0 B8R0.16 C#CC(CC(C)C)OC 34a_100011215986_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.16 C#CC(CC(C)C)OC 7a_100011215986_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.16 C#CC(CC(C)C)O[13CH3] 34a_100011215986_200025704644 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.16 C#CC(CC(C)C)O[13CH3] 7a_100011215986_200025704644 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.16 C=C(C)CN(CC)CC 2230a_100000211296_100000210202 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.16 C=C(C)CN(CC)CC 2230a_100000724800_100000748629 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.16 C=C(C)CN(CC)CC 269956a_100000042499_100000748629 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.16 C=C(C)CN(CC)CC 269982a_100000211296_100000204670 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.16 C=C(C)CN(CC)CC 269982a_100000724800_100000748629 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.16 C=CC(CC(C)C)OC 34a_100012186643_200000210301 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.16 C=CC(CC(C)C)OC 7a_100012186643_200000210301 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.16 C=CC(CC(C)C)O[13CH3] 34a_100012186643_200025704644 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.16 C=CC(CC(C)C)O[13CH3] 7a_100012186643_200025704644 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.16 CC(C)CC(C#N)O[13CH3] 34a_200011294978_200025704644 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.16 CC(C)CC(C#N)O[13CH3] 7a_200011294978_200025704644 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.16 CCC(CC)CN(C)C 2230a_100102631434_100011215472 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.16 CCC(CC)CN(C)C 269982a_100102631434_100011215472 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.16 CCC(CC)CN(C)C 270004a_100102631434_100000211137 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,0,0,0,0,0|3,0,0]=3 20 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,0,0,0,0,0|3,0,0]=3 21 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,0,0,0,0,0|3,0,0]=3 22 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,0,0,0,0,0|3,0,0]=3 23 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.16 CCN(CC)CC(=O)N 2230a_100000724800_100000747473 [0,0,0,0,0,0|4,0,0]=4 25 B8R0.16 CCN(CC)CC(=O)N 269956a_100000042499_100000187820 [0,0,0,0,0,0|4,0,0]=4 26 B8R0.16 CCN(CC)CC(=O)N 269982a_100000724800_100000187820 [0,0,0,0,0,0|4,0,0]=4 27 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,0,0,0,0,0|4,0,0]=4 28 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,0,0,0,0,0|3,0,0]=3 29 B8R0.16 CCN(CC)CC(=O)[O-] 269956a_100000042499_100020667443 [0,0,0,0,0,0|4,0,0]=4 30 B8R0.16 CCN(CC)CC(=O)[O-] 269982a_100000724800_100020667443 [0,0,0,0,0,0|4,0,0]=4 31 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [0,0,0,0,0,0|4,0,0]=4 32 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [0,0,0,0,0,0|4,0,0]=4 33 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,0,0,0,0,0|3,0,0]=3 34 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,0,0,0,0,0|4,0,0]=4 36 B8R0.16 COC(C#N)CC(C)C 34a_200011294978_200000210301 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.16 COC(C#N)CC(C)C 7a_200011294978_200000210301 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,0,0,0,0,0|0,0,0]=0 39 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,0,0,0,0,0|0,0,0]=0 40 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,0,0,0,0,0|0,0,0]=0 41 B8R0.16 COC(CN(C)C)OC 2230a_100102631434_100000751394 [0,0,0,0,0,0|2,0,0]=2 42 B8R0.16 COC(CN(C)C)OC 269982a_100000225562_200000210301 [0,0,0,0,0,0|2,0,0]=2 43 B8R0.16 COC(CN(C)C)OC 270004a_100102631434_100000752162 [0,0,0,0,0,0|2,0,0]=2 44 B8R0.16 COC(CN(C)[13CH3])OC 269982a_100000225562_200025704644 [0,0,0,0,0,0|2,0,0]=2 45 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,0,0,0,0,0|4,0,0]=4 46 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [1,0,0,0,0,0|3,0,0]=4 58 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [1,0,0,0,0,0|1,0,1]=3 59 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [1,0,0,0,0,0|1,0,1]=3 60 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [1,0,0,0,0,0|1,0,1]=3 61 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [1,0,0,0,0,0|3,0,0]=4 65 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [1,0,0,0,0,0|3,0,0]=4 66 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [1,0,0,0,0,0|3,0,0]=4 67 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [1,0,0,0,0,0|3,0,0]=4 68 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,0,0,0,0,0|3,0,0]=4 71 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [1,0,0,0,0,0|1,1,0]=3 72 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [1,0,0,0,0,0|1,1,0]=3 73 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,0,0,0,0,0|1,0,1]=3 75 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,0,0,0,0,0|1,0,1]=3 76 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [1,0,0,0,0,0|1,1,1]=4 77 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [1,0,0,0,0,0|1,1,1]=4 78 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [1,0,0,0,0,0|2,1,0]=4 79 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [1,0,0,0,0,0|2,1,0]=4 80 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,0,0,0,0,0|1,0,2]=4 81 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,0,0,0,0,0|1,0,2]=4 82 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,0,0,0,0,0|1,0,2]=4 83 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,0,0,0,0,0|1,0,0]=2 84 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,0,0,0,0,0|1,0,0]=2 85 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,0,0,0,0,0|1,0,0]=2 86 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [1,0,0,0,0,0|3,0,0]=4 87 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [1,0,0,0,0,0|3,0,0]=4 88 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [1,0,0,0,0,0|3,0,0]=4 89 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [1,0,0,0,0,0|3,0,0]=4 90 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [1,0,0,0,0,0|3,0,0]=4 91 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [1,0,0,0,0,0|3,0,0]=4 92 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [1,0,0,0,0,0|3,0,0]=4 93 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,0,0,0,0,0|2,0,0]=3 94 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,0,0,0,0,0|2,0,0]=3 95 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,0,0,0,0,0|2,0,0]=3 96 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,0,0,0,0,0|2,0,0]=3 97 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,0,0,0,0,0|1,0,0]=2 98 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,0,0,0,0,0|1,0,0]=2 99 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,0,0,0,0,0|1,0,0]=2 100 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [1,0,0,0,0,0|3,0,0]=4 101 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [1,0,0,0,0,0|3,0,0]=4 102 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,0,0,0,0,0|2,0,0]=3 103 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [1,0,0,0,0,0|3,0,0]=4 104 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [1,0,0,0,0,0|3,0,0]=4 105 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [1,0,0,0,0,0|3,0,0]=4 106 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,0,0,0,0,0|3,0,0]=4 107 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,0,0,0,0,0|3,0,0]=4 108 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,0,0,0,0,0|2,0,0]=3 109 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [1,0,0,0,0,0|3,0,0]=4 110 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,0,0,0,0,0|3,0,0]=4 111 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,0,0,0,0,0|1,0,0]=2 112 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [1,0,0,0,0,0|3,0,0]=4 113 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [1,0,0,0,0,0|3,0,0]=4 114 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,0,0,0,0,0|1,0,2]=4 115 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [1,0,0,0,0,0|2,0,1]=4 117 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [1,0,0,0,0,0|2,0,1]=4 118 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [1,0,0,0,0,0|2,0,1]=4 119 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,0,0,0,0,0|0,0,2]=3 120 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,0,0,0,0,0|0,0,2]=3 121 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,0,0,0,0,0|0,0,2]=3 122 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [1,0,0,0,0,0|1,0,1]=3 123 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,0,0,0,0,0|1,0,1]=3 124 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,0,0,0,0,0|1,0,1]=3 125 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,0,0,0,0,0|1,0,1]=3 126 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [1,0,0,0,0,0|1,1,1]=4 129 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [1,0,0,0,0,0|1,1,1]=4 130 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [1,0,0,0,0,0|2,1,0]=4 131 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [1,0,0,0,0,0|2,1,0]=4 132 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [1,0,0,0,0,0|1,1,0]=3 133 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [1,0,0,0,0,0|1,1,0]=3 134 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [1,0,0,0,0,0|1,0,2]=4 135 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [1,0,0,0,0,0|1,0,2]=4 136 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [1,0,0,0,0,0|1,0,2]=4 137 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [1,0,0,0,0,0|1,0,2]=4 138 B7R0.12 C#CCC(CC)OC 34a_200011217983_200000210301 [1,0,0,0,0,0|1,0,2]=4 139 B7R0.12 C#CCC(CC)OC 7a_200011217983_200000210301 [1,0,0,0,0,0|1,0,2]=4 140 B7R0.12 C#CCC(CC)O[13CH3] 34a_200011217983_200025704644 [1,0,0,0,0,0|1,0,2]=4 141 B7R0.12 C#CCC(CC)O[13CH3] 7a_200011217983_200025704644 [1,0,0,0,0,0|1,0,2]=4 142 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,0,0,0,0,0|1,0,2]=4 143 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,0,0,0,0,0|1,0,2]=4 144 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,0,0,0,0,0|1,0,2]=4 145 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,0,0,0,0,0|1,0,2]=4 146 B7R0.12 C=CCC(C=C)OC 34a_100000038011_200000210301 [1,0,0,0,0,0|1,0,2]=4 147 B7R0.12 C=CCC(C=C)OC 7a_100000038011_200000210301 [1,0,0,0,0,0|1,0,2]=4 148 B7R0.12 C=CCC(C=C)O[13CH3] 34a_100000038011_200025704644 [1,0,0,0,0,0|1,0,2]=4 149 B7R0.12 C=CCC(C=C)O[13CH3] 7a_100000038011_200025704644 [1,0,0,0,0,0|1,0,2]=4 150 B7R0.12 CC#CC(CC)OC 34a_200011219922_200000210301 [1,0,0,0,0,0|1,0,2]=4 151 B7R0.12 CC#CC(CC)OC 7a_200011219922_200000210301 [1,0,0,0,0,0|1,0,2]=4 152 B7R0.12 CC#CC(CC)O[13CH3] 34a_200011219922_200025704644 [1,0,0,0,0,0|1,0,2]=4 153 B7R0.12 CC#CC(CC)O[13CH3] 7a_200011219922_200025704644 [1,0,0,0,0,0|1,0,2]=4 154 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [1,0,0,0,0,0|3,0,0]=4 155 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [1,0,0,0,0,0|3,0,0]=4 156 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [1,0,0,0,0,0|3,0,0]=4 157 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [1,0,0,0,0,0|3,0,0]=4 158 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [1,0,0,0,0,0|3,0,0]=4 159 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [1,0,0,0,0,0|3,0,0]=4 160 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [1,0,0,0,0,0|3,0,0]=4 161 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [1,0,0,0,0,0|3,0,0]=4 162 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [1,0,0,0,0,0|3,0,0]=4 163 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [1,0,0,0,0,0|3,0,0]=4 164 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [1,0,0,0,0,0|3,0,0]=4 165 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [1,0,0,0,0,0|3,0,0]=4 166 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [1,0,0,0,0,0|3,0,0]=4 167 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [1,0,0,0,0,0|3,0,0]=4 168 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [1,0,0,0,0,0|3,0,0]=4 169 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [1,0,0,0,0,0|3,0,0]=4 170 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [1,0,0,0,0,0|3,0,0]=4 171 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [1,0,0,0,0,0|2,0,0]=3 172 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [1,0,0,0,0,0|2,0,0]=3 173 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [1,0,0,0,0,0|2,0,0]=3 174 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [1,0,0,0,0,0|2,0,0]=3 175 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [1,0,0,0,0,0|2,0,0]=3 176 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [1,0,0,0,0,0|2,0,0]=3 177 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [1,0,0,0,0,0|2,0,1]=4 178 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [1,0,0,0,0,0|2,0,1]=4 179 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [1,0,0,0,0,0|2,0,1]=4 180 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [1,0,0,0,0,0|2,0,1]=4 181 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,0,0,0,0,0|2,0,1]=4 182 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,0,0,0,0,0|2,0,1]=4 183 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,0,0,0,0,0|2,0,1]=4 184 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,0,0,0,0,0|2,0,1]=4 185 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,0,0,0,0,0|1,0,1]=3 186 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,0,0,0,0,0|1,0,1]=3 187 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,0,0,0,0,0|1,0,1]=3 188 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,0,0,0,0,0|1,0,1]=3 189 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [1,0,0,0,0,0|1,1,1]=4 190 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [1,0,0,0,0,0|1,1,1]=4 191 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [1,0,0,0,0,0|1,1,1]=4 192 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [1,0,0,0,0,0|1,1,1]=4 193 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [1,0,0,0,0,0|3,0,0]=4 194 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [1,0,0,0,0,0|3,0,0]=4 195 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [1,0,0,0,0,0|3,0,0]=4 196 B7R0.12 CNCC(OC)OC 2230a_106832991635_100000751394 [1,0,0,0,0,0|1,0,0]=2 197 B7R0.12 CNCC(OC)OC 270004a_106832991635_100000752162 [1,0,0,0,0,0|1,0,0]=2 198 B7R0.12 CNCC(OC)OC 34a_100102657272_100000211822 [1,0,0,0,0,0|1,0,0]=2 199 B7R0.12 CNCC(OC)OC 7a_106832991635_100000751394 [1,0,0,0,0,0|1,0,0]=2 200 B7R0.12 COC(CO[13CH3])OC 34a_100011216393_200025704644 [1,0,0,0,0,0|1,0,0]=2 201 B7R0.12 COC(CSC)OC 62a_100000751394_200000210301 [1,0,0,0,0,0|1,0,0]=2 202 B7R0.12 COC(CSC)OC 62a_200000210301_100000751394 [1,0,0,0,0,0|1,0,0]=2 203 B7R0.12 COC(CS[13CH3])OC 62a_100000751394_200025704644 [1,0,0,0,0,0|1,0,0]=2 204 B7R0.12 COC(CS[13CH3])OC 62a_200025704644_100000751394 [1,0,0,0,0,0|1,0,0]=2 205 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [1,0,0,0,0,0|3,0,0]=4 206 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [1,0,0,0,0,0|3,0,0]=4 207 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [1,0,0,0,0,0|3,0,0]=4 208 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [1,0,0,0,0,0|3,0,0]=4 209 B7R0.12 COCC(OC)OC 34a_100011216393_200000210301 [1,0,0,0,0,0|1,0,0]=2 210 B7R0.12 COCC(OC)OC 34a_100138415774_100000211822 [1,0,0,0,0,0|1,0,0]=2 211 B9R0.14 C=C(C)CN(CC)COC 2230a_100000211296_100000766300 [0,1,0,0,0,0|3,0,0]=4 212 B9R0.14 C=C(C)CN(CC)COC 269982a_100000211296_100000766300 [0,1,0,0,0,0|3,0,0]=4 213 B9R0.14 CC=CC(CC(C)C)OC 34a_100020643927_200000210301 [0,1,0,0,0,0|2,0,1]=4 214 B9R0.14 CC=CC(CC(C)C)OC 7a_100020643927_200000210301 [0,1,0,0,0,0|2,0,1]=4 215 B9R0.14 CC=CC(CC(C)C)O[13CH3] 34a_100020643927_200025704644 [0,1,0,0,0,0|2,0,1]=4 216 B9R0.14 CC=CC(CC(C)C)O[13CH3] 7a_100020643927_200025704644 [0,1,0,0,0,0|2,0,1]=4 217 B9R0.14 CCC(COC)CC(C)C 34a_100012186708_200000210301 [0,1,0,0,0,0|2,0,1]=4 218 B9R0.14 CCC(COC)CC(C)C 7a_100012186708_200000210301 [0,1,0,0,0,0|2,0,1]=4 219 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [0,1,0,0,0,0|2,0,0]=3 220 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [0,1,0,0,0,0|2,0,0]=3 221 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [0,1,0,0,0,0|2,0,0]=3 222 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [0,1,0,0,0,0|2,0,0]=3 223 B9R0.14 CCC(CO[13CH3])CC(C)C 34a_100012186708_200025704644 [0,1,0,0,0,0|2,0,1]=4 224 B9R0.14 CCC(CO[13CH3])CC(C)C 7a_100012186708_200025704644 [0,1,0,0,0,0|2,0,1]=4 225 B9R0.14 CCCC(CC(C)C)OC 34a_100011351045_200000210301 [0,1,0,0,0,0|2,0,1]=4 226 B9R0.14 CCCC(CC(C)C)OC 7a_100011351045_200000210301 [0,1,0,0,0,0|2,0,1]=4 227 B9R0.14 CCCC(CC(C)C)O[13CH3] 34a_100011351045_200025704644 [0,1,0,0,0,0|2,0,1]=4 228 B9R0.14 CCCC(CC(C)C)O[13CH3] 7a_100011351045_200025704644 [0,1,0,0,0,0|2,0,1]=4 229 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [0,1,0,0,0,0|3,0,0]=4 230 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [0,1,0,0,0,0|3,0,0]=4 231 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [0,1,0,0,0,0|3,0,0]=4 232 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [0,1,0,0,0,0|3,0,0]=4 233 B9R0.14 CCN(COC)CC(=O)O 269956a_100000746405_100000766300 [0,1,0,0,0,0|3,0,0]=4 234 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [0,1,0,0,0,0|3,0,0]=4 235 B9R0.14 CC[C@H](CC(=O)O)NCF 269956a_100016995926_100015361967 [0,1,0,0,0,0|3,0,0]=4 236 B9R0.14 COCC(CO)NC(=O)C 240690a_100000724102_100015343762 [0,1,0,0,0,0|3,0,0]=4 237 B9R0.14 COCC(CO)NC(=O)C 527a_100000724102_100103153847 [0,1,0,0,0,0|3,0,0]=4 238 B9R0.26 C#CC(=O)CC(CC)CC 1458a_100000211873_100011215472 [0,1,0,0,0,0|2,0,1]=4 239 B9R0.26 C#CC(=O)CC(OC)OC 1458a_100000211873_100000751394 [0,1,0,0,0,0|0,0,1]=2 240 B9R0.26 C=CC(=O)CC(CC)CC 1458a_100000185746_100011215472 [0,1,0,0,0,0|2,0,1]=4 241 B9R0.26 C=CC(=O)CC(OC)OC 1458a_100000185746_100000751394 [0,1,0,0,0,0|0,0,1]=2 242 B9R0.26 CCC(=O)CC(CC)CC 1458a_100000210414_100011215472 [0,1,0,0,0,0|2,0,0]=3 243 B9R0.26 CCC(=O)CC(OC)OC 1458a_100000082724_100000210202 [0,1,0,0,0,0|0,0,0]=1 244 B9R0.26 CCC(=O)CC(OC)OC 1458a_100000210414_100000751394 [0,1,0,0,0,0|0,0,0]=1 245 B9R0.26 CCC(=O)CN(CC)CC 1458a_100000758533_100000210202 [0,1,0,0,0,0|3,0,0]=4 246 B9R0.26 CCC(=O)CN(CC)CC 269956a_100000042499_100000747405 [0,1,0,0,0,0|3,0,0]=4 247 B9R0.26 CCC(=O)CN(CC)CC 269982a_100000724800_100000747405 [0,1,0,0,0,0|3,0,0]=4 248 B9R0.26 CCC(=O)NC(CC)CC 11a_100000199018_100000210414 [0,1,0,0,0,0|3,0,0]=4 249 B9R0.26 CCC(=O)NC(CC)CC 1626a_100000199018_100000210414 [0,1,0,0,0,0|3,0,0]=4 250 B9R0.26 CCC(=O)NC(CC)CC 240690a_100000199018_100000210414 [0,1,0,0,0,0|3,0,0]=4 251 B9R0.26 CCC(=O)NC(CC)CC 527a_100000199018_100000210414 [0,1,0,0,0,0|3,0,0]=4 252 B9R0.26 CCC(C)CC(CC)OC 7a_200011216566_200000210301 [0,1,0,0,0,0|2,0,1]=4 253 B9R0.26 CCC(C)CC(CC)O[13CH3] 7a_200011216566_200025704644 [0,1,0,0,0,0|2,0,1]=4 254 B9R0.26 CCC(CC)CC(=O)CO 1458a_100000210174_100011215472 [0,1,0,0,0,0|2,0,0]=3 255 B9R0.26 CCC(CC)NC(=O)CO 240690a_100000199018_100000210174 [0,1,0,0,0,0|3,0,0]=4 256 B9R0.26 CCC(CC)NC(=O)CO 527a_100000199018_100000210174 [0,1,0,0,0,0|3,0,0]=4 257 B9R0.26 CCC(CC)NC(=O)NC 2708a_100000199018_106832991635 [0,1,0,0,0,0|3,0,0]=4 258 B9R0.26 CCC(CC)NC(=O)NC 2708a_100102657272_100000199018 [0,1,0,0,0,0|3,0,0]=4 259 B9R0.26 CCC(CC)NC(=O)NC 273464a_100000199018_100102657272 [0,1,0,0,0,0|3,0,0]=4 260 B9R0.26 CCC(CC)NC(=O)NC 273464a_100102657272_100000199018 [0,1,0,0,0,0|3,0,0]=4 261 B9R0.26 CCC(CC)NC(=O)NC 512a_100000199018_100102657272 [0,1,0,0,0,0|3,0,0]=4 262 B9R0.26 CCC(CC)NC(=O)NC 512a_106832991638_100000199018 [0,1,0,0,0,0|3,0,0]=4 263 B9R0.26 CCN(C)CC(OC)OC 2230a_100000225621_100000751394 [0,1,0,0,0,0|2,0,0]=3 264 B9R0.26 CCN(C)CC(OC)OC 269982a_100000225562_100000204670 [0,1,0,0,0,0|2,0,0]=3 265 B9R0.26 CCN(CC)CC(=O)CF 1458a_100000758533_100015361967 [0,1,0,0,0,0|3,0,0]=4 266 B9R0.26 CCN(CC)CC(=O)NC 11a_106832991635_100000758533 [0,1,0,0,0,0|3,0,0]=4 267 B9R0.26 CCN(CC)CC(=O)NC 1626a_100102657272_100000758533 [0,1,0,0,0,0|3,0,0]=4 268 B9R0.26 CCN(CC)CC(=O)NC 2230a_100000724800_100000183359 [0,1,0,0,0,0|3,0,0]=4 269 B9R0.26 CCN(CC)CC(=O)NC 240690a_100102657272_100000758533 [0,1,0,0,0,0|3,0,0]=4 270 B9R0.26 CCN(CC)CC(=O)NC 269956a_100000042499_100000183359 [0,1,0,0,0,0|3,0,0]=4 271 B9R0.26 CCN(CC)CC(=O)NC 269982a_100000724800_100000183359 [0,1,0,0,0,0|3,0,0]=4 272 B9R0.26 CCN(CC)CC(=O)NC 527a_100102657272_100000758533 [0,1,0,0,0,0|3,0,0]=4 273 B9R0.26 CCN(CC)CC(=O)OC 2230a_100000724800_100000747449 [0,1,0,0,0,0|3,0,0]=4 274 B9R0.26 CCN(CC)CC(=O)OC 269956a_100000042499_100000747449 [0,1,0,0,0,0|3,0,0]=4 275 B9R0.26 CCN(CC)CC(=O)OC 269982a_100000724800_100000747449 [0,1,0,0,0,0|3,0,0]=4 276 B9R0.26 CC[C@@H](CC(=O)OC)OC 7a_200015357724_200000210301 [0,1,0,0,0,0|1,0,0]=2 277 B9R0.26 CC[C@@H](CC(=O)OC)O[13CH3] 7a_200015357724_200025704644 [0,1,0,0,0,0|1,0,0]=2 278 B9R0.26 CNC(=O)CC(OC)OC 11a_106832991635_100000082724 [0,1,0,0,0,0|0,0,0]=1 279 B9R0.26 CNC(=O)CC(OC)OC 1626a_100102657272_100000082724 [0,1,0,0,0,0|0,0,0]=1 280 B9R0.26 CNC(=O)CC(OC)OC 240690a_100102657272_100000082724 [0,1,0,0,0,0|0,0,0]=1 281 B9R0.26 CNC(=O)CC(OC)OC 527a_100102657272_100000082724 [0,1,0,0,0,0|0,0,0]=1 282 B9R0.26 CNC(C)CC(OC)OC 270004a_106832991635_100000210484 [0,1,0,0,0,0|1,0,1]=3 283 B9R0.26 COC(=O)C[C@H](CCl)OC 7a_100000754131_200000210301 [0,1,0,0,0,0|2,0,0]=3 284 B9R0.26 COC(=O)C[C@H](CCl)O[13CH3] 7a_100000754131_200025704644 [0,1,0,0,0,0|2,0,0]=3 285 B9R0.26 COC(C)CC(OC)OC 7a_100011018202_200000210301 [0,1,0,0,0,0|0,0,2]=3 286 B9R0.26 COC(CC(=O)CF)OC 1458a_100000082724_100015361967 [0,1,0,0,0,0|0,0,0]=1 287 B9R0.26 COC(CC(=O)CO)OC 1458a_100000210174_100000751394 [0,1,0,0,0,0|0,0,0]=1 288 B9R0.26 COC(CC(C)O[13CH3])OC 7a_100011018202_200025704644 [0,1,0,0,0,0|0,0,2]=3 289 B9R0.26 COC(CN(C)CF)OC 269982a_100000225562_100015361967 [0,1,0,0,0,0|2,0,0]=3 290 B9R0.39 C=C(C)CC(OC)C(=C)C 34a_200000034272_200000210301 [0,1,0,0,0,0|2,0,0]=3 291 B9R0.39 C=C(C)CC(OC)C(=C)C 7a_200000034272_200000210301 [0,1,0,0,0,0|2,0,0]=3 292 B9R0.39 C=C(C)CC(O[13CH3])C(=C)C 34a_200000034272_200025704644 [0,1,0,0,0,0|2,0,0]=3 293 B9R0.39 C=C(C)CC(O[13CH3])C(=C)C 7a_200000034272_200025704644 [0,1,0,0,0,0|2,0,0]=3 294 B9R0.39 CC(C)C(CC(=O)O)N[13CH3] 269956a_100000695669_200025704644 [0,1,0,0,0,0|3,0,0]=4 295 B9R0.39 CC(C)CC(O[13CH3])C(C)C 34a_200011219802_200025704644 [0,1,0,0,0,0|2,0,1]=4 296 B9R0.39 CC(C)CC(O[13CH3])C(C)C 7a_200011219802_200025704644 [0,1,0,0,0,0|2,0,1]=4 297 B9R0.39 CCC(NC(=O)C)C(=O)C 1458a_100000195128_200000210301 [0,1,0,0,0,0|3,0,0]=4 298 B9R0.39 CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000195128_200025704644 [0,1,0,0,0,0|3,0,0]=4 299 B9R0.39 CCC(NC(=O)C)C(C)C 11a_100000745074_100015343762 [0,1,0,0,0,0|3,0,0]=4 300 B9R0.39 CCC(NC(=O)C)C(C)C 1626a_100000745074_100015343762 [0,1,0,0,0,0|3,0,0]=4 301 B9R0.39 CCC(NC(=O)C)C(C)C 240690a_100000745074_100015343762 [0,1,0,0,0,0|3,0,0]=4 302 B9R0.39 CCC(NC(=O)C)C(C)C 527a_100000745074_100103153847 [0,1,0,0,0,0|3,0,0]=4 303 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 11a_100161114882_100015343762 [0,1,0,0,0,0|3,0,0]=4 304 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 1626a_100161114882_100015343762 [0,1,0,0,0,0|3,0,0]=4 305 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 240690a_100161114882_100015343762 [0,1,0,0,0,0|3,0,0]=4 306 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 527a_100161114882_100103153847 [0,1,0,0,0,0|3,0,0]=4 307 B9R0.39 CNC(CC(=O)O)C(C)C 269956a_100000695669_200000210301 [0,1,0,0,0,0|3,0,0]=4 308 B9R0.39 COC(CC(C)C)C(C)C 34a_200011219802_200000210301 [0,1,0,0,0,0|2,0,1]=4 309 B9R0.39 COC(CC(C)C)C(C)C 7a_200011219802_200000210301 [0,1,0,0,0,0|2,0,1]=4 310 B9R0.41 CCC(CC)N(C)C(=O)C 11a_100000737045_100015343762 [0,1,0,0,0,0|3,0,0]=4 311 B9R0.41 CCC(CC)N(C)C(=O)C 1626a_100000737045_100015343762 [0,1,0,0,0,0|3,0,0]=4 312 B9R0.41 CCC(CC)N(C)C(=O)C 240690a_100000737045_100015343762 [0,1,0,0,0,0|3,0,0]=4 313 B9R0.41 CCC(CC)N(C)C(=O)C 527a_100000737045_100103153847 [0,1,0,0,0,0|3,0,0]=4 314 B9R0.41 CCN(CC)C(C)C(=O)C 2230a_100000724800_100009814033 [0,1,0,0,0,0|3,0,0]=4 315 B9R0.41 CCN(CC)C(C)C(=O)C 269956a_100000042499_100009814033 [0,1,0,0,0,0|3,0,0]=4 316 B9R0.41 CCN(CC)C(C)C(=O)C 269982a_100000724800_100009814033 [0,1,0,0,0,0|3,0,0]=4 317 B9R0.41 COC(OC)C(=O)C(C)C 1458a_100000046285_100000210206 [0,1,0,0,0,0|1,0,2]=4 318 B9R0.41 COC(OC)C(=O)N(C)C 11a_100102631434_100000046285 [0,1,0,0,0,0|2,0,1]=4 319 B9R0.41 COC(OC)C(=O)N(C)C 240690a_100102631434_100000046285 [0,1,0,0,0,0|2,0,1]=4 320 B9R0.41 COC(OC)C(=O)N(C)C 527a_100102631434_100000046285 [0,1,0,0,0,0|2,0,1]=4 321 B9R0.41 COC(OC)C(C)N(C)C 2230a_100012024948_200000210301 [0,1,0,0,0,0|2,0,0]=3 322 B9R0.41 COC(OC)C(C)N(C)C 269982a_100012024948_200000210301 [0,1,0,0,0,0|2,0,0]=3 323 B9R0.41 COC(OC)C(C)N(C)C 270004a_100102631434_100000211384 [0,1,0,0,0,0|2,0,0]=3 324 B9R0.41 COC(OC)C(C)N(C)[13CH3] 2230a_100012024948_200025704644 [0,1,0,0,0,0|2,0,0]=3 325 B9R0.41 COC(OC)C(C)N(C)[13CH3] 269982a_100012024948_200025704644 [0,1,0,0,0,0|2,0,0]=3 326 B9R0.63 CCC(C)(CC(C)C)OC 7a_200011215086_200000210301 [0,1,0,0,0,0|2,0,1]=4 327 B9R0.63 CCC(C)(CC(C)C)O[13CH3] 7a_200011215086_200025704644 [0,1,0,0,0,0|2,0,1]=4 328 B9R0.63 COC(C)(CN(C)C)OC 2230a_100102631434_100000064154 [0,1,0,0,0,0|2,0,0]=3 329 B9R0.63 COC(C)(CN(C)C)OC 269982a_100102631434_100000766008 [0,1,0,0,0,0|2,0,0]=3 330 B9R0.63 COP(=O)(CC(=O)C)OC 1458a_100000034275_200000210301 [0,1,0,0,0,0|1,0,0]=2 331 B9R0.63 COP(=O)(CC(=O)[13CH3])OC 1458a_100000034275_200025704644 [0,1,0,0,0,0|1,0,0]=2 332 B9R0.63 CO[Si](C)(CN(C)C)OC 269982a_100102631434_100000067953 [0,1,0,0,0,0|2,1,0]=4 333 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,0,0,1,0,0|2,0,1]=4 334 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,0,0,1,0,0|1,0,2]=4 335 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,0,0,1,0,0|1,0,2]=4 336 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,0,0,1,0,0|2,0,1]=4 337 B9R1.2 CCC1CN(CCO1)C 2230a_100000736320_200000210301 [0,0,0,1,0,0|3,0,0]=4 338 B9R1.2 CCC1CN(CCO1)C 269982a_100000736320_200000210301 [0,0,0,1,0,0|3,0,0]=4 339 B9R1.2 CCC1CN(CCO1)C 34a_100000736320_200000210301 [0,0,0,1,0,0|3,0,0]=4 340 B9R1.2 CCC1CN(CCO1)[13CH3] 2230a_100000736320_200025704644 [0,0,0,1,0,0|3,0,0]=4 341 B9R1.2 CCC1CN(CCO1)[13CH3] 269982a_100000736320_200025704644 [0,0,0,1,0,0|3,0,0]=4 342 B9R1.2 CCC1CN(CCO1)[13CH3] 34a_100000736320_200025704644 [0,0,0,1,0,0|3,0,0]=4 343 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,0,0,1,0,0|3,0,0]=4 344 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,0,0,1,0,0|3,0,0]=4 345 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,0,0,1,0,0|2,0,1]=4 346 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,0,0,1,0,0|1,0,0]=2 347 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,0,0,1,0,0|2,0,1]=4 348 B9R1.2 COC1CCCN(C1)C 2230a_100000695604_200000210301 [0,0,0,1,0,0|3,0,0]=4 349 B9R1.2 COC1CCCN(C1)C 269982a_100000695604_200000210301 [0,0,0,1,0,0|3,0,0]=4 350 B9R1.2 COC1CCCN(C1)C 34a_100000695604_200000210301 [0,0,0,1,0,0|3,0,0]=4 351 B9R1.2 COC1CCCN(C1)[13CH3] 2230a_100000695604_200025704644 [0,0,0,1,0,0|3,0,0]=4 352 B9R1.2 COC1CCCN(C1)[13CH3] 269982a_100000695604_200025704644 [0,0,0,1,0,0|3,0,0]=4 353 B9R1.2 COC1CCCN(C1)[13CH3] 34a_100000695604_200025704644 [0,0,0,1,0,0|3,0,0]=4 354 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,0,0,1,0,0|1,0,2]=4 355 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,0,0,1,0,0|1,0,2]=4 356 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,0,0,1,0,0|2,0,0]=3 357 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,0,0,1,0,0|3,0,0]=4 358 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,0,0,1,0,0|3,0,0]=4 359 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,0,0,1,0,0|1,0,0]=2 360 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,0,0,1,0,0|2,0,0]=3 361 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,1,0,0|2,0,1]=4 362 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,0,0,1,0,0|2,0,1]=4 363 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,1,0,0|2,0,0]=3 364 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,1,0,0|2,0,0]=3 365 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,1,0,0|1,0,0]=2 366 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,0,1,0,0|3,0,0]=4 367 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,0,1,0,0|3,0,0]=4 368 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [0,0,0,1,0,0|0,0,0]=1 369 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,1,0,0|3,0,0]=4 370 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,1,0,0|3,0,0]=4 371 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,1,0,0|3,0,0]=4 372 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,1,0,0|3,0,0]=4 373 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,1,0,0|3,0,0]=4 374 B9R1.13 CN(C)CC1CCCO1 2230a_100102631434_100000203698 [0,0,0,1,0,0|3,0,0]=4 375 B9R1.13 CN(C)CC1CCCO1 2230a_100102946541_200000210301 [0,0,0,1,0,0|3,0,0]=4 376 B9R1.13 CN(C)CC1CCCO1 269982a_100102631434_100000183445 [0,0,0,1,0,0|3,0,0]=4 377 B9R1.13 CN(C)CC1CCCO1 269982a_100102946541_200000210301 [0,0,0,1,0,0|3,0,0]=4 378 B9R1.13 CN(C)CC1CCCO1 34a_100102946541_200000210301 [0,0,0,1,0,0|3,0,0]=4 379 B9R1.13 CN(C)CC1OCCO1 2230a_100102631434_100000755774 [0,0,0,1,0,0|2,0,0]=3 380 B9R1.13 CN(C)CC1OCCO1 2230a_200000032744_200000210301 [0,0,0,1,0,0|2,0,0]=3 381 B9R1.13 CN(C)CC1OCCO1 269982a_100102631434_100000755774 [0,0,0,1,0,0|2,0,0]=3 382 B9R1.13 CN(C)CC1OCCO1 269982a_200000032744_200000210301 [0,0,0,1,0,0|2,0,0]=3 383 B9R1.13 CN(C)CC1OCCO1 34a_200000032744_200000210301 [0,0,0,1,0,0|2,0,0]=3 384 B9R1.13 CN([13CH3])CC1CCCO1 2230a_100102946541_200025704644 [0,0,0,1,0,0|3,0,0]=4 385 B9R1.13 CN([13CH3])CC1CCCO1 269982a_100102946541_200025704644 [0,0,0,1,0,0|3,0,0]=4 386 B9R1.13 CN([13CH3])CC1CCCO1 34a_100102946541_200025704644 [0,0,0,1,0,0|3,0,0]=4 387 B9R1.13 CN([13CH3])CC1OCCO1 2230a_200000032744_200025704644 [0,0,0,1,0,0|2,0,0]=3 388 B9R1.13 CN([13CH3])CC1OCCO1 269982a_200000032744_200025704644 [0,0,0,1,0,0|2,0,0]=3 389 B9R1.13 CN([13CH3])CC1OCCO1 34a_200000032744_200025704644 [0,0,0,1,0,0|2,0,0]=3 390 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,1,0,0|2,0,1]=4 391 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,0,0,1,0,0|2,0,1]=4 392 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,1,0,0|2,0,0]=3 393 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,0,1,0,0|3,0,0]=4 394 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,1,0,0|3,0,0]=4 395 B9R1.128 CC(=O)CC1(CC1)C#N 1458a_100000070787_100000695377 [0,0,0,1,0,0|3,0,0]=4 396 B9R1.128 CCC1(CC1)NC(=O)C 11a_100000732774_100015343762 [0,0,0,1,0,0|3,0,0]=4 397 B9R1.128 CCC1(CC1)NC(=O)C 1626a_100000732774_100015343762 [0,0,0,1,0,0|3,0,0]=4 398 B9R1.128 CCC1(CC1)NC(=O)C 240690a_100000732774_100015343762 [0,0,0,1,0,0|3,0,0]=4 399 B9R1.128 CCC1(CC1)NC(=O)C 527a_100000732774_100103153847 [0,0,0,1,0,0|3,0,0]=4 400 B9R1.128 CCC1(CO1)CC(=O)C 1458a_100000070787_200000139556 [0,0,0,1,0,0|1,0,0]=2 401 B9R1.128 CCC1(CO1)CN(C)C 269982a_100102631434_200000139556 [0,0,0,1,0,0|3,0,0]=4 402 B9R1.133 COC1CCS(=O)(=O)C1 34a_100000186101_200000210301 [0,0,0,1,0,0|3,0,0]=4 403 B9R1.133 COC1CCS(=O)(=O)C1 7a_100000186101_200000210301 [0,0,0,1,0,0|3,0,0]=4 404 B9R1.133 [13CH3]OC1CCS(=O)(=O)C1 34a_100000186101_200025704644 [0,0,0,1,0,0|3,0,0]=4 405 B9R1.133 [13CH3]OC1CCS(=O)(=O)C1 7a_100000186101_200025704644 [0,0,0,1,0,0|3,0,0]=4 406 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,0,0,0,1,0|2,0,0]=3 407 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,0,0,0,1,0|2,0,0]=3 408 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,0,0,0,1,0|2,0,0]=3 409 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,0,0,0,1,0|3,0,0]=4 410 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,0,0,0,1,0|3,0,0]=4 411 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,0,0,0,1,0|3,0,0]=4 412 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,0,0,0,1,0|3,0,0]=4 413 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,0,0,0,1,0|3,0,0]=4 414 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,0,0,0,1,0|3,0,0]=4 415 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,0,0,0,1,0|3,0,0]=4 416 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,0,0,0,1,0|1,0,0]=2 417 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,0,0,0,1,0|2,0,0]=3 418 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,0,0,0,1,0|1,0,0]=2 419 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,0,0,0,1,0|2,0,1]=4 420 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,0,0,0,1,0|2,0,1]=4 421 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,0,0,0,1,0|2,0,1]=4 422 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,0,0,0,1,0|2,0,1]=4 423 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,0,0,0,1,0|2,1,0]=4 424 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,0,0,0,1,0|2,1,0]=4 425 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,0,0,0,1,0|2,1,0]=4 426 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,0,0,0,1,0|2,1,0]=4 427 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,0,0,0,1,0|3,0,0]=4 428 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,0,0,0,1,0|3,0,0]=4 429 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,0,0,0,1,0|3,0,0]=4 430 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,0,0,0,1,0|3,0,0]=4 431 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,0,0,0,1,0|3,0,0]=4 432 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,0,0,0,1,0|3,0,0]=4 433 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,0,0,0,1,0|0,0,0]=1 434 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,0,0,0,1,0|0,0,0]=1 435 B9R0.43 C=C(C)CNC(CC)CC 2230a_100000199018_100000748629 [0,0,0,0,0,1|3,0,0]=4 436 B9R0.43 C=C(C)COC(CC)CC 7a_100000688536_100000748629 [0,0,0,0,0,1|3,0,0]=4 437 B9R0.43 C=C(C)CSC(CC)CC 62a_100000210505_100000211660 [0,0,0,0,0,1|3,0,0]=4 438 B9R0.43 C=C(C)CSC(CC)CC 62a_100000748629_100000210505 [0,0,0,0,0,1|3,0,0]=4 439 B9R0.43 CC(=O)OCC(CCl)O[13CH3] 7a_200000139349_200025704644 [0,0,0,0,0,1|2,0,0]=3 440 B9R0.43 CCC(CC)CNC(=O)C 11a_100102946423_100015343762 [0,0,0,0,0,1|2,0,0]=3 441 B9R0.43 CCC(CC)CNC(=O)C 1626a_100102946423_100015343762 [0,0,0,0,0,1|2,0,0]=3 442 B9R0.43 CCC(CC)CNC(=O)C 240690a_100102946423_100015343762 [0,0,0,0,0,1|2,0,0]=3 443 B9R0.43 CCC(CC)CNC(=O)C 527a_100102946423_100103153847 [0,0,0,0,0,1|2,0,0]=3 444 B9R0.43 CCC(CC)NCC(=O)N 2230a_100000199018_100000747473 [0,0,0,0,0,1|3,0,0]=4 445 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [0,0,0,0,0,1|3,0,0]=4 446 B9R0.43 CCC(CC)NNC(=O)C 22a_100000756293_100000070787 [0,0,0,0,0,1|3,0,0]=4 447 B9R0.43 CCC(CC)OCC(=O)C 1458a_100012002705_200000210301 [0,0,0,0,0,1|2,0,0]=3 448 B9R0.43 CCC(CC)OCC(=O)N 7a_100000688536_100000187820 [0,0,0,0,0,1|3,0,0]=4 449 B9R0.43 CCC(CC)OCC(=O)[13CH3] 1458a_100012002705_200025704644 [0,0,0,0,0,1|2,0,0]=3 450 B9R0.43 CCC(CC)SCC(=O)N 62a_100000210505_100000747473 [0,0,0,0,0,1|3,0,0]=4 451 B9R0.43 CCC(CC)SCC(=O)N 62a_100000747473_100000210505 [0,0,0,0,0,1|3,0,0]=4 452 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100000210505_100020667443 [0,0,0,0,0,1|3,0,0]=4 453 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100020667443_100000210505 [0,0,0,0,0,1|3,0,0]=4 454 B9R0.43 CCC(CCC(C)C)OC 34a_100011216567_200000210301 [0,0,0,0,0,1|2,0,1]=4 455 B9R0.43 CCC(CCC(C)C)OC 7a_100011216567_200000210301 [0,0,0,0,0,1|2,0,1]=4 456 B9R0.43 CCC(CCC(C)C)O[13CH3] 34a_100011216567_200025704644 [0,0,0,0,0,1|2,0,1]=4 457 B9R0.43 CCC(CCC(C)C)O[13CH3] 7a_100011216567_200025704644 [0,0,0,0,0,1|2,0,1]=4 458 B9R0.43 CCC(CNC(=O)C)OC 11a_100000731041_100015343762 [0,0,0,0,0,1|1,0,0]=2 459 B9R0.43 CCC(CNC(=O)C)OC 1626a_100000731041_100015343762 [0,0,0,0,0,1|1,0,0]=2 460 B9R0.43 CCC(CNC(=O)C)OC 240690a_100000731041_100015343762 [0,0,0,0,0,1|1,0,0]=2 461 B9R0.43 CCC(CNC(=O)C)OC 527a_100000731041_100103153847 [0,0,0,0,0,1|1,0,0]=2 462 B9R0.43 CCC(COC(C)C)OC 34a_100011934954_100000210206 [0,0,0,0,0,1|2,0,1]=4 463 B9R0.43 CCC(COC(C)C)OC 7a_100011934954_100000210206 [0,0,0,0,0,1|2,0,1]=4 464 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000070787_100000700428 [0,0,0,0,0,1|3,0,0]=4 465 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000750416_200000210301 [0,0,0,0,0,1|3,0,0]=4 466 B9R0.43 CCN(CC)CCC(=O)C 269956a_100000042499_100000053229 [0,0,0,0,0,1|3,0,0]=4 467 B9R0.43 CCN(CC)CCC(=O)C 269982a_100000724800_100000053229 [0,0,0,0,0,1|3,0,0]=4 468 B9R0.43 CCN(CC)CCC(=O)[13CH3] 1458a_100000750416_200025704644 [0,0,0,0,0,1|3,0,0]=4 469 B9R0.43 CCN(CC)COC(=O)C 269956a_100000042499_100000076356 [0,0,0,0,0,1|3,0,0]=4 470 B9R0.43 CCN(CC)COC(=O)C 269982a_100000724800_100000076356 [0,0,0,0,0,1|3,0,0]=4 471 B9R0.43 COC(CCC(=O)C)OC 1458a_100000070787_100000139399 [0,0,0,0,0,1|0,0,0]=1 472 B9R0.43 COC(CCC(=O)C)OC 1458a_200000082759_200000210301 [0,0,0,0,0,1|0,0,0]=1 473 B9R0.43 COC(CCC(=O)[13CH3])OC 1458a_200000082759_200025704644 [0,0,0,0,0,1|0,0,0]=1 474 B9R0.43 COC(CCN(C)C)OC 2230a_100102631434_100009813347 [0,0,0,0,0,1|2,0,0]=3 475 B9R0.43 COC(CCN(C)C)OC 269982a_100102631434_100000139399 [0,0,0,0,0,1|2,0,0]=3 476 B9R0.43 COC(CCl)COC(=O)C 7a_200000139349_200000210301 [0,0,0,0,0,1|2,0,0]=3 477 B9R0.43 COC(CNC(=O)C)OC 11a_100000210479_100015343762 [0,0,0,0,0,1|0,0,0]=1 478 B9R0.43 COC(CNC(=O)C)OC 1626a_100000210479_100015343762 [0,0,0,0,0,1|0,0,0]=1 479 B9R0.43 COC(CNC(=O)C)OC 240690a_100000210479_100015343762 [0,0,0,0,0,1|0,0,0]=1 480 B9R0.43 COC(CNC(=O)C)OC 527a_100000210479_100103153847 [0,0,0,0,0,1|0,0,0]=1 481 B9R0.43 COC(CNC(C)C)OC 2230a_100138425928_100000751394 [0,0,0,0,0,1|1,0,1]=3 482 B9R0.43 COC(CNC(C)C)OC 34a_100138425928_100000211822 [0,0,0,0,0,1|1,0,1]=3 483 B9R0.43 COC(COC(C)C)OC 34a_100000212225_100000211822 [0,0,0,0,0,1|1,0,1]=3 484 B9R0.43 COC(COC(C)C)OC 34a_100011216393_100000210206 [0,0,0,0,0,1|1,0,1]=3 485 B9R0.43 COC(CSC(C)C)OC 62a_100000210206_100000751394 [0,0,0,0,0,1|1,0,1]=3 486 B9R0.43 COC(CSC(C)C)OC 62a_100000751394_100000210206 [0,0,0,0,0,1|1,0,1]=3 487 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [2,0,0,0,0,0|0,0,2]=4 488 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [2,0,0,0,0,0|0,0,2]=4 489 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [2,0,0,0,0,0|0,0,2]=4 490 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [2,0,0,0,0,0|0,0,2]=4 491 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [2,0,0,0,0,0|0,0,1]=3 492 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [2,0,0,0,0,0|0,0,1]=3 493 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [2,0,0,0,0,0|0,0,1]=3 494 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [2,0,0,0,0,0|0,0,1]=3 495 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [2,0,0,0,0,0|0,0,1]=3 496 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [2,0,0,0,0,0|0,0,1]=3 497 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [2,0,0,0,0,0|0,0,2]=4 498 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [2,0,0,0,0,0|0,0,2]=4 499 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [2,0,0,0,0,0|1,0,1]=4 500 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [2,0,0,0,0,0|2,0,0]=4 501 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [2,0,0,0,0,0|2,0,0]=4 502 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [2,0,0,0,0,0|2,0,0]=4 503 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [2,0,0,0,0,0|2,0,0]=4 504 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [2,0,0,0,0,0|2,0,0]=4 505 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [2,0,0,0,0,0|2,0,0]=4 506 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [2,0,0,0,0,0|2,0,0]=4 507 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [2,0,0,0,0,0|2,0,0]=4 508 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [2,0,0,0,0,0|2,0,0]=4 509 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [2,0,0,0,0,0|2,0,0]=4 510 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [2,0,0,0,0,0|2,0,0]=4 511 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [2,0,0,0,0,0|2,0,0]=4 512 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [2,0,0,0,0,0|2,0,0]=4 513 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [2,0,0,0,0,0|2,0,0]=4 514 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [2,0,0,0,0,0|2,0,0]=4 515 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [2,0,0,0,0,0|2,0,0]=4 516 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [2,0,0,0,0,0|2,0,0]=4 517 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [2,0,0,0,0,0|2,0,0]=4 518 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [2,0,0,0,0,0|2,0,0]=4 519 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [2,0,0,0,0,0|2,0,0]=4 520 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [2,0,0,0,0,0|2,0,0]=4 521 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [2,0,0,0,0,0|1,0,1]=4 522 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [2,0,0,0,0,0|1,0,1]=4 523 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [2,0,0,0,0,0|1,0,1]=4 524 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [2,0,0,0,0,0|1,0,1]=4 525 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [2,0,0,0,0,0|1,0,1]=4 526 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [2,0,0,0,0,0|1,0,1]=4 527 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [2,0,0,0,0,0|0,0,1]=3 528 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [2,0,0,0,0,0|0,0,1]=3 529 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [2,0,0,0,0,0|0,0,1]=3 530 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [2,0,0,0,0,0|0,0,1]=3 531 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [2,0,0,0,0,0|0,0,1]=3 532 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [2,0,0,0,0,0|0,1,1]=4 533 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [2,0,0,0,0,0|0,1,1]=4 534 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [2,0,0,0,0,0|0,1,1]=4 535 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [2,0,0,0,0,0|0,1,1]=4 536 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [2,0,0,0,0,0|2,0,0]=4 537 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [2,0,0,0,0,0|2,0,0]=4 538 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [2,0,0,0,0,0|1,0,1]=4 539 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [2,0,0,0,0,0|1,0,1]=4 540 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [2,0,0,0,0,0|2,0,0]=4 541 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [2,0,0,0,0,0|2,0,0]=4 542 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [2,0,0,0,0,0|2,0,0]=4 543 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [2,0,0,0,0,0|2,0,0]=4 544 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [2,0,0,0,0,0|2,0,0]=4 545 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [2,0,0,0,0,0|2,0,0]=4 546 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [2,0,0,0,0,0|2,0,0]=4 547 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [2,0,0,0,0,0|2,0,0]=4 548 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [2,0,0,0,0,0|2,0,0]=4 549 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [2,0,0,0,0,0|2,0,0]=4 550 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [2,0,0,0,0,0|2,0,0]=4 551 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [2,0,0,0,0,0|2,0,0]=4 552 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [2,0,0,0,0,0|2,0,0]=4 553 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [2,0,0,0,0,0|2,0,0]=4 554 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [2,0,0,0,0,0|2,0,0]=4 555 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [2,0,0,0,0,0|1,0,0]=3 556 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [2,0,0,0,0,0|2,0,0]=4 557 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [2,0,0,0,0,0|1,0,1]=4 558 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [2,0,0,0,0,0|0,0,2]=4 559 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [2,0,0,0,0,0|1,0,0]=3 560 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [2,0,0,0,0,0|1,0,0]=3 561 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [2,0,0,0,0,0|1,0,0]=3 562 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [2,0,0,0,0,0|1,1,0]=4 563 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [2,0,0,0,0,0|1,1,0]=4 564 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [2,0,0,0,0,0|1,1,0]=4 565 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [2,0,0,0,0,0|1,1,0]=4 566 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [2,0,0,0,0,0|2,0,0]=4 567 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [2,0,0,0,0,0|1,0,0]=3 568 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [2,0,0,0,0,0|1,0,0]=3 569 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [2,0,0,0,0,0|1,0,0]=3 570 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [2,0,0,0,0,0|0,0,2]=4 571 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [2,0,0,0,0,0|2,0,0]=4 572 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [2,0,0,0,0,0|2,0,0]=4 573 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [2,0,0,0,0,0|2,0,0]=4 574 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [2,0,0,0,0,0|2,0,0]=4 575 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [2,0,0,0,0,0|2,0,0]=4 576 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [2,0,0,0,0,0|2,0,0]=4 577 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [2,0,0,0,0,0|0,0,2]=4 578 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [2,0,0,0,0,0|0,0,2]=4 579 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [2,0,0,0,0,0|0,0,0]=2 580 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [2,0,0,0,0,0|0,0,0]=2 581 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [2,0,0,0,0,0|0,0,0]=2 582 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [2,0,0,0,0,0|2,0,0]=4 583 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [2,0,0,0,0,0|1,0,0]=3 584 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [2,0,0,0,0,0|0,0,0]=2 585 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [2,0,0,0,0,0|1,0,0]=3 586 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [2,0,0,0,0,0|1,0,0]=3 587 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [2,0,0,0,0,0|1,0,0]=3 588 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [2,0,0,0,0,0|1,0,0]=3 589 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [2,0,0,0,0,0|1,0,0]=3 590 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [2,0,0,0,0,0|0,0,0]=2 591 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [2,0,0,0,0,0|2,0,0]=4 592 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [2,0,0,0,0,0|2,0,0]=4 593 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [2,0,0,0,0,0|2,0,0]=4 594 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [2,0,0,0,0,0|2,0,0]=4 595 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [2,0,0,0,0,0|2,0,0]=4 596 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [2,0,0,0,0,0|2,0,0]=4 597 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [2,0,0,0,0,0|2,0,0]=4 598 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [2,0,0,0,0,0|2,0,0]=4 599 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [2,0,0,0,0,0|2,0,0]=4 600 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [2,0,0,0,0,0|2,0,0]=4 601 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [2,0,0,0,0,0|2,0,0]=4 602 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [2,0,0,0,0,0|2,0,0]=4 603 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [2,0,0,0,0,0|2,0,0]=4 604 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [2,0,0,0,0,0|2,0,0]=4 605 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [2,0,0,0,0,0|2,0,0]=4 606 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [2,0,0,0,0,0|2,0,0]=4 607 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [2,0,0,0,0,0|2,0,0]=4 608 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [2,0,0,0,0,0|1,0,0]=3 609 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [2,0,0,0,0,0|2,0,0]=4 610 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [2,0,0,0,0,0|2,0,0]=4 611 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [2,0,0,0,0,0|2,0,0]=4 612 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [2,0,0,0,0,0|0,0,0]=2 613 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [2,0,0,0,0,0|2,0,0]=4 614 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [2,0,0,0,0,0|2,0,0]=4 615 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [2,0,0,0,0,0|1,0,0]=3 616 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|1,0,1]=4 617 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|1,0,1]=4 618 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|1,0,1]=4 619 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|1,0,1]=4 620 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [2,0,0,0,0,0|1,0,1]=4 621 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [2,0,0,0,0,0|1,0,1]=4 622 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 623 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|2,0,0]=4 624 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 625 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|1,0,0]=3 626 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|1,0,0]=3 627 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|1,0,0]=3 628 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|1,1,0]=4 629 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|1,1,0]=4 630 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|1,1,0]=4 631 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|1,1,0]=4 632 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|1,0,1]=4 633 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|1,0,1]=4 634 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|1,0,1]=4 635 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [2,0,0,0,0,0|1,0,1]=4 636 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [2,0,0,0,0,0|1,0,1]=4 637 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [2,0,0,0,0,0|2,0,0]=4 638 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [2,0,0,0,0,0|2,0,0]=4 639 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|2,0,0]=4 640 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|2,0,0]=4 641 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|0,0,0]=2 642 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|0,0,0]=2 643 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|0,1,0]=3 644 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|0,1,0]=3 645 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|1,1,0]=4 646 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|1,1,0]=4 647 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [2,0,0,0,0,0|1,0,1]=4 648 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [2,0,0,0,0,0|1,0,1]=4 649 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [2,0,0,0,0,0|1,0,1]=4 650 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|1,0,1]=4 651 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|1,0,1]=4 652 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|1,0,1]=4 653 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,0]=3 654 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,0]=3 655 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,0]=3 656 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 657 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 658 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 659 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|2,0,0]=4 660 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|2,0,0]=4 661 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|2,0,0]=4 662 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|2,0,0]=4 663 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|2,0,0]=4 664 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|2,0,0]=4 665 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,0]=3 666 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 667 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 668 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 669 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|2,0,0]=4 670 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [2,0,0,0,0,0|0,0,2]=4 671 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [2,0,0,0,0,0|0,0,2]=4 672 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [2,0,0,0,0,0|1,0,1]=4 673 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [2,0,0,0,0,0|1,0,1]=4 674 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|0,0,0]=2 675 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|0,0,0]=2 676 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|0,0,0]=2 677 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|0,0,0]=2 678 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|1,0,0]=3 679 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|1,0,0]=3 680 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|1,0,0]=3 681 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|0,0,0]=2 682 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [2,0,0,0,0,0|1,0,1]=4 683 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [2,0,0,0,0,0|1,0,1]=4 684 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [2,0,0,0,0,0|1,0,1]=4 685 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [2,0,0,0,0,0|1,0,1]=4 686 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [2,0,0,0,0,0|0,0,2]=4 687 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [2,0,0,0,0,0|2,0,0]=4 688 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [2,0,0,0,0,0|2,0,0]=4 689 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [2,0,0,0,0,0|2,0,0]=4 690 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [2,0,0,0,0,0|2,0,0]=4 691 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [2,0,0,0,0,0|2,0,0]=4 692 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [2,0,0,0,0,0|2,0,0]=4 693 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [2,0,0,0,0,0|1,0,1]=4 694 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|1,0,0]=3 695 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|0,1,0]=3 696 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|0,1,0]=3 697 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|0,1,0]=3 698 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|0,1,0]=3 699 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|1,1,0]=4 700 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|1,1,0]=4 701 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|0,1,0]=3 702 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|1,1,0]=4 703 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|1,1,0]=4 704 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [2,0,0,0,0,0|1,0,1]=4 705 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|2,0,0]=4 706 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|1,0,0]=3 707 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|1,0,0]=3 708 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|1,1,0]=4 709 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|1,1,0]=4 710 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [2,0,0,0,0,0|1,0,1]=4 711 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [2,0,0,0,0,0|1,0,1]=4 712 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [2,0,0,0,0,0|1,0,1]=4 713 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [2,0,0,0,0,0|1,0,1]=4 714 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [2,0,0,0,0,0|1,0,1]=4 715 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [2,0,0,0,0,0|1,0,1]=4 716 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [2,0,0,0,0,0|1,0,1]=4 717 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [2,0,0,0,0,0|1,0,1]=4 718 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [2,0,0,0,0,0|2,0,0]=4 719 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [2,0,0,0,0,0|2,0,0]=4 720 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [2,0,0,0,0,0|2,0,0]=4 721 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [2,0,0,0,0,0|2,0,0]=4 722 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [2,0,0,0,0,0|1,0,0]=3 723 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [2,0,0,0,0,0|1,0,0]=3 724 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [2,0,0,0,0,0|1,1,0]=4 725 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [2,0,0,0,0,0|1,1,0]=4 726 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [2,0,0,0,0,0|1,1,0]=4 727 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [2,0,0,0,0,0|1,1,0]=4 728 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [2,0,0,0,0,0|2,0,0]=4 729 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [1,1,0,0,0,0|2,0,0]=4 730 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 34a_200000034949_200025704644 [1,1,0,0,0,0|2,0,0]=4 731 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 7a_200000034949_200025704644 [1,1,0,0,0,0|2,0,0]=4 732 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [1,1,0,0,0,0|2,0,0]=4 733 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [1,1,0,0,0,0|2,0,0]=4 734 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [1,1,0,0,0,0|2,0,0]=4 735 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [1,1,0,0,0,0|2,0,0]=4 736 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [1,1,0,0,0,0|2,0,0]=4 737 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [1,1,0,0,0,0|2,0,0]=4 738 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [1,1,0,0,0,0|2,0,0]=4 739 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [1,1,0,0,0,0|2,0,0]=4 740 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [1,1,0,0,0,0|0,0,2]=4 741 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [1,1,0,0,0,0|0,0,2]=4 742 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [1,1,0,0,0,0|0,0,2]=4 743 B8R0.2 COC(C)C(C)[N+](=O)[O-] 34a_200000034949_200000210301 [1,1,0,0,0,0|2,0,0]=4 744 B8R0.2 COC(C)C(C)[N+](=O)[O-] 7a_200000034949_200000210301 [1,1,0,0,0,0|2,0,0]=4 745 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [1,1,0,0,0,0|1,0,0]=3 746 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [1,1,0,0,0,0|1,0,0]=3 747 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [1,1,0,0,0,0|2,0,0]=4 748 B8R0.5 C=C(C)CN(C)COC 2230a_100000225649_100000766300 [1,1,0,0,0,0|2,0,0]=4 749 B8R0.5 C=C(C)CN(C)COC 269982a_100000225649_100000766300 [1,1,0,0,0,0|2,0,0]=4 750 B8R0.5 CC(=CC(C)OCF)C 34a_100000717055_100015361967 [1,1,0,0,0,0|1,0,1]=4 751 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,1,0,0,0,0|2,0,0]=4 752 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,1,0,0,0,0|2,0,0]=4 753 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [1,1,0,0,0,0|1,1,0]=4 754 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [1,1,0,0,0,0|1,1,0]=4 755 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [1,1,0,0,0,0|1,0,1]=4 756 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [1,1,0,0,0,0|1,0,1]=4 757 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|1,0,0]=3 758 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|1,0,0]=3 759 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|1,0,0]=3 760 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 761 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 762 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 763 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|2,0,0]=4 764 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,1,0,0,0,0|0,0,2]=4 765 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,1,0,0,0,0|0,0,2]=4 766 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,1,0,0,0,0|0,0,2]=4 767 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [1,1,0,0,0,0|1,0,1]=4 768 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [1,1,0,0,0,0|1,0,1]=4 769 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [1,1,0,0,0,0|1,0,1]=4 770 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [1,1,0,0,0,0|1,0,1]=4 771 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|0,1,0]=3 772 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|0,1,0]=3 773 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [1,1,0,0,0,0|1,1,0]=4 774 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [1,1,0,0,0,0|1,1,0]=4 775 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|2,0,0]=4 776 B8R0.5 COCC(O)CN(C)C 2230a_100000739405_200000210301 [1,1,0,0,0,0|2,0,0]=4 777 B8R0.5 COCC(O)CN(C)C 269982a_100000739405_200000210301 [1,1,0,0,0,0|2,0,0]=4 778 B8R0.5 COCC(O)CN(C)[13CH3] 2230a_100000739405_200025704644 [1,1,0,0,0,0|2,0,0]=4 779 B8R0.5 COCC(O)CN(C)[13CH3] 269982a_100000739405_200025704644 [1,1,0,0,0,0|2,0,0]=4 780 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [1,1,0,0,0,0|2,0,0]=4 781 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [1,1,0,0,0,0|2,0,0]=4 782 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,1,0,0,0,0|1,0,0]=3 783 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,1,0,0,0,0|1,0,0]=3 784 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,1,0,0,0,0|1,0,0]=3 785 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,1,0,0,0,0|1,0,0]=3 786 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|2,0,0]=4 787 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [1,1,0,0,0,0|1,0,1]=4 788 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [1,1,0,0,0,0|1,0,1]=4 789 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [1,1,0,0,0,0|1,0,1]=4 790 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,1,0,0,0,0|1,0,1]=4 791 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,1,0,0,0,0|1,0,1]=4 792 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,1,0,0,0,0|1,0,1]=4 793 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [1,1,0,0,0,0|1,0,1]=4 794 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [1,1,0,0,0,0|1,0,1]=4 795 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [1,1,0,0,0,0|1,0,1]=4 796 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [1,1,0,0,0,0|1,0,1]=4 797 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [1,1,0,0,0,0|1,0,1]=4 798 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [1,1,0,0,0,0|1,0,1]=4 799 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|0,0,2]=4 800 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|0,0,2]=4 801 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|1,0,0]=3 802 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|1,0,0]=3 803 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|1,0,0]=3 804 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|1,0,0]=3 805 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,1,0,0,0,0|2,0,0]=4 806 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,1,0,0,0,0|2,0,0]=4 807 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|1,0,0]=3 808 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|2,0,0]=4 809 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 810 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 811 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 812 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 813 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|1,0,0]=3 814 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|1,0,0]=3 815 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|1,0,0]=3 816 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 817 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 818 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 819 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [1,1,0,0,0,0|2,0,0]=4 820 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [1,1,0,0,0,0|2,0,0]=4 821 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,1,0,0,0,0|2,0,0]=4 822 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 823 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 824 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 825 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 826 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,1,0,0,0,0|2,0,0]=4 827 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|1,0,0]=3 828 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|1,0,0]=3 829 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 830 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 831 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [1,1,0,0,0,0|2,0,0]=4 832 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [1,1,0,0,0,0|2,0,0]=4 833 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 834 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 835 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 836 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 837 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|2,0,0]=4 838 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 839 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 840 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|1,0,0]=3 841 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [1,1,0,0,0,0|0,0,2]=4 842 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|1,0,0]=3 843 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|1,0,0]=3 844 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|1,0,0]=3 845 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [1,1,0,0,0,0|0,0,2]=4 846 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [1,1,0,0,0,0|0,0,2]=4 847 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|0,0,0]=2 848 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|0,1,0]=3 849 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|0,1,0]=3 850 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|0,1,0]=3 851 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|0,1,0]=3 852 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [1,1,0,0,0,0|2,0,0]=4 853 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [1,1,0,0,0,0|1,0,0]=3 854 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [1,1,0,0,0,0|2,0,0]=4 855 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [1,1,0,0,0,0|2,0,0]=4 856 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [1,1,0,0,0,0|2,0,0]=4 857 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [1,1,0,0,0,0|2,0,0]=4 858 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [1,1,0,0,0,0|2,0,0]=4 859 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [1,1,0,0,0,0|2,0,0]=4 860 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [1,1,0,0,0,0|2,0,0]=4 861 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [1,1,0,0,0,0|2,0,0]=4 862 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [1,1,0,0,0,0|2,0,0]=4 863 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [1,1,0,0,0,0|2,0,0]=4 864 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [1,1,0,0,0,0|2,0,0]=4 865 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [1,1,0,0,0,0|2,0,0]=4 866 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [1,1,0,0,0,0|2,0,0]=4 867 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [1,1,0,0,0,0|2,0,0]=4 868 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [1,1,0,0,0,0|1,0,0]=3 869 B8R0.24 CC(CC(C)(C)C)O[13CH3] 7a_200011218616_200025704644 [1,1,0,0,0,0|1,0,1]=4 870 B8R0.24 COC(C)CC(C)(C)C 7a_200011218616_200000210301 [1,1,0,0,0,0|1,0,1]=4 871 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [1,1,0,0,0,0|0,0,0]=2 872 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [1,1,0,0,0,0|2,0,0]=4 873 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [1,1,0,0,0,0|2,0,0]=4 874 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [1,1,0,0,0,0|1,0,0]=3 875 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [1,1,0,0,0,0|1,0,0]=3 876 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [1,1,0,0,0,0|2,0,0]=4 877 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [1,1,0,0,0,0|2,0,0]=4 878 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [1,1,0,0,0,0|2,0,0]=4 879 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [1,1,0,0,0,0|2,0,0]=4 880 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [1,1,0,0,0,0|1,0,0]=3 881 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [1,1,0,0,0,0|1,0,0]=3 882 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [1,1,0,0,0,0|2,0,0]=4 883 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [1,1,0,0,0,0|2,0,0]=4 884 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [1,1,0,0,0,0|0,0,0]=2 885 B8R0.34 COC(C)(C)CN(C)C 269982a_100102631434_100000701081 [1,1,0,0,0,0|2,0,0]=4 886 B8R0.11 CCC(CC)NCC=O 2230a_100000199018_200015260668 [1,1,0,0,0,0|2,0,0]=4 887 B8R0.11 CCC(CC)OCC=O 7a_100000688536_200015260668 [1,1,0,0,0,0|2,0,0]=4 888 B8R0.11 CCC(CC)SCC=O 62a_100000210505_200015260668 [1,1,0,0,0,0|2,0,0]=4 889 B8R0.11 CCC(CC)SCC=O 62a_200015260668_100000210505 [1,1,0,0,0,0|2,0,0]=4 890 B8R0.11 CCC(COCF)OC 34a_100011934954_100015361967 [1,1,0,0,0,0|2,0,0]=4 891 B8R0.11 CCC(COCF)OC 7a_100011934954_100015361967 [1,1,0,0,0,0|2,0,0]=4 892 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [1,1,0,0,0,0|1,0,1]=4 893 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [1,1,0,0,0,0|1,0,1]=4 894 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [1,1,0,0,0,0|1,0,1]=4 895 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [1,1,0,0,0,0|1,0,1]=4 896 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [1,1,0,0,0,0|1,0,1]=4 897 B8R0.11 CCNCC(OC)OC 2230a_100015525214_100000751394 [1,1,0,0,0,0|0,0,1]=3 898 B8R0.11 CCNCC(OC)OC 270004a_100015525214_100000752162 [1,1,0,0,0,0|0,0,1]=3 899 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [1,1,0,0,0,0|1,0,1]=4 900 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [1,1,0,0,0,0|1,0,1]=4 901 B8R0.11 CCOCC(OC)OC 34a_100011216393_100000210202 [1,1,0,0,0,0|0,0,1]=3 902 B8R0.11 CCOCC(OC)OC 34a_100121572206_100000211822 [1,1,0,0,0,0|0,0,1]=3 903 B8R0.11 CCSCC(OC)OC 62a_100000210202_100000751394 [1,1,0,0,0,0|0,0,1]=3 904 B8R0.11 CCSCC(OC)OC 62a_100000751394_100000210202 [1,1,0,0,0,0|0,0,1]=3 905 B8R0.11 CNCCC(OC)OC 2230a_106832991635_100009813347 [1,1,0,0,0,0|0,0,1]=3 906 B8R0.11 CNCCC(OC)OC 34a_100102657272_100000139399 [1,1,0,0,0,0|0,0,1]=3 907 B8R0.11 CNCCC(OC)OC 7a_106832991635_100009813347 [1,1,0,0,0,0|0,0,1]=3 908 B8R0.11 COC(CCSC)OC 62a_100000139399_200000210301 [1,1,0,0,0,0|0,0,1]=3 909 B8R0.11 COC(CCSC)OC 62a_200000210301_100000139399 [1,1,0,0,0,0|0,0,1]=3 910 B8R0.11 COC(CCS[13CH3])OC 62a_100000139399_200025704644 [1,1,0,0,0,0|0,0,1]=3 911 B8R0.11 COC(CCS[13CH3])OC 62a_200025704644_100000139399 [1,1,0,0,0,0|0,0,1]=3 912 B8R0.11 COC(COCF)OC 34a_100011216393_100015361967 [1,1,0,0,0,0|1,0,0]=3 913 B8R0.11 COC(CSCF)OC 62a_100000751394_100015361967 [1,1,0,0,0,0|1,0,0]=3 914 B8R0.11 COC(CSCF)OC 62a_100015361967_100000751394 [1,1,0,0,0,0|1,0,0]=3 915 B8R0.11 COCCC(OC)OC 34a_100138415774_100000139399 [1,1,0,0,0,0|0,0,1]=3 916 B8R0.15 C=CCC(OC)C(C)C 34a_200011216146_200000210301 [1,1,0,0,0,0|1,0,1]=4 917 B8R0.15 C=CCC(OC)C(C)C 7a_200011216146_200000210301 [1,1,0,0,0,0|1,0,1]=4 918 B8R0.15 C=CCC(O[13CH3])C(C)C 34a_200011216146_200025704644 [1,1,0,0,0,0|1,0,1]=4 919 B8R0.15 C=CCC(O[13CH3])C(C)C 7a_200011216146_200025704644 [1,1,0,0,0,0|1,0,1]=4 920 B8R0.15 CCCC(OC)C(C)C 34a_200011215069_200000210301 [1,1,0,0,0,0|1,0,1]=4 921 B8R0.15 CCCC(OC)C(C)C 7a_200011215069_200000210301 [1,1,0,0,0,0|1,0,1]=4 922 B8R0.15 CCCC(O[13CH3])C(C)C 34a_200011215069_200025704644 [1,1,0,0,0,0|1,0,1]=4 923 B8R0.15 CCCC(O[13CH3])C(C)C 7a_200011215069_200025704644 [1,1,0,0,0,0|1,0,1]=4 924 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [1,1,0,0,0,0|0,0,2]=4 925 B8R0.20 CNC(=O)C(OC)OC 11a_106832991635_100000046285 [1,1,0,0,0,0|1,0,1]=4 926 B8R0.20 CNC(=O)C(OC)OC 240690a_100102657272_100000046285 [1,1,0,0,0,0|1,0,1]=4 927 B8R0.20 CNC(=O)C(OC)OC 527a_100102657272_100000046285 [1,1,0,0,0,0|1,0,1]=4 928 B8R0.20 CNC(C)C(OC)OC 270004a_106832991635_100000211384 [1,1,0,0,0,0|1,0,0]=3 929 B8R0.20 CNC(C)C(OC)OC 34a_100102657272_100011222894 [1,1,0,0,0,0|1,0,0]=3 930 B8R0.20 COC(=O)C(OC)OC 34a_100000036821_200000210301 [1,1,0,0,0,0|1,0,1]=4 931 B8R0.20 COC(=O)C(OC)OC 34a_100138415774_100000101307 [1,1,0,0,0,0|1,0,1]=4 932 B8R0.20 COC(=O)C(OC)O[13CH3] 34a_100000036821_200025704644 [1,1,0,0,0,0|1,0,1]=4 933 B8R0.20 COC(C)C(OC)OC 34a_100000754440_200000210301 [1,1,0,0,0,0|1,0,0]=3 934 B8R0.20 COC(C)C(OC)OC 34a_100138415774_100011222894 [1,1,0,0,0,0|1,0,0]=3 935 B8R0.20 COC(C)C(OC)OC 7a_100000754440_200000210301 [1,1,0,0,0,0|1,0,0]=3 936 B8R0.20 COC(OC)C(C)O[13CH3] 34a_100000754440_200025704644 [1,1,0,0,0,0|1,0,0]=3 937 B8R0.20 COC(OC)C(C)O[13CH3] 7a_100000754440_200025704644 [1,1,0,0,0,0|1,0,0]=3 938 B8R0.20 COC(OC)C(C)SC 62a_100011222894_200000210301 [1,1,0,0,0,0|1,0,0]=3 939 B8R0.20 COC(OC)C(C)SC 62a_200000210301_100011222894 [1,1,0,0,0,0|1,0,0]=3 940 B8R0.20 COC(OC)C(C)S[13CH3] 62a_100011222894_200025704644 [1,1,0,0,0,0|1,0,0]=3 941 B8R0.20 COC(OC)C(C)S[13CH3] 62a_200025704644_100011222894 [1,1,0,0,0,0|1,0,0]=3 942 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [1,1,0,0,0,0|1,0,1]=4 943 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [1,1,0,0,0,0|1,0,1]=4 944 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [1,1,0,0,0,0|1,0,1]=4 945 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [1,1,0,0,0,0|1,0,1]=4 946 B8R0.22 C=CCC(CCC)OC 34a_100011215139_200000210301 [1,1,0,0,0,0|1,0,1]=4 947 B8R0.22 C=CCC(CCC)OC 7a_100011215139_200000210301 [1,1,0,0,0,0|1,0,1]=4 948 B8R0.22 C=CCC(CCC)O[13CH3] 34a_100011215139_200025704644 [1,1,0,0,0,0|1,0,1]=4 949 B8R0.22 C=CCC(CCC)O[13CH3] 7a_100011215139_200025704644 [1,1,0,0,0,0|1,0,1]=4 950 B8R0.22 CCC(COC)OCF 7a_200011214946_100015361967 [1,1,0,0,0,0|2,0,0]=4 951 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [1,1,0,0,0,0|1,0,1]=4 952 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [1,1,0,0,0,0|1,0,1]=4 953 B8R0.22 CCCC(CC)OCF 34a_100000687864_100015361967 [1,1,0,0,0,0|1,0,1]=4 954 B8R0.22 CCCC(CC)OCF 7a_100000687864_100015361967 [1,1,0,0,0,0|1,0,1]=4 955 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [1,1,0,0,0,0|1,0,1]=4 956 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [1,1,0,0,0,0|1,0,1]=4 957 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [1,1,0,0,0,0|1,0,1]=4 958 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [1,1,0,0,0,0|1,0,1]=4 959 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [1,1,0,0,0,0|1,0,1]=4 960 B8R0.22 CCOC(CC)CNC 2230a_100015183923_200000210301 [1,1,0,0,0,0|2,0,0]=4 961 B8R0.22 CCOC(CC)CNC 34a_100015183923_200000210301 [1,1,0,0,0,0|2,0,0]=4 962 B8R0.22 CCOC(CC)CN[13CH3] 2230a_100015183923_200025704644 [1,1,0,0,0,0|2,0,0]=4 963 B8R0.22 CCOC(CC)CN[13CH3] 34a_100015183923_200025704644 [1,1,0,0,0,0|2,0,0]=4 964 B8R0.22 CCOC(CC)COC 7a_200011214946_100000210202 [1,1,0,0,0,0|2,0,0]=4 965 B8R0.22 CNC(COC)COC 2230a_100011997029_200000210301 [1,1,0,0,0,0|2,0,0]=4 966 B8R0.22 CNC(COC)COC 270004a_106832991635_100000761750 [1,1,0,0,0,0|2,0,0]=4 967 B8R0.22 COC(CSC)CSC 7a_200000036665_200000210301 [1,1,0,0,0,0|1,1,0]=4 968 B8R0.22 COCC(COC)N[13CH3] 2230a_100011997029_200025704644 [1,1,0,0,0,0|2,0,0]=4 969 B8R0.22 COCC(COC)OC 34a_100000766098_200000210301 [1,1,0,0,0,0|1,0,0]=3 970 B8R0.22 COCC(COC)O[13CH3] 34a_100000766098_200025704644 [1,1,0,0,0,0|1,0,0]=3 971 B8R0.22 CSCC(CSC)O[13CH3] 7a_200000036665_200025704644 [1,1,0,0,0,0|1,1,0]=4 972 B8R0.31 C=CCC(C)(CC)OC 7a_200011216962_200000210301 [1,1,0,0,0,0|1,0,1]=4 973 B8R0.31 C=CCC(C)(CC)O[13CH3] 7a_200011216962_200025704644 [1,1,0,0,0,0|1,0,1]=4 974 B8R0.31 CCCC(C)(CC)OC 7a_200011215934_200000210301 [1,1,0,0,0,0|1,0,1]=4 975 B8R0.31 CCCC(C)(CC)O[13CH3] 7a_200011215934_200025704644 [1,1,0,0,0,0|1,0,1]=4 976 B8R0.31 CNCC(C)(OC)OC 2230a_100000732740_200000210301 [1,1,0,0,0,0|1,0,0]=3 977 B8R0.31 CNCC(C)(OC)OC 2230a_106832991635_100000064154 [1,1,0,0,0,0|1,0,0]=3 978 B8R0.31 CNCC(C)(OC)OC 34a_100102657272_100000766008 [1,1,0,0,0,0|1,0,0]=3 979 B8R0.31 COC(C)(CN[13CH3])OC 2230a_100000732740_200025704644 [1,1,0,0,0,0|1,0,0]=3 980 B8R0.31 COC(C)(CSC)OC 62a_100000766008_200000210301 [1,1,0,0,0,0|1,0,0]=3 981 B8R0.31 COC(C)(CSC)OC 62a_200000210301_100000766008 [1,1,0,0,0,0|1,0,0]=3 982 B8R0.31 COC(C)(CS[13CH3])OC 62a_100000766008_200025704644 [1,1,0,0,0,0|1,0,0]=3 983 B8R0.31 COC(C)(CS[13CH3])OC 62a_200025704644_100000766008 [1,1,0,0,0,0|1,0,0]=3 984 B8R0.31 COCC(C)(OC)OC 34a_100138415774_100000766008 [1,1,0,0,0,0|1,0,0]=3 985 B8R0.31 COCP(=O)(OC)OC 34a_100000101693_200000210301 [1,1,0,0,0,0|2,0,0]=4 986 B8R0.31 COP(=O)(CO[13CH3])OC 34a_100000101693_200025704644 [1,1,0,0,0,0|2,0,0]=4 987 B8R0.31 CO[Si](C)(CSC)OC 62a_100000067953_200000210301 [1,1,0,0,0,0|1,1,0]=4 988 B8R0.31 CO[Si](C)(CSC)OC 62a_200000210301_100000067953 [1,1,0,0,0,0|1,1,0]=4 989 B8R0.31 CO[Si](C)(CS[13CH3])OC 62a_100000067953_200025704644 [1,1,0,0,0,0|1,1,0]=4 990 B8R0.31 CO[Si](C)(CS[13CH3])OC 62a_200025704644_100000067953 [1,1,0,0,0,0|1,1,0]=4 991 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [0,1,0,0,1,0|1,1,0]=4 992 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [0,1,0,0,1,0|1,1,0]=4 993 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [0,1,0,0,1,0|2,0,0]=4 994 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [0,1,0,0,1,0|2,0,0]=4 995 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,1,0,0,1,0|2,0,0]=4 996 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [0,1,0,0,1,0|1,1,0]=4 997 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [0,1,0,0,1,0|1,1,0]=4 998 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000070787_100009817345 [0,1,0,0,1,0|2,0,0]=4 999 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000760562_200000210301 [0,1,0,0,1,0|2,0,0]=4 1000 B8R0.36 CCC(C)(CC)C(=O)[13CH3] 1458a_100000760562_200025704644 [0,1,0,0,1,0|2,0,0]=4 1001 B10R0.11 CCC(CNS(=O)(=O)C)OC 40a_100000731041_100000738038 [0,1,0,0,0,1|2,0,0]=4 1002 B10R0.11 COC(CNC(C)(C)C)OC 2230a_100000715429_100000751394 [0,1,0,0,0,1|1,0,1]=4 1003 B10R0.11 COC(COC(C)(C)C)OC 34a_100011216393_100000210625 [0,1,0,0,0,1|1,0,1]=4 1004 B10R0.11 COC(COC(C)(C)C)OC 34a_100015890283_100000211822 [0,1,0,0,0,1|1,0,1]=4 1005 B10R0.11 COC(COC(C)(C)C)OC 7a_100015890283_100000751394 [0,1,0,0,0,1|1,0,1]=4 1006 B10R0.11 COC(CSC(C)(C)C)OC 62a_100000211941_100000751394 [0,1,0,0,0,1|1,0,1]=4 1007 B10R0.11 COC(CSC(C)(C)C)OC 62a_100000751394_100000211941 [0,1,0,0,0,1|1,0,1]=4 1008 B10R0.27 C=C(C)CNC(CC)COC 2230a_100000757820_100000748629 [0,1,0,0,0,1|2,0,0]=4 1009 B10R0.27 C=C(C)COC(CC)COC 7a_200011214946_100000748629 [0,1,0,0,0,1|2,0,0]=4 1010 B10R0.27 CC(=O)OCC(CCl)OCF 7a_200000139349_100015361967 [0,1,0,0,0,1|2,0,0]=4 1011 B10R0.27 CCC(COC)NCC(=O)N 2230a_100000757820_100000747473 [0,1,0,0,0,1|2,0,0]=4 1012 B10R0.27 CCC(COC)OCC(=O)N 7a_200011214946_100000187820 [0,1,0,0,0,1|2,0,0]=4 1013 B10R0.27 CCOC(CC)CNC(=O)C 11a_100015183923_100015343762 [0,1,0,0,0,1|1,0,0]=3 1014 B10R0.27 CCOC(CC)CNC(=O)C 1626a_100015183923_100015343762 [0,1,0,0,0,1|1,0,0]=3 1015 B10R0.27 CCOC(CC)CNC(=O)C 240690a_100015183923_100015343762 [0,1,0,0,0,1|1,0,0]=3 1016 B10R0.27 CCOC(CC)CNC(=O)C 527a_100015183923_100103153847 [0,1,0,0,0,1|1,0,0]=3 1017 B10R0.27 CCOC(CCl)COC(=O)C 7a_200000139349_100000210202 [0,1,0,0,0,1|2,0,0]=4 1018 B10R0.45 C#CC(=O)CCC(OC)OC 1458a_100000211873_100000139399 [0,1,0,0,0,1|0,0,1]=3 1019 B10R0.45 C#CC(C)NCC(OC)OC 2230a_100000707721_100000751394 [0,1,0,0,0,1|1,0,1]=4 1020 B10R0.45 C#CC(C)NCC(OC)OC 270004a_100000707721_100000752162 [0,1,0,0,0,1|1,0,1]=4 1021 B10R0.45 C#CC(C)NCC(OC)OC 34a_100000707721_100000211822 [0,1,0,0,0,1|1,0,1]=4 1022 B10R0.45 C#CC(C)OCC(OC)OC 34a_100011216393_200000035995 [0,1,0,0,0,1|1,0,1]=4 1023 B10R0.45 C#CC(C)SCC(OC)OC 62a_200000035995_100000751394 [0,1,0,0,0,1|1,0,1]=4 1024 B10R0.45 C#C[C@@H](C)OCC(OC)OC 34a_100009815206_100000211822 [0,1,0,0,0,1|1,0,1]=4 1025 B10R0.45 C#C[C@@H](C)OCC(OC)OC 7a_100009815206_100000751394 [0,1,0,0,0,1|1,0,1]=4 1026 B10R0.45 C=CC(=O)CCC(OC)OC 1458a_100000185746_100000139399 [0,1,0,0,0,1|0,0,1]=3 1027 B10R0.45 C=CC(=O)NCC(CC)OC 1626a_100000731041_100000185746 [0,1,0,0,0,1|1,0,1]=4 1028 B10R0.45 C=CC(=O)NCC(CC)OC 240690a_100000731041_200121576911 [0,1,0,0,0,1|1,0,1]=4 1029 B10R0.45 C=CC(=O)NCC(OC)OC 1626a_100000210479_100000185746 [0,1,0,0,0,1|0,0,1]=3 1030 B10R0.45 C=CC(=O)NCC(OC)OC 240690a_100000210479_200121576911 [0,1,0,0,0,1|0,0,1]=3 1031 B10R0.45 C=CC(C)OCC(OC)OC 34a_100000695699_100000211822 [0,1,0,0,0,1|1,0,1]=4 1032 B10R0.45 C=CC(C)SCC(OC)OC 62a_100011215867_100000751394 [0,1,0,0,0,1|1,0,1]=4 1033 B10R0.45 CCC(=O)CCC(OC)OC 1458a_100000210414_100000139399 [0,1,0,0,0,1|0,0,0]=2 1034 B10R0.45 CCC(=O)CCC(OC)OC 1458a_200000082759_100000210202 [0,1,0,0,0,1|0,0,0]=2 1035 B10R0.45 CCC(=O)COC(CC)CC 1458a_100012002705_100000210202 [0,1,0,0,0,1|2,0,0]=4 1036 B10R0.45 CCC(=O)COC(CC)CC 7a_100000688536_100000747405 [0,1,0,0,0,1|2,0,0]=4 1037 B10R0.45 CCC(=O)CSC(CC)CC 62a_100000210505_100000747405 [0,1,0,0,0,1|2,0,0]=4 1038 B10R0.45 CCC(=O)CSC(CC)CC 62a_100000747405_100000210505 [0,1,0,0,0,1|2,0,0]=4 1039 B10R0.45 CCC(=O)NCC(CC)CC 11a_100102946423_100000210414 [0,1,0,0,0,1|2,0,0]=4 1040 B10R0.45 CCC(=O)NCC(CC)CC 1626a_100102946423_100000210414 [0,1,0,0,0,1|2,0,0]=4 1041 B10R0.45 CCC(=O)NCC(CC)CC 240690a_100102946423_100000210414 [0,1,0,0,0,1|2,0,0]=4 1042 B10R0.45 CCC(=O)NCC(CC)CC 527a_100102946423_100000210414 [0,1,0,0,0,1|2,0,0]=4 1043 B10R0.45 CCC(=O)NCC(CC)OC 11a_100000731041_100000210414 [0,1,0,0,0,1|1,0,0]=3 1044 B10R0.45 CCC(=O)NCC(CC)OC 1626a_100000731041_100000210414 [0,1,0,0,0,1|1,0,0]=3 1045 B10R0.45 CCC(=O)NCC(CC)OC 240690a_100000731041_100000210414 [0,1,0,0,0,1|1,0,0]=3 1046 B10R0.45 CCC(=O)NCC(CC)OC 527a_100000731041_100000210414 [0,1,0,0,0,1|1,0,0]=3 1047 B10R0.45 CCC(=O)NCC(OC)OC 11a_100000210479_100000210414 [0,1,0,0,0,1|0,0,0]=2 1048 B10R0.45 CCC(=O)NCC(OC)OC 1626a_100000210479_100000210414 [0,1,0,0,0,1|0,0,0]=2 1049 B10R0.45 CCC(=O)NCC(OC)OC 240690a_100000210479_100000210414 [0,1,0,0,0,1|0,0,0]=2 1050 B10R0.45 CCC(=O)NCC(OC)OC 527a_100000210479_100000210414 [0,1,0,0,0,1|0,0,0]=2 1051 B10R0.45 CCC(C)NCC(OC)OC 2230a_100000209981_100000751394 [0,1,0,0,0,1|1,0,1]=4 1052 B10R0.45 CCC(C)NCC(OC)OC 270004a_100000209981_100000752162 [0,1,0,0,0,1|1,0,1]=4 1053 B10R0.45 CCC(C)OCC(OC)OC 34a_100011216393_100011215416 [0,1,0,0,0,1|1,0,1]=4 1054 B10R0.45 CCC(C)OCC(OC)OC 7a_100000210228_100000751394 [0,1,0,0,0,1|1,0,1]=4 1055 B10R0.45 CCC(C)SCC(OC)OC 62a_100000751394_100000758301 [0,1,0,0,0,1|1,0,1]=4 1056 B10R0.45 CCC(C)SCC(OC)OC 62a_100000758301_100000751394 [0,1,0,0,0,1|1,0,1]=4 1057 B10R0.45 CCC(CC)CNC(=O)CO 240690a_100102946423_100000210174 [0,1,0,0,0,1|2,0,0]=4 1058 B10R0.45 CCC(CC)CNC(=O)CO 527a_100102946423_100000210174 [0,1,0,0,0,1|2,0,0]=4 1059 B10R0.45 CCC(CC)CNC(=O)NC 2708a_100102657272_100102946423 [0,1,0,0,0,1|2,0,0]=4 1060 B10R0.45 CCC(CC)CNC(=O)NC 2708a_100102946423_106832991635 [0,1,0,0,0,1|2,0,0]=4 1061 B10R0.45 CCC(CC)CNC(=O)NC 273464a_100102657272_100102946423 [0,1,0,0,0,1|2,0,0]=4 1062 B10R0.45 CCC(CC)CNC(=O)NC 273464a_100102946423_100102657272 [0,1,0,0,0,1|2,0,0]=4 1063 B10R0.45 CCC(CC)CNC(=O)NC 512a_100102946423_100102657272 [0,1,0,0,0,1|2,0,0]=4 1064 B10R0.45 CCC(CC)CNC(=O)NC 512a_106832991638_100102946423 [0,1,0,0,0,1|2,0,0]=4 1065 B10R0.45 CCC(CC)NCC(=O)NC 2230a_100000199018_100000183359 [0,1,0,0,0,1|2,0,0]=4 1066 B10R0.45 CCC(CC)NCC(=O)NC 270004a_100000693194_100000210860 [0,1,0,0,0,1|2,0,0]=4 1067 B10R0.45 CCC(CC)NCC(=O)OC 2230a_100000199018_100000747449 [0,1,0,0,0,1|2,0,0]=4 1068 B10R0.45 CCC(CC)OCC(=O)CF 1458a_100012002705_100015361967 [0,1,0,0,0,1|2,0,0]=4 1069 B10R0.45 CCC(CC)OCC(=O)NC 11a_106832991635_100012002705 [0,1,0,0,0,1|2,0,0]=4 1070 B10R0.45 CCC(CC)OCC(=O)NC 1626a_100102657272_100012002705 [0,1,0,0,0,1|2,0,0]=4 1071 B10R0.45 CCC(CC)OCC(=O)NC 240690a_100102657272_100012002705 [0,1,0,0,0,1|2,0,0]=4 1072 B10R0.45 CCC(CC)OCC(=O)NC 527a_100102657272_100012002705 [0,1,0,0,0,1|2,0,0]=4 1073 B10R0.45 CCC(CC)OCC(=O)NC 7a_100000688536_100000183359 [0,1,0,0,0,1|2,0,0]=4 1074 B10R0.45 CCC(CC)OCC(=O)OC 7a_100000688536_100000747449 [0,1,0,0,0,1|2,0,0]=4 1075 B10R0.45 CCC(CC)SCC(=O)NC 62a_100000183359_100000210505 [0,1,0,0,0,1|2,0,0]=4 1076 B10R0.45 CCC(CC)SCC(=O)NC 62a_100000210505_100000183359 [0,1,0,0,0,1|2,0,0]=4 1077 B10R0.45 CCC(CC)SCC(=O)OC 62a_100000210505_100000747449 [0,1,0,0,0,1|2,0,0]=4 1078 B10R0.45 CCC(CC)SCC(=O)OC 62a_100000747449_100000210505 [0,1,0,0,0,1|2,0,0]=4 1079 B10R0.45 CCC(CNC(=O)CO)OC 240690a_100000731041_100000210174 [0,1,0,0,0,1|1,0,0]=3 1080 B10R0.45 CCC(CNC(=O)CO)OC 527a_100000731041_100000210174 [0,1,0,0,0,1|1,0,0]=3 1081 B10R0.45 CCC(CNC(=O)NC)OC 2708a_100000731041_106832991635 [0,1,0,0,0,1|1,0,0]=3 1082 B10R0.45 CCC(CNC(=O)NC)OC 2708a_100102657272_100000731041 [0,1,0,0,0,1|1,0,0]=3 1083 B10R0.45 CCC(CNC(=O)NC)OC 273464a_100000731041_100102657272 [0,1,0,0,0,1|1,0,0]=3 1084 B10R0.45 CCC(CNC(=O)NC)OC 273464a_100102657272_100000731041 [0,1,0,0,0,1|1,0,0]=3 1085 B10R0.45 CCC(CNC(=O)NC)OC 512a_100000731041_100102657272 [0,1,0,0,0,1|1,0,0]=3 1086 B10R0.45 CCC(CNC(=O)NC)OC 512a_106832991638_100000731041 [0,1,0,0,0,1|1,0,0]=3 1087 B10R0.45 CCN(C)CCC(OC)OC 2230a_100000225621_100009813347 [0,1,0,0,0,1|2,0,0]=4 1088 B10R0.45 CCN(C)CCC(OC)OC 269982a_100000225621_100000139399 [0,1,0,0,0,1|2,0,0]=4 1089 B10R0.45 CNC(=O)CCC(OC)OC 11a_106832991635_200000082759 [0,1,0,0,0,1|0,0,0]=2 1090 B10R0.45 CNC(=O)CCC(OC)OC 1626a_100102657272_200000082759 [0,1,0,0,0,1|0,0,0]=2 1091 B10R0.45 CNC(=O)CCC(OC)OC 240690a_100102657272_200000082759 [0,1,0,0,0,1|0,0,0]=2 1092 B10R0.45 CNC(=O)CCC(OC)OC 527a_100102657272_200000082759 [0,1,0,0,0,1|0,0,0]=2 1093 B10R0.45 CNC(=O)NCC(OC)OC 2708a_100000210479_106832991635 [0,1,0,0,0,1|0,0,0]=2 1094 B10R0.45 CNC(=O)NCC(OC)OC 273464a_100000210479_100102657272 [0,1,0,0,0,1|0,0,0]=2 1095 B10R0.45 CNC(=O)NCC(OC)OC 273464a_100102657272_100000210479 [0,1,0,0,0,1|0,0,0]=2 1096 B10R0.45 CNC(=O)NCC(OC)OC 512a_100000210479_100102657272 [0,1,0,0,0,1|0,0,0]=2 1097 B10R0.45 CNC(=O)NCC(OC)OC 512a_106832991638_100000210479 [0,1,0,0,0,1|0,0,0]=2 1098 B10R0.45 COC(CCC(=O)CF)OC 1458a_200000082759_100015361967 [0,1,0,0,0,1|0,0,0]=2 1099 B10R0.45 COC(CCC(=O)CO)OC 1458a_100000210174_100000139399 [0,1,0,0,0,1|0,0,0]=2 1100 B10R0.45 COC(CNC(=O)CO)OC 240690a_100000210479_100000210174 [0,1,0,0,0,1|0,0,0]=2 1101 B10R0.45 COC(CNC(=O)CO)OC 527a_100000210479_100000210174 [0,1,0,0,0,1|0,0,0]=2 1102 B10R0.45 COC(CNC(C)C#N)OC 2230a_100000737613_100000751394 [0,1,0,0,0,1|1,0,1]=4 1103 B10R0.45 COC(CN[C@H](C)CF)OC 270004a_100102880703_100000752162 [0,1,0,0,0,1|1,0,1]=4 1104 B10R0.45 COC(CN[C@H](C)CO)OC 2230a_100000737577_100000751394 [0,1,0,0,0,1|0,0,2]=4 1105 B10R0.45 COC(CN[C@H](C)CO)OC 270004a_100000737577_100000752162 [0,1,0,0,0,1|0,0,2]=4 1106 B10R0.45 COC(COC(C)C#N)OC 34a_100011218135_100000211822 [0,1,0,0,0,1|1,0,1]=4 1107 B10R0.45 COC(COC(C)CF)OC 34a_100016041109_100000211822 [0,1,0,0,0,1|1,0,1]=4 1108 B10R0.45 COC(COC(C)CF)OC 7a_100016041109_100000751394 [0,1,0,0,0,1|1,0,1]=4 1109 B10R0.45 COC(COC(C)CN)OC 34a_100000210904_100000211822 [0,1,0,0,0,1|1,0,1]=4 1110 B10R0.45 COC(COC(C)CO)OC 34a_100011216393_100012180447 [0,1,0,0,0,1|0,0,2]=4 1111 B10R0.45 COC(CSC(C)C#N)OC 62a_100000703298_100000751394 [0,1,0,0,0,1|1,0,1]=4 1112 B10R0.45 COC(CSC(C)C#N)OC 62a_100000751394_100000703298 [0,1,0,0,0,1|1,0,1]=4 1113 B10R0.45 COC(CSC(C)CO)OC 62a_100012180447_100000751394 [0,1,0,0,0,1|0,0,2]=4 1114 B10R0.45 COC(CSC(C)OC)OC 62a_100000751394_100009879195 [0,1,0,0,0,1|0,0,2]=4 1115 B10R0.45 COC(CSC(C)OC)OC 62a_100009879195_100000751394 [0,1,0,0,0,1|0,0,2]=4 1116 B10R0.45 COC(CS[C@H](C)CO)OC 62a_100000751394_100016084084 [0,1,0,0,0,1|0,0,2]=4 1117 B10R0.45 COC(CS[C@H](C)CO)OC 62a_100016084084_100000751394 [0,1,0,0,0,1|0,0,2]=4 1118 B10R0.72 C=C(C)C(=O)CC(OC)OC 1458a_100000185857_100000751394 [0,1,0,0,0,1|1,0,0]=3 1119 B10R0.72 CCC(CC)NC(C)C(=O)C 2230a_100000199018_100009814033 [0,1,0,0,0,1|2,0,0]=4 1120 B10R0.72 CCC(CC)OC(C)C(=O)C 7a_100000688536_100000179758 [0,1,0,0,0,1|2,0,0]=4 1121 B10R0.72 CCC(CC)SC(C)C(=O)C 62a_100000210505_100009814033 [0,1,0,0,0,1|2,0,0]=4 1122 B10R0.72 CCC(CC)SC(C)C(=O)C 62a_100009814033_100000210505 [0,1,0,0,0,1|2,0,0]=4 1123 B10R0.72 COC(CC(=O)C(C)C)OC 1458a_100000082724_100000210206 [0,1,0,0,0,1|1,0,1]=4 1124 B10R0.72 COC(CC(=O)C(C)C)OC 1458a_100000210198_100000751394 [0,1,0,0,0,1|1,0,1]=4 1125 B10R0.72 COC(CC(=O)C(C)F)OC 1458a_100000062450_100000751394 [0,1,0,0,0,1|1,0,1]=4 1126 B10R0.72 COC(CC(=O)N(C)C)OC 11a_100102631434_100000082724 [0,1,0,0,0,1|2,0,0]=4 1127 B10R0.72 COC(CC(=O)N(C)C)OC 1626a_100102631434_100000082724 [0,1,0,0,0,1|2,0,0]=4 1128 B10R0.72 COC(CC(=O)N(C)C)OC 240690a_100102631434_100000082724 [0,1,0,0,0,1|2,0,0]=4 1129 B10R0.72 COC(CC(=O)N(C)C)OC 527a_100102631434_100000082724 [0,1,0,0,0,1|2,0,0]=4 1130 B10R0.72 COC(CC(=O)[C@@H](C)O)OC 1458a_100000717761_100000751394 [0,1,0,0,0,1|0,0,2]=4 1131 B10R0.72 COC(CC(=O)[C@H](C)O)OC 1458a_217856618621_100000751394 [0,1,0,0,0,1|0,0,2]=4 1132 B10R0.72 COC(CC(C)N(C)C)OC 270004a_100102631434_100000210484 [0,1,0,0,0,1|2,0,0]=4 1133 B10R0.72 COC(CN(C)C(=O)C)OC 11a_100000225562_100015343762 [0,1,0,0,0,1|0,0,0]=2 1134 B10R0.72 COC(CN(C)C(=O)C)OC 1626a_100000225562_100015343762 [0,1,0,0,0,1|0,0,0]=2 1135 B10R0.72 COC(CN(C)C(=O)C)OC 240690a_100000225562_100015343762 [0,1,0,0,0,1|0,0,0]=2 1136 B10R0.72 COC(CN(C)C(=O)C)OC 527a_100000225562_100103153847 [0,1,0,0,0,1|0,0,0]=2 1137 B10R0.72 COC(CN(C)C(C)C)OC 269982a_100000225562_100000210206 [0,1,0,0,0,1|1,0,1]=4 1138 B10R0.72 COC(CN(C)C(C)C)OC 270004a_200000211004_100000752162 [0,1,0,0,0,1|1,0,1]=4 1139 B10R0.84 CCC(CNC(=O)C)N(C)C 11a_100000738386_100015343762 [0,1,0,0,0,1|2,0,0]=4 1140 B10R0.84 CCC(CNC(=O)C)N(C)C 1626a_100000738386_100015343762 [0,1,0,0,0,1|2,0,0]=4 1141 B10R0.84 CCC(CNC(=O)C)N(C)C 240690a_100000738386_100015343762 [0,1,0,0,0,1|2,0,0]=4 1142 B10R0.121 COC(C)(CNC(=O)C)OC 11a_100000732740_100015343762 [0,1,0,0,0,1|0,0,0]=2 1143 B10R0.121 COC(C)(CNC(=O)C)OC 1626a_100000732740_100015343762 [0,1,0,0,0,1|0,0,0]=2 1144 B10R0.121 COC(C)(CNC(=O)C)OC 527a_100000732740_100103153847 [0,1,0,0,0,1|0,0,0]=2 1145 B10R0.121 COC(C)(CNC(C)C)OC 2230a_100000732740_100000210206 [0,1,0,0,0,1|1,0,1]=4 1146 B10R0.121 COC(C)(CNC(C)C)OC 2230a_100138425928_100000064154 [0,1,0,0,0,1|1,0,1]=4 1147 B10R0.121 COC(C)(CNC(C)C)OC 34a_100138425928_100000766008 [0,1,0,0,0,1|1,0,1]=4 1148 B10R0.121 COC(C)(COC(C)C)OC 34a_100000212225_100000766008 [0,1,0,0,0,1|1,0,1]=4 1149 B10R0.121 COC(C)(CSC(C)C)OC 62a_100000210206_100000766008 [0,1,0,0,0,1|1,0,1]=4 1150 B10R0.121 COC(C)(CSC(C)C)OC 62a_100000766008_100000210206 [0,1,0,0,0,1|1,0,1]=4 1151 B10R0.144 C=C(C)CC(=O)C(CC)OC 1458a_100000747056_100000748629 [0,1,0,0,0,1|2,0,0]=4 1152 B10R0.144 C=C(C)CC(=O)C(OC)OC 1458a_100000046285_100000748629 [0,1,0,0,0,1|1,0,0]=3 1153 B10R0.144 C=C(F)CC(=O)C(OC)OC 1458a_100000046285_100009893438 [0,1,0,0,0,1|1,0,1]=4 1154 B10R0.144 CCC(OC)C(=O)CC(=O)N 1458a_100000747056_100000187820 [0,1,0,0,0,1|2,0,0]=4 1155 B10R0.144 CCC(OC)C(=O)CC(=O)[O-] 1458a_100000747056_100020667443 [0,1,0,0,0,1|2,0,0]=4 1156 B10R0.144 COC(OC)C(=O)CC(=O)N 1458a_100000046285_100000187820 [0,1,0,0,0,1|1,0,0]=3 1157 B10R0.144 COC(OC)C(=O)CC(=O)[O-] 1458a_100000046285_100020667443 [0,1,0,0,0,1|1,0,0]=3 1158 B10R0.144 COC(OC)C(=O)CC(C)C 1458a_100000046285_100000210624 [0,1,0,0,0,1|1,0,1]=4 1159 B10R0.144 COC(OC)C(=O)CC(C)O 1458a_100000046285_100011218427 [0,1,0,0,0,1|0,0,2]=4 1160 B10R0.144 COC(OC)C(=O)C[N+](=O)[O-] 1458a_100000046285_100000761209 [0,1,0,0,0,1|2,0,0]=4 1161 B10R0.144 COC(OC)C(C)NC(C)C 34a_100138425928_100011222894 [0,1,0,0,0,1|1,0,1]=4 1162 B10R0.144 COC(OC)C(C)OC(C)C 34a_100000212225_100011222894 [0,1,0,0,0,1|1,0,1]=4 1163 B10R0.144 COC(OC)C(C)OC(C)C 34a_100000754440_100000210206 [0,1,0,0,0,1|1,0,1]=4 1164 B10R0.144 COC(OC)C(C)OC(C)C 7a_100000754440_100000210206 [0,1,0,0,0,1|1,0,1]=4 1165 B10R0.144 COC(OC)C(C)SC(C)C 62a_100000210206_100011222894 [0,1,0,0,0,1|1,0,1]=4 1166 B10R0.144 COC(OC)C(C)SC(C)C 62a_100011222894_100000210206 [0,1,0,0,0,1|1,0,1]=4 1167 B10R0.23 C=C(C)CC(OCC)C(=C)C 34a_200000034272_100000210202 [0,2,0,0,0,0|2,0,0]=4 1168 B10R0.23 C=C(C)CC(OCC)C(=C)C 7a_200000034272_100000210202 [0,2,0,0,0,0|2,0,0]=4 1169 B10R0.23 C=C(C)CC(OCF)C(=C)C 34a_200000034272_100015361967 [0,2,0,0,0,0|2,0,0]=4 1170 B10R0.23 C=C(C)CC(OCF)C(=C)C 7a_200000034272_100015361967 [0,2,0,0,0,0|2,0,0]=4 1171 B10R0.23 COCC(NC(=O)C)C(=O)C 1458a_200012277492_200000210301 [0,2,0,0,0,0|2,0,0]=4 1172 B10R0.23 COCC(NC(=O)C)C(=O)[13CH3] 1458a_200012277492_200025704644 [0,2,0,0,0,0|2,0,0]=4 1173 B10R0.23 COCC(NC(=O)C)C(C)C 11a_100000760233_100015343762 [0,2,0,0,0,0|2,0,0]=4 1174 B10R0.23 COCC(NC(=O)C)C(C)C 1626a_100000760233_100015343762 [0,2,0,0,0,0|2,0,0]=4 1175 B10R0.23 COCC(NC(=O)C)C(C)C 240690a_100000760233_100015343762 [0,2,0,0,0,0|2,0,0]=4 1176 B10R0.23 COCC(NC(=O)C)C(C)C 527a_100000760233_100103153847 [0,2,0,0,0,0|2,0,0]=4 1177 B10R0.29 CCC(=O)NC(CC)COC 11a_100000757820_100000210414 [0,2,0,0,0,0|2,0,0]=4 1178 B10R0.29 CCC(=O)NC(CC)COC 1626a_100000757820_100000210414 [0,2,0,0,0,0|2,0,0]=4 1179 B10R0.29 CCC(=O)NC(CC)COC 240690a_100000757820_100000210414 [0,2,0,0,0,0|2,0,0]=4 1180 B10R0.29 CCC(=O)NC(CC)COC 527a_100000757820_100000210414 [0,2,0,0,0,0|2,0,0]=4 1181 B10R0.29 CCC(COC)NC(=O)CO 240690a_100000757820_100000210174 [0,2,0,0,0,0|2,0,0]=4 1182 B10R0.29 CCC(COC)NC(=O)CO 527a_100000757820_100000210174 [0,2,0,0,0,0|2,0,0]=4 1183 B10R0.29 CCC(COC)NC(=O)NC 2708a_100000757820_106832991635 [0,2,0,0,0,0|2,0,0]=4 1184 B10R0.29 CCC(COC)NC(=O)NC 2708a_100102657272_100000757820 [0,2,0,0,0,0|2,0,0]=4 1185 B10R0.29 CCC(COC)NC(=O)NC 273464a_100000757820_100102657272 [0,2,0,0,0,0|2,0,0]=4 1186 B10R0.29 CCC(COC)NC(=O)NC 273464a_100102657272_100000757820 [0,2,0,0,0,0|2,0,0]=4 1187 B10R0.29 CCC(COC)NC(=O)NC 512a_100000757820_100102657272 [0,2,0,0,0,0|2,0,0]=4 1188 B10R0.29 CCC(COC)NC(=O)NC 512a_106832991638_100000757820 [0,2,0,0,0,0|2,0,0]=4 1189 B10R0.29 CCCC(CC(=O)OC)OC 7a_100000065524_200000210301 [0,2,0,0,0,0|1,0,0]=3 1190 B10R0.29 CCCC(CC(=O)OC)O[13CH3] 7a_100000065524_200025704644 [0,2,0,0,0,0|1,0,0]=3 1191 B10R0.29 CCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210202 [0,2,0,0,0,0|1,0,0]=3 1192 B10R0.29 CCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210202 [0,2,0,0,0,0|2,0,0]=4 1193 B10R0.29 CC[C@@H](CC(=O)OC)OCF 7a_200015357724_100015361967 [0,2,0,0,0,0|1,0,0]=3 1194 B10R0.29 COC(=O)C[C@H](CCl)OCF 7a_100000754131_100015361967 [0,2,0,0,0,0|2,0,0]=4 1195 B10R0.29 COC/C(=C\C(=O)OC)/OC 34a_100138415774_100016998490 [0,2,0,0,0,0|0,0,2]=4 1196 B10R0.54 CC[C@@H](NC(=O)C)C(=O)OC 188690a_100020627782_100015343762 [0,2,0,0,0,0|2,0,0]=4 1197 B10R0.54 COC(=O)[C@@H](CC(C)C)OC 34a_100014169393_200000210301 [0,2,0,0,0,0|1,0,1]=4 1198 B10R0.54 COC(=O)[C@@H](CC(C)C)OC 7a_100014169393_200000210301 [0,2,0,0,0,0|1,0,1]=4 1199 B10R0.54 COC(=O)[C@@H](CC(C)C)O[13CH3] 34a_100014169393_200025704644 [0,2,0,0,0,0|1,0,1]=4 1200 B10R0.54 COC(=O)[C@@H](CC(C)C)O[13CH3] 7a_100014169393_200025704644 [0,2,0,0,0,0|1,0,1]=4 1201 B10R0.79 CCOC(CC(=O)C)OCC 1458a_100000070787_100000210512 [0,2,0,0,0,0|0,0,0]=2 1202 B10R0.79 CCOC(CC(=O)C)OCC 1458a_100000082722_200000210301 [0,2,0,0,0,0|0,0,0]=2 1203 B10R0.79 CCOC(CC(=O)[13CH3])OCC 1458a_100000082722_200025704644 [0,2,0,0,0,0|0,0,0]=2 1204 B10R0.79 CCOC(CN(C)C)OCC 2230a_100102631434_100000210512 [0,2,0,0,0,0|2,0,0]=4 1205 B10R0.79 CCOC(CN(C)C)OCC 269982a_100102631434_100000733474 [0,2,0,0,0,0|2,0,0]=4 1206 B10R0.79 CCOC(CN(C)C)OCC 269982a_200000227172_200000210301 [0,2,0,0,0,0|2,0,0]=4 1207 B10R0.79 CCOC(CN(C)C)OCC 34a_200000227172_200000210301 [0,2,0,0,0,0|2,0,0]=4 1208 B10R0.79 CCOC(CN(C)[13CH3])OCC 269982a_200000227172_200025704644 [0,2,0,0,0,0|2,0,0]=4 1209 B10R0.79 CCOC(CN(C)[13CH3])OCC 34a_200000227172_200025704644 [0,2,0,0,0,0|2,0,0]=4 1210 B10R0.79 COCC(COC)NC(=O)C 11a_100011997029_100015343762 [0,2,0,0,0,0|1,0,0]=3 1211 B10R0.79 COCC(COC)NC(=O)C 1626a_100011997029_100015343762 [0,2,0,0,0,0|1,0,0]=3 1212 B10R0.79 COCC(COC)NC(=O)C 240690a_100011997029_100015343762 [0,2,0,0,0,0|1,0,0]=3 1213 B10R0.79 COCC(COC)NC(=O)C 527a_100011997029_100103153847 [0,2,0,0,0,0|1,0,0]=3 1214 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,2,0,0,0,0|2,0,0]=4 1215 B10R0.87 CC[C@H](CC(=O)O)NCOC 269956a_100016995926_100000766300 [0,2,0,0,0,0|2,0,0]=4 1216 B10R0.34 C#CCC(=O)CC(CC)CC 1458a_100011220946_100011215472 [0,2,0,0,0,0|2,0,0]=4 1217 B10R0.34 C#CCC(=O)CC(OC)OC 1458a_100000082724_100000184674 [0,2,0,0,0,0|0,0,0]=2 1218 B10R0.34 C#CCC(=O)CC(OC)OC 1458a_100011220946_100000751394 [0,2,0,0,0,0|0,0,0]=2 1219 B10R0.34 C#CCN(C)CC(OC)OC 2230a_100000225692_100000751394 [0,2,0,0,0,0|2,0,0]=4 1220 B10R0.34 C#CCN(C)CC(OC)OC 270004a_100000225692_100000752162 [0,2,0,0,0,0|2,0,0]=4 1221 B10R0.34 C#CCN(C)CC(OC)OC 34a_100000225692_100000211822 [0,2,0,0,0,0|2,0,0]=4 1222 B10R0.34 C=CCC(=O)CC(CC)CC 1458a_100000210193_100011215472 [0,2,0,0,0,0|2,0,0]=4 1223 B10R0.34 C=CCC(=O)CC(OC)OC 1458a_100000082724_100000210623 [0,2,0,0,0,0|0,0,0]=2 1224 B10R0.34 C=CCC(=O)CC(OC)OC 1458a_100000210193_100000751394 [0,2,0,0,0,0|0,0,0]=2 1225 B10R0.34 C=CCN(C)CC(OC)OC 2230a_100000225617_100000751394 [0,2,0,0,0,0|2,0,0]=4 1226 B10R0.34 C=CCN(C)CC(OC)OC 269982a_100000225562_100000210623 [0,2,0,0,0,0|2,0,0]=4 1227 B10R0.34 C=CCN(C)CC(OC)OC 270004a_100000225617_100000752162 [0,2,0,0,0,0|2,0,0]=4 1228 B10R0.34 CC#CC(=O)CC(CC)CC 1458a_100000763181_100011215472 [0,2,0,0,0,0|2,0,0]=4 1229 B10R0.34 CC#CC(=O)CC(OC)OC 1458a_100000763181_100000751394 [0,2,0,0,0,0|0,0,0]=2 1230 B10R0.34 CC=CC(=O)CC(CC)CC 1458a_100000210699_100011215472 [0,2,0,0,0,0|2,0,0]=4 1231 B10R0.34 CC=CC(=O)CC(OC)OC 1458a_100000210699_100000751394 [0,2,0,0,0,0|0,0,0]=2 1232 B10R0.34 CCC(CC)CC(=O)CC#N 1458a_100051588842_100011215472 [0,2,0,0,0,0|2,0,0]=4 1233 B10R0.34 CCC(CC)CC(=O)CCO 1458a_100011216618_100011215472 [0,2,0,0,0,0|2,0,0]=4 1234 B10R0.34 CCC(CC)CC(=O)COC 1458a_100000210968_100011215472 [0,2,0,0,0,0|2,0,0]=4 1235 B10R0.34 CCC(CC)CC(=O)CSC 1458a_100000184570_100011215472 [0,2,0,0,0,0|2,0,0]=4 1236 B10R0.34 CCCC(=O)CC(CC)CC 1458a_100000211992_100011215472 [0,2,0,0,0,0|2,0,0]=4 1237 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000082724_100000210303 [0,2,0,0,0,0|0,0,0]=2 1238 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000211992_100000751394 [0,2,0,0,0,0|0,0,0]=2 1239 B10R0.34 CCCN(C)CC(OC)OC 2230a_100000747261_100000751394 [0,2,0,0,0,0|2,0,0]=4 1240 B10R0.34 CCCN(C)CC(OC)OC 269982a_100000225562_100000210303 [0,2,0,0,0,0|2,0,0]=4 1241 B10R0.34 CCCN(C)CC(OC)OC 270004a_100000747261_100000752162 [0,2,0,0,0,0|2,0,0]=4 1242 B10R0.34 CCNC(=O)CC(OC)OC 11a_100015525214_100000082724 [0,2,0,0,0,0|0,0,0]=2 1243 B10R0.34 CCNC(=O)CC(OC)OC 240690a_100015525214_100000082724 [0,2,0,0,0,0|0,0,0]=2 1244 B10R0.34 CCNC(=O)CC(OC)OC 527a_100015525214_100000082724 [0,2,0,0,0,0|0,0,0]=2 1245 B10R0.34 CCNC(C)CC(OC)OC 270004a_100015525214_100000210484 [0,2,0,0,0,0|1,0,1]=4 1246 B10R0.34 CCOC(=O)C[C@@H](CCl)OC 7a_100000688340_200000210301 [0,2,0,0,0,0|2,0,0]=4 1247 B10R0.34 CCOC(=O)C[C@@H](CCl)O[13CH3] 7a_100000688340_200025704644 [0,2,0,0,0,0|2,0,0]=4 1248 B10R0.34 CCOC(C)CC(OC)OC 7a_100011018202_100000210202 [0,2,0,0,0,0|0,0,2]=4 1249 B10R0.34 CNNC(=O)CC(OC)OC 22a_100016993582_100000082724 [0,2,0,0,0,0|0,0,0]=2 1250 B10R0.34 COC(CC(=O)C=CBr)OC 1458a_100016273825_100000751394 [0,2,0,0,0,0|0,0,1]=3 1251 B10R0.34 COC(CC(=O)C=CCl)OC 1458a_200016279998_100000751394 [0,2,0,0,0,0|0,0,1]=3 1252 B10R0.34 COC(CC(=O)C=CI)OC 1458a_100016256311_100000751394 [0,2,0,0,0,0|0,0,1]=3 1253 B10R0.34 COC(CC(=O)CC#N)OC 1458a_100000082724_100011214920 [0,2,0,0,0,0|0,0,0]=2 1254 B10R0.34 COC(CC(=O)CC#N)OC 1458a_100051588842_100000751394 [0,2,0,0,0,0|0,0,0]=2 1255 B10R0.34 COC(CC(=O)CCF)OC 1458a_100000082724_100011217306 [0,2,0,0,0,0|0,0,0]=2 1256 B10R0.34 COC(CC(=O)CCO)OC 1458a_100000082724_100000211926 [0,2,0,0,0,0|0,0,0]=2 1257 B10R0.34 COC(CC(=O)CCO)OC 1458a_100011216618_100000751394 [0,2,0,0,0,0|0,0,0]=2 1258 B10R0.34 COC(CC(=O)CSC)OC 1458a_100000184570_100000751394 [0,2,0,0,0,0|0,0,0]=2 1259 B10R0.34 COC(CC(C)OCF)OC 7a_100011018202_100015361967 [0,2,0,0,0,0|0,0,2]=4 1260 B10R0.34 COC(CN(C)CC#N)OC 2230a_100000748184_100000751394 [0,2,0,0,0,0|2,0,0]=4 1261 B10R0.34 COC(CN(C)CC#N)OC 269982a_100000225562_100011214920 [0,2,0,0,0,0|2,0,0]=4 1262 B10R0.34 COC(CN(C)CC=O)OC 269982a_100000225562_200015260668 [0,2,0,0,0,0|1,0,0]=3 1263 B10R0.34 COC(CN(C)CCF)OC 269982a_100000225562_100011217306 [0,2,0,0,0,0|2,0,0]=4 1264 B10R0.34 COC(CN(C)CCO)OC 2230a_100000210263_100000751394 [0,2,0,0,0,0|1,0,1]=4 1265 B10R0.34 COC(CN(C)CCO)OC 269982a_100000225562_100000211926 [0,2,0,0,0,0|1,0,1]=4 1266 B10R0.34 COC(CN(C)CCO)OC 270004a_100000210263_100000752162 [0,2,0,0,0,0|1,0,1]=4 1267 B10R0.34 COC(CN(C)CSC)OC 269982a_100000225562_100011218213 [0,2,0,0,0,0|1,1,0]=4 1268 B10R0.34 COCC(=O)CC(OC)OC 1458a_100000210968_100000751394 [0,2,0,0,0,0|0,0,0]=2 1269 B10R0.34 COCN(C)CC(OC)OC 269982a_100000225562_100000766300 [0,2,0,0,0,0|1,0,1]=4 1270 B10R0.38 CCN(C)C(C)C(OC)OC 2230a_100012024948_100000210202 [0,2,0,0,0,0|2,0,0]=4 1271 B10R0.38 CCN(C)C(C)C(OC)OC 269982a_100012024948_100000204670 [0,2,0,0,0,0|2,0,0]=4 1272 B10R0.38 COC(OC)C(C)N(C)CF 269982a_100012024948_100015361967 [0,2,0,0,0,0|2,0,0]=4 1273 B10R0.53 CCC(=O)OC(OC)C(C)C 34a_100138415774_100016989192 [0,2,0,0,0,0|2,0,0]=4 1274 B10R0.134 CCC(=O)CP(=O)(OC)OC 1458a_100000034275_100000210202 [0,2,0,0,0,0|1,0,0]=3 1275 B10R0.134 CCN(C)CC(C)(OC)OC 2230a_100000225621_100000064154 [0,2,0,0,0,0|2,0,0]=4 1276 B10R0.134 CCN(C)CC(C)(OC)OC 269982a_100000225621_100000766008 [0,2,0,0,0,0|2,0,0]=4 1277 B10R0.134 CNC(=O)CP(=O)(OC)OC 240690a_100102657272_100000034275 [0,2,0,0,0,0|1,0,0]=3 1278 B10R0.134 CNC(=O)CP(=O)(OC)OC 527a_100102657272_100000034275 [0,2,0,0,0,0|1,0,0]=3 1279 B10R0.134 COP(=O)(CC(=O)CF)OC 1458a_100000034275_100015361967 [0,2,0,0,0,0|1,0,0]=3 1280 B10R0.145 CCN(CC)CC(OC)OC 2230a_100000724800_100000751394 [0,2,0,0,0,0|2,0,0]=4 1281 B10R0.145 CCN(CC)CC(OC)OC 269956a_100000042499_100000751394 [0,2,0,0,0,0|2,0,0]=4 1282 B10R0.145 CCN(CC)CC(OC)OC 270004a_100000724800_100000752162 [0,2,0,0,0,0|2,0,0]=4 1283 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [1,0,0,1,0,0|1,0,1]=4 1284 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,0,0,1,0,0|2,0,0]=4 1285 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|0,0,0]=2 1286 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [1,0,0,1,0,0|1,0,1]=4 1287 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,0,0,1,0,0|1,0,0]=3 1288 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,1,0,0|2,0,0]=4 1289 B8R1.1 CO[C@@H]1CCN(C1)C 2230a_100000766984_200000210301 [1,0,0,1,0,0|2,0,0]=4 1290 B8R1.1 CO[C@@H]1CCN(C1)C 269982a_100000766984_200000210301 [1,0,0,1,0,0|2,0,0]=4 1291 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 2230a_100000766984_200025704644 [1,0,0,1,0,0|2,0,0]=4 1292 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 269982a_100000766984_200025704644 [1,0,0,1,0,0|2,0,0]=4 1293 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,0,0,1,0,0|2,0,0]=4 1294 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|0,0,0]=2 1295 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,0,0,1,0,0|1,0,0]=3 1296 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [1,0,0,1,0,0|2,0,0]=4 1297 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [1,0,0,1,0,0|2,0,0]=4 1298 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [1,0,0,1,0,0|2,0,0]=4 1299 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [1,0,0,1,0,0|2,0,0]=4 1300 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [1,0,0,1,0,0|2,0,0]=4 1301 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [1,0,0,1,0,0|2,0,0]=4 1302 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [1,0,0,1,0,0|2,0,0]=4 1303 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [1,0,0,1,0,0|2,0,0]=4 1304 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [1,0,0,1,0,0|2,0,0]=4 1305 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [1,0,0,1,0,0|2,0,0]=4 1306 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 1307 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 1308 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|2,0,0]=4 1309 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|1,0,0]=3 1310 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|1,0,0]=3 1311 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|0,0,0]=2 1312 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|2,0,0]=4 1313 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|2,0,0]=4 1314 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 1315 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 1316 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 1317 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|2,0,0]=4 1318 B8R1.34 CN(C)CC1CCO1 2230a_100102631434_100000103362 [1,0,0,1,0,0|2,0,0]=4 1319 B8R1.34 CN(C)CC1CCO1 269982a_100102631434_100000103362 [1,0,0,1,0,0|2,0,0]=4 1320 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|1,0,0]=3 1321 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|2,0,0]=4 1322 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [1,0,0,1,0,0|1,0,0]=3 1323 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [1,0,0,1,0,0|0,0,0]=2 1324 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [1,0,0,1,0,0|2,0,0]=4 1325 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [1,0,0,1,0,0|2,0,0]=4 1326 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [1,0,0,1,0,0|2,0,0]=4 1327 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [1,0,0,1,0,0|2,0,0]=4 1328 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [1,0,0,1,0,0|1,0,0]=3 1329 B8R1.42 CN(C)CC1(CO1)C 269982a_100102631434_100000760498 [1,0,0,1,0,0|2,0,0]=4 1330 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [1,0,0,1,0,0|2,0,0]=4 1331 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|1,0,0]=3 1332 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|1,0,0]=3 1333 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [1,0,0,1,0,0|2,0,0]=4 1334 B8R1.53 COC1CS(=O)(=O)C1 34a_100000072295_200000210301 [1,0,0,1,0,0|2,0,0]=4 1335 B8R1.53 COC1CS(=O)(=O)C1 7a_100000072295_200000210301 [1,0,0,1,0,0|2,0,0]=4 1336 B8R1.53 [13CH3]OC1CS(=O)(=O)C1 34a_100000072295_200025704644 [1,0,0,1,0,0|2,0,0]=4 1337 B8R1.53 [13CH3]OC1CS(=O)(=O)C1 7a_100000072295_200025704644 [1,0,0,1,0,0|2,0,0]=4 1338 B8R1.62 COC1(CN(C1)C)C 2230a_100000695453_200000210301 [1,0,0,1,0,0|2,0,0]=4 1339 B8R1.62 COC1(CN(C1)C)C 269982a_100000695453_200000210301 [1,0,0,1,0,0|2,0,0]=4 1340 B8R1.62 COC1(CN(C1)[13CH3])C 2230a_100000695453_200025704644 [1,0,0,1,0,0|2,0,0]=4 1341 B8R1.62 COC1(CN(C1)[13CH3])C 269982a_100000695453_200025704644 [1,0,0,1,0,0|2,0,0]=4 1342 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [1,0,0,1,0,0|1,0,1]=4 1343 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,0,0,1,0,0|1,0,1]=4 1344 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,1,0,0|1,0,1]=4 1345 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,1,0,0|1,0,1]=4 1346 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,1,0,0|1,0,1]=4 1347 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,1,0,0|0,0,1]=3 1348 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,1,0,0|2,0,0]=4 1349 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,1,0,0|2,0,0]=4 1350 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,0,0,1,0,0|2,0,0]=4 1351 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [1,0,0,1,0,0|1,0,1]=4 1352 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,0,0,1,0,0|1,0,1]=4 1353 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,1,0,0|1,0,1]=4 1354 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,1,0,0|1,0,1]=4 1355 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,1,0,0|0,0,1]=3 1356 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,1,0,0|2,0,0]=4 1357 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,0,0,1,0,0|2,0,0]=4 1358 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [1,0,0,1,0,0|2,0,0]=4 1359 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [1,0,0,1,0,0|2,0,0]=4 1360 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [1,0,0,1,0,0|1,0,0]=3 1361 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [1,0,0,1,0,0|1,0,0]=3 1362 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [1,0,0,1,0,0|1,0,0]=3 1363 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [1,0,0,1,0,0|1,0,0]=3 1364 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [1,0,0,1,0,0|1,0,0]=3 1365 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [1,0,0,1,0,0|2,0,0]=4 1366 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [1,0,0,1,0,0|2,0,0]=4 1367 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,0,0,1,0,0|2,0,0]=4 1368 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,0,0,1,0,0|2,0,0]=4 1369 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [1,0,0,1,0,0|1,0,0]=3 1370 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [1,0,0,1,0,0|1,0,0]=3 1371 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,0,0,1,0,0|2,0,0]=4 1372 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,0,0,1,0,0|2,0,0]=4 1373 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [1,0,0,1,0,0|1,0,0]=3 1374 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [1,0,0,1,0,0|1,0,0]=3 1375 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [1,0,0,1,0,0|1,0,0]=3 1376 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [1,0,0,1,0,0|1,0,0]=3 1377 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [1,0,0,1,0,0|2,0,0]=4 1378 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [1,0,0,1,0,0|2,0,0]=4 1379 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,0,0,1,0,0|2,0,0]=4 1380 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,0,0,1,0,0|2,0,0]=4 1381 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [1,0,0,1,0,0|1,0,0]=3 1382 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,0,0,1,0,0|2,0,0]=4 1383 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,0,0,1,0,0|2,0,0]=4 1384 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [1,0,0,1,0,0|1,0,0]=3 1385 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [1,0,0,1,0,0|1,0,0]=3 1386 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,0,0,1,0,0|1,0,1]=4 1387 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,0,0,1,0,0|1,0,1]=4 1388 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,0,0,1,0,0|1,0,1]=4 1389 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,0,0,1,0,0|1,0,1]=4 1390 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [1,0,0,1,0,0|2,0,0]=4 1391 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [1,0,0,1,0,0|2,0,0]=4 1392 B8R1.33 CCC(OC)C1CC1 34a_100011351122_200000210301 [1,0,0,1,0,0|1,0,1]=4 1393 B8R1.33 CCC(OC)C1CC1 7a_100011351122_200000210301 [1,0,0,1,0,0|1,0,1]=4 1394 B8R1.33 CCC(O[13CH3])C1CC1 34a_100011351122_200025704644 [1,0,0,1,0,0|1,0,1]=4 1395 B8R1.33 CCC(O[13CH3])C1CC1 7a_100011351122_200025704644 [1,0,0,1,0,0|1,0,1]=4 1396 B8R1.60 CCC1(COC1)OC 7a_100010739965_200000210301 [1,0,0,1,0,0|2,0,0]=4 1397 B8R1.60 CCC1(COC1)O[13CH3] 7a_100010739965_200025704644 [1,0,0,1,0,0|2,0,0]=4 1398 B8R1.82 CCC1(CO1)CNC 34a_100102657272_200000139556 [1,0,0,1,0,0|2,0,0]=4 1399 B8R1.82 CCC1(CO1)CNC 7a_106832991635_200000139556 [1,0,0,1,0,0|2,0,0]=4 1400 B8R1.82 CCC1(CO1)COC 34a_100138415774_200000139556 [1,0,0,1,0,0|2,0,0]=4 1401 B8R1.82 CCC1(CO1)CSC 62a_200000139556_200000210301 [1,0,0,1,0,0|2,0,0]=4 1402 B8R1.82 CCC1(CO1)CSC 62a_200000210301_200000139556 [1,0,0,1,0,0|2,0,0]=4 1403 B8R1.82 CCC1(CO1)CS[13CH3] 62a_200000139556_200025704644 [1,0,0,1,0,0|2,0,0]=4 1404 B8R1.82 CCC1(CO1)CS[13CH3] 62a_200025704644_200000139556 [1,0,0,1,0,0|2,0,0]=4 1405 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,1,1,0|2,0,0]=4 1406 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,1,1,0|2,0,0]=4 1407 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,1,1,0|1,1,0]=4 1408 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,1,1,0|1,0,0]=3 1409 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,1,1,0|2,0,0]=4 1410 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,1,1,0|1,1,0]=4 1411 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,1,1,0|1,0,0]=3 1412 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_100000086384_200025704644 [0,0,0,1,1,0|1,1,0]=4 1413 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_200025704644_100000086384 [0,0,0,1,1,0|1,1,0]=4 1414 B8R1.63 COC1(CC1)C(=O)C 1458a_100000137688_200000210301 [0,0,0,1,1,0|1,0,0]=3 1415 B8R1.63 COC1(CC1)C(=O)N 34a_100138415774_100010760883 [0,0,0,1,1,0|2,0,0]=4 1416 B8R1.63 COC1(CC1)C(=O)[13CH3] 1458a_100000137688_200025704644 [0,0,0,1,1,0|1,0,0]=3 1417 B8R1.63 CSC1(CC1)C(=O)C 62a_100000086384_200000210301 [0,0,0,1,1,0|1,1,0]=4 1418 B8R1.63 CSC1(CC1)C(=O)C 62a_200000210301_100000086384 [0,0,0,1,1,0|1,1,0]=4 1419 B10R1.31 CC(=O)N1CCC(C1)N[13CH3] 2230a_100000705975_200025704644 [0,0,0,1,0,1|2,0,0]=4 1420 B10R1.31 CC(=O)N1CC[C@@H](C1)O[13CH3] 7a_100012000934_200025704644 [0,0,0,1,0,1|1,0,0]=3 1421 B10R1.31 CNC1CCN(C1)C(=O)C 2230a_100000705975_200000210301 [0,0,0,1,0,1|2,0,0]=4 1422 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 11a_100000766984_100015343762 [0,0,0,1,0,1|1,0,0]=3 1423 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 1626a_100000766984_100015343762 [0,0,0,1,0,1|1,0,0]=3 1424 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 240690a_100000766984_100015343762 [0,0,0,1,0,1|1,0,0]=3 1425 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 527a_100000766984_100103153847 [0,0,0,1,0,1|1,0,0]=3 1426 B10R1.31 CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_200000210301 [0,0,0,1,0,1|1,0,0]=3 1427 B10R1.66 C=C(C)COC1CCCO1 34a_100000085407_100000748629 [0,0,0,1,0,1|2,0,0]=4 1428 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,0,0,1,0,1|2,0,0]=4 1429 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,0,0,1,0,1|2,0,0]=4 1430 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,0,0,1,0,1|1,0,0]=3 1431 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,0,0,1,0,1|0,0,0]=2 1432 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,0,0,1,0,1|0,0,0]=2 1433 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,0,0,1,0,1|2,0,0]=4 1434 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,0,0,1,0,1|2,0,0]=4 1435 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,0,0,1,0,1|2,0,0]=4 1436 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,0,0,1,0,1|2,0,0]=4 1437 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,0,0,1,0,1|2,0,0]=4 1438 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,0,0,1,0,1|2,0,0]=4 1439 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,0,0,1,0,1|2,0,0]=4 1440 B10R1.66 CC(=O)NCC1OCCO1 11a_100000036311_100015343762 [0,0,0,1,0,1|0,0,0]=2 1441 B10R1.66 CC(=O)NCC1OCCO1 1626a_100000036311_100015343762 [0,0,0,1,0,1|0,0,0]=2 1442 B10R1.66 CC(=O)NCC1OCCO1 527a_100000036311_100103153847 [0,0,0,1,0,1|0,0,0]=2 1443 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,0,0,1,0,1|1,0,0]=3 1444 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,0,0,1,0,1|1,0,0]=3 1445 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,0,0,1,0,1|1,0,0]=3 1446 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,0,0,1,0,1|1,0,0]=3 1447 B10R1.66 CC(C)NCC1OCCO1 2230a_100000036311_100000210206 [0,0,0,1,0,1|1,0,1]=4 1448 B10R1.66 CC(C)NCC1OCCO1 2230a_100138425928_100000755774 [0,0,0,1,0,1|1,0,1]=4 1449 B10R1.66 CC(C)NCC1OCCO1 34a_100000036311_100000210206 [0,0,0,1,0,1|1,0,1]=4 1450 B10R1.66 CC(C)NCC1OCCO1 34a_100138425928_100000755774 [0,0,0,1,0,1|1,0,1]=4 1451 B10R1.66 CC(C)OCC1OCCO1 34a_100000087154_100000210206 [0,0,0,1,0,1|1,0,1]=4 1452 B10R1.66 CC(C)OCC1OCCO1 34a_100000212225_100000755774 [0,0,0,1,0,1|1,0,1]=4 1453 B10R1.66 CC(C)SCC1OCCO1 62a_100000210206_100000755774 [0,0,0,1,0,1|1,0,1]=4 1454 B10R1.66 CC(C)SCC1OCCO1 62a_100000755774_100000210206 [0,0,0,1,0,1|1,0,1]=4 1455 B10R1.66 CN(C)CCC1OCCO1 2230a_100102631434_100000740749 [0,0,0,1,0,1|2,0,0]=4 1456 B10R1.66 CN(C)CCC1OCCO1 269982a_100102631434_100000740749 [0,0,0,1,0,1|2,0,0]=4 1457 B10R1.66 NC(=O)COC1CCCO1 34a_100000085407_100000187820 [0,0,0,1,0,1|2,0,0]=4 1458 B10R1.66 O=C([O-])COC1CCCO1 34a_100000085407_100020667443 [0,0,0,1,0,1|2,0,0]=4 1459 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,0,0,1,0,1|2,0,0]=4 1460 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,0,0,1,0,1|1,0,0]=3 1461 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,0,0,1,0,1|0,0,0]=2 1462 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,0,0,1,0,1|2,0,0]=4 1463 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,0,0,1,0,1|2,0,0]=4 1464 B10R1.123 COC(CNC1CC1)OC 34a_100000212008_100000211822 [0,0,0,1,0,1|1,0,1]=4 1465 B10R1.123 COC(COC1CC1)OC 34a_100011216393_100000211595 [0,0,0,1,0,1|1,0,1]=4 1466 B10R1.123 COC(CSC1CC1)OC 62a_100000751394_100000211595 [0,0,0,1,0,1|1,0,1]=4 1467 B10R1.237 COC1(CCN(C1)C)OC 2230a_100025715670_200000210301 [0,0,0,1,0,1|2,0,0]=4 1468 B10R1.237 COC1(CCN(C1)C)OC 269982a_100025715670_200000210301 [0,0,0,1,0,1|2,0,0]=4 1469 B10R1.237 COC1(CCN(C1)[13CH3])OC 2230a_100025715670_200025704644 [0,0,0,1,0,1|2,0,0]=4 1470 B10R1.237 COC1(CCN(C1)[13CH3])OC 269982a_100025715670_200025704644 [0,0,0,1,0,1|2,0,0]=4 1471 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,1,0,0|1,0,0]=3 1472 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,1,0,1,0,0|2,0,0]=4 1473 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,1,0,1,0,0|2,0,0]=4 1474 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,1,0,1,0,0|2,0,0]=4 1475 B10R1.10 COCC1CN(CCO1)C 2230a_100000760289_200000210301 [0,1,0,1,0,0|2,0,0]=4 1476 B10R1.10 COCC1CN(CCO1)C 269982a_100000760289_200000210301 [0,1,0,1,0,0|2,0,0]=4 1477 B10R1.10 COCC1CN(CCO1)C 34a_100000760289_200000210301 [0,1,0,1,0,0|2,0,0]=4 1478 B10R1.10 COCC1CN(CCO1)[13CH3] 2230a_100000760289_200025704644 [0,1,0,1,0,0|2,0,0]=4 1479 B10R1.10 COCC1CN(CCO1)[13CH3] 269982a_100000760289_200025704644 [0,1,0,1,0,0|2,0,0]=4 1480 B10R1.10 COCC1CN(CCO1)[13CH3] 34a_100000760289_200025704644 [0,1,0,1,0,0|2,0,0]=4 1481 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,1,0,1,0,0|1,0,0]=3 1482 B10R1.10 O=C1C[C@@H](CCN1)OCF 34a_100015189427_100015361967 [0,1,0,1,0,0|2,0,0]=4 1483 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,1,0,1,0,0|2,0,0]=4 1484 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,1,0,1,0,0|2,0,0]=4 1485 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,1,0,1,0,0|2,0,0]=4 1486 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,1,0,1,0,0|2,0,0]=4 1487 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,1,0,1,0,0|1,0,0]=3 1488 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,1,0,1,0,0|1,0,0]=3 1489 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,1,0,1,0,0|1,0,0]=3 1490 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,1,0,1,0,0|1,0,0]=3 1491 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,1,0,1,0,0|2,0,0]=4 1492 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,1,0,1,0,0|2,0,0]=4 1493 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,1,0,1,0,0|2,0,0]=4 1494 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,1,0,1,0,0|2,0,0]=4 1495 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,1,0,1,0,0|2,0,0]=4 1496 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,1,0,1,0,0|2,0,0]=4 1497 B10R1.18 CN(C)CC1COCCO1 2230a_100011398995_200000210301 [0,1,0,1,0,0|2,0,0]=4 1498 B10R1.18 CN(C)CC1COCCO1 269982a_100011398995_200000210301 [0,1,0,1,0,0|2,0,0]=4 1499 B10R1.18 CN(C)CC1COCCO1 34a_100011398995_200000210301 [0,1,0,1,0,0|2,0,0]=4 1500 B10R1.18 CN([13CH3])CC1COCCO1 2230a_100011398995_200025704644 [0,1,0,1,0,0|2,0,0]=4 1501 B10R1.18 CN([13CH3])CC1COCCO1 269982a_100011398995_200025704644 [0,1,0,1,0,0|2,0,0]=4 1502 B10R1.18 CN([13CH3])CC1COCCO1 34a_100011398995_200025704644 [0,1,0,1,0,0|2,0,0]=4 1503 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,1,0,1,0,0|2,0,0]=4 1504 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,1,0,1,0,0|1,0,0]=3 1505 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,1,0,1,0,0|1,0,0]=3 1506 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,1,0,1,0,0|2,0,0]=4 1507 B10R1.32 CO[C@H]1CN(C[C@H]1OC)C 2230a_100103007931_200000210301 [0,1,0,1,0,0|2,0,0]=4 1508 B10R1.32 CO[C@H]1CN(C[C@H]1OC)C 269982a_100103007931_200000210301 [0,1,0,1,0,0|2,0,0]=4 1509 B10R1.32 CO[C@H]1CN(C[C@H]1OC)[13CH3] 2230a_100103007931_200025704644 [0,1,0,1,0,0|2,0,0]=4 1510 B10R1.32 CO[C@H]1CN(C[C@H]1OC)[13CH3] 269982a_100103007931_200025704644 [0,1,0,1,0,0|2,0,0]=4 1511 B10R1.54 CC(=O)CC1CCN(C1)C 1458a_100000070787_200000690779 [0,1,0,1,0,0|2,0,0]=4 1512 B10R1.86 COCC1CCN1C(=O)C 11a_100015195929_100015343762 [0,1,0,1,0,0|2,0,0]=4 1513 B10R1.86 COCC1CCN1C(=O)C 1626a_100015195929_100015343762 [0,1,0,1,0,0|2,0,0]=4 1514 B10R1.86 COCC1CCN1C(=O)C 240690a_100015195929_100015343762 [0,1,0,1,0,0|2,0,0]=4 1515 B10R1.86 COCC1CCN1C(=O)C 527a_100015195929_100103153847 [0,1,0,1,0,0|2,0,0]=4 1516 B10R1.227 CC(=O)CC1(COC1)CO 1458a_100000070787_100000685550 [0,1,0,1,0,0|2,0,0]=4 1517 B10R1.227 CCC1(COC1)CC(=O)C 1458a_100000070787_200009907690 [0,1,0,1,0,0|1,0,0]=3 1518 B10R1.227 CNC1(COC1)CC(=O)N 2230a_100010899716_200000210301 [0,1,0,1,0,0|2,0,0]=4 1519 B10R1.227 [13CH3]NC1(COC1)CC(=O)N 2230a_100010899716_200025704644 [0,1,0,1,0,0|2,0,0]=4 1520 B10R1.27 C#CC(=O)CC1CCCO1 1458a_100000211873_100000203698 [0,1,0,1,0,0|1,0,1]=4 1521 B10R1.27 C#CC(=O)CC1OCCO1 1458a_100000211873_100000755774 [0,1,0,1,0,0|0,0,1]=3 1522 B10R1.27 C=CC(=O)CC1CCCO1 1458a_100000185746_100000203698 [0,1,0,1,0,0|1,0,1]=4 1523 B10R1.27 C=CC(=O)CC1OCCO1 1458a_100000185746_100000755774 [0,1,0,1,0,0|0,0,1]=3 1524 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,1,0,0|2,0,0]=4 1525 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,1,0,0|2,0,0]=4 1526 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,1,0,1,0,0|1,0,0]=3 1527 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [0,1,0,1,0,0|0,0,0]=2 1528 B10R1.27 CCN(C)CC1OCCO1 2230a_100000225621_100000755774 [0,1,0,1,0,0|2,0,0]=4 1529 B10R1.27 CCN(C)CC1OCCO1 2230a_200000032744_100000210202 [0,1,0,1,0,0|2,0,0]=4 1530 B10R1.27 CCN(C)CC1OCCO1 269982a_100000225621_100000755774 [0,1,0,1,0,0|2,0,0]=4 1531 B10R1.27 CCN(C)CC1OCCO1 269982a_200000032744_100000204670 [0,1,0,1,0,0|2,0,0]=4 1532 B10R1.27 CCN(C)CC1OCCO1 34a_200000032744_100000210202 [0,1,0,1,0,0|2,0,0]=4 1533 B10R1.27 CN(CF)CC1OCCO1 269982a_200000032744_100015361967 [0,1,0,1,0,0|2,0,0]=4 1534 B10R1.27 CN(CF)CC1OCCO1 34a_200000032744_100015361967 [0,1,0,1,0,0|2,0,0]=4 1535 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,1,0,1,0,0|2,0,0]=4 1536 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,1,0,1,0,0|2,0,0]=4 1537 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,1,0,1,0,0|2,0,0]=4 1538 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,1,0,1,0,0|2,0,0]=4 1539 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,1,0,1,0,0|2,0,0]=4 1540 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,1,0,0|2,0,0]=4 1541 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,1,0,1,0,0|1,0,0]=3 1542 B10R1.27 O=C(CO)CC1OCCO1 1458a_100000210174_100000755774 [0,1,0,1,0,0|0,0,0]=2 1543 B10R1.34 CN1C(=O)C[C@@H](C1=O)O[13CH3] 34a_200015776404_200025704644 [0,1,0,1,0,0|2,0,0]=4 1544 B10R1.34 CO[C@H]1CC(=O)N(C1=O)C 34a_200015776404_200000210301 [0,1,0,1,0,0|2,0,0]=4 1545 B10R1.176 CN1CCC(CC1=O)N[13CH3] 2230a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 1546 B10R1.176 CN1CCC(CC1=O)N[13CH3] 34a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 1547 B10R1.176 CNC1CCN(C(=O)C1)C 2230a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 1548 B10R1.176 CNC1CCN(C(=O)C1)C 34a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 1549 B10R1.592 C#CC(=O)CC1(CO1)CC 1458a_100000211873_200000139556 [0,1,0,1,0,0|1,0,1]=4 1550 B10R1.592 C=CC(=O)CC1(CO1)CC 1458a_100000185746_200000139556 [0,1,0,1,0,0|1,0,1]=4 1551 B10R1.592 CCC(=O)CC1(CO1)CC 1458a_100000210414_200000139556 [0,1,0,1,0,0|1,0,0]=3 1552 B10R1.592 CCC1(CO1)CC(=O)CO 1458a_100000210174_200000139556 [0,1,0,1,0,0|1,0,0]=3 1553 B10R1.370 CC(=O)CC1(OCCO1)C 1458a_100000137474_200000210301 [0,1,0,1,0,0|0,0,0]=2 1554 B10R1.370 CC1(OCCO1)CC(=O)[13CH3] 1458a_100000137474_200025704644 [0,1,0,1,0,0|0,0,0]=2 1555 B10R1.370 CN(C)CC1(OCCO1)C 269982a_100102631434_100009818610 [0,1,0,1,0,0|2,0,0]=4 1556 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [1,0,0,0,1,0|1,0,1]=4 1557 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,0,0,0,1,0|1,0,1]=4 1558 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,0,0,0,1,0|1,0,1]=4 1559 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [1,0,0,0,1,0|2,0,0]=4 1560 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [1,0,0,0,1,0|1,0,1]=4 1561 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [1,0,0,0,1,0|1,0,1]=4 1562 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [1,0,0,0,1,0|2,0,0]=4 1563 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [1,0,0,0,1,0|2,0,0]=4 1564 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,0,0,1,0|0,0,0]=2 1565 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,0,0,1,0|0,1,0]=3 1566 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,0,0,1,0|0,1,0]=3 1567 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,0,0,0,1,0|2,0,0]=4 1568 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [1,0,0,0,1,0|2,0,0]=4 1569 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [1,0,0,0,1,0|1,0,1]=4 1570 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,0,0,0,1,0|1,1,0]=4 1571 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,0,0,0,1,0|1,1,0]=4 1572 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,0,0,1,0|1,0,0]=3 1573 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,0,0,1,0|1,0,0]=3 1574 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,0,0,1,0|1,0,0]=3 1575 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,0,0,1,0|1,0,0]=3 1576 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,0,0,1,0|1,0,0]=3 1577 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,0,0,1,0|2,0,0]=4 1578 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,0,0,1,0|2,0,0]=4 1579 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,0,0,1,0|2,0,0]=4 1580 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,0,0,1,0|2,0,0]=4 1581 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,0,0,1,0|1,0,0]=3 1582 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,0,0,1,0|1,0,0]=3 1583 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,0,0,0,1,0|2,0,0]=4 1584 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,0,0,0,1,0|2,0,0]=4 1585 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,0,0,0,1,0|2,0,0]=4 1586 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,0,0,0,1,0|2,0,0]=4 1587 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,0,0,0,1,0|2,0,0]=4 1588 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,0,0,0,1,0|2,0,0]=4 1589 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,0,0,1,0|0,0,0]=2 1590 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,0,0,1,0|0,0,0]=2 1591 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,0,0,0,1,0|1,0,0]=3 1592 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,0,0,1,0|0,0,0]=2 1593 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [1,0,0,0,1,0|1,0,1]=4 1594 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [1,0,0,0,1,0|2,0,0]=4 1595 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,0,0,0,1,0|2,0,0]=4 1596 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,0,0,0,1,0|2,0,0]=4 1597 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,0,0,0,1,0|1,0,0]=3 1598 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,0,0,0,1,0|1,0,0]=3 1599 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,0,0,0,1,0|1,0,0]=3 1600 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,0,0,1,0|0,1,0]=3 1601 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,0,0,1,0|0,1,0]=3 1602 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,0,0,1,0|0,1,0]=3 1603 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,0,0,0,1,0|1,1,0]=4 1604 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,0,0,0,1,0|1,1,0]=4 1605 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,0,0,1,0|0,1,0]=3 1606 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,0,0,0,1,0|2,0,0]=4 1607 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,0,0,0,1,0|2,0,0]=4 1608 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,0,0,0,1,0|1,0,0]=3 1609 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,0,0,0,1,0|1,0,0]=3 1610 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,0,0,0,1,0|2,0,0]=4 1611 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,0,0,0,1,0|1,0,0]=3 1612 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,0,0,0,1,0|2,0,0]=4 1613 B8R0.9 C#CC(C)OCC(=O)C 34a_100000211253_200000035995 [1,0,0,0,0,1|1,0,1]=4 1614 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [1,0,0,0,0,1|2,0,0]=4 1615 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [1,0,0,0,0,1|2,0,0]=4 1616 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [1,0,0,0,0,1|2,0,0]=4 1617 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [1,0,0,0,0,1|2,0,0]=4 1618 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [1,0,0,0,0,1|2,0,0]=4 1619 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [1,0,0,0,0,1|2,0,0]=4 1620 B8R0.9 C=C(C)CSC(C)OC 62a_100000748629_100009879195 [1,0,0,0,0,1|1,0,0]=3 1621 B8R0.9 C=C(C)CSC(C)OC 62a_100009879195_100000211660 [1,0,0,0,0,1|1,0,0]=3 1622 B8R0.9 C=C(F)CSC(C)OC 62a_100000042424_100009879195 [1,0,0,0,0,1|1,0,1]=4 1623 B8R0.9 C=C(F)CSC(C)OC 62a_100009879195_100000042424 [1,0,0,0,0,1|1,0,1]=4 1624 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [1,0,0,0,0,1|2,0,0]=4 1625 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [1,0,0,0,0,1|2,0,0]=4 1626 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [1,0,0,0,0,1|2,0,0]=4 1627 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [1,0,0,0,0,1|2,0,0]=4 1628 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [1,0,0,0,0,1|2,0,0]=4 1629 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [1,0,0,0,0,1|1,0,1]=4 1630 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [1,0,0,0,0,1|1,0,1]=4 1631 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,0,0,0,0,1|1,0,0]=3 1632 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,0,0,0,0,1|1,0,0]=3 1633 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,0,0,0,0,1|1,0,0]=3 1634 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,0,0,0,0,1|1,0,0]=3 1635 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,0,0,0,0,1|1,0,0]=3 1636 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,0,0,0,0,1|1,0,0]=3 1637 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [1,0,0,0,0,1|2,0,0]=4 1638 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [1,0,0,0,0,1|2,0,0]=4 1639 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,0,0,0,0,1|2,0,0]=4 1640 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [1,0,0,0,0,1|2,0,0]=4 1641 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,0,0,0,0,1|1,0,0]=3 1642 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [1,0,0,0,0,1|2,0,0]=4 1643 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [1,0,0,0,0,1|2,0,0]=4 1644 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [1,0,0,0,0,1|2,0,0]=4 1645 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [1,0,0,0,0,1|2,0,0]=4 1646 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [1,0,0,0,0,1|2,0,0]=4 1647 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,0,0,0,0,1|1,0,0]=3 1648 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,0,0,0,0,1|1,0,0]=3 1649 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,0,0,0,0,1|1,0,0]=3 1650 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [1,0,0,0,0,1|2,0,0]=4 1651 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [1,0,0,0,0,1|2,0,0]=4 1652 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [1,0,0,0,0,1|2,0,0]=4 1653 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [1,0,0,0,0,1|2,0,0]=4 1654 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [1,0,0,0,0,1|1,0,0]=3 1655 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,0,0,0,0,1|0,0,2]=4 1656 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,0,0,0,0,1|0,0,2]=4 1657 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [1,0,0,0,0,1|0,0,2]=4 1658 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [1,0,0,0,0,1|0,0,2]=4 1659 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [1,0,0,0,0,1|0,0,2]=4 1660 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [1,0,0,0,0,1|1,0,1]=4 1661 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [1,0,0,0,0,1|1,0,1]=4 1662 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [1,0,0,0,0,1|1,0,1]=4 1663 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [1,0,0,0,0,1|1,0,1]=4 1664 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [1,0,0,0,0,1|1,0,0]=3 1665 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [1,0,0,0,0,1|1,0,0]=3 1666 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [1,0,0,0,0,1|1,0,0]=3 1667 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [1,0,0,0,0,1|1,0,0]=3 1668 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [1,0,0,0,0,1|1,0,0]=3 1669 B8R0.9 COC(C)SCC(C)C 62a_100000210624_100009879195 [1,0,0,0,0,1|1,0,1]=4 1670 B8R0.9 COC(C)SCC(C)C 62a_100009879195_100000210760 [1,0,0,0,0,1|1,0,1]=4 1671 B8R0.9 COC(C)SCC(C)O 62a_100009879195_100011218427 [1,0,0,0,0,1|0,0,2]=4 1672 B8R0.9 COC(C)SCC(C)O 62a_100011218427_100009879195 [1,0,0,0,0,1|0,0,2]=4 1673 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009817552_100009879195 [1,0,0,0,0,1|0,0,2]=4 1674 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009879195_100009817552 [1,0,0,0,0,1|0,0,2]=4 1675 B8R0.9 COC(C)SC[N+](=O)[O-] 62a_100009879195_100000761209 [1,0,0,0,0,1|2,0,0]=4 1676 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [1,0,0,0,0,1|0,0,0]=2 1677 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [1,0,0,0,0,1|0,0,0]=2 1678 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [1,0,0,0,0,1|0,0,0]=2 1679 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [1,0,0,0,0,1|0,0,0]=2 1680 B8R0.9 CO[C@H](C)CNC(C)C 2230a_100020591295_100000210206 [1,0,0,0,0,1|1,0,1]=4 1681 B10R0.77 C=C(C)COCC(CC)OC 34a_100011934954_100000748629 [0,0,0,0,0,2|2,0,0]=4 1682 B10R0.77 C=C(C)COCC(CC)OC 7a_100011934954_100000748629 [0,0,0,0,0,2|2,0,0]=4 1683 B10R0.77 C=C(C)COCC(OC)OC 34a_100000210245_100000211822 [0,0,0,0,0,2|1,0,0]=3 1684 B10R0.77 C=C(C)COCC(OC)OC 34a_100011216393_100000748629 [0,0,0,0,0,2|1,0,0]=3 1685 B10R0.77 C=C(C)CSCC(OC)OC 62a_100000748629_100000751394 [0,0,0,0,0,2|1,0,0]=3 1686 B10R0.77 C=C(C)CSCC(OC)OC 62a_100000751394_100000211660 [0,0,0,0,0,2|1,0,0]=3 1687 B10R0.77 C=C(F)COCC(OC)OC 34a_100011216393_100009893438 [0,0,0,0,0,2|1,0,1]=4 1688 B10R0.77 C=C(F)COCC(OC)OC 34a_200010262243_100000211822 [0,0,0,0,0,2|1,0,1]=4 1689 B10R0.77 C=C(F)CSCC(OC)OC 62a_100000042424_100000751394 [0,0,0,0,0,2|1,0,1]=4 1690 B10R0.77 C=C(F)CSCC(OC)OC 62a_100000751394_100000042424 [0,0,0,0,0,2|1,0,1]=4 1691 B10R0.77 CCC(CC)COCC(=O)C 34a_100000211253_100011215472 [0,0,0,0,0,2|2,0,0]=4 1692 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000688536_100000053229 [0,0,0,0,0,2|2,0,0]=4 1693 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000759926_100000210505 [0,0,0,0,0,2|2,0,0]=4 1694 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000053229_100000210505 [0,0,0,0,0,2|2,0,0]=4 1695 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000210505_100000053229 [0,0,0,0,0,2|2,0,0]=4 1696 B10R0.77 CCC(CC)SCOC(=O)C 62a_100000076356_100000210505 [0,0,0,0,0,2|2,0,0]=4 1697 B10R0.77 CCC(CC)SCOC(=O)C 62a_100000210505_100000076356 [0,0,0,0,0,2|2,0,0]=4 1698 B10R0.77 CCC(COCC(=O)N)OC 34a_100011934954_100000187820 [0,0,0,0,0,2|2,0,0]=4 1699 B10R0.77 CCC(COCC(=O)N)OC 7a_100011934954_100000187820 [0,0,0,0,0,2|2,0,0]=4 1700 B10R0.77 CCC(COCC(=O)[O-])OC 34a_100011934954_100020667443 [0,0,0,0,0,2|2,0,0]=4 1701 B10R0.77 COC(C=NNC(=O)C)OC 4a_100000189765_100000752162 [0,0,0,0,0,2|0,0,1]=3 1702 B10R0.77 COC(CCCC(=O)C)OC 1458a_100000070787_100000069011 [0,0,0,0,0,2|0,0,0]=2 1703 B10R0.77 COC(CCCN(C)C)OC 2230a_100102631434_100000069011 [0,0,0,0,0,2|2,0,0]=4 1704 B10R0.77 COC(CCCN(C)C)OC 269982a_100102631434_100000069011 [0,0,0,0,0,2|2,0,0]=4 1705 B10R0.77 COC(CCNC(C)C)OC 2230a_100138425928_100009813347 [0,0,0,0,0,2|1,0,1]=4 1706 B10R0.77 COC(CCNC(C)C)OC 34a_100138425928_100000139399 [0,0,0,0,0,2|1,0,1]=4 1707 B10R0.77 COC(CCOC(C)C)OC 34a_100000212225_100000139399 [0,0,0,0,0,2|1,0,1]=4 1708 B10R0.77 COC(CCSC(C)C)OC 62a_100000139399_100000210206 [0,0,0,0,0,2|1,0,1]=4 1709 B10R0.77 COC(CCSC(C)C)OC 62a_100000210206_100000139399 [0,0,0,0,0,2|1,0,1]=4 1710 B10R0.77 COC(CNCC(=O)N)OC 2230a_100000711301_100000751394 [0,0,0,0,0,2|1,0,0]=3 1711 B10R0.77 COC(CNCC(=O)O)OC 269956a_100016091260_100000751394 [0,0,0,0,0,2|1,0,0]=3 1712 B10R0.77 COC(CNCC(C)C)OC 2230a_100000210953_100000751394 [0,0,0,0,0,2|1,0,1]=4 1713 B10R0.77 COC(CNCC(C)C)OC 270004a_100000210479_100000210432 [0,0,0,0,0,2|1,0,1]=4 1714 B10R0.77 COC(CNCC(C)C)OC 270004a_100000210953_100000752162 [0,0,0,0,0,2|1,0,1]=4 1715 B10R0.77 COC(CNCC(C)C)OC 34a_100000210953_100000211822 [0,0,0,0,0,2|1,0,1]=4 1716 B10R0.77 COC(CNCC(C)O)OC 2230a_100000210904_100000751394 [0,0,0,0,0,2|0,0,2]=4 1717 B10R0.77 COC(CNCC(C)O)OC 270004a_100000210904_100000752162 [0,0,0,0,0,2|0,0,2]=4 1718 B10R0.77 COC(CNCC(C)O)OC 34a_100000210904_100000211822 [0,0,0,0,0,2|0,0,2]=4 1719 B10R0.77 COC(COCC(=O)C)OC 34a_100000211253_100000211822 [0,0,0,0,0,2|0,0,0]=2 1720 B10R0.77 COC(COCC(=O)N)OC 34a_100011216393_100000187820 [0,0,0,0,0,2|1,0,0]=3 1721 B10R0.77 COC(COCC(=O)[O-])OC 34a_100011216393_100020667443 [0,0,0,0,0,2|1,0,0]=3 1722 B10R0.77 COC(COCC(C)Br)OC 34a_100012180447_100000211822 [0,0,0,0,0,2|1,0,1]=4 1723 B10R0.77 COC(COCC(C)C)OC 34a_100000210257_100000211822 [0,0,0,0,0,2|1,0,1]=4 1724 B10R0.77 COC(COCC(C)C)OC 34a_100011216393_100000210624 [0,0,0,0,0,2|1,0,1]=4 1725 B10R0.77 COC(COCC(C)F)OC 34a_100015925927_100000211822 [0,0,0,0,0,2|1,0,1]=4 1726 B10R0.77 COC(COCC(C)O)OC 34a_100011216393_100011218427 [0,0,0,0,0,2|0,0,2]=4 1727 B10R0.77 COC(COC[C@@H](C)Cl)OC 34a_100016084084_100000211822 [0,0,0,0,0,2|1,0,1]=4 1728 B10R0.77 COC(COC[C@@H](C)N)OC 34a_100000737577_100000211822 [0,0,0,0,0,2|1,0,1]=4 1729 B10R0.77 COC(COC[C@@H](C)O)OC 34a_100011216393_100009817552 [0,0,0,0,0,2|0,0,2]=4 1730 B10R0.77 COC(COC[N+](=O)[O-])OC 34a_100011216393_100000761209 [0,0,0,0,0,2|2,0,0]=4 1731 B10R0.77 COC(CSCC(=O)N)OC 62a_100000747473_100000751394 [0,0,0,0,0,2|1,0,0]=3 1732 B10R0.77 COC(CSCC(=O)N)OC 62a_100000751394_100000747473 [0,0,0,0,0,2|1,0,0]=3 1733 B10R0.77 COC(CSCC(=O)[O-])OC 62a_100000751394_100020667443 [0,0,0,0,0,2|1,0,0]=3 1734 B10R0.77 COC(CSCC(=O)[O-])OC 62a_100020667443_100000751394 [0,0,0,0,0,2|1,0,0]=3 1735 B10R0.77 COC(CSCC(C)C)OC 62a_100000210624_100000751394 [0,0,0,0,0,2|1,0,1]=4 1736 B10R0.77 COC(CSCC(C)C)OC 62a_100000751394_100000210760 [0,0,0,0,0,2|1,0,1]=4 1737 B10R0.77 COC(CSCC(C)O)OC 62a_100000751394_100011218427 [0,0,0,0,0,2|0,0,2]=4 1738 B10R0.77 COC(CSCC(C)O)OC 62a_100011218427_100000751394 [0,0,0,0,0,2|0,0,2]=4 1739 B10R0.77 COC(CSC[C@@H](C)O)OC 62a_100000751394_100009817552 [0,0,0,0,0,2|0,0,2]=4 1740 B10R0.77 COC(CSC[C@@H](C)O)OC 62a_100009817552_100000751394 [0,0,0,0,0,2|0,0,2]=4 1741 B10R0.77 COC(CSC[N+](=O)[O-])OC 62a_100000751394_100000761209 [0,0,0,0,0,2|2,0,0]=4