1,0,0]=3 4583 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [0,0,1,1,0,0|1,0,0]=3 4584 B10R1.113 CC(=O)N1CCOC(C1)O 11a_100000688207_100015343762 [0,0,1,1,0,0|2,0,0]=4 4585 B10R1.113 CC(=O)N1CCOC(C1)O 240690a_100000688207_100015343762 [0,0,1,1,0,0|2,0,0]=4 4586 B10R1.113 CC(=O)N1CCOC(C1)O 527a_100000688207_100103153847 [0,0,1,1,0,0|2,0,0]=4 4587 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,1,1,0,0|2,0,0]=4 4588 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,0,1,1,0,0|1,0,0]=3 4589 B10R1.211 CC(=O)NCC(O)C1CC1 11a_100000751198_100015343762 [0,0,1,1,0,0|1,0,0]=3 4590 B10R1.211 CC(=O)NCC(O)C1CC1 240690a_100000751198_100015343762 [0,0,1,1,0,0|1,0,0]=3 4591 B10R1.211 CC(=O)NCC(O)C1CC1 527a_100000751198_100103153847 [0,0,1,1,0,0|1,0,0]=3 4592 B10R1.211 CC(=O)OCN(C)C1CC1 269982a_100000226674_100000076356 [0,0,1,1,0,0|2,0,0]=4 4593 B10R2.99 CCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000210202 [1,0,0,1,0,0|1,0,1]=4 4594 B10R2.99 CCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000204670 [1,0,0,1,0,0|1,0,1]=4 4595 B10R2.99 CCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000210202 [1,0,0,1,0,0|1,0,1]=4 4596 B10R2.71 CN1CC2CCC(C1)O2 2230a_100015188616_200000210301 [0,0,0,1,1,0|2,0,0]=4 4597 B10R2.71 CN1CC2CCC(C1)O2 269982a_100015188616_200000210301 [0,0,0,1,1,0|2,0,0]=4 4598 B10R2.71 CN1CC2CCC(C1)O2 34a_100015188616_200000210301 [0,0,0,1,1,0|2,0,0]=4 4599 B10R2.71 [13CH3]N1CC2CCC(C1)O2 2230a_100015188616_200025704644 [0,0,0,1,1,0|2,0,0]=4 4600 B10R2.71 [13CH3]N1CC2CCC(C1)O2 269982a_100015188616_200025704644 [0,0,0,1,1,0|2,0,0]=4 4601 B10R2.71 [13CH3]N1CC2CCC(C1)O2 34a_100015188616_200025704644 [0,0,0,1,1,0|2,0,0]=4 4602 B10R2.351 CC(=O)C1C2C1COC2 1458a_100000138910_200000210301 [0,0,0,1,1,0|2,0,0]=4 4603 B10R2.351 [13CH3]C(=O)C1C2C1COC2 1458a_100000138910_200025704644 [0,0,0,1,1,0|2,0,0]=4 4604 B10R2.337 O=C1CC(C1)N2CCC2 269982a_100000754969_100009894365 [0,0,0,1,1,0|2,0,0]=4 4605 B10R2.411 C1CC(C1)COC2CC2 34a_100000760304_100000211595 [0,0,0,1,1,0|1,0,1]=4 4606 B10R2.411 C1CC(O1)COC2CC2 34a_100000039022_100000211595 [0,0,0,1,1,0|1,0,1]=4 4607 B10R2.638 CC(=O)C1CC12CCC2 1458a_100000687150_200000210301 [0,0,0,1,1,0|1,0,0]=3 4608 B10R2.638 [13CH3]C(=O)C1CC12CCC2 1458a_100000687150_200025704644 [0,0,0,1,1,0|1,0,0]=3 4609 B12R2.22 O=C1CC(C1)N2CCCOC2 269982a_100000131196_100009894365 [0,0,0,1,0,1|2,0,0]=4 4610 B12R2.250 CC(=O)C1CC12CCOCC2 1458a_100000766831_200000210301 [0,0,0,1,0,1|2,0,0]=4 4611 B12R2.250 [13CH3]C(=O)C1CC12CCOCC2 1458a_100000766831_200025704644 [0,0,0,1,0,1|2,0,0]=4 4612 B12R2.1381 CC(=O)OCN1CC2CC2C1 269982a_100000741873_100000076356 [0,0,0,1,0,1|2,0,0]=4 4613 B12R2.1381 CC(=O)OCN1CC2CC2C1 34a_100000741873_100009813279 [0,0,0,1,0,1|2,0,0]=4 4614 B12R2.1392 CC(=O)C1CC2CCN1CC2 1458a_100102578056_200000210301 [0,0,0,1,0,1|2,0,0]=4 4615 B12R2.1392 CC(=O)N1CC2CCC1CC2 11a_100000750499_100015343762 [0,0,0,1,0,1|2,0,0]=4 4616 B12R2.1392 CC(=O)N1CC2CCC1CC2 1626a_100000750499_100015343762 [0,0,0,1,0,1|2,0,0]=4 4617 B12R2.1392 CC(=O)N1CC2CCC1CC2 240690a_100000750499_100015343762 [0,0,0,1,0,1|2,0,0]=4 4618 B12R2.1392 CC(=O)N1CC2CCC1CC2 527a_100000750499_100103153847 [0,0,0,1,0,1|2,0,0]=4 4619 B12R2.1392 [13CH3]C(=O)C1CC2CCN1CC2 1458a_100102578056_200025704644 [0,0,0,1,0,1|2,0,0]=4 4620 B12R2.2057 C1CCC(OC1)COC2CC2 34a_100000211370_100000211595 [0,0,0,1,0,1|1,0,1]=4 4621 B12R2.2057 C1COCC(C1)COC2CC2 34a_100000741520_100000211595 [0,0,0,1,0,1|1,0,1]=4 4622 B12R2.2057 C1CO[C@@H](CN1)COC2CC2 34a_100015189573_100000211595 [0,0,0,1,0,1|1,0,1]=4 4623 B12R2.2057 C1CO[C@H](CO1)COC2CC2 34a_100009875890_100000211595 [0,0,0,1,0,1|1,0,1]=4 4624 B12R2.6 Cc1nc(no1)C2CCCO2 270196a_100011794354_100000070787 [0,0,0,1,0,1|1,0,1]=4 4625 B12R2.6 Cc1noc(n1)[C@@H]2CCCO2 270196a_100000212224_100000686382 [0,0,0,1,0,1|1,0,1]=4 4626 B12R2.6 O=C1CN(CN1)C2CCCC2 2230a_200000708111_100000179811 [0,0,0,1,0,1|2,0,0]=4 4627 B12R2.136 O=C1CC(C1)SC2CCCC2 62a_100009894365_100000179811 [0,0,0,1,0,1|2,0,0]=4 4628 B12R2.1661 C=C(C)CN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000748629 [0,0,0,1,0,1|2,0,0]=4 4629 B12R2.1661 C=C(C)CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000748629 [0,0,0,1,0,1|2,0,0]=4 4630 B12R2.1661 C=C(C)CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000748629 [0,0,0,1,0,1|2,0,0]=4 4631 B12R2.1661 CC(=O)CC1CC2CCC1C2 1458a_100000211222_200000210301 [0,0,0,1,0,1|2,0,0]=4 4632 B12R2.1661 CC(=O)NC1CC2CCC1C2 11a_100000758229_100015343762 [0,0,0,1,0,1|2,0,0]=4 4633 B12R2.1661 CC(=O)NC1CC2CCC1C2 1626a_100000758229_100015343762 [0,0,0,1,0,1|2,0,0]=4 4634 B12R2.1661 CC(=O)NC1CC2CCC1C2 240690a_100000758229_100015343762 [0,0,0,1,0,1|2,0,0]=4 4635 B12R2.1661 CC(=O)NC1CC2CCC1C2 527a_100000758229_100103153847 [0,0,0,1,0,1|2,0,0]=4 4636 B12R2.1661 NC(=O)CN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000747473 [0,0,0,1,0,1|2,0,0]=4 4637 B12R2.1661 NC(=O)CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000187820 [0,0,0,1,0,1|2,0,0]=4 4638 B12R2.1661 NC(=O)CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000187820 [0,0,0,1,0,1|2,0,0]=4 4639 B12R2.1661 O=C([O-])CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100020667443 [0,0,0,1,0,1|2,0,0]=4 4640 B12R2.1661 O=C([O-])CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100020667443 [0,0,0,1,0,1|2,0,0]=4 4641 B12R2.1661 [13CH3]C(=O)CC1CC2CCC1C2 1458a_100000211222_200025704644 [0,0,0,1,0,1|2,0,0]=4 4642 B12R2.2383 C1COC(C1)COCC2CC2 34a_100000210270_100000742324 [0,0,0,1,0,1|1,0,1]=4 4643 B12R2.2383 C1COC(C1)COCC2CC2 7a_100000210270_100000742324 [0,0,0,1,0,1|1,0,1]=4 4644 B12R2.2383 C1COC(C1)COCC2CO2 34a_100000210270_102125554688 [0,0,0,1,0,1|0,0,2]=4 4645 B12R2.2383 C1COC(C1)COCC2CO2 7a_100000210270_102125554688 [0,0,0,1,0,1|0,0,2]=4 4646 B12R2.2383 C1COC(C1)COCC2CS2 7a_100000210270_100000031435 [0,0,0,1,0,1|0,1,1]=4 4647 B12R2.2383 C1COC(C1)COC[C@@H]2CO2 7a_100000210270_100000745022 [0,0,0,1,0,1|0,0,2]=4 4648 B12R2.12 O=C1CCC1OC2CCCO2 34a_100000085407_100009892977 [0,1,0,1,0,0|2,0,0]=4 4649 B12R2.1596 C=CC(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100000185746 [0,1,0,1,0,0|1,0,1]=4 4650 B12R2.1596 C=CC(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_200121576911 [0,1,0,1,0,0|1,0,1]=4 4651 B12R2.1596 CCC(=O)C1CC2CCC1C2 1458a_100000181847_100000210202 [0,1,0,1,0,0|2,0,0]=4 4652 B12R2.1596 CCC(=O)C1CC2CCC1C2 1458a_100000210414_100000727232 [0,1,0,1,0,0|2,0,0]=4 4653 B12R2.1596 CCC(=O)N1CC2CCC1C2 11a_100000743476_100000210414 [0,1,0,1,0,0|2,0,0]=4 4654 B12R2.1596 CCC(=O)N1CC2CCC1C2 1626a_100000743476_100000210414 [0,1,0,1,0,0|2,0,0]=4 4655 B12R2.1596 CCC(=O)N1CC2CCC1C2 240690a_100000743476_100000210414 [0,1,0,1,0,0|2,0,0]=4 4656 B12R2.1596 CCC(=O)N1CC2CCC1C2 527a_100000743476_100000210414 [0,1,0,1,0,0|2,0,0]=4 4657 B12R2.1596 CCC(=O)N1C[C@H]2C[C@@H]1CO2 11a_100016995552_100000210414 [0,1,0,1,0,0|1,0,0]=3 4658 B12R2.1596 CCC(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100000210414 [0,1,0,1,0,0|1,0,0]=3 4659 B12R2.1596 CCC(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100000210414 [0,1,0,1,0,0|1,0,0]=3 4660 B12R2.1596 CCC(=O)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100000210414 [0,1,0,1,0,0|1,0,0]=3 4661 B12R2.1596 CNC(=O)C1CC2CCC1C2 11a_106832991635_100000181847 [0,1,0,1,0,0|2,0,0]=4 4662 B12R2.1596 CNC(=O)C1CC2CCC1C2 1626a_100102657272_100000181847 [0,1,0,1,0,0|2,0,0]=4 4663 B12R2.1596 CNC(=O)C1CC2CCC1C2 240690a_100102657272_100000181847 [0,1,0,1,0,0|2,0,0]=4 4664 B12R2.1596 CNC(=O)C1CC2CCC1C2 527a_100102657272_100000181847 [0,1,0,1,0,0|2,0,0]=4 4665 B12R2.1596 CNC(=O)N1CC2CCC1C2 2708a_100102657272_100000743476 [0,1,0,1,0,0|2,0,0]=4 4666 B12R2.1596 CNC(=O)N1CC2CCC1C2 273464a_100102657272_100000743476 [0,1,0,1,0,0|2,0,0]=4 4667 B12R2.1596 CNC(=O)N1C[C@H]2C[C@@H]1CO2 2708a_100102657272_100016995552 [0,1,0,1,0,0|1,0,0]=3 4668 B12R2.1596 CNC(=O)N1C[C@H]2C[C@@H]1CO2 273464a_100102657272_100016995552 [0,1,0,1,0,0|1,0,0]=3 4669 B12R2.1596 O=C(CF)C1CC2CCC1C2 1458a_100000181847_100015361967 [0,1,0,1,0,0|2,0,0]=4 4670 B12R2.1596 O=C(CO)C1CC2CCC1C2 1458a_100000210174_100000727232 [0,1,0,1,0,0|2,0,0]=4 4671 B12R2.1596 O=C(CO)N1CC2CCC1C2 240690a_100000743476_100000210174 [0,1,0,1,0,0|2,0,0]=4 4672 B12R2.1596 O=C(CO)N1CC2CCC1C2 527a_100000743476_100000210174 [0,1,0,1,0,0|2,0,0]=4 4673 B12R2.1596 O=C(CO)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100000210174 [0,1,0,1,0,0|1,0,0]=3 4674 B12R2.1596 O=C(CO)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100000210174 [0,1,0,1,0,0|1,0,0]=3 4675 B12R2.2056 C1CC(C1)OCC2CCCO2 34a_100000210270_100000749161 [0,1,0,1,0,0|1,0,1]=4 4676 B12R2.2056 C1COC(C1)COC2COC2 34a_100000210270_100009818527 [0,1,0,1,0,0|0,0,2]=4 4677 B12R2.2056 C1COC(C1)COC2COC2 7a_100000210270_100009818527 [0,1,0,1,0,0|0,0,2]=4 4678 B12R2.2056 C1COC(C1)COC2CSC2 7a_100000072292_100000203698 [0,1,0,1,0,0|0,1,1]=4 4679 B12R2.2399 CC1(CC1)OCC2CCCO2 7a_100011725673_100000203698 [0,1,0,1,0,0|1,0,1]=4 4680 B12R2.252 CC(=O)N1C[C@H]2CCC[C@H]2C1 1626a_100102946302_100015343762 [0,1,0,1,0,0|2,0,0]=4 4681 B12R2.252 CC(=O)N1C[C@H]2CCC[C@H]2C1 240690a_100102946302_100015343762 [0,1,0,1,0,0|2,0,0]=4 4682 B12R2.253 CC(=O)N1CC2CCC(C1)O2 11a_100015188616_100015343762 [0,1,0,1,0,0|1,0,0]=3 4683 B12R2.253 CC(=O)N1CC2CCC(C1)O2 1626a_100015188616_100015343762 [0,1,0,1,0,0|1,0,0]=3 4684 B12R2.253 CC(=O)N1CC2CCC(C1)O2 240690a_100015188616_100015343762 [0,1,0,1,0,0|1,0,0]=3 4685 B12R2.253 CC(=O)N1CC2CCC(C1)O2 527a_100015188616_100103153847 [0,1,0,1,0,0|1,0,0]=3 4686 B12R2.3188 CC(=O)C1CC2(C1)OCCO2 1458a_100000070787_100009907966 [0,1,0,1,0,0|2,0,0]=4 4687 B12R2.3188 CC(=O)C1CC2(C1)OCCO2 1458a_100000100527_200000210301 [0,1,0,1,0,0|2,0,0]=4 4688 B12R2.3188 [13CH3]C(=O)C1CC2(C1)OCCO2 1458a_100000100527_200025704644 [0,1,0,1,0,0|2,0,0]=4 4689 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200000210301 [0,1,0,1,0,0|1,0,1]=4 4690 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200000210301 [0,1,0,1,0,0|1,0,1]=4 4691 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200025704644 [0,1,0,1,0,0|1,0,1]=4 4692 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200025704644 [0,1,0,1,0,0|1,0,1]=4 4693 B12R2.1017 CC(=O)N1C[C@@H]2C[C@H]1CN2C 240690a_100025763010_100015343762 [0,1,0,1,0,0|2,0,0]=4 4694 B12R2.1017 CC(=O)N1C[C@@H]2C[C@H]1CN2C 527a_100025763010_100103153847 [0,1,0,1,0,0|2,0,0]=4 4695 B12R2.4359 CS(=O)(=O)N1C[C@H]2C[C@@H]1CO2 40a_100016995552_100000738038 [0,1,0,1,0,0|2,0,0]=4 4696 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,0,1,0,1,0|1,0,0]=3 4697 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,0,1,0,1,0|2,0,0]=4 4698 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,0,1,0,1,0|2,0,0]=4 4699 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,0,1,0,1,0|2,0,0]=4 4700 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,0,1,0,1,0|2,0,0]=4 4701 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,0,1,0,1,0|2,0,0]=4 4702 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,0,1,0,1,0|2,0,0]=4 4703 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,0,1,0,1,0|2,0,0]=4 4704 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,0,1,0,1,0|2,0,0]=4 4705 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,0,1,0,1,0|1,0,0]=3 4706 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,0,1,0,1,0|1,0,0]=3 4707 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,0,1,0,1,0|1,0,0]=3 4708 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,0,1,0,1,0|1,0,1]=4 4709 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,0,1,0,1,0|1,0,1]=4 4710 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,0,1,0,1,0|1,1,0]=4 4711 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,0,1,0,1,0|1,1,0]=4 4712 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,1,0,1,0|0,0,2]=4 4713 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,0,1,0,1,0|1,0,0]=3 4714 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,0,1,0,1,0|1,0,0]=3 4715 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,0,1,0,1,0|1,0,0]=3 4716 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,0,1,0,1,0|2,0,0]=4 4717 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,0,1,0,1,0|2,0,0]=4 4718 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,0,1,0,1,0|2,0,0]=4 4719 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,0,1,0,1,0|2,0,0]=4 4720 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,0,1,0,1,0|1,0,1]=4 4721 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,0,1,0,1,0|1,0,1]=4 4722 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,0,1,0,1,0|1,0,1]=4 4723 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,0,1,0,1,0|1,0,1]=4 4724 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,0,1,0,1,0|1,0,1]=4 4725 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,0,1,0,1,0|1,0,1]=4 4726 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,0,1,0,1,0|1,0,1]=4 4727 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,0,1,0,1,0|1,0,1]=4 4728 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,0,1,0,1,0|1,0,1]=4 4729 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,0,1,0,1,0|0,1,0]=3 4730 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,0,1,0,1,0|0,1,0]=3 4731 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,0,1,0,1,0|0,1,0]=3 4732 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,0,1,0,1,0|0,1,0]=3 4733 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,0,1,0,1,0|2,0,0]=4 4734 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,0,1,0,1,0|2,0,0]=4 4735 B8R1.10 C/C=C/CN1CCC1 269982a_100000754969_100102629194 [1,0,0,0,1,0|2,0,0]=4 4736 B8R1.10 CC=NNC1CCC1 4a_100000736358_200000210099 [1,0,0,0,1,0|2,0,0]=4 4737 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [1,0,0,0,1,0|1,0,1]=4 4738 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [1,0,0,0,1,0|1,0,1]=4 4739 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [1,0,0,0,1,0|1,0,1]=4 4740 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [1,0,0,0,1,0|1,0,1]=4 4741 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [1,0,0,0,1,0|1,0,1]=4 4742 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [1,0,0,0,1,0|1,0,1]=4 4743 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [1,0,0,0,1,0|1,0,1]=4 4744 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [1,0,0,0,1,0|0,0,1]=3 4745 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [1,0,0,0,1,0|0,0,1]=3 4746 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [1,0,0,0,1,0|0,0,1]=3 4747 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [1,0,0,0,1,0|0,0,1]=3 4748 B8R1.10 CCOCC1CNC1 34a_100016987283_100000210202 [1,0,0,0,1,0|1,0,1]=4 4749 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [1,0,0,0,1,0|1,0,1]=4 4750 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [1,0,0,0,1,0|1,0,1]=4 4751 B8R1.10 CCOCN1CCC1 269982a_100000754969_100000739092 [1,0,0,0,1,0|1,0,1]=4 4752 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [1,0,0,0,1,0|0,1,1]=4 4753 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [1,0,0,0,1,0|0,1,1]=4 4754 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [1,0,0,0,1,0|0,1,1]=4 4755 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [1,0,0,0,1,0|0,1,1]=4 4756 B8R1.10 FCOCC1CCC1 34a_100000760304_100015361967 [1,0,0,0,1,0|1,0,1]=4 4757 B8R1.10 FCOCC1CCO1 34a_100000039022_100015361967 [1,0,0,0,1,0|1,0,1]=4 4758 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [1,0,0,0,1,0|2,0,0]=4 4759 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [1,0,0,0,1,0|2,0,0]=4 4760 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [1,0,0,0,1,0|2,0,0]=4 4761 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [1,0,0,0,1,0|2,0,0]=4 4762 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,2,0|1,0,1]=4 4763 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,0,2,0|1,0,0]=3 4764 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,0,2,0|1,0,0]=3 4765 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,0,2,0|0,1,0]=3 4766 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,0,0,2,0|2,0,0]=4 4767 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,0,0,2,0|2,0,0]=4 4768 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,0,2,0|2,0,0]=4 4769 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,0,2,0|2,0,0]=4 4770 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,0,2,0|0,0,0]=2 4771 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,2,0|1,0,1]=4 4772 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,0,2,0|1,0,0]=3 4773 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,0,2,0|0,1,0]=3 4774 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,0,0,2,0|2,0,0]=4 4775 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,0,2,0|0,0,0]=2 4776 B8R1.34 C=C(C)CN1CCC1 269982a_100000754969_100000748629 [0,0,0,0,2,0|2,0,0]=4 4777 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,0,0,0,2,0|0,0,2]=4 4778 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,0,0,0,2,0|0,0,0]=2 4779 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,0,0,0,2,0|0,0,0]=2 4780 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,0,0,0,2,0|0,0,0]=2 4781 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,0,0,0,2,0|1,0,0]=3 4782 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,0,0,0,2,0|1,0,0]=3 4783 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,0,0,0,2,0|1,0,0]=3 4784 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,0,0,0,2,0|1,0,0]=3 4785 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,0,0,0,2,0|1,0,0]=3 4786 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,0,0,0,2,0|1,0,0]=3 4787 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [0,0,0,0,2,0|2,0,0]=4 4788 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [0,0,0,0,2,0|2,0,0]=4 4789 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [0,0,0,0,2,0|2,0,0]=4 4790 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [0,0,0,0,2,0|2,0,0]=4 4791 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [0,0,0,0,2,0|2,0,0]=4 4792 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [0,0,0,0,2,0|2,0,0]=4 4793 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [0,0,0,0,2,0|2,0,0]=4 4794 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [0,0,0,0,2,0|2,0,0]=4 4795 B8R1.34 CC(C)OC1CCC1 34a_100000212225_100000749161 [0,0,0,0,2,0|1,0,1]=4 4796 B8R1.34 CC(C)OC1CCC1 34a_100000748187_100000210206 [0,0,0,0,2,0|1,0,1]=4 4797 B8R1.34 CN(C)CC1CCC1 2230a_100102631434_100000763275 [0,0,0,0,2,0|2,0,0]=4 4798 B8R1.34 CN(C)CC1CCC1 2230a_200000750244_200000210301 [0,0,0,0,2,0|2,0,0]=4 4799 B8R1.34 CN(C)CC1CCC1 269982a_100102631434_100000763275 [0,0,0,0,2,0|2,0,0]=4 4800 B8R1.34 CN(C)CC1CCC1 269982a_200000750244_200000210301 [0,0,0,0,2,0|2,0,0]=4 4801 B8R1.34 CN(C)CC1CCC1 34a_200000750244_200000210301 [0,0,0,0,2,0|2,0,0]=4 4802 B8R1.34 CN(C)CC1CCO1 2230a_100102631434_100000103362 [0,0,0,0,2,0|2,0,0]=4 4803 B8R1.34 CN(C)CC1CCO1 269982a_100102631434_100000103362 [0,0,0,0,2,0|2,0,0]=4 4804 B8R1.34 CN([13CH3])CC1CCC1 2230a_200000750244_200025704644 [0,0,0,0,2,0|2,0,0]=4 4805 B8R1.34 CN([13CH3])CC1CCC1 269982a_200000750244_200025704644 [0,0,0,0,2,0|2,0,0]=4 4806 B8R1.34 CN([13CH3])CC1CCC1 34a_200000750244_200025704644 [0,0,0,0,2,0|2,0,0]=4 4807 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,0,0,0,2,0|2,0,0]=4 4808 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,0,0,0,2,0|2,0,0]=4 4809 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,0,0,0,2,0|0,0,2]=4 4810 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,0,0,0,2,0|0,0,0]=2 4811 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,0,0,0,2,0|1,0,0]=3 4812 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,0,0,2,0|1,0,1]=4 4813 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,0,0,2,0|1,0,0]=3 4814 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,0,0,2,0|1,0,0]=3 4815 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,0,0,0,2,0|1,0,0]=3 4816 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,0,0,2,0|2,0,0]=4 4817 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,0,0,0,2,0|1,0,0]=3 4818 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,0,0,0,2,0|1,0,0]=3 4819 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,0,0,0,2,0|1,0,0]=3 4820 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,0,0,0,2,0|1,0,0]=3 4821 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [0,0,0,0,2,0|2,0,0]=4 4822 B8R1.35 CC(C)OCC1CC1 34a_100000211283_100000210206 [0,0,0,0,2,0|1,0,1]=4 4823 B8R1.35 CC(C)OCC1CC1 34a_100000212225_100000742324 [0,0,0,0,2,0|1,0,1]=4 4824 B8R1.35 CC(C)OCC1CO1 34a_100000212225_102125554688 [0,0,0,0,2,0|1,0,1]=4 4825 B8R1.35 CC(C)OC[C@@H]1CO1 34a_100000757423_100000210206 [0,0,0,0,2,0|1,0,1]=4 4826 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,0,0,2,0|1,0,1]=4 4827 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,0,0,2,0|1,0,0]=3 4828 B10R0.77 C#CC(CC)OCOC(=O)C 34a_100000758843_100009813279 [0,0,1,0,0,1|1,0,1]=4 4829 B10R0.77 C=C(C)COCC(CC)CC 34a_100000210245_100011215472 [0,0,1,0,0,1|2,0,0]=4 4830 B10R0.77 C=C(C)COCC(CC)CC 7a_100000703878_100000748629 [0,0,1,0,0,1|2,0,0]=4 4831 B10R0.77 C=C(C)COCC(CC)OC 34a_100011934954_100000748629 [0,0,1,0,0,1|1,0,0]=3 4832 B10R0.77 C=C(C)COCC(CC)OC 7a_100011934954_100000748629 [0,0,1,0,0,1|1,0,0]=3 4833 B10R0.77 C=C(C)COCC(OC)OC 34a_100000210245_100000211822 [0,0,1,0,0,1|2,0,0]=4 4834 B10R0.77 C=C(C)COCC(OC)OC 34a_100011216393_100000748629 [0,0,1,0,0,1|2,0,0]=4 4835 B10R0.77 C=C(F)COCC(CC)OC 34a_100011934954_100009893438 [0,0,1,0,0,1|1,0,1]=4 4836 B10R0.77 C=C(F)COCC(CC)OC 7a_100011934954_100000042424 [0,0,1,0,0,1|1,0,1]=4 4837 B10R0.77 C=CC(CC)OCOC(=O)C 34a_100000766422_100009813279 [0,0,1,0,0,1|1,0,1]=4 4838 B10R0.77 CCC(CC)COCC(=O)C 34a_100000211253_100011215472 [0,0,1,0,0,1|1,0,0]=3 4839 B10R0.77 CCC(CC)COCC(=O)N 7a_100000703878_100000187820 [0,0,1,0,0,1|2,0,0]=4 4840 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000688536_100000053229 [0,0,1,0,0,1|2,0,0]=4 4841 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000759926_100000210505 [0,0,1,0,0,1|2,0,0]=4 4842 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000053229_100000210505 [0,0,1,0,0,1|2,0,0]=4 4843 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000210505_100000053229 [0,0,1,0,0,1|2,0,0]=4 4844 B10R0.77 CCC(CC)SCOC(=O)C 62a_100000076356_100000210505 [0,0,1,0,0,1|1,0,0]=3 4845 B10R0.77 CCC(CC)SCOC(=O)C 62a_100000210505_100000076356 [0,0,1,0,0,1|1,0,0]=3 4846 B10R0.77 CCC(COCC(=O)N)OC 34a_100011934954_100000187820 [0,0,1,0,0,1|1,0,0]=3 4847 B10R0.77 CCC(COCC(=O)N)OC 7a_100011934954_100000187820 [0,0,1,0,0,1|1,0,0]=3 4848 B10R0.77 CCC(COCC(=O)[O-])OC 34a_100011934954_100020667443 [0,0,1,0,0,1|1,0,0]=3 4849 B10R0.77 CCC(COCC(C)C)OC 34a_100011934954_100000210624 [0,0,1,0,0,1|1,0,1]=4 4850 B10R0.77 CCC(COCC(C)C)OC 7a_100011934954_100000210760 [0,0,1,0,0,1|1,0,1]=4 4851 B10R0.77 CCC(COCC(C)O)OC 34a_100011934954_100011218427 [0,0,1,0,0,1|0,0,2]=4 4852 B10R0.77 CCC(COCC(C)O)OC 7a_100011934954_100011218427 [0,0,1,0,0,1|0,0,2]=4 4853 B10R0.77 CCC(COC[C@@H](C)O)OC 34a_100011934954_100009817552 [0,0,1,0,0,1|0,0,2]=4 4854 B10R0.77 CCC(COC[C@@H](C)O)OC 7a_100011934954_100009817552 [0,0,1,0,0,1|0,0,2]=4 4855 B10R0.77 CCC(COC[N+](=O)[O-])OC 34a_100011934954_100000761209 [0,0,1,0,0,1|2,0,0]=4 4856 B10R0.77 CCN(CC)CCOC(=O)C 269956a_100000042499_100009814007 [0,0,1,0,0,1|2,0,0]=4 4857 B10R0.77 CCN(CC)CCOC(=O)C 269982a_100000724800_100009814007 [0,0,1,0,0,1|2,0,0]=4 4858 B10R0.77 COC(CCCC(=O)C)OC 1458a_100000070787_100000069011 [0,0,1,0,0,1|2,0,0]=4 4859 B10R0.77 COC(COCC(=O)C)OC 34a_100000211253_100000211822 [0,0,1,0,0,1|1,0,0]=3 4860 B10R0.77 COC(COCC(=O)N)OC 34a_100011216393_100000187820 [0,0,1,0,0,1|2,0,0]=4 4861 B10R0.77 COC(COCC(=O)[O-])OC 34a_100011216393_100020667443 [0,0,1,0,0,1|2,0,0]=4 4862 B10R1.17 C/C=C/CN1CCCOC1 269982a_100000131196_100102629194 [1,0,0,0,0,1|2,0,0]=4 4863 B10R1.17 C/C=C/CN1CCCOC1 34a_100000131196_100102629194 [1,0,0,0,0,1|2,0,0]=4 4864 B10R1.17 CC=CCN1CCCOC1 2230a_100000131196_100000070051 [1,0,0,0,0,1|2,0,0]=4 4865 B10R1.17 CC=CCN1CCCOC1 34a_100000131196_100000070051 [1,0,0,0,0,1|2,0,0]=4 4866 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [1,0,0,0,0,1|1,0,1]=4 4867 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [1,0,0,0,0,1|1,0,1]=4 4868 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [1,0,0,0,0,1|1,0,1]=4 4869 B10R1.17 CCNCC1CCCOC1 2230a_100000720124_100000210202 [1,0,0,0,0,1|1,0,1]=4 4870 B10R1.17 CCNCC1CCCOC1 2230a_100015525214_100000741521 [1,0,0,0,0,1|1,0,1]=4 4871 B10R1.17 CCNCC1CCCOC1 34a_100000720124_100000210202 [1,0,0,0,0,1|1,0,1]=4 4872 B10R1.17 CCNC[C@H]1COCCO1 2230a_100010981119_100000210202 [1,0,0,0,0,1|1,0,1]=4 4873 B10R1.17 CCNC[C@H]1COCCO1 34a_100010981119_100000210202 [1,0,0,0,0,1|1,0,1]=4 4874 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [1,0,0,0,0,1|0,0,2]=4 4875 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [1,0,0,0,0,1|1,0,1]=4 4876 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [1,0,0,0,0,1|1,0,1]=4 4877 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [1,0,0,0,0,1|1,0,1]=4 4878 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [1,0,0,0,0,1|1,0,1]=4 4879 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [1,0,0,0,0,1|0,0,1]=3 4880 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [1,0,0,0,0,1|0,0,1]=3 4881 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [1,0,0,0,0,1|0,0,1]=3 4882 B10R1.17 CCOCC1CCCNC1 34a_100000211344_100000210202 [1,0,0,0,0,1|1,0,1]=4 4883 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [1,0,0,0,0,1|0,0,1]=3 4884 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [1,0,0,0,0,1|0,0,1]=3 4885 B10R1.17 CCOCC1CCNCC1 34a_100000738675_100000210202 [1,0,0,0,0,1|1,0,1]=4 4886 B10R1.17 CCOCC1CCOCC1 34a_100000749013_100000210202 [1,0,0,0,0,1|1,0,1]=4 4887 B10R1.17 CCOCC1CCOCC1 34a_100121572206_100000754603 [1,0,0,0,0,1|1,0,1]=4 4888 B10R1.17 CCOCC1CCSCC1 34a_100000070558_100000210202 [1,0,0,0,0,1|1,0,1]=4 4889 B10R1.17 CCOCC1CCSCC1 7a_100000070558_100000210202 [1,0,0,0,0,1|1,0,1]=4 4890 B10R1.17 CCOCN1CCCOC1 269982a_100000131196_100000739092 [1,0,0,0,0,1|1,0,1]=4 4891 B10R1.17 CCOC[C@@H]1CNCCO1 34a_100015189573_100000210202 [1,0,0,0,0,1|0,0,1]=3 4892 B10R1.17 CCOC[C@@H]1COCCN1 34a_100000717676_100000210202 [1,0,0,0,0,1|1,0,1]=4 4893 B10R1.17 CCOC[C@H]1COCCO1 34a_100009875890_100000210202 [1,0,0,0,0,1|0,0,1]=3 4894 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [1,0,0,0,0,1|0,1,1]=4 4895 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [1,0,0,0,0,1|0,1,1]=4 4896 B10R1.17 CCSCC1CCCOC1 62a_100000210202_100000741521 [1,0,0,0,0,1|0,1,1]=4 4897 B10R1.17 CCSCC1CCCOC1 62a_100000741521_100000210202 [1,0,0,0,0,1|0,1,1]=4 4898 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [1,0,0,0,0,1|2,0,0]=4 4899 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [1,0,0,0,0,1|2,0,0]=4 4900 B10R1.17 CNCCC1OCCCO1 2230a_106832991635_100000764188 [1,0,0,0,0,1|2,0,0]=4 4901 B10R1.17 CNCCC1OCCCO1 34a_100102657272_100000764188 [1,0,0,0,0,1|2,0,0]=4 4902 B10R1.17 CNCCC1OCCCO1 7a_106832991635_100000764188 [1,0,0,0,0,1|2,0,0]=4 4903 B10R1.17 COCCC1OCCCO1 34a_100138415774_100000764188 [1,0,0,0,0,1|2,0,0]=4 4904 B10R1.17 CSCCC1OCCCO1 62a_100000764188_200000210301 [1,0,0,0,0,1|2,0,0]=4 4905 B10R1.17 CSCCC1OCCCO1 62a_200000210301_100000764188 [1,0,0,0,0,1|2,0,0]=4 4906 B10R1.17 FCOCC1CCCCO1 34a_100000211370_100015361967 [1,0,0,0,0,1|1,0,1]=4 4907 B10R1.17 FCOCC1CCCCO1 7a_100000211370_100015361967 [1,0,0,0,0,1|1,0,1]=4 4908 B10R1.17 FCOCC1CCCOC1 34a_100000741520_100015361967 [1,0,0,0,0,1|1,0,1]=4 4909 B10R1.17 FCOC[C@@H]1CNCCO1 34a_100015189573_100015361967 [1,0,0,0,0,1|1,0,1]=4 4910 B10R1.17 FCOC[C@H]1COCCO1 34a_100009875890_100015361967 [1,0,0,0,0,1|1,0,1]=4 4911 B10R1.17 O=CCNC1CCCOC1 2230a_100000719290_200015260668 [1,0,0,0,0,1|2,0,0]=4 4912 B10R1.17 O=CCNC1CCCOC1 34a_100000719290_200009817547 [1,0,0,0,0,1|2,0,0]=4 4913 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [1,0,0,0,0,1|2,0,0]=4 4914 B10R1.17 O=CCOC1CCCOC1 34a_100000754041_200009817547 [1,0,0,0,0,1|2,0,0]=4 4915 B10R1.17 O=CCSC1CCCOC1 62a_200015260668_100000693364 [1,0,0,0,0,1|2,0,0]=4 4916 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [1,0,0,0,0,1|2,0,0]=4 4917 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [1,0,0,0,0,1|2,0,0]=4 4918 B10R1.17 [13CH3]SCCC1OCCCO1 62a_100000764188_200025704644 [1,0,0,0,0,1|2,0,0]=4 4919 B10R1.17 [13CH3]SCCC1OCCCO1 62a_200025704644_100000764188 [1,0,0,0,0,1|2,0,0]=4 4920 B12R1.252 C=C(C)CCNC1CCCOC1 2230a_100000719290_100000730704 [0,0,0,0,0,2|2,0,0]=4 4921 B12R1.252 C=C(C)CCNC1CCCOC1 34a_100000719290_100000730704 [0,0,0,0,0,2|2,0,0]=4 4922 B12R1.252 C=C(C)CCOC1CCCCO1 34a_100000033831_100000730704 [0,0,0,0,0,2|2,0,0]=4 4923 B12R1.252 C=C(C)CCOC1CCCOC1 34a_100000754041_100000730704 [0,0,0,0,0,2|2,0,0]=4 4924 B12R1.252 C=C(C)CCOC1CCCOC1 34a_100000764851_100000693364 [0,0,0,0,0,2|2,0,0]=4 4925 B12R1.252 C=C(C)CCSC1CCCOC1 62a_100000730704_100000693364 [0,0,0,0,0,2|2,0,0]=4 4926 B12R1.252 C=C(C)CNCC1CCCCO1 2230a_100000174945_100000748629 [0,0,0,0,0,2|2,0,0]=4 4927 B12R1.252 C=C(C)CNCC1CCCCO1 34a_100000174945_100000748629 [0,0,0,0,0,2|2,0,0]=4 4928 B12R1.252 C=C(C)CNCC1CCCOC1 2230a_100000720124_100000748629 [0,0,0,0,0,2|2,0,0]=4 4929 B12R1.252 C=C(C)CNCC1CCCOC1 34a_100000720124_100000748629 [0,0,0,0,0,2|2,0,0]=4 4930 B12R1.252 C=C(C)CNC[C@H]1COCCO1 2230a_100010981119_100000748629 [0,0,0,0,0,2|2,0,0]=4 4931 B12R1.252 C=C(C)CNC[C@H]1COCCO1 34a_100010981119_100000748629 [0,0,0,0,0,2|2,0,0]=4 4932 B12R1.252 C=C(C)COCC1CCC=CO1 34a_100011217868_100000748629 [0,0,0,0,0,2|1,0,1]=4 4933 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000210245_100000211423 [0,0,0,0,0,2|2,0,0]=4 4934 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000212181_100000748629 [0,0,0,0,0,2|2,0,0]=4 4935 B12R1.252 C=C(C)COCC1CCCCC1 7a_100000212181_100000748629 [0,0,0,0,0,2|2,0,0]=4 4936 B12R1.252 C=C(C)COCC1CCCCN1 34a_100000210821_100000748629 [0,0,0,0,0,2|2,0,0]=4 4937 B12R1.252 C=C(C)COCC1CCCCO1 34a_100000210245_100000211543 [0,0,0,0,0,2|1,0,0]=3 4938 B12R1.252 C=C(C)COCC1CCCCO1 34a_100000211370_100000748629 [0,0,0,0,0,2|1,0,0]=3 4939 B12R1.252 C=C(C)COCC1CCCCO1 7a_100000211370_100000748629 [0,0,0,0,0,2|1,0,0]=3 4940 B12R1.252 C=C(C)COCC1CCCNC1 34a_100000211344_100000748629 [0,0,0,0,0,2|2,0,0]=4 4941 B12R1.252 C=C(C)COCC1CCCOC1 34a_100000210245_100000741521 [0,0,0,0,0,2|1,0,0]=3 4942 B12R1.252 C=C(C)COCC1CCCOC1 34a_100000741520_100000748629 [0,0,0,0,0,2|1,0,0]=3 4943 B12R1.252 C=C(C)COCC1CCNCC1 34a_100000738675_100000748629 [0,0,0,0,0,2|2,0,0]=4 4944 B12R1.252 C=C(C)COCC1CCOCC1 34a_100000210245_100000754603 [0,0,0,0,0,2|2,0,0]=4 4945 B12R1.252 C=C(C)COCC1CCOCC1 34a_100000749013_100000748629 [0,0,0,0,0,2|2,0,0]=4 4946 B12R1.252 C=C(C)COCC1CCSCC1 34a_100000070558_100000748629 [0,0,0,0,0,2|2,0,0]=4 4947 B12R1.252 C=C(C)COCC1CCSCC1 7a_100000070558_100000748629 [0,0,0,0,0,2|2,0,0]=4 4948 B12R1.252 C=C(C)COC[C@@H]1CNCCO1 34a_100015189573_100000748629 [0,0,0,0,0,2|1,0,0]=3 4949 B12R1.252 C=C(C)COC[C@@H]1COCCN1 34a_100000717676_100000748629 [0,0,0,0,0,2|2,0,0]=4 4950 B12R1.252 C=C(C)COC[C@H]1COCCO1 34a_100009875890_100000748629 [0,0,0,0,0,2|1,0,0]=3 4951 B12R1.252 C=C(C)CSCC1CCCCO1 62a_100000211543_100000211660 [0,0,0,0,0,2|1,1,0]=4 4952 B12R1.252 C=C(C)CSCC1CCCCO1 62a_100000748629_100000211543 [0,0,0,0,0,2|1,1,0]=4 4953 B12R1.252 C=C(C)CSCC1CCCOC1 62a_100000741521_100000211660 [0,0,0,0,0,2|1,1,0]=4 4954 B12R1.252 C=C(C)CSCC1CCCOC1 62a_100000748629_100000741521 [0,0,0,0,0,2|1,1,0]=4 4955 B12R1.252 C=C(F)COCC1CCCCO1 34a_100000211370_100009893438 [0,0,0,0,0,2|1,0,1]=4 4956 B12R1.252 C=C(F)COCC1CCCCO1 34a_200010262243_100000211543 [0,0,0,0,0,2|1,0,1]=4 4957 B12R1.252 C=C(F)COCC1CCCCO1 7a_100000211370_100000042424 [0,0,0,0,0,2|1,0,1]=4 4958 B12R1.252 C=C(F)COCC1CCCOC1 34a_100000741520_100009893438 [0,0,0,0,0,2|1,0,1]=4 4959 B12R1.252 C=C(F)COCC1CCCOC1 34a_200010262243_100000741521 [0,0,0,0,0,2|1,0,1]=4 4960 B12R1.252 C=C(F)COC[C@@H]1CNCCO1 34a_100015189573_100009893438 [0,0,0,0,0,2|1,0,1]=4 4961 B12R1.252 C=C(F)COC[C@H]1COCCO1 34a_100009875890_100009893438 [0,0,0,0,0,2|1,0,1]=4 4962 B12R1.252 CC(=CCNC1CCCOC1)C 2230a_100000719290_100000761012 [0,0,0,0,0,2|2,0,0]=4 4963 B12R1.252 CC(=CCNC1CCCOC1)C 270004a_100000718196_100000753404 [0,0,0,0,0,2|2,0,0]=4 4964 B12R1.252 CC(=CCNC1CCCOC1)C 34a_100000718196_100000693364 [0,0,0,0,0,2|2,0,0]=4 4965 B12R1.252 CC(=CCNC1CCCOC1)C 34a_100000719290_100000761012 [0,0,0,0,0,2|2,0,0]=4 4966 B12R1.252 CC(=CCOC1CCCCO1)C 34a_100000033831_100000761012 [0,0,0,0,0,2|2,0,0]=4 4967 B12R1.252 CC(=CCOC1CCCOC1)C 34a_100000753907_100000693364 [0,0,0,0,0,2|2,0,0]=4 4968 B12R1.252 CC(=CCOC1CCCOC1)C 34a_100000754041_100000761012 [0,0,0,0,0,2|2,0,0]=4 4969 B12R1.252 CC(=CCSC1CCCOC1)C 62a_100000761012_100000693364 [0,0,0,0,0,2|2,0,0]=4 4970 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,0,0,0,0,2|2,0,0]=4 4971 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,0,0,0,0,2|2,0,0]=4 4972 B12R1.252 CC(=O)CCCN1CCCOC1 269982a_100000131196_100011215641 [0,0,0,0,0,2|2,0,0]=4 4973 B12R1.252 CC(=O)CCCN1CCCOC1 34a_100000131196_100000685027 [0,0,0,0,0,2|2,0,0]=4 4974 B12R1.252 CC(=O)CCOC1C=CCCC1 7a_100000759926_100000751183 [0,0,0,0,0,2|2,0,0]=4 4975 B12R1.252 CC(=O)CCOC1CCCCC1 1458a_100000070787_100011211530 [0,0,0,0,0,2|2,0,0]=4 4976 B12R1.252 CC(=O)CCOC1CCCCC1 34a_100000759926_100000210327 [0,0,0,0,0,2|2,0,0]=4 4977 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000210231_100000053229 [0,0,0,0,0,2|2,0,0]=4 4978 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000759926_100000210327 [0,0,0,0,0,2|2,0,0]=4 4979 B12R1.252 CC(=O)CCOC1CCCCO1 1458a_100000070787_100000744793 [0,0,0,0,0,2|1,0,0]=3 4980 B12R1.252 CC(=O)CCOC1CCCOC1 34a_100000759926_100000693364 [0,0,0,0,0,2|1,0,0]=3 4981 B12R1.252 CC(=O)CCOC1CCCOC1 7a_100000759926_100000693364 [0,0,0,0,0,2|1,0,0]=3 4982 B12R1.252 CC(=O)CCOC1CCCSC1 7a_100015962668_100000053229 [0,0,0,0,0,2|1,1,0]=4 4983 B12R1.252 CC(=O)CCOC1CCOCC1 7a_100000759926_100000686592 [0,0,0,0,0,2|2,0,0]=4 4984 B12R1.252 CC(=O)CCOC1CCSCC1 34a_100000759926_100000069128 [0,0,0,0,0,2|2,0,0]=4 4985 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000731022_100000053229 [0,0,0,0,0,2|2,0,0]=4 4986 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000759926_100011500858 [0,0,0,0,0,2|2,0,0]=4 4987 B12R1.252 CC(=O)CCSC1C=CCCC1 62a_100000053229_100000751183 [0,0,0,0,0,2|2,0,0]=4 4988 B12R1.252 CC(=O)CCSC1C=CCCC1 62a_100000751183_100000053229 [0,0,0,0,0,2|2,0,0]=4 4989 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000053229_100000210327 [0,0,0,0,0,2|2,0,0]=4 4990 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000210327_100000053229 [0,0,0,0,0,2|2,0,0]=4 4991 B12R1.252 CC(=O)CCSC1CCCOC1 62a_100000053229_100000693364 [0,0,0,0,0,2|1,0,0]=3 4992 B12R1.252 CC(=O)CCSC1CCOCC1 62a_100000053229_100011324220 [0,0,0,0,0,2|2,0,0]=4 4993 B12R1.252 CC(=O)CCSC1CCSCC1 62a_100000053229_100000069128 [0,0,0,0,0,2|2,0,0]=4 4994 B12R1.252 CC(=O)COCC1CCCCC1 34a_100000211253_100000211423 [0,0,0,0,0,2|1,0,0]=3 4995 B12R1.252 CC(=O)COCC1CCCCO1 1458a_100011223378_200000210301 [0,0,0,0,0,2|0,0,0]=2 4996 B12R1.252 CC(=O)COCC1CCCCO1 34a_100000211253_100000211543 [0,0,0,0,0,2|0,0,0]=2 4997 B12R1.252 CC(=O)COCC1CCCOC1 34a_100000211253_100000741521 [0,0,0,0,0,2|0,0,0]=2 4998 B12R1.252 CC(=O)COCC1CCOCC1 34a_100000211253_100000754603 [0,0,0,0,0,2|1,0,0]=3 4999 B12R1.252 CC(=O)NCCC1CCCCC1 11a_100000738074_100015343762 [0,0,0,0,0,2|2,0,0]=4 5000 B12R1.252 CC(=O)NCCC1CCCCC1 1626a_100000738074_100015343762 [0,0,0,0,0,2|2,0,0]=4 5001 B12R1.252 CC(=O)NCCC1CCCCC1 240690a_100000738074_100015343762 [0,0,0,0,0,2|2,0,0]=4 5002 B12R1.252 CC(=O)NCCC1CCCCC1 527a_100000738074_100103153847 [0,0,0,0,0,2|2,0,0]=4 5003 B12R1.252 CC(=O)NCCC1CCCCO1 11a_100015183643_100015343762 [0,0,0,0,0,2|1,0,0]=3 5004 B12R1.252 CC(=O)NCCC1CCCCO1 1626a_100015183643_100015343762 [0,0,0,0,0,2|1,0,0]=3 5005 B12R1.252 CC(=O)NCCC1CCCCO1 240690a_100015183643_100015343762 [0,0,0,0,0,2|1,0,0]=3 5006 B12R1.252 CC(=O)NCCC1CCCCO1 527a_100015183643_100103153847 [0,0,0,0,0,2|1,0,0]=3 5007 B12R1.252 CC(=O)NCCC1CCOCC1 11a_100000755988_100015343762 [0,0,0,0,0,2|2,0,0]=4 5008 B12R1.252 CC(=O)NCCC1CCOCC1 1626a_100000755988_100015343762 [0,0,0,0,0,2|2,0,0]=4 5009 B12R1.252 CC(=O)NCCC1CCOCC1 240690a_100000755988_100015343762 [0,0,0,0,0,2|2,0,0]=4 5010 B12R1.252 CC(=O)NCCC1CCOCC1 527a_100000755988_100103153847 [0,0,0,0,0,2|2,0,0]=4 5011 B12R1.252 CC(=O)NCCN1CCCOC1 2230a_100000131196_100000189650 [0,0,0,0,0,2|2,0,0]=4 5012 B12R1.252 CC(=O)NCCN1CCCOC1 269982a_100000131196_100000189650 [0,0,0,0,0,2|2,0,0]=4 5013 B12R1.252 CC(=O)NN=CC1CCCOC1 4a_100000189765_100000753300 [0,0,0,0,0,2|1,0,1]=4 5014 B12R1.252 CC(=O)NNCC1CCCCC1 22a_100000740227_100000070787 [0,0,0,0,0,2|2,0,0]=4 5015 B12R1.252 CC(=O)NNCC1CCOCC1 22a_200000757053_100000070787 [0,0,0,0,0,2|2,0,0]=4 5016 B12R1.252 CC(=O)OCCN1CCCOC1 269982a_100000131196_100009814007 [0,0,0,0,0,2|1,0,0]=3 5017 B12R1.252 CC(=O)OCCN1CCCOC1 34a_100000131196_100009814007 [0,0,0,0,0,2|1,0,0]=3 5018 B12R1.252 CC(=O)OCCN1CCOCC1 269982a_100015191051_100009814007 [0,0,0,0,0,2|2,0,0]=4 5019 B12R1.252 CC(=O)OCCN1CCOCC1 34a_100015191051_100009814007 [0,0,0,0,0,2|2,0,0]=4 5020 B12R1.252 CC(=O)OCCN1CCSCC1 269982a_100000737611_100009814007 [0,0,0,0,0,2|2,0,0]=4 5021 B12R1.252 CC(=O)OCNC1CCCCC1 34a_100000182618_100009813279 [0,0,0,0,0,2|1,0,0]=3 5022 B12R1.252 CC(=O)OCNC1CCCOC1 34a_100000719290_100009813279 [0,0,0,0,0,2|0,0,0]=2 5023 B12R1.252 CC(=O)OCNC1CCOCC1 34a_100000741149_100009813279 [0,0,0,0,0,2|1,0,0]=3 5024 B12R1.252 CC(=O)OCNC1CCSCC1 34a_100000748639_100009813279 [0,0,0,0,0,2|1,0,0]=3 5025 B12R1.252 CC(=O)OCOC1C=CCCC1 34a_100011215024_100009813279 [0,0,0,0,0,2|1,0,0]=3 5026 B12R1.252 CC(=O)OCOC1CC=CCC1 34a_100000073881_100009813279 [0,0,0,0,0,2|1,0,1]=4 5027 B12R1.252 CC(=O)OCOC1CCCCC1 34a_100000210231_100009813279 [0,0,0,0,0,2|1,0,0]=3 5028 B12R1.252 CC(=O)OCOC1CCCCO1 34a_100000033831_100009813279 [0,0,0,0,0,2|0,0,0]=2 5029 B12R1.252 CC(=O)OCOC1CCCOC1 34a_100000754041_100009813279 [0,0,0,0,0,2|0,0,0]=2 5030 B12R1.252 CC(=O)OCOC1CCOCC1 34a_100000744328_100009813279 [0,0,0,0,0,2|1,0,0]=3 5031 B12R1.252 CC(=O)OCOC1CCSCC1 34a_100000731022_100009813279 [0,0,0,0,0,2|1,0,0]=3 5032 B12R1.252 CC(=O)OCSC1C=CCCC1 62a_100000076356_100000751183 [0,0,0,0,0,2|1,0,0]=3 5033 B12R1.252 CC(=O)OCSC1C=CCCC1 62a_100000751183_100000076356 [0,0,0,0,0,2|1,0,0]=3 5034 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000076356_100000210327 [0,0,0,0,0,2|1,0,0]=3 5035 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000210327_100000076356 [0,0,0,0,0,2|1,0,0]=3 5036 B12R1.252 CC(=O)OCSC1CCCOC1 62a_100000076356_100000693364 [0,0,0,0,0,2|0,0,0]=2 5037 B12R1.252 CC(=O)OCSC1CCOCC1 62a_100000076356_100011324220 [0,0,0,0,0,2|1,0,0]=3 5038 B12R1.252 CC(=O)OCSC1CCSCC1 62a_100000076356_100000069128 [0,0,0,0,0,2|1,0,0]=3 5039 B12R1.252 CC(Br)COCC1CCCCO1 34a_100012180447_100000211543 [0,0,0,0,0,2|1,0,1]=4 5040 B12R1.252 CC(Br)COCC1CCCOC1 34a_100012180447_100000741521 [0,0,0,0,0,2|1,0,1]=4 5041 B12R1.252 CC(C)COCC1CCCCO1 34a_100000210257_100000211543 [0,0,0,0,0,2|1,0,1]=4 5042 B12R1.252 CC(C)COCC1CCCCO1 34a_100000211370_100000210624 [0,0,0,0,0,2|1,0,1]=4 5043 B12R1.252 CC(C)COCC1CCCCO1 7a_100000211370_100000210760 [0,0,0,0,0,2|1,0,1]=4 5044 B12R1.252 CC(C)COCC1CCCOC1 34a_100000210257_100000741521 [0,0,0,0,0,2|1,0,1]=4 5045 B12R1.252 CC(C)COCC1CCCOC1 34a_100000741520_100000210624 [0,0,0,0,0,2|1,0,1]=4 5046 B12R1.252 CC(C)COC[C@@H]1CNCCO1 34a_100015189573_100000210624 [0,0,0,0,0,2|1,0,1]=4 5047 B12R1.252 CC(C)COC[C@H]1COCCO1 34a_100009875890_100000210624 [0,0,0,0,0,2|1,0,1]=4 5048 B12R1.252 CC(C)OCCC1OCCCO1 34a_100000212225_100000764188 [0,0,0,0,0,2|1,0,1]=4 5049 B12R1.252 CC(C)OCNC1CCCOC1 2230a_100000719290_100000709892 [0,0,0,0,0,2|1,0,1]=4 5050 B12R1.252 CC(C)OCNC1CCCOC1 34a_100000719290_100000709892 [0,0,0,0,0,2|1,0,1]=4 5051 B12R1.252 CC(C)OCOC1CCCCO1 34a_100000033831_100000709892 [0,0,0,0,0,2|1,0,1]=4 5052 B12R1.252 CC(C)OCOC1CCCOC1 34a_100000754041_100000709892 [0,0,0,0,0,2|1,0,1]=4 5053 B12R1.252 CC(C)OCSC1CCCOC1 62a_100000709892_100000693364 [0,0,0,0,0,2|1,0,1]=4 5054 B12R1.252 CC(F)COCC1CCCCO1 34a_100015925927_100000211543 [0,0,0,0,0,2|1,0,1]=4 5055 B12R1.252 CC(F)COCC1CCCOC1 34a_100015925927_100000741521 [0,0,0,0,0,2|1,0,1]=4 5056 B12R1.252 CC(O)COCC1CCCCO1 34a_100000211370_100011218427 [0,0,0,0,0,2|0,0,2]=4 5057 B12R1.252 CC(O)COCC1CCCCO1 7a_100000211370_100011218427 [0,0,0,0,0,2|0,0,2]=4 5058 B12R1.252 CC(O)COCC1CCCOC1 34a_100000741520_100011218427 [0,0,0,0,0,2|0,0,2]=4 5059 B12R1.252 CC(O)COC[C@@H]1CNCCO1 34a_100015189573_100011218427 [0,0,0,0,0,2|0,0,2]=4 5060 B12R1.252 CC(O)COC[C@H]1COCCO1 34a_100009875890_100011218427 [0,0,0,0,0,2|0,0,2]=4 5061 B12R1.252 C[C@@H](Cl)COCC1CCCCO1 34a_100016084084_100000211543 [0,0,0,0,0,2|1,0,1]=4 5062 B12R1.252 C[C@@H](Cl)COCC1CCCOC1 34a_100016084084_100000741521 [0,0,0,0,0,2|1,0,1]=4 5063 B12R1.252 C[C@@H](N)COCC1CCCCO1 34a_100000737577_100000211543 [0,0,0,0,0,2|1,0,1]=4 5064 B12R1.252 C[C@@H](N)COCC1CCCOC1 34a_100000737577_100000741521 [0,0,0,0,0,2|1,0,1]=4 5065 B12R1.252 C[C@@H](O)COCC1CCCCO1 34a_100000211370_100009817552 [0,0,0,0,0,2|0,0,2]=4 5066 B12R1.252 C[C@@H](O)COCC1CCCCO1 7a_100000211370_100009817552 [0,0,0,0,0,2|0,0,2]=4 5067 B12R1.252 C[C@@H](O)COCC1CCCOC1 34a_100000741520_100009817552 [0,0,0,0,0,2|0,0,2]=4 5068 B12R1.252 C[C@@H](O)COC[C@@H]1CNCCO1 34a_100015189573_100009817552 [0,0,0,0,0,2|0,0,2]=4 5069 B12R1.252 C[C@@H](O)COC[C@H]1COCCO1 34a_100009875890_100009817552 [0,0,0,0,0,2|0,0,2]=4 5070 B12R1.252 NC(=O)CCNC1CCCOC1 2230a_100000719290_100000744528 [0,0,0,0,0,2|2,0,0]=4 5071 B12R1.252 NC(=O)CCNC1CCCOC1 34a_100000719290_100000731001 [0,0,0,0,0,2|2,0,0]=4 5072 B12R1.252 NC(=O)CCOC1CCCCO1 34a_100000033831_100000731001 [0,0,0,0,0,2|2,0,0]=4 5073 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000754041_100000731001 [0,0,0,0,0,2|2,0,0]=4 5074 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000757172_100000693364 [0,0,0,0,0,2|2,0,0]=4 5075 B12R1.252 NC(=O)CCOC1CCCOC1 7a_100000757172_100000693364 [0,0,0,0,0,2|2,0,0]=4 5076 B12R1.252 NC(=O)CCSC1CCCOC1 62a_100000744528_100000693364 [0,0,0,0,0,2|2,0,0]=4 5077 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000174945_100000747473 [0,0,0,0,0,2|2,0,0]=4 5078 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000711301_100000211543 [0,0,0,0,0,2|2,0,0]=4 5079 B12R1.252 NC(=O)CNCC1CCCCO1 34a_100000174945_100000187820 [0,0,0,0,0,2|2,0,0]=4 5080 B12R1.252 NC(=O)CNCC1CCCOC1 2230a_100000711301_100000741521 [0,0,0,0,0,2|2,0,0]=4 5081 B12R1.252 NC(=O)CNCC1CCCOC1 2230a_100000720124_100000747473 [0,0,0,0,0,2|2,0,0]=4 5082 B12R1.252 NC(=O)CNCC1CCCOC1 34a_100000720124_100000187820 [0,0,0,0,0,2|2,0,0]=4 5083 B12R1.252 NC(=O)CNC[C@H]1COCCO1 2230a_100010981119_100000747473 [0,0,0,0,0,2|2,0,0]=4 5084 B12R1.252 NC(=O)CNC[C@H]1COCCO1 34a_100010981119_100000187820 [0,0,0,0,0,2|2,0,0]=4 5085 B12R1.252 NC(=O)COCC1CCC=CO1 34a_100011217868_100000187820 [0,0,0,0,0,2|1,0,1]=4 5086 B12R1.252 NC(=O)COCC1CCCCC1 34a_100000212181_100000187820 [0,0,0,0,0,2|2,0,0]=4 5087 B12R1.252 NC(=O)COCC1CCCCC1 7a_100000212181_100000187820 [0,0,0,0,0,2|2,0,0]=4 5088 B12R1.252 NC(=O)COCC1CCCCN1 34a_100000210821_100000187820 [0,0,0,0,0,2|2,0,0]=4 5089 B12R1.252 NC(=O)COCC1CCCCO1 34a_100000211370_100000187820 [0,0,0,0,0,2|1,0,0]=3 5090 B12R1.252 NC(=O)COCC1CCCCO1 7a_100000211370_100000187820 [0,0,0,0,0,2|1,0,0]=3 5091 B12R1.252 NC(=O)COCC1CCCNC1 34a_100000211344_100000187820 [0,0,0,0,0,2|2,0,0]=4 5092 B12R1.252 NC(=O)COCC1CCCOC1 34a_100000741520_100000187820 [0,0,0,0,0,2|1,0,0]=3 5093 B12R1.252 NC(=O)COCC1CCNCC1 34a_100000738675_100000187820 [0,0,0,0,0,2|2,0,0]=4 5094 B12R1.252 NC(=O)COCC1CCOCC1 34a_100000749013_100000187820 [0,0,0,0,0,2|2,0,0]=4 5095 B12R1.252 NC(=O)COCC1CCSCC1 34a_100000070558_100000187820 [0,0,0,0,0,2|2,0,0]=4 5096 B12R1.252 NC(=O)COCC1CCSCC1 7a_100000070558_100000187820 [0,0,0,0,0,2|2,0,0]=4 5097 B12R1.252 NC(=O)COC[C@@H]1CNCCO1 34a_100015189573_100000187820 [0,0,0,0,0,2|1,0,0]=3 5098 B12R1.252 NC(=O)COC[C@@H]1COCCN1 34a_100000717676_100000187820 [0,0,0,0,0,2|2,0,0]=4 5099 B12R1.252 NC(=O)COC[C@H]1COCCO1 34a_100009875890_100000187820 [0,0,0,0,0,2|1,0,0]=3 5100 B12R1.252 NC(=O)CSCC1CCCCO1 62a_100000211543_100000747473 [0,0,0,0,0,2|1,1,0]=4 5101 B12R1.252 NC(=O)CSCC1CCCCO1 62a_100000747473_100000211543 [0,0,0,0,0,2|1,1,0]=4 5102 B12R1.252 NC(=O)CSCC1CCCOC1 62a_100000741521_100000747473 [0,0,0,0,0,2|1,1,0]=4 5103 B12R1.252 NC(=O)CSCC1CCCOC1 62a_100000747473_100000741521 [0,0,0,0,0,2|1,1,0]=4 5104 B12R1.252 NC(=O)OCCN1CCCOC1 269982a_100000131196_200011214921 [0,0,0,0,0,2|2,0,0]=4 5105 B12R1.252 NC(=O)OCCN1CCCOC1 34a_100000131196_200011214921 [0,0,0,0,0,2|2,0,0]=4 5106 B12R1.252 O=C(O)CNCC1CCCCO1 269956a_100016091260_100000211543 [0,0,0,0,0,2|2,0,0]=4 5107 B12R1.252 O=C(O)CNCC1CCCOC1 269956a_100016091260_100000741521 [0,0,0,0,0,2|2,0,0]=4 5108 B12R1.252 O=C(O)CONC1CCCOC1 269956a_100000106656_100000693364 [0,0,0,0,0,2|2,0,0]=4 5109 B12R1.252 O=C([O-])CNCC1CCCCO1 34a_100000174945_100020667443 [0,0,0,0,0,2|2,0,0]=4 5110 B12R1.252 O=C([O-])CNCC1CCCOC1 34a_100000720124_100020667443 [0,0,0,0,0,2|2,0,0]=4 5111 B12R1.252 O=C([O-])CNC[C@H]1COCCO1 34a_100010981119_100020667443 [0,0,0,0,0,2|2,0,0]=4 5112 B12R1.252 O=C([O-])COCC1CCC=CO1 34a_100011217868_100020667443 [0,0,0,0,0,2|1,0,1]=4 5113 B12R1.252 O=C([O-])COCC1CCCCC1 34a_100000212181_100020667443 [0,0,0,0,0,2|2,0,0]=4 5114 B12R1.252 O=C([O-])COCC1CCCCN1 34a_100000210821_100020667443 [0,0,0,0,0,2|2,0,0]=4 5115 B12R1.252 O=C([O-])COCC1CCCCO1 34a_100000211370_100020667443 [0,0,0,0,0,2|1,0,0]=3 5116 B12R1.252 O=C([O-])COCC1CCCNC1 34a_100000211344_100020667443 [0,0,0,0,0,2|2,0,0]=4 5117 B12R1.252 O=C([O-])COCC1CCCOC1 34a_100000741520_100020667443 [0,0,0,0,0,2|1,0,0]=3 5118 B12R1.252 O=C([O-])COCC1CCNCC1 34a_100000738675_100020667443 [0,0,0,0,0,2|2,0,0]=4 5119 B12R1.252 O=C([O-])COCC1CCOCC1 34a_100000749013_100020667443 [0,0,0,0,0,2|2,0,0]=4 5120 B12R1.252 O=C([O-])COCC1CCSCC1 34a_100000070558_100020667443 [0,0,0,0,0,2|2,0,0]=4 5121 B12R1.252 O=C([O-])COC[C@@H]1CNCCO1 34a_100015189573_100020667443 [0,0,0,0,0,2|1,0,0]=3 5122 B12R1.252 O=C([O-])COC[C@@H]1COCCN1 34a_100000717676_100020667443 [0,0,0,0,0,2|2,0,0]=4 5123 B12R1.252 O=C([O-])COC[C@H]1COCCO1 34a_100009875890_100020667443 [0,0,0,0,0,2|1,0,0]=3 5124 B12R1.252 O=C([O-])CSCC1CCCCO1 62a_100000211543_100020667443 [0,0,0,0,0,2|1,1,0]=4 5125 B12R1.252 O=C([O-])CSCC1CCCCO1 62a_100020667443_100000211543 [0,0,0,0,0,2|1,1,0]=4 5126 B12R1.252 O=C([O-])CSCC1CCCOC1 62a_100000741521_100020667443 [0,0,0,0,0,2|1,1,0]=4 5127 B12R1.252 O=C([O-])CSCC1CCCOC1 62a_100020667443_100000741521 [0,0,0,0,0,2|1,1,0]=4 5128 B12R1.252 O=[N+]([O-])COCC1CCCCO1 34a_100000211370_100000761209 [0,0,0,0,0,2|2,0,0]=4 5129 B12R1.252 O=[N+]([O-])COCC1CCCOC1 34a_100000741520_100000761209 [0,0,0,0,0,2|2,0,0]=4 5130 B12R1.252 O=[N+]([O-])COC[C@@H]1CNCCO1 34a_100015189573_100000761209 [0,0,0,0,0,2|2,0,0]=4 5131 B12R1.252 O=[N+]([O-])COC[C@H]1COCCO1 34a_100009875890_100000761209 [0,0,0,0,0,2|2,0,0]=4 5132 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,0,0,0,0,2|2,0,0]=4 5133 B12R1.252 [13CH3]C(=O)COCC1CCCCO1 1458a_100011223378_200025704644 [0,0,0,0,0,2|0,0,0]=2 5134 B12R1.1343 CC(=O)CCN1CCCOCC1 269982a_100000685342_100000053229 [0,0,0,0,0,2|2,0,0]=4 5135 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [0,0,0,0,0,2|2,0,0]=4 5136 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [0,0,0,0,0,2|2,0,0]=4 5137 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [0,0,0,0,0,2|2,0,0]=4 5138 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [0,0,0,0,0,2|2,0,0]=4 5139 B12R1.1343 CC(=O)OCN1CCCCCC1 269982a_100000185865_100000076356 [0,0,0,0,0,2|2,0,0]=4 5140 B12R1.1343 CC(=O)OCN1CCCCCC1 34a_100000185865_100009813279 [0,0,0,0,0,2|2,0,0]=4 5141 B12R1.1343 CC(=O)OCN1CCCOCC1 269982a_100000685342_100000076356 [0,0,0,0,0,2|1,0,0]=3 5142 B12R1.1343 CC(=O)OCN1CCCOCC1 34a_100000685342_100009813279 [0,0,0,0,0,2|1,0,0]=3 5143 B12R1.1343 CC(C)OCC1CNCCOC1 34a_100103147999_100000210206 [0,0,0,0,0,2|1,0,1]=4 5144 B12R1.255 C=C(C)CCNC[C@@H]1CCCO1 2230a_100020590478_100000730704 [0,0,0,0,0,2|2,0,0]=4 5145 B12R1.255 C=C(C)CCNC[C@@H]1CCCO1 34a_100020590478_100000730704 [0,0,0,0,0,2|2,0,0]=4 5146 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000742336_100000730704 [0,0,0,0,0,2|2,0,0]=4 5147 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000764851_100000740388 [0,0,0,0,0,2|2,0,0]=4 5148 B12R1.255 C=C(C)CCOCC1CCCC1 7a_100000742336_100000730704 [0,0,0,0,0,2|2,0,0]=4 5149 B12R1.255 C=C(C)CCOCC1CCCO1 34a_100000210270_100000730704 [0,0,0,0,0,2|1,0,0]=3 5150 B12R1.255 C=C(C)CCOCC1CCCO1 7a_100000210270_100000730704 [0,0,0,0,0,2|1,0,0]=3 5151 B12R1.255 C=C(C)CCOCC1COCO1 34a_100011216627_100000730704 [0,0,0,0,0,2|2,0,0]=4 5152 B12R1.255 C=C(C)CCOCC1OCCO1 34a_100000087154_100000730704 [0,0,0,0,0,2|2,0,0]=4 5153 B12R1.255 C=C(C)CCOCC1OCCO1 34a_100000764851_100000755774 [0,0,0,0,0,2|2,0,0]=4 5154 B12R1.255 C=C(C)CCOC[C@H]1CCCN1 34a_100000745186_100000730704 [0,0,0,0,0,2|2,0,0]=4 5155 B12R1.255 C=C(C)CCSCC1CCCO1 62a_100000203698_100000730704 [0,0,0,0,0,2|1,1,0]=4 5156 B12R1.255 C=C(C)CCSCC1CCCO1 62a_100000730704_100000203698 [0,0,0,0,0,2|1,1,0]=4 5157 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000210245_100000760354 [0,0,0,0,0,2|2,0,0]=4 5158 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000749090_100000748629 [0,0,0,0,0,2|2,0,0]=4 5159 B12R1.255 C=C(C)COCCC1CCCC1 7a_100000749090_100000748629 [0,0,0,0,0,2|2,0,0]=4 5160 B12R1.255 C=C(C)COCCC1OCCO1 34a_100000210245_100000740749 [0,0,0,0,0,2|2,0,0]=4 5161 B12R1.255 CC(=CCCOC1CCCO1)C 34a_100000085407_100011217483 [0,0,0,0,0,2|2,0,0]=4 5162 B12R1.255 CC(=CCNC[C@@H]1CCCO1)C 2230a_100020590478_100000761012 [0,0,0,0,0,2|2,0,0]=4 5163 B12R1.255 CC(=CCNC[C@@H]1CCCO1)C 34a_100020590478_100000761012 [0,0,0,0,0,2|2,0,0]=4 5164 B12R1.255 CC(=CCOCC1CCCC1)C 34a_100000742336_100000761012 [0,0,0,0,0,2|2,0,0]=4 5165 B12R1.255 CC(=CCOCC1CCCC1)C 34a_100000753907_100000740388 [0,0,0,0,0,2|2,0,0]=4 5166 B12R1.255 CC(=CCOCC1CCCC1)C 7a_100000742336_100000761012 [0,0,0,0,0,2|2,0,0]=4 5167 B12R1.255 CC(=CCOCC1CCCO1)C 34a_100000210270_100000761012 [0,0,0,0,0,2|1,0,0]=3 5168 B12R1.255 CC(=CCOCC1CCCO1)C 7a_100000210270_100000761012 [0,0,0,0,0,2|1,0,0]=3 5169 B12R1.255 CC(=CCOCC1COCO1)C 34a_100011216627_100000761012 [0,0,0,0,0,2|2,0,0]=4 5170 B12R1.255 CC(=CCOCC1OCCO1)C 34a_100000087154_100000761012 [0,0,0,0,0,2|2,0,0]=4 5171 B12R1.255 CC(=CCOCC1OCCO1)C 34a_100000753907_100000755774 [0,0,0,0,0,2|2,0,0]=4 5172 B12R1.255 CC(=CCOC[C@H]1CCCN1)C 34a_100000745186_100000761012 [0,0,0,0,0,2|2,0,0]=4 5173 B12R1.255 CC(=CCSCC1CCCO1)C 62a_100000203698_100000761012 [0,0,0,0,0,2|1,1,0]=4 5174 B12R1.255 CC(=CCSCC1CCCO1)C 62a_100000761012_100000203698 [0,0,0,0,0,2|1,1,0]=4 5175 B12R1.255 CC(=O)CCCCC1OCCO1 1458a_100000070787_100000034956 [0,0,0,0,0,2|2,0,0]=4 5176 B12R1.255 CC(=O)CCCNC1CCCC1 34a_100000211070_100000685027 [0,0,0,0,0,2|2,0,0]=4 5177 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000210269_100000685027 [0,0,0,0,0,2|2,0,0]=4 5178 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000759063_100000179811 [0,0,0,0,0,2|2,0,0]=4 5179 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000210269_100011215641 [0,0,0,0,0,2|2,0,0]=4 5180 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000759063_100000179811 [0,0,0,0,0,2|2,0,0]=4 5181 B12R1.255 CC(=O)CCCOC1CCCO1 34a_100000085407_100000685027 [0,0,0,0,0,2|1,0,0]=3 5182 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011215641_100000179811 [0,0,0,0,0,2|2,0,0]=4 5183 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011217020_100011215641 [0,0,0,0,0,2|2,0,0]=4 5184 B12R1.255 CC(=O)CCOCC1CCCC1 34a_100000759926_100000740388 [0,0,0,0,0,2|1,0,0]=3 5185 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000742336_100000053229 [0,0,0,0,0,2|1,0,0]=3 5186 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000759926_100000740388 [0,0,0,0,0,2|1,0,0]=3 5187 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000210270_100000053229 [0,0,0,0,0,2|0,0,0]=2 5188 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000759926_100000203698 [0,0,0,0,0,2|0,0,0]=2 5189 B12R1.255 CC(=O)CCOCC1CCOC1 34a_100000759926_100011261433 [0,0,0,0,0,2|2,0,0]=4 5190 B12R1.255 CC(=O)CCOCC1CCOC1 7a_100000759926_100000702531 [0,0,0,0,0,2|2,0,0]=4 5191 B12R1.255 CC(=O)CCOCC1OCCO1 34a_100000759926_100000755774 [0,0,0,0,0,2|1,0,0]=3 5192 B12R1.255 CC(=O)CCOCC1OCCO1 7a_100000759926_100000755774 [0,0,0,0,0,2|1,0,0]=3 5193 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000053229_100000740388 [0,0,0,0,0,2|1,1,0]=4 5194 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000740388_100000053229 [0,0,0,0,0,2|1,1,0]=4 5195 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000053229_100000203698 [0,0,0,0,0,2|0,1,0]=3 5196 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000203698_100000053229 [0,0,0,0,0,2|0,1,0]=3 5197 B12R1.255 CC(=O)CCSCC1OCCO1 62a_100000053229_100000755774 [0,0,0,0,0,2|1,1,0]=4 5198 B12R1.255 CC(=O)CCSCC1OCCO1 62a_100000755774_100000053229 [0,0,0,0,0,2|1,1,0]=4 5199 B12R1.255 CC(=O)COCCC1CCCC1 34a_100000211253_100000760354 [0,0,0,0,0,2|1,0,0]=3 5200 B12R1.255 CC(=O)COCCC1OCCO1 34a_100000211253_100000740749 [0,0,0,0,0,2|1,0,0]=3 5201 B12R1.255 CC(=O)NCCCC1CCCC1 11a_100000736752_100015343762 [0,0,0,0,0,2|2,0,0]=4 5202 B12R1.255 CC(=O)NCCCC1CCCC1 1626a_100000736752_100015343762 [0,0,0,0,0,2|2,0,0]=4 5203 B12R1.255 CC(=O)NCCCC1CCCC1 240690a_100000736752_100015343762 [0,0,0,0,0,2|2,0,0]=4 5204 B12R1.255 CC(=O)NCCCC1CCCC1 527a_100000736752_100103153847 [0,0,0,0,0,2|2,0,0]=4 5205 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000209853_100000179811 [0,0,0,0,0,2|2,0,0]=4 5206 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000211070_100000189650 [0,0,0,0,0,2|2,0,0]=4 5207 B12R1.255 CC(=O)NCCOC1CCCC1 11a_100000741755_100015343762 [0,0,0,0,0,2|2,0,0]=4 5208 B12R1.255 CC(=O)NCCOC1CCCC1 1626a_100000741755_100015343762 [0,0,0,0,0,2|2,0,0]=4 5209 B12R1.255 CC(=O)NCCOC1CCCC1 240690a_100000741755_100015343762 [0,0,0,0,0,2|2,0,0]=4 5210 B12R1.255 CC(=O)NCCOC1CCCC1 34a_100000158858_100000179811 [0,0,0,0,0,2|2,0,0]=4 5211 B12R1.255 CC(=O)NCCOC1CCCC1 527a_100000741755_100103153847 [0,0,0,0,0,2|2,0,0]=4 5212 B12R1.255 CC(=O)NCCOC1CCCC1 7a_100000210269_100000189650 [0,0,0,0,0,2|2,0,0]=4 5213 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100000189650_100000179811 [0,0,0,0,0,2|2,0,0]=4 5214 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100011217020_100000189650 [0,0,0,0,0,2|2,0,0]=4 5215 B12R1.255 CC(=O)OCCCN1CCCC1 269982a_100000188435_100000042594 [0,0,0,0,0,2|2,0,0]=4 5216 B12R1.255 CC(=O)OCCNC1CCCC1 34a_100000211070_100009814007 [0,0,0,0,0,2|1,0,0]=3 5217 B12R1.255 CC(=O)OCCN[C@H]1CCOC1 34a_100015188467_100009814007 [0,0,0,0,0,2|2,0,0]=4 5218 B12R1.255 CC(=O)OCCOC1CCCC1 34a_100000210269_100009814007 [0,0,0,0,0,2|1,0,0]=3 5219 B12R1.255 CC(=O)OCCOC1CCCC1 7a_100000210269_100009814007 [0,0,0,0,0,2|1,0,0]=3 5220 B12R1.255 CC(=O)OCCOC1CCCO1 34a_100000085407_100009814007 [0,0,0,0,0,2|0,0,0]=2 5221 B12R1.255 CC(=O)OCCOC1CCSC1 7a_100011232664_100009814007 [0,0,0,0,0,2|2,0,0]=4 5222 B12R1.255 CC(=O)OCCO[C@H]1CCOC1 34a_100000717292_100009814007 [0,0,0,0,0,2|2,0,0]=4 5223 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100009814007_100000179811 [0,0,0,0,0,2|1,0,0]=3 5224 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100011217020_100009814007 [0,0,0,0,0,2|1,0,0]=3 5225 B12R1.255 CC(=O)OCCSC1CCOC1 62a_100009814007_100000690089 [0,0,0,0,0,2|2,0,0]=4 5226 B12R1.255 CC(=O)OCNCC1CCCC1 34a_100000737975_100009813279 [0,0,0,0,0,2|1,0,0]=3 5227 B12R1.255 CC(=O)OCNCC1CCOC1 34a_100000737293_100009813279 [0,0,0,0,0,2|2,0,0]=4 5228 B12R1.255 CC(=O)OCNCC1OCCO1 34a_100000036311_100009813279 [0,0,0,0,0,2|1,0,0]=3 5229 B12R1.255 CC(=O)OCNC[C@@H]1CCCO1 34a_100020590478_100009813279 [0,0,0,0,0,2|0,0,0]=2 5230 B12R1.255 CC(=O)OCOCC1CCCC1 34a_100000742336_100009813279 [0,0,0,0,0,2|1,0,0]=3 5231 B12R1.255 CC(=O)OCOCC1CCCO1 34a_100000210270_100009813279 [0,0,0,0,0,2|0,0,0]=2 5232 B12R1.255 CC(=O)OCOCC1CCNC1 34a_100000748654_100009813279 [0,0,0,0,0,2|2,0,0]=4 5233 B12R1.255 CC(=O)OCOCC1CCOC1 34a_100000740260_100009813279 [0,0,0,0,0,2|2,0,0]=4 5234 B12R1.255 CC(=O)OCOCC1COCO1 34a_100011216627_100009813279 [0,0,0,0,0,2|1,0,0]=3 5235 B12R1.255 CC(=O)OCOCC1OCCO1 34a_100000087154_100009813279 [0,0,0,0,0,2|1,0,0]=3 5236 B12R1.255 CC(=O)OCOC[C@H]1CCCN1 34a_100000745186_100009813279 [0,0,0,0,0,2|1,0,0]=3 5237 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000076356_100000740388 [0,0,0,0,0,2|1,0,0]=3 5238 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000740388_100000076356 [0,0,0,0,0,2|1,0,0]=3 5239 B12R1.255 CC(=O)OCSCC1CCCO1 62a_100000076356_100000203698 [0,0,0,0,0,2|0,0,0]=2 5240 B12R1.255 CC(=O)OCSCC1CCCO1 62a_100000203698_100000076356 [0,0,0,0,0,2|0,0,0]=2 5241 B12R1.255 CC(=O)OCSCC1CCOC1 62a_100000076356_100000702531 [0,0,0,0,0,2|2,0,0]=4 5242 B12R1.255 CC(=O)OCSCC1CCOC1 62a_100000702531_100000076356 [0,0,0,0,0,2|2,0,0]=4 5243 B12R1.255 CC(=O)OCSCC1OCCO1 62a_100000076356_100000755774 [0,0,0,0,0,2|1,0,0]=3 5244 B12R1.255 CC(=O)OCSCC1OCCO1 62a_100000755774_100000076356 [0,0,0,0,0,2|1,0,0]=3 5245 B12R1.255 CC(C)CCOCC1CCCO1 34a_100000210270_100000210312 [0,0,0,0,0,2|1,0,1]=4 5246 B12R1.255 CC(C)CCOCC1CCCO1 7a_100000210254_100000203698 [0,0,0,0,0,2|1,0,1]=4 5247 B12R1.255 CC(C)CCOCC1CCCO1 7a_100000210270_100000210626 [0,0,0,0,0,2|1,0,1]=4 5248 B12R1.255 CC(C)OCCOC1CCCO1 34a_100000085407_100000211751 [0,0,0,0,0,2|1,0,1]=4 5249 B12R1.255 CC(C)OCNC[C@@H]1CCCO1 2230a_100020590478_100000709892 [0,0,0,0,0,2|1,0,1]=4 5250 B12R1.255 CC(C)OCNC[C@@H]1CCCO1 34a_100020590478_100000709892 [0,0,0,0,0,2|1,0,1]=4 5251 B12R1.255 CC(C)OCOCC1CCCO1 34a_100000210270_100000709892 [0,0,0,0,0,2|1,0,1]=4 5252 B12R1.255 CC(C)OCSCC1CCCO1 62a_100000203698_100000709892 [0,0,0,0,0,2|1,0,1]=4 5253 B12R1.255 CC(C)OCSCC1CCCO1 62a_100000709892_100000203698 [0,0,0,0,0,2|1,0,1]=4 5254 B12R1.255 CC(O)CCOCC1CCCO1 34a_100000210270_100012276601 [0,0,0,0,0,2|0,0,2]=4 5255 B12R1.255 CC(O)CCOCC1CCCO1 7a_100000210270_100012276601 [0,0,0,0,0,2|0,0,2]=4 5256 B12R1.255 CN(C)CCOCC1CCCO1 7a_100000210270_100000755713 [0,0,0,0,0,2|2,0,0]=4 5257 B12R1.255 NC(=O)CCCOC1CCCO1 34a_100000085407_100102525003 [0,0,0,0,0,2|2,0,0]=4 5258 B12R1.255 NC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000744528 [0,0,0,0,0,2|2,0,0]=4 5259 B12R1.255 NC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100000731001 [0,0,0,0,0,2|2,0,0]=4 5260 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000742336_100000731001 [0,0,0,0,0,2|2,0,0]=4 5261 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000757172_100000740388 [0,0,0,0,0,2|2,0,0]=4 5262 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000742336_100000744528 [0,0,0,0,0,2|2,0,0]=4 5263 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000757172_100000740388 [0,0,0,0,0,2|2,0,0]=4 5264 B12R1.255 NC(=O)CCOCC1CCCO1 34a_100000210270_100000731001 [0,0,0,0,0,2|1,0,0]=3 5265 B12R1.255 NC(=O)CCOCC1CCCO1 7a_100000210270_100000744528 [0,0,0,0,0,2|1,0,0]=3 5266 B12R1.255 NC(=O)CCOCC1CCCO1 7a_100000757172_100000203698 [0,0,0,0,0,2|1,0,0]=3 5267 B12R1.255 NC(=O)CCOCC1COCO1 34a_100011216627_100000731001 [0,0,0,0,0,2|2,0,0]=4 5268 B12R1.255 NC(=O)CCOCC1OCCO1 34a_100000087154_100000731001 [0,0,0,0,0,2|2,0,0]=4 5269 B12R1.255 NC(=O)CCOCC1OCCO1 34a_100000757172_100000755774 [0,0,0,0,0,2|2,0,0]=4 5270 B12R1.255 NC(=O)CCOCC1OCCO1 7a_100000757172_100000755774 [0,0,0,0,0,2|2,0,0]=4 5271 B12R1.255 NC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100000731001 [0,0,0,0,0,2|2,0,0]=4 5272 B12R1.255 NC(=O)CCSCC1CCCO1 62a_100000203698_100000744528 [0,0,0,0,0,2|1,1,0]=4 5273 B12R1.255 NC(=O)CCSCC1CCCO1 62a_100000744528_100000203698 [0,0,0,0,0,2|1,1,0]=4 5274 B12R1.255 NC(=O)COCCC1CCCC1 34a_100000749090_100000187820 [0,0,0,0,0,2|2,0,0]=4 5275 B12R1.255 NC(=O)COCCC1CCCC1 7a_100000749090_100000187820 [0,0,0,0,0,2|2,0,0]=4 5276 B12R1.255 NC(=O)OCCNC1CCCC1 34a_100000211070_200011214921 [0,0,0,0,0,2|2,0,0]=4 5277 B12R1.255 NC(=O)OCCOC1CCCC1 34a_100000210269_200011214921 [0,0,0,0,0,2|2,0,0]=4 5278 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000210269_200011214921 [0,0,0,0,0,2|2,0,0]=4 5279 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000766696_100000179811 [0,0,0,0,0,2|2,0,0]=4 5280 B12R1.255 NC(=O)OCCOC1CCCO1 34a_100000085407_200011214921 [0,0,0,0,0,2|1,0,0]=3 5281 B12R1.255 NC(=O)OCCSC1CCCC1 62a_100011217020_200011214921 [0,0,0,0,0,2|2,0,0]=4 5282 B12R1.255 NC(=O)OCCSC1CCCC1 62a_200011214921_100000179811 [0,0,0,0,0,2|2,0,0]=4 5283 B12R1.255 O=C(O)CONCC1CCCC1 269956a_100000106656_100000740388 [0,0,0,0,0,2|2,0,0]=4 5284 B12R1.255 O=C(O)CONCC1CCCO1 269956a_100000106656_100000183445 [0,0,0,0,0,2|1,0,0]=3 5285 B12R1.255 O=C(O)CONCC1OCCO1 269956a_100000106656_100000755774 [0,0,0,0,0,2|2,0,0]=4 5286 B12R1.255 O=C([O-])COCCC1CCCC1 34a_100000749090_100020667443 [0,0,0,0,0,2|2,0,0]=4