0 B8R0.2 C#CC(C)C(=O)C(=C)C 1458a_100000185857_200000035995 [0,0,1,0,0,0|1,0,2]=4 1 B8R0.2 C=C(Br)C(=O)N(C)CC 11a_100000225621_100009813364 [0,0,1,0,0,0|2,0,1]=4 2 B8R0.2 C=C(Br)C(=O)N(C)CC 1626a_100000225621_100009813364 [0,0,1,0,0,0|2,0,1]=4 3 B8R0.2 C=C(C)C(=O)C(C)C#N 1458a_100000185857_100000703298 [0,0,1,0,0,0|2,0,1]=4 4 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,0,1,0,0,0|1,0,0]=2 5 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [0,0,1,0,0,0|2,0,0]=3 6 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [0,0,1,0,0,0|2,0,0]=3 7 B8R0.2 C=C(Cl)C(=O)N(C)CC 11a_100000225621_100000039160 [0,0,1,0,0,0|2,0,1]=4 8 B8R0.2 C=C(Cl)C(=O)N(C)CC 1626a_100000225621_100000039160 [0,0,1,0,0,0|2,0,1]=4 9 B8R0.2 C=C(F)C(=O)N(C)CC 11a_100000225621_100000036797 [0,0,1,0,0,0|2,0,1]=4 10 B8R0.2 C=C(F)C(=O)N(C)CC 1626a_100000225621_100000036797 [0,0,1,0,0,0|2,0,1]=4 11 B8R0.2 C=CC(=O)C(C)C(=O)C 1458a_100000185746_100000179758 [0,0,1,0,0,0|2,0,1]=4 12 B8R0.2 C=CC(=O)N(C)C(C)C 1626a_200000211004_100000185746 [0,0,1,0,0,0|2,0,0]=3 13 B8R0.2 C=CC(=O)N(C)C(C)C 240690a_200000211004_200121576911 [0,0,1,0,0,0|2,0,0]=3 14 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,0,1,0,0,0|3,0,0]=4 15 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,0,1,0,0,0|3,0,0]=4 16 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_100009893295_200025704644 [0,0,1,0,0,0|2,0,1]=4 17 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_200025704644_100009893295 [0,0,1,0,0,0|2,0,1]=4 18 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [0,0,1,0,0,0|1,0,1]=3 19 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [0,0,1,0,0,0|1,0,2]=4 20 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [0,0,1,0,0,0|1,0,2]=4 21 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.2 CC(S[13CH3])C(=O)N(C)C 62a_100000209910_200025704644 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.2 CC(S[13CH3])C(=O)N(C)C 62a_200025704644_100000209910 [0,0,1,0,0,0|3,0,0]=4 24 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,0,1,0,0,0|1,0,1]=3 25 B8R0.2 CCC(=O)C(C)N(C)C 2230a_100102631434_100000742827 [0,0,1,0,0,0|2,0,1]=4 26 B8R0.2 CCC(=O)C(C)N(C)C 269982a_100102631434_100000742827 [0,0,1,0,0,0|2,0,1]=4 27 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [0,0,1,0,0,0|2,0,1]=4 28 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [0,0,1,0,0,0|2,0,1]=4 29 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [0,0,1,0,0,0|2,0,1]=4 30 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [0,0,1,0,0,0|2,0,1]=4 31 B8R0.2 CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210202 [0,0,1,0,0,0|2,0,1]=4 32 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [0,0,1,0,0,0|1,0,1]=3 34 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [0,0,1,0,0,0|1,0,1]=3 35 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [0,0,1,0,0,0|1,0,1]=3 36 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [0,0,1,0,0,0|1,0,2]=4 37 B8R0.2 CCC(C)C(=O)N(C)C 11a_100102631434_100011192722 [0,0,1,0,0,0|2,0,0]=3 38 B8R0.2 CCC(C)C(=O)N(C)C 1626a_100102631434_100011192722 [0,0,1,0,0,0|2,0,0]=3 39 B8R0.2 CCC(C)C(=O)N(C)C 240690a_100102631434_100011192722 [0,0,1,0,0,0|2,0,0]=3 40 B8R0.2 CCC(C)C(=O)N(C)C 527a_100102631434_100011192722 [0,0,1,0,0,0|2,0,0]=3 41 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,0,1,0,0,0|0,0,2]=3 42 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,0,1,0,0,0|0,0,2]=3 43 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,0,1,0,0,0|2,0,0]=3 44 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,0,1,0,0,0|2,0,0]=3 45 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,0,1,0,0,0|2,0,0]=3 46 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,0,1,0,0,0|2,0,0]=3 47 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [0,0,1,0,0,0|2,0,1]=4 48 B8R0.2 CCC(O)C(=O)N(C)C 240690a_100102631434_100011196387 [0,0,1,0,0,0|3,0,0]=4 49 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [0,0,1,0,0,0|2,0,0]=3 50 B8R0.2 CCN(C)C(=O)C(C)C 11a_100000225621_100000210198 [0,0,1,0,0,0|2,0,1]=4 51 B8R0.2 CCN(C)C(=O)C(C)C 1626a_100000225621_100000210198 [0,0,1,0,0,0|2,0,1]=4 52 B8R0.2 CCN(C)C(=O)C(C)C 240690a_100000225621_100000210198 [0,0,1,0,0,0|2,0,1]=4 53 B8R0.2 CCN(C)C(=O)C(C)C 527a_100000225621_100000210198 [0,0,1,0,0,0|2,0,1]=4 54 B8R0.2 CCN(C)C(=O)C(C)F 11a_100000225621_100000062450 [0,0,1,0,0,0|2,0,1]=4 55 B8R0.2 CCN(C)C(=O)C(C)F 1626a_100000225621_100000062450 [0,0,1,0,0,0|2,0,1]=4 56 B8R0.2 CCN(C)C(=O)C(C)F 240690a_100000225621_100000062450 [0,0,1,0,0,0|2,0,1]=4 57 B8R0.2 CCN(C)C(=O)C(C)F 527a_100000225621_100000062450 [0,0,1,0,0,0|2,0,1]=4 58 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [0,0,1,0,0,0|1,0,2]=4 59 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [0,0,1,0,0,0|1,0,2]=4 60 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [0,0,1,0,0,0|1,0,2]=4 61 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,0,1,0,0,0|2,0,1]=4 62 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,0,1,0,0,0|2,0,1]=4 63 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,0,1,0,0,0|2,0,1]=4 64 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,0,1,0,0,0|2,0,1]=4 65 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [0,0,1,0,0,0|2,0,0]=3 66 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [0,0,1,0,0,0|2,0,0]=3 67 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [0,0,1,0,0,0|2,0,0]=3 68 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [0,0,1,0,0,0|2,0,0]=3 69 B8R0.2 CNC(=O)C(C)N(C)C 2230a_100102631434_100000731044 [0,0,1,0,0,0|3,0,0]=4 70 B8R0.2 CNC(=O)C(C)N(C)C 269982a_100102631434_100000209862 [0,0,1,0,0,0|3,0,0]=4 71 B8R0.2 CNC(=O)N(C)C(C)C 2708a_100102657272_200000211004 [0,0,1,0,0,0|3,0,0]=4 72 B8R0.2 CNC(=O)N(C)C(C)C 273464a_100102657272_200000211004 [0,0,1,0,0,0|3,0,0]=4 73 B8R0.2 CNC(=O)[C@H](C)N(C)C 240690a_100102657272_100009822176 [0,0,1,0,0,0|3,0,0]=4 74 B8R0.2 CNC(=O)[C@H](C)N(C)C 527a_100102657272_100009822176 [0,0,1,0,0,0|3,0,0]=4 75 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [0,0,1,0,0,0|3,0,0]=4 76 B8R0.2 CNC(C)C(=O)C(C)C 2230a_106832991635_100009893295 [0,0,1,0,0,0|2,0,1]=4 77 B8R0.2 CNC(C)C(=O)C(C)C 7a_106832991635_100009893295 [0,0,1,0,0,0|2,0,1]=4 78 B8R0.2 CNC(C)C(=O)N(C)C 2230a_106832991635_100000209910 [0,0,1,0,0,0|3,0,0]=4 79 B8R0.2 CNC(C)C(=O)N(C)C 7a_106832991635_100000209910 [0,0,1,0,0,0|3,0,0]=4 80 B8R0.2 CN[C@@H](C)C(=O)N(C)C 2230a_100000697320_200000210301 [0,0,1,0,0,0|3,0,0]=4 81 B8R0.2 CN[C@@H](C)C(=O)N(C)C 34a_100000697320_200000210301 [0,0,1,0,0,0|3,0,0]=4 82 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [0,0,1,0,0,0|3,0,0]=4 83 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [0,0,1,0,0,0|3,0,0]=4 84 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [0,0,1,0,0,0|3,0,0]=4 85 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [0,0,1,0,0,0|3,0,0]=4 86 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [0,0,1,0,0,0|3,0,0]=4 87 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [0,0,1,0,0,0|3,0,0]=4 88 B8R0.2 COC(C)C(=O)C(C)C 1458a_100000743197_100000210206 [0,0,1,0,0,0|2,0,1]=4 89 B8R0.2 COC(C)C(=O)N(C)C 11a_100102631434_100000743197 [0,0,1,0,0,0|3,0,0]=4 90 B8R0.2 COC(C)C(=O)N(C)C 1626a_100102631434_100000743197 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.2 COC(C)C(=O)N(C)C 240690a_100102631434_100000743197 [0,0,1,0,0,0|3,0,0]=4 92 B8R0.2 COC(C)C(=O)N(C)C 527a_100102631434_100000743197 [0,0,1,0,0,0|3,0,0]=4 93 B8R0.2 CSC(C)C(=O)C(C)C 1458a_100000149566_100000210206 [0,0,1,0,0,0|2,0,1]=4 94 B8R0.2 CSC(C)C(=O)C(C)C 62a_100009893295_200000210301 [0,0,1,0,0,0|2,0,1]=4 95 B8R0.2 CSC(C)C(=O)C(C)C 62a_200000210301_100009893295 [0,0,1,0,0,0|2,0,1]=4 96 B8R0.2 CSC(C)C(=O)N(C)C 11a_100102631434_100000149566 [0,0,1,0,0,0|3,0,0]=4 97 B8R0.2 CSC(C)C(=O)N(C)C 1626a_100102631434_100000149566 [0,0,1,0,0,0|3,0,0]=4 98 B8R0.2 CSC(C)C(=O)N(C)C 240690a_100102631434_100000149566 [0,0,1,0,0,0|3,0,0]=4 99 B8R0.2 CSC(C)C(=O)N(C)C 527a_100102631434_100000149566 [0,0,1,0,0,0|3,0,0]=4 100 B8R0.2 CSC(C)C(=O)N(C)C 62a_100000209910_200000210301 [0,0,1,0,0,0|3,0,0]=4 101 B8R0.2 CSC(C)C(=O)N(C)C 62a_200000210301_100000209910 [0,0,1,0,0,0|3,0,0]=4 102 B8R0.2 C[C@@H](C(=O)CF)N(C)C 1458a_100009822176_100015361967 [0,0,1,0,0,0|2,0,1]=4 103 B8R0.2 C[C@H](N[13CH3])C(=O)N(C)C 2230a_100000697320_200025704644 [0,0,1,0,0,0|3,0,0]=4 104 B8R0.2 C[C@H](N[13CH3])C(=O)N(C)C 34a_100000697320_200025704644 [0,0,1,0,0,0|3,0,0]=4 105 B8R0.3 C#CCC(=O)C(=O)NC 1458a_100011218921_100000184674 [0,0,1,0,0,0|1,0,2]=4 106 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,0,1,0,0,0|1,0,1]=3 107 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,0,1,0,0,0|2,0,1]=4 108 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,0,1,0,0,0|2,0,1]=4 109 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,0,1,0,0,0|2,0,1]=4 110 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,0,1,0,0,0|3,0,0]=4 111 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,0,1,0,0,0|3,0,0]=4 112 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,0,1,0,0,0|3,0,0]=4 113 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,0,1,0,0,0|3,0,0]=4 114 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,0,1,0,0,0|3,0,0]=4 115 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,0,1,0,0,0|3,0,0]=4 116 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,0,1,0,0,0|1,0,2]=4 117 B8R0.3 C=CCN(C)C(C)C=C 269982a_100000225617_100011215867 [0,0,1,0,0,0|3,0,0]=4 118 B8R0.3 CC(CO)N(C)CC=O 2230a_100000693034_200015260668 [0,0,1,0,0,0|1,0,2]=4 119 B8R0.3 CC(CO)N(C)CC=O 269982a_100000693034_200015260668 [0,0,1,0,0,0|1,0,2]=4 120 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,0,1,0,0,0|1,0,1]=3 121 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,0,1,0,0,0|2,0,1]=4 122 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,0,1,0,0,0|2,0,1]=4 123 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,0,1,0,0,0|2,0,1]=4 124 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,0,1,0,0,0|2,0,1]=4 125 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,0,1,0,0,0|2,0,1]=4 126 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,0,1,0,0,0|3,0,0]=4 127 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,0,1,0,0,0|2,0,1]=4 128 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,0,1,0,0,0|2,0,1]=4 129 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,0,1,0,0,0|2,0,1]=4 130 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,0,1,0,0,0|2,0,1]=4 131 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,0,1,0,0,0|3,0,0]=4 132 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,0,1,0,0,0|3,0,0]=4 133 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,0,1,0,0,0|2,0,1]=4 134 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,0,1,0,0,0|2,0,1]=4 135 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,0,1,0,0,0|2,0,1]=4 136 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,0,1,0,0,0|2,0,1]=4 137 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,0,1,0,0,0|2,0,1]=4 138 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [0,0,1,0,0,0|2,0,1]=4 139 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [0,0,1,0,0,0|2,0,1]=4 140 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,0,1,0,0,0|1,0,2]=4 141 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,0,1,0,0,0|1,0,2]=4 142 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,0,1,0,0,0|1,0,0]=2 143 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,0,1,0,0,0|1,0,1]=3 144 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,0,1,0,0,0|1,0,1]=3 145 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,0,1,0,0,0|2,0,1]=4 146 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,0,1,0,0,0|2,0,1]=4 147 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,0,1,0,0,0|0,0,2]=3 148 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,0,1,0,0,0|1,0,2]=4 149 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,0,1,0,0,0|2,0,0]=3 150 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,0,1,0,0,0|2,0,0]=3 151 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,0,1,0,0,0|2,0,0]=3 152 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,0,1,0,0,0|2,0,0]=3 153 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,0,1,0,0,0|1,0,1]=3 154 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,0,1,0,0,0|1,0,1]=3 155 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,0,1,0,0,0|2,0,1]=4 156 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,0,1,0,0,0|2,0,1]=4 157 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,0,1,0,0,0|2,0,1]=4 158 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,0,1,0,0,0|2,0,1]=4 159 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,0,1,0,0,0|2,0,1]=4 160 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,0,1,0,0,0|2,0,1]=4 161 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,0,1,0,0,0|2,0,0]=3 162 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,0,1,0,0,0|2,0,0]=3 163 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,0,1,0,0,0|2,0,0]=3 164 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,0,1,0,0,0|2,0,0]=3 165 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,0,1,0,0,0|3,0,0]=4 166 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,0,1,0,0,0|3,0,0]=4 167 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,0,1,0,0,0|3,0,0]=4 168 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,0,1,0,0,0|3,0,0]=4 169 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,0,1,0,0,0|0,0,2]=3 170 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,0,1,0,0,0|1,0,2]=4 171 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,0,1,0,0,0|1,0,2]=4 172 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,0,1,0,0,0|3,0,0]=4 173 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,0,1,0,0,0|3,0,0]=4 174 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,0,1,0,0,0|3,0,0]=4 175 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,0,1,0,0,0|3,0,0]=4 176 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,0,1,0,0,0|3,0,0]=4 177 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,0,1,0,0,0|3,0,0]=4 178 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,0,1,0,0,0|3,0,0]=4 179 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,0,1,0,0,0|3,0,0]=4 180 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,0,1,0,0,0|3,0,0]=4 181 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,0,1,0,0,0|3,0,0]=4 182 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,0,1,0,0,0|3,0,0]=4 183 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,0,1,0,0,0|3,0,0]=4 184 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,0,1,0,0,0|3,0,0]=4 185 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,0,1,0,0,0|3,0,0]=4 186 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,0,1,0,0,0|3,0,0]=4 187 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,0,1,0,0,0|3,0,0]=4 188 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,0,1,0,0,0|3,0,0]=4 189 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,0,1,0,0,0|1,0,0]=2 190 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,0,1,0,0,0|2,0,0]=3 191 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,0,1,0,0,0|2,0,0]=3 192 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,0,1,0,0,0|2,0,0]=3 193 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,0,1,0,0,0|2,0,0]=3 194 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,0,1,0,0,0|2,0,0]=3 195 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,0,1,0,0,0|2,0,0]=3 196 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,0,1,0,0,0|2,0,0]=3 197 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,0,1,0,0,0|2,0,0]=3 198 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,0,1,0,0,0|2,0,0]=3 199 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,0,1,0,0,0|2,0,1]=4 200 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,0,1,0,0,0|2,0,1]=4 201 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,0,1,0,0,0|2,0,1]=4 202 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,0,1,0,0,0|1,0,2]=4 203 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,0,1,0,0,0|3,0,0]=4 204 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,0,1,0,0,0|3,0,0]=4 205 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,0,1,0,0,0|2,0,1]=4 206 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,0,1,0,0,0|2,0,0]=3 207 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,0,1,0,0,0|2,0,0]=3 208 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,0,1,0,0,0|2,0,0]=3 209 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,0,1,0,0,0|2,0,1]=4 210 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,0,1,0,0,0|2,0,1]=4 211 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,0,1,0,0,0|2,0,1]=4 212 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,0,1,0,0,0|2,0,1]=4 213 B8R0.3 CNC(=O)C(=O)CC#N 1458a_100011218921_100011214920 [0,0,1,0,0,0|2,0,1]=4 214 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,0,1,0,0,0|2,0,0]=3 215 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,0,1,0,0,0|2,0,0]=3 216 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,0,1,0,0,0|2,0,0]=3 217 B8R0.3 CNNC(=O)C(=O)NC 22a_100016993582_100011218921 [0,0,1,0,0,0|3,0,0]=4 218 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,0,1,0,0,0|2,0,0]=3 219 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,0,1,0,0,0|2,0,0]=3 220 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,0,1,0,0,0|2,0,0]=3 221 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,0,1,0,0,0|2,0,0]=3 222 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,0,1,0,0,0|2,0,0]=3 223 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,0,1,0,0,0|1,0,1]=3 224 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,0,1,0,0,0|2,0,1]=4 225 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,0,1,0,0,0|1,0,1]=3 226 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [0,0,1,0,0,0|2,0,1]=4 227 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,0,1,0,0,0|2,0,1]=4 228 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,0,1,0,0,0|1,0,0]=2 229 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,0,1,0,0,0|2,0,0]=3 230 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,0,1,0,0,0|1,0,0]=2 231 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,0,1,0,0,0|2,0,0]=3 232 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,0,1,0,0,0|2,0,0]=3 233 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,0,1,0,0,0|2,0,0]=3 234 B8R0.19 C=CC(=O)N[C@H](C)CF 1626a_100102880703_100000185746 [0,0,1,0,0,0|3,0,0]=4 235 B8R0.19 C=CC(=O)N[C@H](C)CF 240690a_100102880703_200121576911 [0,0,1,0,0,0|3,0,0]=4 236 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [0,0,1,0,0,0|3,0,0]=4 237 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,0,1,0,0,0|1,0,1]=3 238 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,0,1,0,0,0|1,0,1]=3 239 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,0,1,0,0,0|2,0,1]=4 240 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,0,1,0,0,0|2,0,1]=4 241 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,0,1,0,0,0|2,0,1]=4 242 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,0,1,0,0,0|2,0,1]=4 243 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,0,1,0,0,0|1,0,1]=3 244 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,0,1,0,0,0|2,0,1]=4 245 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,0,1,0,0,0|2,0,1]=4 246 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,0,1,0,0,0|2,0,1]=4 247 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,0,1,0,0,0|2,0,1]=4 248 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,0,1,0,0,0|2,0,1]=4 249 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,0,1,0,0,0|1,0,1]=3 250 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,0,1,0,0,0|0,0,2]=3 251 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,0,1,0,0,0|2,0,0]=3 252 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,0,1,0,0,0|2,0,0]=3 253 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,0,1,0,0,0|2,0,0]=3 254 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,0,1,0,0,0|2,0,0]=3 255 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,0,1,0,0,0|1,0,2]=4 256 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,0,1,0,0,0|1,0,2]=4 257 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,0,1,0,0,0|3,0,0]=4 258 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,0,1,0,0,0|3,0,0]=4 259 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,0,1,0,0,0|3,0,0]=4 260 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,0,1,0,0,0|3,0,0]=4 261 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,0,1,0,0,0|3,0,0]=4 262 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,0,1,0,0,0|3,0,0]=4 263 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,0,1,0,0,0|2,0,1]=4 264 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,0,1,0,0,0|1,0,2]=4 265 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,0,1,0,0,0|3,0,0]=4 266 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,0,1,0,0,0|3,0,0]=4 267 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,0,1,0,0,0|2,0,1]=4 268 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,0,1,0,0,0|3,0,0]=4 269 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,0,1,0,0,0|3,0,0]=4 270 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,0,1,0,0,0|3,0,0]=4 271 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,0,1,0,0,0|3,0,0]=4 272 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,0,1,0,0,0|3,0,0]=4 273 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,0,1,0,0,0|3,0,0]=4 274 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,0,1,0,0,0|3,0,0]=4 275 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,0,1,0,0,0|3,0,0]=4 276 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,0,1,0,0,0|0,0,2]=3 277 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,0,1,0,0,0|3,0,0]=4 278 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,0,1,0,0,0|3,0,0]=4 279 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,0,1,0,0,0|3,0,0]=4 280 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,0,1,0,0,0|3,0,0]=4 281 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,0,1,0,0,0|3,0,0]=4 282 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,0,1,0,0,0|3,0,0]=4 283 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,0,1,0,0,0|3,0,0]=4 284 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,0,1,0,0,0|3,0,0]=4 285 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,0,1,0,0,0|1,0,2]=4 286 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 2230a_100016994881_200000210301 [0,0,0,0,0,1|3,0,0]=4 287 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 269982a_100016994881_200000210301 [0,0,0,0,0,1|3,0,0]=4 288 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 34a_100016994881_200000210301 [0,0,0,0,0,1|3,0,0]=4 289 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 2230a_100016994881_200025704644 [0,0,0,0,0,1|3,0,0]=4 290 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 269982a_100016994881_200025704644 [0,0,0,0,0,1|3,0,0]=4 291 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 34a_100016994881_200025704644 [0,0,0,0,0,1|3,0,0]=4 292 B10R1.119 CC1C(=O)N(CCN1C)C 2230a_100000708691_200000210301 [0,0,0,0,0,1|3,0,0]=4 293 B10R1.119 CC1C(=O)N(CCN1C)C 269982a_100000708691_200000210301 [0,0,0,0,0,1|3,0,0]=4 294 B10R1.119 CC1C(=O)N(CCN1C)C 34a_100000708691_200000210301 [0,0,0,0,0,1|3,0,0]=4 295 B10R1.119 CC1C(=O)N(CCN1[13CH3])C 2230a_100000708691_200025704644 [0,0,0,0,0,1|3,0,0]=4 296 B10R1.119 CC1C(=O)N(CCN1[13CH3])C 269982a_100000708691_200025704644 [0,0,0,0,0,1|3,0,0]=4 297 B10R1.119 CC1C(=O)N(CCN1[13CH3])C 34a_100000708691_200025704644 [0,0,0,0,0,1|3,0,0]=4 298 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [1,0,1,0,0,0|1,0,1]=4 299 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [1,0,1,0,0,0|2,0,0]=4 300 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [1,0,1,0,0,0|2,0,0]=4 301 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [1,0,1,0,0,0|2,0,0]=4 302 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [1,0,1,0,0,0|2,0,0]=4 303 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [1,0,1,0,0,0|2,0,0]=4 304 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [1,0,1,0,0,0|2,0,0]=4 305 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [1,0,1,0,0,0|2,0,0]=4 306 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [1,0,1,0,0,0|2,0,0]=4 307 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [1,0,1,0,0,0|2,0,0]=4 308 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [1,0,1,0,0,0|2,0,0]=4 309 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,0,1,0,0,0|1,0,0]=3 310 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [1,0,1,0,0,0|2,0,0]=4 311 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [1,0,1,0,0,0|2,0,0]=4 312 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [1,0,1,0,0,0|2,0,0]=4 313 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [1,0,1,0,0,0|2,0,0]=4 314 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,0,1,0,0,0|1,0,1]=4 315 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [1,0,1,0,0,0|2,0,0]=4 316 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [1,0,1,0,0,0|2,0,0]=4 317 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [1,0,1,0,0,0|2,0,0]=4 318 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [1,0,1,0,0,0|2,0,0]=4 319 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,0,1,0,0,0|2,0,0]=4 320 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,0,1,0,0,0|2,0,0]=4 321 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [1,0,1,0,0,0|2,0,0]=4 322 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [1,0,1,0,0,0|2,0,0]=4 323 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,0,1,0,0,0|1,0,1]=4 324 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,0,1,0,0,0|0,0,2]=4 325 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,0,1,0,0,0|0,0,1]=3 326 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,0,1,0,0,0|0,0,1]=3 327 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,0,1,0,0,0|1,0,1]=4 328 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,0,1,0,0,0|1,0,1]=4 329 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,0,1,0,0,0|0,0,1]=3 330 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,0,1,0,0,0|0,0,1]=3 331 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,0,1,0,0,0|0,0,1]=3 332 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,0,1,0,0,0|1,0,0]=3 333 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,0,1,0,0,0|1,0,0]=3 334 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,0,1,0,0,0|1,0,0]=3 335 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,0,1,0,0,0|1,0,0]=3 336 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,0,1,0,0,0|1,0,1]=4 337 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,0,1,0,0,0|1,0,1]=4 338 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,0,1,0,0,0|1,0,1]=4 339 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,0,1,0,0,0|1,0,1]=4 340 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [1,0,1,0,0,0|2,0,0]=4 341 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [1,0,1,0,0,0|2,0,0]=4 342 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [1,0,1,0,0,0|2,0,0]=4 343 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,0,1,0,0,0|1,0,1]=4 344 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,0,1,0,0,0|1,0,1]=4 345 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,0,1,0,0,0|1,0,1]=4 346 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [1,0,1,0,0,0|1,0,1]=4 347 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,0,1,0,0,0|1,0,1]=4 348 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,0,1,0,0,0|0,0,1]=3 349 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,0,1,0,0,0|2,0,0]=4 350 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,0,1,0,0,0|2,0,0]=4 351 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,0,1,0,0,0|2,0,0]=4 352 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,0,1,0,0,0|2,0,0]=4 353 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [1,0,1,0,0,0|2,0,0]=4 354 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [1,0,1,0,0,0|2,0,0]=4 355 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [1,0,1,0,0,0|2,0,0]=4 356 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,0,1,0,0,0|1,0,0]=3 357 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,0,1,0,0,0|2,0,0]=4 358 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,0,1,0,0,0|2,0,0]=4 359 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,0,1,0,0,0|2,0,0]=4 360 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [1,0,1,0,0,0|1,0,1]=4 361 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [1,0,1,0,0,0|1,0,1]=4 362 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,0,1,0,0,0|1,0,0]=3 363 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,0,1,0,0,0|1,0,0]=3 364 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [1,0,1,0,0,0|1,0,1]=4 365 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,1,0,0,0|1,0,1]=4 366 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,1,0,0,0|1,0,1]=4 367 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,0,1,0,0,0|1,0,1]=4 368 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,0,1,0,0,0|1,0,1]=4 369 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,0,1,0,0,0|1,0,1]=4 370 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,0,1,0,0,0|2,0,0]=4 371 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,0,1,0,0,0|2,0,0]=4 372 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,0,1,0,0,0|2,0,0]=4 373 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,0,1,0,0,0|2,0,0]=4 374 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,0,1,0,0,0|0,0,2]=4 375 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,0,1,0,0,0|0,0,2]=4 376 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,1,0,0,0|1,0,1]=4 377 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,1,0,0,0|1,0,1]=4 378 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,1,0,0,0|1,0,1]=4 379 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 380 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 381 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 382 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,1,0,0,0|2,0,0]=4 383 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,1,0,0,0|0,0,2]=4 384 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,1,0,0,0|0,0,2]=4 385 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,0,1,0,0,0|1,0,0]=3 386 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [1,0,1,0,0,0|2,0,0]=4 387 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,0,1,0,0,0|1,0,0]=3 388 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,0,1,0,0,0|1,0,0]=3 389 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,0,1,0,0,0|1,0,0]=3 390 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,0,1,0,0,0|1,0,0]=3 391 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,0,1,0,0,0|1,0,0]=3 392 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [1,0,1,0,0,0|0,0,2]=4 393 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,0,1,0,0,0|1,0,1]=4 394 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [1,0,1,0,0,0|2,0,0]=4 395 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,0,1,0,0,0|0,0,1]=3 396 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [1,0,1,0,0,0|1,0,1]=4 397 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [1,0,1,0,0,0|1,0,1]=4 398 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,0,1,0,0,0|1,0,0]=3 399 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,0,1,0,0,0|0,0,1]=3 400 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,0,1,0,0,0|0,0,1]=3 401 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,0,1,0,0,0|1,0,1]=4 402 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,0,1,0,0,0|1,0,1]=4 403 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,0,1,0,0,0|1,0,1]=4 404 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,0,1,0,0,0|1,0,1]=4 405 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,0,1,0,0,0|1,0,1]=4 406 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,0,1,0,0,0|1,0,1]=4 407 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,0,1,0,0,0|1,0,1]=4 408 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,0,1,0,0,0|1,0,1]=4 409 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,0,1,0,0,0|0,0,2]=4 410 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,0,1,0,0,0|1,0,1]=4 411 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,0,1,0,0,0|1,0,1]=4 412 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,0,1,0,0,0|1,0,1]=4 413 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,0,1,0,0,0|1,0,1]=4 414 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,0,1,0,0,0|1,0,1]=4 415 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,0,1,0,0,0|0,0,2]=4 416 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,0,1,0,0,0|1,0,0]=3 417 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,0,1,0,0,0|1,0,0]=3 418 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,0,1,0,0,0|1,0,0]=3 419 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,0,1,0,0,0|1,0,0]=3 420 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,0,1,0,0,0|2,0,0]=4 421 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,0,1,0,0,0|2,0,0]=4 422 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,0,1,0,0,0|2,0,0]=4 423 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [1,0,1,0,0,0|2,0,0]=4 424 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [1,0,1,0,0,0|2,0,0]=4 425 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [1,0,1,0,0,0|2,0,0]=4 426 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [1,0,1,0,0,0|2,0,0]=4 427 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [1,0,1,0,0,0|2,0,0]=4 428 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [1,0,1,0,0,0|2,0,0]=4 429 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [1,0,1,0,0,0|2,0,0]=4 430 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [1,0,1,0,0,0|2,0,0]=4 431 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [1,0,1,0,0,0|2,0,0]=4 432 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [1,0,1,0,0,0|2,0,0]=4 433 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [1,0,1,0,0,0|2,0,0]=4 434 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,0,1,0,0,0|2,0,0]=4 435 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,0,1,0,0,0|2,0,0]=4 436 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,0,1,0,0,0|2,0,0]=4 437 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,0,1,0,0,0|2,0,0]=4 438 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,0,1,0,0,0|2,0,0]=4 439 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,0,1,0,0,0|2,0,0]=4 440 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,0,1,0,0,0|2,0,0]=4 441 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,0,1,0,0,0|2,0,0]=4 442 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,0,1,0,0,0|2,0,0]=4 443 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,0,1,0,0,0|2,0,0]=4 444 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,0,1,0,0,0|2,0,0]=4 445 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,0,1,0,0,0|2,0,0]=4 446 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,0,1,0,0,0|2,0,0]=4 447 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [1,0,1,0,0,0|2,0,0]=4 448 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [1,0,1,0,0,0|2,0,0]=4 449 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [1,0,1,0,0,0|2,0,0]=4 450 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [1,0,1,0,0,0|2,0,0]=4 451 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,0,1,0,0,0|2,0,0]=4 452 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,0,1,0,0,0|2,0,0]=4 453 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,0,1,0,0,0|2,0,0]=4 454 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,0,1,0,0,0|2,0,0]=4 455 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,0,1,0,0,0|2,0,0]=4 456 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,0,1,0,0,0|2,0,0]=4 457 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,0,1,0,0,0|2,0,0]=4 458 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,0,1,0,0,0|2,0,0]=4 459 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,0,1,0,0,0|2,0,0]=4 460 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,0,1,0,0,0|2,0,0]=4 461 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [1,0,1,0,0,0|1,0,0]=3 462 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [1,0,1,0,0,0|2,0,0]=4 463 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [1,0,1,0,0,0|2,0,0]=4 464 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [1,0,1,0,0,0|1,0,0]=3 465 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,0,1,0,0,0|0,0,1]=3 466 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [1,0,1,0,0,0|1,0,1]=4 467 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [1,0,1,0,0,0|1,0,1]=4 468 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [1,0,1,0,0,0|1,0,1]=4 469 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [1,0,1,0,0,0|1,0,1]=4 470 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [1,0,1,0,0,0|1,0,1]=4 471 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [1,0,1,0,0,0|1,0,1]=4 472 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [1,0,1,0,0,0|1,0,1]=4 473 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,0,1,0,0,0|0,0,2]=4 474 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [1,0,1,0,0,0|2,0,0]=4 475 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [1,0,1,0,0,0|2,0,0]=4 476 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,0,1,0,0,0|1,0,1]=4 477 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,0,1,0,0,0|1,0,1]=4 478 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [1,0,1,0,0,0|1,0,1]=4 479 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [1,0,1,0,0,0|1,0,1]=4 480 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [1,0,1,0,0,0|2,0,0]=4 481 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [1,0,1,0,0,0|2,0,0]=4 482 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [1,0,1,0,0,0|2,0,0]=4 483 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [1,0,1,0,0,0|2,0,0]=4 484 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [1,0,1,0,0,0|0,0,2]=4 485 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [1,0,1,0,0,0|0,0,2]=4 486 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,0,1,0,0,0|0,0,1]=3 487 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,0,1,0,0,0|0,0,2]=4 488 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [1,0,1,0,0,0|2,0,0]=4 489 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [1,0,1,0,0,0|1,0,0]=3 490 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [1,0,1,0,0,0|1,0,1]=4 491 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,1,0,0,0|1,0,1]=4 492 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [1,0,1,0,0,0|2,0,0]=4 493 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,1,0,0,0|1,0,0]=3 494 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,0,1,0,0,0|2,0,0]=4 495 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,1,0,0,0|2,0,0]=4 496 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,1,0,0,0|2,0,0]=4 497 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,1,0,0,0|2,0,0]=4 498 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,1,0,0,0|2,0,0]=4 499 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,1,0,0,0|2,0,0]=4 500 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [1,0,1,0,0,0|2,0,0]=4 501 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [1,0,1,0,0,0|2,0,0]=4 502 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [1,0,1,0,0,0|2,0,0]=4 503 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,1,0,0,0|0,0,2]=4 504 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,1,0,0,0|1,0,1]=4 505 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,1,0,0,0|1,0,1]=4 506 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,1,0,0,0|1,0,1]=4 507 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,1,0,0,0|1,0,1]=4 508 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,1,0,0,0|1,0,1]=4 509 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,1,0,0,0|1,0,1]=4 510 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,1,0,0,0|1,0,1]=4 511 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,1,0,0,0|2,0,0]=4 512 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,1,0,0,0|2,0,0]=4 513 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,1,0,0,0|2,0,0]=4 514 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,1,0,0,0|2,0,0]=4 515 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,1,0,0,0|2,0,0]=4 516 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,1,0,0,0|2,0,0]=4 517 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [1,0,1,0,0,0|1,0,1]=4 518 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [1,0,1,0,0,0|1,0,1]=4 519 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,0,1,0,0,0|1,0,1]=4 520 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,0,1,0,0,0|1,0,1]=4 521 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,1,0,0,0|0,0,1]=3 522 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,0,1,0,0,0|1,0,1]=4 523 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,1,0,0,0|1,0,1]=4 524 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,1,0,0,0|1,0,1]=4 525 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,1,0,0,0|1,0,1]=4 526 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,1,0,0,0|0,0,1]=3 527 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,1,0,0,0|0,0,1]=3 528 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,1,0,0,0|1,0,1]=4 529 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,1,0,0,0|0,0,2]=4 530 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,1,0,0,0|1,0,1]=4 531 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,1,0,0,0|1,0,1]=4 532 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,1,0,0,0|1,0,1]=4 533 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,1,0,0,0|1,0,1]=4 534 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,1,0,0,0|1,0,0]=3 535 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,1,0,0,0|1,0,0]=3 536 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,1,0,0,0|1,0,0]=3 537 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,1,0,0,0|1,0,0]=3 538 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,1,0,0,0|2,0,0]=4 539 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,1,0,0,0|2,0,0]=4 540 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,1,0,0,0|2,0,0]=4 541 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,1,0,0,0|2,0,0]=4 542 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,1,0,0,0|2,0,0]=4 543 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,1,0,0,0|2,0,0]=4 544 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,1,0,0,0|2,0,0]=4 545 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,1,0,0,0|2,0,0]=4 546 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,1,0,0,0|2,0,0]=4 547 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,1,0,0,0|1,0,1]=4 548 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,1,0,0,0|1,0,1]=4 549 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,1,0,0,0|1,0,1]=4 550 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,1,0,0,0|1,0,1]=4 551 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,1,0,0,0|1,0,1]=4 552 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [1,0,1,0,0,0|2,0,0]=4 553 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [1,0,1,0,0,0|2,0,0]=4 554 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,0,1,0,0,0|0,0,2]=4 555 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,1,0,0,0|0,0,1]=3 556 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,0,1,0,0,0|1,0,1]=4 557 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,0,1,0,0,0|1,0,1]=4 558 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,0,1,0,0,0|1,0,1]=4 559 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,0,1,0,0,0|1,0,1]=4 560 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,0,1,0,0,0|1,0,1]=4 561 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,0,1,0,0,0|1,0,1]=4 562 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,0,1,0,0,0|1,0,1]=4 563 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,0,1,0,0,0|0,0,1]=3 564 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,0,1,0,0,0|1,0,1]=4 565 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,0,1,0,0,0|1,0,1]=4 566 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,0,1,0,0,0|1,0,1]=4 567 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,0,1,0,0,0|1,0,1]=4 568 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,0,1,0,0,0|1,0,1]=4 569 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,0,1,0,0,0|1,0,1]=4 570 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,0,1,0,0,0|1,0,1]=4 571 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,0,1,0,0,0|1,0,1]=4 572 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,0,1,0,0,0|1,0,1]=4 573 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,0,1,0,0,0|1,0,1]=4 574 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,0,1,0,0,0|1,0,1]=4 575 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,0,1,0,0,0|1,0,0]=3 576 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,0,1,0,0,0|1,0,0]=3 577 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,0,1,0,0,0|1,0,0]=3 578 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,0,1,0,0,0|2,0,0]=4 579 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,0,1,0,0,0|2,0,0]=4 580 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,0,1,0,0,0|2,0,0]=4 581 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,0,1,0,0,0|2,0,0]=4 582 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,0,1,0,0,0|2,0,0]=4 583 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,0,1,0,0,0|2,0,0]=4 584 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,0,1,0,0,0|2,0,0]=4 585 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,0,1,0,0,0|2,0,0]=4 586 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,0,1,0,0,0|2,0,0]=4 587 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,0,1,0,0,0|2,0,0]=4 588 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,0,1,0,0,0|2,0,0]=4 589 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,0,1,0,0,0|2,0,0]=4 590 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,0,1,0,0,0|2,0,0]=4 591 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,0,1,0,0,0|2,0,0]=4 592 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,0,1,0,0,0|2,0,0]=4 593 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,0,1,0,0,0|2,0,0]=4 594 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,0,1,0,0,0|2,0,0]=4 595 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,0,1,0,0,0|2,0,0]=4 596 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,0,1,0,0,0|2,0,0]=4 597 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,0,1,0,0,0|2,0,0]=4 598 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,0,1,0,0,0|2,0,0]=4 599 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,0,1,0,0,0|2,0,0]=4 600 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,0,1,0,0,0|2,0,0]=4 601 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,0,1,0,0,0|2,0,0]=4 602 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,0,1,0,0,0|2,0,0]=4 603 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,0,1,0,0,0|2,0,0]=4 604 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,0,1,0,0,0|2,0,0]=4 605 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,0,1,0,0,0|2,0,0]=4 606 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,0,1,0,0,0|2,0,0]=4 607 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [2,0,0,0,0,0|2,0,0]=4 608 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [2,0,0,0,0,0|2,0,0]=4 609 B9R0.6 C#CCC(=O)C(C)C(C)C 1458a_100000755409_100000184674 [0,1,1,0,0,0|1,0,1]=4 610 B9R0.6 C=C(C)C(=O)C(C)CC#N 1458a_100000185857_100009813641 [0,1,1,0,0,0|1,0,1]=4 611 B9R0.6 C=C(C)C(=O)C(C)CCC 1458a_100000185857_100000766640 [0,1,1,0,0,0|1,0,0]=3 612 B9R0.6 C=C(C)C(=O)C(C)CCO 1458a_100000185857_100009893172 [0,1,1,0,0,0|1,0,0]=3 613 B9R0.6 C=C(C)C(=O)C(C)COC 1458a_100000185857_100000765312 [0,1,1,0,0,0|1,0,0]=3 614 B9R0.6 C=C(C)C(=O)N(C)CCC 11a_100000747261_100000185857 [0,1,1,0,0,0|2,0,0]=4 615 B9R0.6 C=C(C)C(=O)N(C)CCC 1626a_100000747261_100000185857 [0,1,1,0,0,0|2,0,0]=4 616 B9R0.6 C=CCC(=O)C(C)C(C)C 1458a_100000755409_100000210623 [0,1,1,0,0,0|1,0,0]=3 617 B9R0.6 C=CCC(=O)N(C)C(C)C 11a_200000211004_100000210193 [0,1,1,0,0,0|2,0,0]=4 618 B9R0.6 C=CCC(=O)N(C)C(C)C 1626a_200000211004_100000210193 [0,1,1,0,0,0|2,0,0]=4 619 B9R0.6 C=CCC(=O)N(C)C(C)C 240690a_200000211004_100000210193 [0,1,1,0,0,0|2,0,0]=4 620 B9R0.6 C=CCC(=O)N(C)C(C)C 527a_200000211004_100000210193 [0,1,1,0,0,0|2,0,0]=4 621 B9R0.6 C=CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210623 [0,1,1,0,0,0|2,0,0]=4 622 B9R0.6 C=CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210623 [0,1,1,0,0,0|2,0,0]=4 623 B9R0.6 CC(=O)N(C)C(C)CCO 240690a_100000731037_100015343762 [0,1,1,0,0,0|2,0,0]=4 624 B9R0.6 CC(=O)N(C)C(C)CCO 527a_100000731037_100103153847 [0,1,1,0,0,0|2,0,0]=4 625 B9R0.6 CC(C)C(=O)C(C)CCO 1458a_100000210198_100009893172 [0,1,1,0,0,0|1,0,1]=4 626 B9R0.6 CC(C)C(C)C(=O)CC#N 1458a_100000755409_100011214920 [0,1,1,0,0,0|1,0,1]=4 627 B9R0.6 CC(C)C(C)C(=O)CCF 1458a_100000755409_100011217306 [0,1,1,0,0,0|1,0,1]=4 628 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [0,1,1,0,0,0|0,0,2]=4 629 B9R0.6 CC(C)C(C)N(C)CC=O 2230a_100000228512_200015260668 [0,1,1,0,0,0|2,0,0]=4 630 B9R0.6 CC(C)C(C)N(C)CC=O 269982a_100000228512_200015260668 [0,1,1,0,0,0|2,0,0]=4 631 B9R0.6 CC(C)N(C)C(=O)C=CBr 1626a_200000211004_100016273825 [0,1,1,0,0,0|2,0,0]=4 632 B9R0.6 CC(C)N(C)C(=O)C=CBr 240690a_200000211004_100016273825 [0,1,1,0,0,0|2,0,0]=4 633 B9R0.6 CC(C)N(C)C(=O)C=CCl 11a_200000211004_200016279998 [0,1,1,0,0,0|2,0,0]=4 634 B9R0.6 CC(C)N(C)C(=O)C=CCl 1626a_200000211004_200016279998 [0,1,1,0,0,0|2,0,0]=4 635 B9R0.6 CC(C)N(C)C(=O)C=CCl 240690a_200000211004_200016279998 [0,1,1,0,0,0|2,0,0]=4 636 B9R0.6 CC(C)N(C)C(=O)C=CI 1626a_200000211004_100016256311 [0,1,1,0,0,0|2,0,0]=4 637 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [0,1,1,0,0,0|0,0,2]=4 638 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [0,1,1,0,0,0|0,0,2]=4 639 B9R0.6 CC(F)C(=O)C(C)CCO 1458a_100000062450_100009893172 [0,1,1,0,0,0|1,0,1]=4 640 B9R0.6 CC=CC(=O)N(C)C(C)C 11a_200000211004_100000210699 [0,1,1,0,0,0|2,0,0]=4 641 B9R0.6 CC=CC(=O)N(C)C(C)C 1626a_200000211004_100000210699 [0,1,1,0,0,0|2,0,0]=4 642 B9R0.6 CC=CC(=O)N(C)C(C)C 240690a_200000211004_100000210699 [0,1,1,0,0,0|2,0,0]=4 643 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [0,1,1,0,0,0|1,0,1]=4 644 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210198_100000766640 [0,1,1,0,0,0|1,0,1]=4 645 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210906_100000210206 [0,1,1,0,0,0|1,0,1]=4 646 B9R0.6 CCCC(C)C(=O)C(C)F 1458a_100000062450_100000766640 [0,1,1,0,0,0|1,0,1]=4 647 B9R0.6 CCCC(C)C(=O)N(C)C 11a_100102631434_100000210906 [0,1,1,0,0,0|2,0,0]=4 648 B9R0.6 CCCC(C)C(=O)N(C)C 1626a_100102631434_100000210906 [0,1,1,0,0,0|2,0,0]=4 649 B9R0.6 CCCC(C)C(=O)N(C)C 240690a_100102631434_100000210906 [0,1,1,0,0,0|2,0,0]=4 650 B9R0.6 CCCC(C)C(=O)N(C)C 527a_100102631434_100000210906 [0,1,1,0,0,0|2,0,0]=4 651 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [0,1,1,0,0,0|0,0,2]=4 652 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [0,1,1,0,0,0|0,0,2]=4 653 B9R0.6 CCCN(C)C(=O)C(=O)N 240690a_100000747261_100011215815 [0,1,1,0,0,0|2,0,0]=4 654 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [0,1,1,0,0,0|1,0,1]=4 655 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [0,1,1,0,0,0|1,0,1]=4 656 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [0,1,1,0,0,0|1,0,1]=4 657 B9R0.6 CCNC(C)C(=O)C(C)C 2230a_100015525214_100009893295 [0,1,1,0,0,0|1,0,1]=4 658 B9R0.6 CCNC(C)C(=O)N(C)C 2230a_100015525214_100000209910 [0,1,1,0,0,0|2,0,0]=4 659 B9R0.6 CCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100000210202 [0,1,1,0,0,0|2,0,0]=4 660 B9R0.6 CCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100000210202 [0,1,1,0,0,0|2,0,0]=4 661 B9R0.6 CCOC(C)C(=O)C(C)C 1458a_100000739345_100000210206 [0,1,1,0,0,0|1,0,1]=4 662 B9R0.6 CCOC(C)C(=O)N(C)C 11a_100102631434_100000739345 [0,1,1,0,0,0|2,0,0]=4 663 B9R0.6 CCOC(C)C(=O)N(C)C 1626a_100102631434_100000739345 [0,1,1,0,0,0|2,0,0]=4 664 B9R0.6 CCOC(C)C(=O)N(C)C 240690a_100102631434_100000739345 [0,1,1,0,0,0|2,0,0]=4 665 B9R0.6 CCOC(C)C(=O)N(C)C 527a_100102631434_100000739345 [0,1,1,0,0,0|2,0,0]=4 666 B9R0.6 CCSC(C)C(=O)C(C)C 1458a_100000230601_100000210206 [0,1,1,0,0,0|1,0,1]=4 667 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100000210202_100009893295 [0,1,1,0,0,0|1,0,1]=4 668 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100009893295_100000210202 [0,1,1,0,0,0|1,0,1]=4 669 B9R0.6 CCSC(C)C(=O)N(C)C 11a_100102631434_100000230601 [0,1,1,0,0,0|2,0,0]=4 670 B9R0.6 CCSC(C)C(=O)N(C)C 1626a_100102631434_100000230601 [0,1,1,0,0,0|2,0,0]=4 671 B9R0.6 CCSC(C)C(=O)N(C)C 240690a_100102631434_100000230601 [0,1,1,0,0,0|2,0,0]=4 672 B9R0.6 CCSC(C)C(=O)N(C)C 527a_100102631434_100000230601 [0,1,1,0,0,0|2,0,0]=4 673 B9R0.6 CCSC(C)C(=O)N(C)C 62a_100000209910_100000210202 [0,1,1,0,0,0|2,0,0]=4 674 B9R0.6 CCSC(C)C(=O)N(C)C 62a_100000210202_100000209910 [0,1,1,0,0,0|2,0,0]=4 675 B9R0.6 CN(CCO)C(=O)C(=O)N 240690a_100000210263_100011215815 [0,1,1,0,0,0|2,0,0]=4 676 B9R0.6 CNNC(=O)C(C)C(C)C 22a_100016993582_100000755409 [0,1,1,0,0,0|2,0,0]=4 677 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000210198_100000765312 [0,1,1,0,0,0|1,0,1]=4 678 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000751857_100000210206 [0,1,1,0,0,0|1,0,1]=4 679 B9R0.6 COCC(C)C(=O)C(C)F 1458a_100000062450_100000765312 [0,1,1,0,0,0|1,0,1]=4 680 B9R0.6 COCC(C)C(=O)N(C)C 11a_100102631434_100000751857 [0,1,1,0,0,0|2,0,0]=4 681 B9R0.6 COCC(C)C(=O)N(C)C 1626a_100102631434_100000751857 [0,1,1,0,0,0|2,0,0]=4 682 B9R0.6 COCC(C)C(=O)N(C)C 240690a_100102631434_100000751857 [0,1,1,0,0,0|2,0,0]=4 683 B9R0.6 COCC(C)C(=O)N(C)C 527a_100102631434_100000751857 [0,1,1,0,0,0|2,0,0]=4 684 B9R0.6 COCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000765312 [0,1,1,0,0,0|0,0,2]=4 685 B9R0.6 COCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000765312 [0,1,1,0,0,0|0,0,2]=4 686 B9R0.6 CSCC(C)C(=O)C(C)C 1458a_100000753918_100000210206 [0,1,1,0,0,0|1,0,1]=4 687 B9R0.6 CSCC(C)C(=O)N(C)C 11a_100102631434_100000753918 [0,1,1,0,0,0|2,0,0]=4 688 B9R0.6 CSCC(C)C(=O)N(C)C 1626a_100102631434_100000753918 [0,1,1,0,0,0|2,0,0]=4 689 B9R0.6 CSCC(C)C(=O)N(C)C 240690a_100102631434_100000753918 [0,1,1,0,0,0|2,0,0]=4 690 B9R0.6 CSCC(C)C(=O)N(C)C 527a_100102631434_100000753918 [0,1,1,0,0,0|2,0,0]=4 691 B9R0.25 C=CC(=O)N(C)C(C)(C)C 1626a_100011215553_100000185746 [0,1,1,0,0,0|2,0,0]=4 692 B9R0.25 C=CC(=O)N(C)C(C)(C)C 240690a_100011215553_200121576911 [0,1,1,0,0,0|2,0,0]=4 693 B9R0.25 CCC(C)C(=O)C(C)(C)C 1458a_106744555173_100000758301 [0,1,1,0,0,0|1,0,1]=4 694 B9R0.25 CCC(C)C(=O)C(C)(C)F 1458a_100000765255_100000758301 [0,1,1,0,0,0|1,0,1]=4 695 B9R0.25 CCC(C)C(=O)C(C)(C)O 1458a_100000242741_100000758301 [0,1,1,0,0,0|0,0,2]=4 696 B9R0.27 C#CC(C)C(=O)C(=O)NC 1458a_100011218921_200000035995 [0,1,1,0,0,0|0,0,2]=4 697 B9R0.27 C#CC(C)C(=O)C(C)CC 1458a_100011192722_200000035995 [0,1,1,0,0,0|1,0,1]=4 698 B9R0.27 C/C=C(\C)/C(=O)C(C)CC 1458a_100020587367_100000758301 [0,1,1,0,0,0|1,0,0]=3 699 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 11a_100000225621_100020587367 [0,1,1,0,0,0|2,0,0]=4 700 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 1626a_100000225621_100020587367 [0,1,1,0,0,0|2,0,0]=4 701 B9R0.27 C=CC(=O)N(C)C(C)CC 1626a_100000741768_100000185746 [0,1,1,0,0,0|2,0,0]=4 702 B9R0.27 C=CC(=O)N(C)C(C)CC 240690a_100000741768_200121576911 [0,1,1,0,0,0|2,0,0]=4 703 B9R0.27 C=CC(=O)N(C)C(C)CO 240690a_100000693034_200121576911 [0,1,1,0,0,0|2,0,0]=4 704 B9R0.27 C=CC(C)C(=O)C(C)CC 1458a_100011216780_100000758301 [0,1,1,0,0,0|1,0,1]=4 705 B9R0.27 CCC(=O)N(C)C(C)CC 11a_100000741768_100000210414 [0,1,1,0,0,0|2,0,0]=4 706 B9R0.27 CCC(=O)N(C)C(C)CC 1626a_100000741768_100000210414 [0,1,1,0,0,0|2,0,0]=4 707 B9R0.27 CCC(=O)N(C)C(C)CC 240690a_100000741768_100000210414 [0,1,1,0,0,0|2,0,0]=4 708 B9R0.27 CCC(=O)N(C)C(C)CC 527a_100000741768_100000210414 [0,1,1,0,0,0|2,0,0]=4 709 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,1,1,0,0,0|0,0,0]=2 710 B9R0.27 CCC(C)C(=O)C(C)C#N 1458a_100000753662_100000758301 [0,1,1,0,0,0|1,0,1]=4 711 B9R0.27 CCC(C)C(=O)C(C)C#N 1458a_100011192722_100000703298 [0,1,1,0,0,0|1,0,1]=4 712 B9R0.27 CCC(C)C(=O)C(C)CC 1458a_100011192722_100000758301 [0,1,1,0,0,0|1,0,1]=4 713 B9R0.27 CCC(C)C(=O)C(C)OC 1458a_100000743197_100000758301 [0,1,1,0,0,0|0,0,2]=4 714 B9R0.27 CCC(C)C(=O)C(C)SC 1458a_100000149566_100000758301 [0,1,1,0,0,0|0,1,1]=4 715 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [0,1,1,0,0,0|0,0,2]=4 716 B9R0.27 CCC(C)C(=O)C(O)CO 1458a_100011215603_100000758301 [0,1,1,0,0,0|0,0,2]=4 717 B9R0.27 CCC(C)C(=O)N(C)CC 11a_100000225621_100011192722 [0,1,1,0,0,0|2,0,0]=4 718 B9R0.27 CCC(C)C(=O)N(C)CC 1626a_100000225621_100011192722 [0,1,1,0,0,0|2,0,0]=4 719 B9R0.27 CCC(C)C(=O)N(C)CC 240690a_100000225621_100011192722 [0,1,1,0,0,0|2,0,0]=4 720 B9R0.27 CCC(C)C(=O)N(C)CC 527a_100000225621_100011192722 [0,1,1,0,0,0|2,0,0]=4 721 B9R0.27 CCC(C)N(C)C(=O)CO 240690a_100000741768_100000210174 [0,1,1,0,0,0|2,0,0]=4 722 B9R0.27 CCC(C)N(C)C(=O)CO 527a_100000741768_100000210174 [0,1,1,0,0,0|2,0,0]=4 723 B9R0.27 CCC(C)N(C)C(=O)NC 2708a_100102657272_100000741768 [0,1,1,0,0,0|2,0,0]=4 724 B9R0.27 CCC(C)N(C)C(=O)NC 273464a_100102657272_100000741768 [0,1,1,0,0,0|2,0,0]=4 725 B9R0.27 CCN(C)C(=O)C(=O)NC 1626a_100000225621_100011218921 [0,1,1,0,0,0|1,0,0]=3 726 B9R0.27 CCN(C)C(=O)C(=O)NC 240690a_100000225621_100011218921 [0,1,1,0,0,0|1,0,0]=3 727 B9R0.27 CCN(C)C(=O)C(=O)NC 527a_100000225621_100011218921 [0,1,1,0,0,0|1,0,0]=3 728 B9R0.27 CCN(C)C(=O)C(=O)OC 11a_100000225621_100000024059 [0,1,1,0,0,0|1,0,0]=3 729 B9R0.27 CCN(C)C(=O)C(=O)OC 1626a_100000225621_100000024059 [0,1,1,0,0,0|1,0,0]=3 730 B9R0.27 CCN(C)C(=O)C(=O)OC 240690a_100000225621_100000024059 [0,1,1,0,0,0|1,0,0]=3 731 B9R0.27 CCN(C)C(=O)C(=O)OC 527a_100000225621_100000024059 [0,1,1,0,0,0|1,0,0]=3 732 B9R0.27 CNC(=O)C(=O)C(C)C#N 1458a_100011218921_100000703298 [0,1,1,0,0,0|1,0,1]=4 733 B9R0.27 CNC(C)C(=O)C(=O)OC 2230a_106832991635_100000692041 [0,1,1,0,0,0|1,0,0]=3 734 B9R0.27 CNC(C)C(=O)C(=O)OC 34a_100102657272_100000692041 [0,1,1,0,0,0|1,0,0]=3 735 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [0,1,1,0,0,0|1,0,0]=3 736 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [0,1,1,0,0,0|1,0,0]=3 737 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [0,1,1,0,0,0|1,0,0]=3 738 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [0,1,1,0,0,0|1,0,0]=3 739 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [0,1,1,0,0,0|1,0,0]=3 740 B9R0.29 C=CC(=O)N(CC)C(C)C 1626a_100000223864_100000185746 [0,1,1,0,0,0|2,0,0]=4 741 B9R0.29 C=CC(=O)N(CC)C(C)C 240690a_100000223864_200121576911 [0,1,1,0,0,0|2,0,0]=4 742 B9R0.29 CCC(C)N(CC)C(=O)C 11a_100000732650_100015343762 [0,1,1,0,0,0|2,0,0]=4 743 B9R0.29 CCC(C)N(CC)C(=O)C 1626a_100000732650_100015343762 [0,1,1,0,0,0|2,0,0]=4 744 B9R0.29 CCC(C)N(CC)C(=O)C 240690a_100000732650_100015343762 [0,1,1,0,0,0|2,0,0]=4 745 B9R0.29 CCC(C)N(CC)C(=O)C 527a_100000732650_100103153847 [0,1,1,0,0,0|2,0,0]=4 746 B9R0.29 CNC(=O)C(NC)C(C)C 2230a_100000690981_200000210301 [0,1,1,0,0,0|2,0,0]=4 747 B9R0.29 CNC(=O)C(NC)C(C)C 34a_100000690981_200000210301 [0,1,1,0,0,0|2,0,0]=4 748 B9R0.29 CNC(=O)C(N[13CH3])C(C)C 2230a_100000690981_200025704644 [0,1,1,0,0,0|2,0,0]=4 749 B9R0.29 CNC(=O)C(N[13CH3])C(C)C 34a_100000690981_200025704644 [0,1,1,0,0,0|2,0,0]=4 750 B9R0.29 CNC(C(=O)OC)C(C)C 2230a_106832991635_100000736125 [0,1,1,0,0,0|2,0,0]=4 751 B9R0.29 CNC(C(=O)OC)C(C)C 34a_100102657272_100000736125 [0,1,1,0,0,0|2,0,0]=4 752 B9R0.29 CNC(C(=O)OC)C(C)C 7a_106832991635_100000736125 [0,1,1,0,0,0|2,0,0]=4 753 B9R0.29 COC(=O)C(OC)C(C)C 34a_100138415774_100000736125 [0,1,1,0,0,0|2,0,0]=4 754 B9R0.29 COC(=O)C(SC)C(C)C 62a_100000736125_200000210301 [0,1,1,0,0,0|2,0,0]=4 755 B9R0.29 COC(=O)C(SC)C(C)C 62a_200000210301_100000736125 [0,1,1,0,0,0|2,0,0]=4 756 B9R0.29 COC(=O)C(S[13CH3])C(C)C 62a_100000736125_200025704644 [0,1,1,0,0,0|2,0,0]=4 757 B9R0.29 COC(=O)C(S[13CH3])C(C)C 62a_200025704644_100000736125 [0,1,1,0,0,0|2,0,0]=4 758 B9R0.29 COC(=O)[C@H](OC)C(C)C 34a_100009883636_200000210301 [0,1,1,0,0,0|2,0,0]=4 759 B9R0.29 COC(=O)[C@H](OC)C(C)C 7a_100009883636_200000210301 [0,1,1,0,0,0|2,0,0]=4 760 B9R0.29 COC(=O)[C@H](O[13CH3])C(C)C 34a_100009883636_200025704644 [0,1,1,0,0,0|2,0,0]=4 761 B9R0.29 COC(=O)[C@H](O[13CH3])C(C)C 7a_100009883636_200025704644 [0,1,1,0,0,0|2,0,0]=4 762 B9R0.32 CCC(C)(C)C(=O)C(C)C 1458a_100000749717_100000210206 [0,1,1,0,0,0|1,0,1]=4 763 B9R0.32 CCC(C)(C)C(=O)N(C)C 11a_100102631434_100000749717 [0,1,1,0,0,0|2,0,0]=4 764 B9R0.32 CCC(C)(C)C(=O)N(C)C 1626a_100102631434_100000749717 [0,1,1,0,0,0|2,0,0]=4 765 B9R0.32 CCC(C)(C)C(=O)N(C)C 240690a_100102631434_100000749717 [0,1,1,0,0,0|2,0,0]=4 766 B9R0.32 CCC(C)(C)C(=O)N(C)C 527a_100102631434_100000749717 [0,1,1,0,0,0|2,0,0]=4 767 B9R0.32 CCC(C)(C)N(C)C(=O)C 11a_200000755171_100015343762 [0,1,1,0,0,0|2,0,0]=4 768 B9R0.32 CCC(C)(C)N(C)C(=O)C 1626a_200000755171_100015343762 [0,1,1,0,0,0|2,0,0]=4 769 B9R0.32 CCC(C)(C)N(C)C(=O)C 240690a_200000755171_100015343762 [0,1,1,0,0,0|2,0,0]=4 770 B9R0.32 CCC(C)(C)N(C)C(=O)C 527a_200000755171_100103153847 [0,1,1,0,0,0|2,0,0]=4 771 B9R0.32 CCC(C)(O)C(=O)C(C)C 1458a_100011219770_100000210206 [0,1,1,0,0,0|1,0,1]=4 772 B9R0.32 CCC(C)(O)C(=O)N(C)C 240690a_100102631434_100011219770 [0,1,1,0,0,0|2,0,0]=4 773 B9R0.41 C=C(C)C(=O)C(CC)CC 1458a_100000185857_100000210505 [0,1,1,0,0,0|1,0,0]=3 774 B9R0.41 C=C(C)C(=O)N(CC)CC 11a_100000724800_100000185857 [0,1,1,0,0,0|2,0,0]=4 775 B9R0.41 C=C(C)C(=O)N(CC)CC 1626a_100000724800_100000185857 [0,1,1,0,0,0|2,0,0]=4 776 B9R0.41 CCC(CC)C(=O)C(C)C 1458a_100000210198_100000210505 [0,1,1,0,0,0|1,0,1]=4 777 B9R0.41 CCC(CC)C(=O)C(C)C 1458a_100000211163_100000210206 [0,1,1,0,0,0|1,0,1]=4 778 B9R0.41 CCC(CC)C(=O)C(C)F 1458a_100000062450_100000210505 [0,1,1,0,0,0|1,0,1]=4 779 B9R0.41 CCC(CC)C(=O)N(C)C 11a_100102631434_100000211163 [0,1,1,0,0,0|2,0,0]=4 780 B9R0.41 CCC(CC)C(=O)N(C)C 1626a_100102631434_100000211163 [0,1,1,0,0,0|2,0,0]=4 781 B9R0.41 CCC(CC)C(=O)N(C)C 240690a_100102631434_100000211163 [0,1,1,0,0,0|2,0,0]=4 782 B9R0.41 CCC(CC)C(=O)N(C)C 527a_100102631434_100000211163 [0,1,1,0,0,0|2,0,0]=4 783 B9R0.41 CCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_100000210505 [0,1,1,0,0,0|0,0,2]=4 784 B9R0.41 CCC(CC)C(=O)[C@H](C)O 1458a_217856618621_100000210505 [0,1,1,0,0,0|0,0,2]=4 785 B9R0.41 CCC(CC)N(C)C(=O)C 11a_100000737045_100015343762 [0,1,1,0,0,0|2,0,0]=4 786 B9R0.41 CCC(CC)N(C)C(=O)C 1626a_100000737045_100015343762 [0,1,1,0,0,0|2,0,0]=4 787 B9R0.41 CCC(CC)N(C)C(=O)C 240690a_100000737045_100015343762 [0,1,1,0,0,0|2,0,0]=4 788 B9R0.41 CCC(CC)N(C)C(=O)C 527a_100000737045_100103153847 [0,1,1,0,0,0|2,0,0]=4 789 B9R0.41 CCC(NC)C(=O)N(C)C 2230a_106832991635_100011763435 [0,1,1,0,0,0|2,0,0]=4 790 B9R0.41 CCC(NC)C(=O)N(C)C 34a_100102657272_100011763435 [0,1,1,0,0,0|2,0,0]=4 791 B9R0.41 CCC(NC)C(=O)N(C)C 7a_106832991635_100011763435 [0,1,1,0,0,0|2,0,0]=4 792 B9R0.41 CCC(OC)C(=O)C(C)C 1458a_100000747056_100000210206 [0,1,1,0,0,0|1,0,1]=4 793 B9R0.41 CCC(OC)C(=O)N(C)C 11a_100102631434_100000747056 [0,1,1,0,0,0|2,0,0]=4 794 B9R0.41 CCC(OC)C(=O)N(C)C 1626a_100102631434_100000747056 [0,1,1,0,0,0|2,0,0]=4 795 B9R0.41 CCC(OC)C(=O)N(C)C 240690a_100102631434_100000747056 [0,1,1,0,0,0|2,0,0]=4 796 B9R0.41 CCC(OC)C(=O)N(C)C 34a_100138415774_100011763435 [0,1,1,0,0,0|2,0,0]=4 797 B9R0.41 CCC(OC)C(=O)N(C)C 527a_100102631434_100000747056 [0,1,1,0,0,0|2,0,0]=4 798 B9R0.41 CCC(SC)C(=O)N(C)C 62a_100011763435_200000210301 [0,1,1,0,0,0|2,0,0]=4 799 B9R0.41 CCC(SC)C(=O)N(C)C 62a_200000210301_100011763435 [0,1,1,0,0,0|2,0,0]=4 800 B9R0.41 CCC(S[13CH3])C(=O)N(C)C 62a_100011763435_200025704644 [0,1,1,0,0,0|2,0,0]=4 801 B9R0.41 CCC(S[13CH3])C(=O)N(C)C 62a_200025704644_100011763435 [0,1,1,0,0,0|2,0,0]=4 802 B9R0.41 CCN(CC)C(=O)C(=O)C 1458a_200000187824_200000210301 [0,1,1,0,0,0|1,0,0]=3 803 B9R0.41 CCN(CC)C(=O)C(=O)N 240690a_100000724800_100011215815 [0,1,1,0,0,0|2,0,0]=4 804 B9R0.41 CCN(CC)C(=O)C(=O)[13CH3] 1458a_200000187824_200025704644 [0,1,1,0,0,0|1,0,0]=3 805 B9R0.41 CC[C@@H](NC)C(=O)N(C)C 2230a_100102699731_200000210301 [0,1,1,0,0,0|2,0,0]=4 806 B9R0.41 CC[C@@H](NC)C(=O)N(C)C 34a_100102699731_200000210301 [0,1,1,0,0,0|2,0,0]=4 807 B9R0.41 CC[C@@H](N[13CH3])C(=O)N(C)C 2230a_100102699731_200025704644 [0,1,1,0,0,0|2,0,0]=4 808 B9R0.41 CC[C@@H](N[13CH3])C(=O)N(C)C 34a_100102699731_200025704644 [0,1,1,0,0,0|2,0,0]=4 809 B9R0.79 C=C(Br)C(=O)N(C)C(C)C 11a_200000211004_100009813364 [0,1,1,0,0,0|2,0,0]=4 810 B9R0.79 C=C(Br)C(=O)N(C)C(C)C 1626a_200000211004_100009813364 [0,1,1,0,0,0|2,0,0]=4 811 B9R0.79 C=C(C)C(=O)C(C)C(=O)C 1458a_100000185857_100000179758 [0,1,1,0,0,0|1,0,1]=4 812 B9R0.79 C=C(C)C(=O)N(C)C(C)C 11a_200000211004_100000185857 [0,1,1,0,0,0|2,0,0]=4 813 B9R0.79 C=C(C)C(=O)N(C)C(C)C 1626a_200000211004_100000185857 [0,1,1,0,0,0|2,0,0]=4 814 B9R0.79 C=C(Cl)C(=O)N(C)C(C)C 11a_200000211004_100000039160 [0,1,1,0,0,0|2,0,0]=4 815 B9R0.79 C=C(Cl)C(=O)N(C)C(C)C 1626a_200000211004_100000039160 [0,1,1,0,0,0|2,0,0]=4 816 B9R0.79 C=C(F)C(=O)N(C)C(C)C 11a_200000211004_100000036797 [0,1,1,0,0,0|2,0,0]=4 817 B9R0.79 C=C(F)C(=O)N(C)C(C)C 1626a_200000211004_100000036797 [0,1,1,0,0,0|2,0,0]=4 818 B9R0.79 CC(=O)N(C)C(C)C(C)C 11a_100000228512_100015343762 [0,1,1,0,0,0|2,0,0]=4 819 B9R0.79 CC(=O)N(C)C(C)C(C)C 1626a_100000228512_100015343762 [0,1,1,0,0,0|2,0,0]=4 820 B9R0.79 CC(=O)N(C)C(C)C(C)C 240690a_100000228512_100015343762 [0,1,1,0,0,0|2,0,0]=4 821 B9R0.79 CC(=O)N(C)C(C)C(C)C 527a_100000228512_100103153847 [0,1,1,0,0,0|2,0,0]=4 822 B9R0.79 CC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000210206 [0,1,1,0,0,0|1,0,1]=4 823 B9R0.79 CC(C)C(C)C(=O)N(C)C 11a_100102631434_100000755409 [0,1,1,0,0,0|2,0,0]=4 824 B9R0.79 CC(C)C(C)C(=O)N(C)C 1626a_100102631434_100000755409 [0,1,1,0,0,0|2,0,0]=4 825 B9R0.79 CC(C)C(C)C(=O)N(C)C 240690a_100102631434_100000755409 [0,1,1,0,0,0|2,0,0]=4 826 B9R0.79 CC(C)C(C)C(=O)N(C)C 527a_100102631434_100000755409 [0,1,1,0,0,0|2,0,0]=4 827 B9R0.79 CC(C)N(C)C(=O)C(=O)N 240690a_200000211004_100011215815 [0,1,1,0,0,0|1,0,0]=3 828 B9R0.8 C#CCCC(=O)C(=O)NC 1458a_100011218921_100000753159 [0,1,1,0,0,0|1,0,1]=4 829 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,1,0,0,0|1,0,1]=4 830 B9R0.8 C/C=C(\C)/C(=O)CCCF 1458a_100020587367_100011934791 [0,1,1,0,0,0|1,0,1]=4 831 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [0,1,1,0,0,0|1,0,1]=4 832 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [0,1,1,0,0,0|1,0,1]=4 833 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,1,1,0,0,0|1,0,1]=4 834 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [0,1,1,0,0,0|1,0,1]=4 835 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [0,1,1,0,0,0|1,0,1]=4 836 B9R0.8 C/C=C/CC(=O)C(=O)NC 1458a_100011218921_100102629194 [0,1,1,0,0,0|1,0,1]=4 837 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,1,1,0,0,0|2,0,0]=4 838 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,1,1,0,0,0|2,0,0]=4 839 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,1,1,0,0,0|2,0,0]=4 840 B9R0.8 C=CCCC(=O)C(=O)NC 1458a_100011218921_100000754431 [0,1,1,0,0,0|1,0,1]=4 841 B9R0.8 C=CCO[C@H](C)[C@H](C)C=C 34a_100015455354_100015514636 [0,1,1,0,0,0|2,0,0]=4 842 B9R0.8 C=CCO[C@H](C)[C@H](C)C=C 7a_100015455354_100015514636 [0,1,1,0,0,0|2,0,0]=4 843 B9R0.8 C=C[C@@H](C)[C@@H](C)OCC=O 34a_100015455354_200009817547 [0,1,1,0,0,0|1,0,0]=3 844 B9R0.8 C=C[C@@H](C)[C@@H](C)OCC=O 7a_100015455354_200015260668 [0,1,1,0,0,0|1,0,0]=3 845 B9R0.8 CC#CCC(=O)C(=O)NC 1458a_100011218921_100000748600 [0,1,1,0,0,0|1,0,1]=4 846 B9R0.8 CC=CCC(=O)C(=O)NC 1458a_100011218921_100000070051 [0,1,1,0,0,0|1,0,1]=4 847 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,1,1,0,0,0|0,0,2]=4 848 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [0,1,1,0,0,0|2,0,0]=4 849 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [0,1,1,0,0,0|2,0,0]=4 850 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [0,1,1,0,0,0|2,0,0]=4 851 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [0,1,1,0,0,0|2,0,0]=4 852 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [0,1,1,0,0,0|2,0,0]=4 853 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [0,1,1,0,0,0|2,0,0]=4 854 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [0,1,1,0,0,0|2,0,0]=4 855 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [0,1,1,0,0,0|2,0,0]=4 856 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [0,1,1,0,0,0|2,0,0]=4 857 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [0,1,1,0,0,0|2,0,0]=4 858 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,1,1,0,0,0|1,0,1]=4 859 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,1,1,0,0,0|1,0,1]=4 860 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,1,1,0,0,0|1,0,1]=4 861 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,1,1,0,0,0|1,0,1]=4 862 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,1,1,0,0,0|1,0,1]=4 863 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,1,1,0,0,0|1,0,1]=4 864 B9R0.8 CCC(C)C(C)OCC=O 7a_100011215189_200015260668 [0,1,1,0,0,0|1,0,1]=4 865 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,1,1,0,0,0|0,0,2]=4 866 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,1,1,0,0,0|0,0,2]=4 867 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,1,1,0,0,0|0,0,2]=4 868 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,1,1,0,0,0|0,0,2]=4 869 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,1,1,0,0,0|1,0,0]=3 870 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [0,1,1,0,0,0|2,0,0]=4 871 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,1,1,0,0,0|2,0,0]=4 872 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,1,1,0,0,0|2,0,0]=4 873 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,1,1,0,0,0|2,0,0]=4 874 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,1,0,0,0|1,0,0]=3 875 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,1,1,0,0,0|1,0,1]=4 876 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,1,1,0,0,0|1,0,1]=4 877 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,1,1,0,0,0|0,0,2]=4 878 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,1,1,0,0,0|2,0,0]=4 879 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,1,1,0,0,0|2,0,0]=4 880 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,1,1,0,0,0|2,0,0]=4 881 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,1,1,0,0,0|2,0,0]=4 882 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,1,0,0,0|1,0,1]=4 883 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,1,0,0,0|1,0,1]=4 884 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,1,0,0,0|0,0,2]=4 885 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,1,1,0,0,0|2,0,0]=4 886 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,1,1,0,0,0|2,0,0]=4 887 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,1,1,0,0,0|2,0,0]=4 888 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,1,1,0,0,0|2,0,0]=4 889 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,1,0,0,0|0,0,0]=2 890 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,1,1,0,0,0|1,0,0]=3 891 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,1,1,0,0,0|1,0,0]=3 892 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,1,1,0,0,0|1,0,0]=3 893 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,1,1,0,0,0|1,0,0]=3 894 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,1,1,0,0,0|1,0,0]=3 895 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,1,1,0,0,0|1,0,0]=3 896 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,1,1,0,0,0|1,0,0]=3 897 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,1,1,0,0,0|1,0,0]=3 898 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,1,1,0,0,0|1,0,0]=3 899 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,1,1,0,0,0|1,0,0]=3 900 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,1,1,0,0,0|1,0,0]=3 901 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,1,1,0,0,0|1,0,1]=4 902 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,1,1,0,0,0|1,0,1]=4 903 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,1,1,0,0,0|1,0,1]=4 904 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,1,1,0,0,0|1,0,1]=4 905 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,1,1,0,0,0|0,0,2]=4 906 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [0,1,1,0,0,0|2,0,0]=4 907 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [0,1,1,0,0,0|2,0,0]=4 908 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,1,1,0,0,0|1,0,1]=4 909 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,1,1,0,0,0|1,0,1]=4 910 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,1,1,0,0,0|2,0,0]=4 911 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,1,1,0,0,0|2,0,0]=4 912 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,1,1,0,0,0|2,0,0]=4 913 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,1,1,0,0,0|2,0,0]=4 914 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,1,1,0,0,0|2,0,0]=4 915 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,1,1,0,0,0|2,0,0]=4 916 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,1,1,0,0,0|2,0,0]=4 917 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,1,1,0,0,0|2,0,0]=4 918 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [0,1,1,0,0,0|2,0,0]=4 919 B9R0.8 CCNNC(=O)C(=O)NC 22a_100000756455_100011218921 [0,1,1,0,0,0|2,0,0]=4 920 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,1,0,0,0|1,0,0]=3 921 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,1,1,0,0,0|1,0,1]=4 922 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,1,1,0,0,0|2,0,0]=4 923 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,1,1,0,0,0|2,0,0]=4 924 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,1,1,0,0,0|2,0,0]=4 925 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,1,1,0,0,0|2,0,0]=4 926 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,1,1,0,0,0|2,0,0]=4 927 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,1,1,0,0,0|1,0,0]=3 928 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,1,1,0,0,0|1,0,0]=3 929 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [0,1,1,0,0,0|1,0,1]=4 930 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [0,1,1,0,0,0|2,0,0]=4 931 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [0,1,1,0,0,0|2,0,0]=4 932 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [0,1,1,0,0,0|2,0,0]=4 933 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [0,1,1,0,0,0|2,0,0]=4 934 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [0,1,1,0,0,0|2,0,0]=4 935 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [0,1,1,0,0,0|2,0,0]=4 936 B9R0.8 CNC(=O)C(=O)CCC#N 1458a_100011218921_100011215226 [0,1,1,0,0,0|1,0,1]=4 937 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,1,1,0,0,0|1,0,0]=3 938 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,1,1,0,0,0|1,0,0]=3 939 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,1,1,0,0,0|1,0,0]=3 940 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,1,1,0,0,0|1,0,0]=3 941 B9R0.8 CNC(=O)C(=O)NCCF 1626a_100000724931_100011218921 [0,1,1,0,0,0|2,0,0]=4 942 B9R0.8 CNC(=O)C(=O)NCCF 240690a_100000724931_100011218921 [0,1,1,0,0,0|2,0,0]=4 943 B9R0.8 CNC(=O)C(=O)NCCF 527a_100000724931_100011218921 [0,1,1,0,0,0|2,0,0]=4 944 B9R0.8 CNC(=O)C(=O)NCCO 240690a_100000210304_100011218921 [0,1,1,0,0,0|2,0,0]=4 945 B9R0.8 CNC(=O)C(=O)NCCO 527a_100000210304_100011218921 [0,1,1,0,0,0|2,0,0]=4 946 B9R0.8 COC(=O)C(=O)CSCF 62a_100011610305_100015361967 [0,1,1,0,0,0|2,0,0]=4 947 B9R0.8 COC(=O)C(=O)CSCF 62a_100015361967_100011610305 [0,1,1,0,0,0|2,0,0]=4 948 B9R0.8 COC(=O)C(=O)NCCF 11a_100000724931_100000024059 [0,1,1,0,0,0|2,0,0]=4 949 B9R0.8 COC(=O)C(=O)NCCF 1626a_100000724931_100000024059 [0,1,1,0,0,0|2,0,0]=4 950 B9R0.8 COC(=O)C(=O)NCCF 240690a_100000724931_100000024059 [0,1,1,0,0,0|2,0,0]=4 951 B9R0.8 COC(=O)C(=O)NCCF 527a_100000724931_100000024059 [0,1,1,0,0,0|2,0,0]=4 952 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,1,1,0,0,0|2,0,0]=4 953 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,1,1,0,0,0|2,0,0]=4 954 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [0,1,1,0,0,0|1,0,1]=4 955 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [0,1,1,0,0,0|1,0,1]=4 956 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [0,1,1,0,0,0|2,0,0]=4 957 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [0,1,1,0,0,0|2,0,0]=4 958 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [0,1,1,0,0,0|2,0,0]=4 959 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [0,1,1,0,0,0|2,0,0]=4 960 B9R0.19 CCCC(=O)C(C)(C)CC 1458a_100000749717_100000210303 [0,1,1,0,0,0|1,0,1]=4 961 B9R0.19 CCCC(=O)C(C)(O)CC 1458a_100011219770_100000210303 [0,1,1,0,0,0|0,0,2]=4 962 B9R0.19 CCCC(=O)C(F)(F)CC 1458a_100000061896_100000210303 [0,1,1,0,0,0|1,0,1]=4 963 B9R0.23 C/C=C(\C)/C(=O)CC(C)C 1458a_100020587367_100000210624 [0,1,1,0,0,0|1,0,1]=4 964 B9R0.23 C/C=C(\C)/C(=O)CC(C)O 1458a_100020587367_100011218427 [0,1,1,0,0,0|1,0,1]=4 965 B9R0.23 C=C(C)CC(=O)C(=O)NC 1458a_100011218921_100000748629 [0,1,1,0,0,0|1,0,1]=4 966 B9R0.23 C=CC(C)N(C)CC(=O)O 269956a_100000746989_100011215867 [0,1,1,0,0,0|2,0,0]=4 967 B9R0.23 CC(C)NC(=O)C(=O)CF 1458a_100011220036_100015361967 [0,1,1,0,0,0|2,0,0]=4 968 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,1,1,0,0,0|1,0,0]=3 969 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,1,1,0,0,0|1,0,1]=4 970 B9R0.23 CCC(=O)N(C)CC(C)C 11a_100000747067_100000210414 [0,1,1,0,0,0|2,0,0]=4 971 B9R0.23 CCC(=O)N(C)CC(C)C 1626a_100000747067_100000210414 [0,1,1,0,0,0|2,0,0]=4 972 B9R0.23 CCC(=O)N(C)CC(C)C 240690a_100000747067_100000210414 [0,1,1,0,0,0|2,0,0]=4 973 B9R0.23 CCC(=O)N(C)CC(C)C 527a_100000747067_100000210414 [0,1,1,0,0,0|2,0,0]=4 974 B9R0.23 CCC(=O)N(C)CC(C)O 240690a_100000227577_100000210414 [0,1,1,0,0,0|2,0,0]=4 975 B9R0.23 CCC(=O)N(C)CC(C)O 527a_100000227577_100000210414 [0,1,1,0,0,0|2,0,0]=4 976 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [0,1,1,0,0,0|0,0,2]=4 977 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [0,1,1,0,0,0|1,0,1]=4 978 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [0,1,1,0,0,0|1,0,1]=4 979 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [0,1,1,0,0,0|1,0,1]=4 980 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [0,1,1,0,0,0|1,0,1]=4 981 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [0,1,1,0,0,0|0,0,2]=4 982 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [0,1,1,0,0,0|0,0,2]=4 983 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [0,1,1,0,0,0|2,0,0]=4 984 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [0,1,1,0,0,0|2,0,0]=4 985 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [0,1,1,0,0,0|2,0,0]=4 986 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [0,1,1,0,0,0|2,0,0]=4 987 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [0,1,1,0,0,0|2,0,0]=4 988 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,1,1,0,0,0|1,0,0]=3 989 B9R0.23 CNC(=O)C(=O)CC(C)O 1458a_100011218921_100011218427 [0,1,1,0,0,0|1,0,0]=3 990 B9R0.23 CNC(=O)C(=O)CC(F)F 1458a_100011218921_100011934356 [0,1,1,0,0,0|2,0,0]=4 991 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100102657272_100011220036 [0,1,1,0,0,0|2,0,0]=4 992 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100138425928_100011218921 [0,1,1,0,0,0|2,0,0]=4 993 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100102657272_100011220036 [0,1,1,0,0,0|2,0,0]=4 994 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100138425928_100011218921 [0,1,1,0,0,0|2,0,0]=4 995 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100102657272_100011220036 [0,1,1,0,0,0|2,0,0]=4 996 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100138425928_100011218921 [0,1,1,0,0,0|2,0,0]=4 997 B9R0.23 COC(=O)C(=O)NC(C)C 11a_100138425928_100000024059 [0,1,1,0,0,0|2,0,0]=4 998 B9R0.23 COC(=O)C(=O)NC(C)C 1626a_100138425928_100000024059 [0,1,1,0,0,0|2,0,0]=4 999 B9R0.23 COC(=O)C(=O)NC(C)C 240690a_100138425928_100000024059 [0,1,1,0,0,0|2,0,0]=4 1000 B9R0.23 COC(=O)C(=O)NC(C)C 527a_100138425928_100000024059 [0,1,1,0,0,0|2,0,0]=4 1001 B9R0.35 C#CCC(=O)C(=O)NCC 1458a_200011297158_100000184674 [0,1,1,0,0,0|0,0,2]=4 1002 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,1,1,0,0,0|2,0,0]=4 1003 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,1,1,0,0,0|2,0,0]=4 1004 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,1,1,0,0,0|2,0,0]=4 1005 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,1,1,0,0,0|2,0,0]=4 1006 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,1,1,0,0,0|2,0,0]=4 1007 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,1,1,0,0,0|2,0,0]=4 1008 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,1,1,0,0,0|2,0,0]=4 1009 B9R0.35 C=CCC(=O)C(=O)NCC 1458a_200011297158_100000210623 [0,1,1,0,0,0|0,0,2]=4 1010 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,1,1,0,0,0|1,0,0]=3 1011 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,1,1,0,0,0|1,0,1]=4 1012 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,1,1,0,0,0|1,0,1]=4 1013 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,1,1,0,0,0|1,0,1]=4 1014 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,1,1,0,0,0|1,0,1]=4 1015 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,1,1,0,0,0|1,0,1]=4 1016 B9R0.35 CCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210303 [0,1,1,0,0,0|2,0,0]=4 1017 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,1,1,0,0,0|0,0,0]=2 1018 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,1,1,0,0,0|1,0,1]=4 1019 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,1,1,0,0,0|1,0,1]=4 1020 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,1,1,0,0,0|1,0,1]=4 1021 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,1,1,0,0,0|1,0,1]=4 1022 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,1,1,0,0,0|1,0,1]=4 1023 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,1,1,0,0,0|1,0,1]=4 1024 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,1,1,0,0,0|1,0,1]=4 1025 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,1,1,0,0,0|1,0,1]=4 1026 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,1,1,0,0,0|2,0,0]=4 1027 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,1,1,0,0,0|2,0,0]=4 1028 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,1,1,0,0,0|2,0,0]=4 1029 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,1,1,0,0,0|2,0,0]=4 1030 B9R0.35 CCCC(=O)N(C)CCO 240690a_100000210263_100000211992 [0,1,1,0,0,0|2,0,0]=4 1031 B9R0.35 CCCC(=O)N(C)CCO 527a_100000210263_100000211992 [0,1,1,0,0,0|2,0,0]=4 1032 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,1,1,0,0,0|0,0,2]=4 1033 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,1,1,0,0,0|1,0,1]=4 1034 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,1,1,0,0,0|1,0,1]=4 1035 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,1,1,0,0,0|1,0,1]=4 1036 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,1,1,0,0,0|1,0,1]=4 1037 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,1,1,0,0,0|1,0,1]=4 1038 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,1,1,0,0,0|1,0,1]=4 1039 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,1,1,0,0,0|1,0,1]=4 1040 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,1,1,0,0,0|1,0,1]=4 1041 B9R0.35 CCCN(C)C(=O)CCO 240690a_100000747261_100011216618 [0,1,1,0,0,0|2,0,0]=4 1042 B9R0.35 CCCN(C)C(=O)COC 11a_100000747261_100000210968 [0,1,1,0,0,0|2,0,0]=4 1043 B9R0.35 CCCN(C)C(=O)COC 1626a_100000747261_100000210968 [0,1,1,0,0,0|2,0,0]=4 1044 B9R0.35 CCCN(C)C(=O)COC 240690a_100000747261_100000210968 [0,1,1,0,0,0|2,0,0]=4 1045 B9R0.35 CCCN(C)C(=O)COC 527a_100000747261_100000210968 [0,1,1,0,0,0|2,0,0]=4 1046 B9R0.35 CCCN(C)C(=O)CSC 11a_100000747261_100000184570 [0,1,1,0,0,0|2,0,0]=4 1047 B9R0.35 CCCN(C)C(=O)CSC 1626a_100000747261_100000184570 [0,1,1,0,0,0|2,0,0]=4 1048 B9R0.35 CCCN(C)C(=O)CSC 240690a_100000747261_100000184570 [0,1,1,0,0,0|2,0,0]=4 1049 B9R0.35 CCCN(C)C(=O)CSC 527a_100000747261_100000184570 [0,1,1,0,0,0|2,0,0]=4 1050 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,1,1,0,0,0|2,0,0]=4 1051 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,1,1,0,0,0|2,0,0]=4 1052 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,1,1,0,0,0|0,0,2]=4 1053 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,1,1,0,0,0|0,0,2]=4 1054 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,1,1,0,0,0|0,0,2]=4 1055 B9R0.35 CCNC(=O)C(=O)CC#N 1458a_200011297158_100011214920 [0,1,1,0,0,0|1,0,1]=4 1056 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,1,1,0,0,0|1,0,0]=3 1057 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,1,1,0,0,0|1,0,0]=3 1058 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,1,1,0,0,0|1,0,0]=3 1059 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,1,1,0,0,0|1,0,0]=3 1060 B9R0.35 CCNC(=O)C(=O)NNC 22a_100016993582_200011297158 [0,1,1,0,0,0|2,0,0]=4 1061 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,1,1,0,0,0|1,0,0]=3 1062 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,1,1,0,0,0|1,0,0]=3 1063 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,1,1,0,0,0|1,0,0]=3 1064 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,1,1,0,0,0|1,0,0]=3 1065 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,1,1,0,0,0|1,0,0]=3 1066 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,1,1,0,0,0|1,0,0]=3 1067 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [0,1,1,0,0,0|1,0,1]=4 1068 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [0,1,1,0,0,0|1,0,1]=4 1069 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [0,1,1,0,0,0|0,0,2]=4 1070 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [0,1,1,0,0,0|2,0,0]=4 1071 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [0,1,1,0,0,0|2,0,0]=4 1072 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [0,1,1,0,0,0|2,0,0]=4 1073 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [0,1,1,0,0,0|2,0,0]=4 1074 B9R0.60 CCCC(C)(C)C(=O)CC 1458a_100011215034_100000210202 [0,1,1,0,0,0|1,0,1]=4 1075 B9R0.22 C=CC(=O)NC(C)(C)CC 1626a_100000211385_100000185746 [0,1,1,0,0,0|2,0,0]=4 1076 B9R0.22 C=CC(=O)NC(C)(C)CC 240690a_100000211385_200121576911 [0,1,1,0,0,0|2,0,0]=4 1077 B9R0.22 CCC(=O)CC(C)(C)CC 1458a_200000763500_100000210202 [0,1,1,0,0,0|1,0,1]=4 1078 B9R0.22 CCC(=O)CC(C)(O)CC 1458a_200011219800_100000210202 [0,1,1,0,0,0|1,0,1]=4 1079 B9R0.22 CCC(C)(C)CC(=O)CF 1458a_200000763500_100015361967 [0,1,1,0,0,0|1,0,1]=4 1080 B9R0.22 CCC(C)(C)CC(=O)NC 11a_106832991635_200000763500 [0,1,1,0,0,0|2,0,0]=4 1081 B9R0.22 CCC(C)(C)CC(=O)NC 1626a_100102657272_200000763500 [0,1,1,0,0,0|2,0,0]=4 1082 B9R0.22 CCC(C)(C)CC(=O)NC 240690a_100102657272_200000763500 [0,1,1,0,0,0|2,0,0]=4 1083 B9R0.22 CCC(C)(C)CC(=O)NC 527a_100102657272_200000763500 [0,1,1,0,0,0|2,0,0]=4 1084 B9R0.22 CCC(C)(O)CC(=O)CF 1458a_200011219800_100015361967 [0,1,1,0,0,0|1,0,1]=4 1085 B9R0.22 CCC(C)(O)CC(=O)NC 240690a_100102657272_200011219800 [0,1,1,0,0,0|2,0,0]=4 1086 B9R0.22 CCC(C)(O)CC(=O)NC 527a_100102657272_200011219800 [0,1,1,0,0,0|2,0,0]=4 1087 B9R0.26 C#CC(=O)CC(CC)CC 1458a_100000211873_100011215472 [0,1,1,0,0,0|1,0,1]=4 1088 B9R0.26 C=CC(=O)CC(CC)CC 1458a_100000185746_100011215472 [0,1,1,0,0,0|1,0,0]=3 1089 B9R0.26 C=CC(=O)CC(OC)OC 1458a_100000185746_100000751394 [0,1,1,0,0,0|2,0,0]=4 1090 B9R0.26 C=CC(=O)NC(CC)CC 1626a_100000199018_100000185746 [0,1,1,0,0,0|2,0,0]=4 1091 B9R0.26 C=CC(=O)NC(CC)CC 240690a_100000199018_200121576911 [0,1,1,0,0,0|2,0,0]=4 1092 B9R0.26 C=CC(=O)N[C@@H](CC)CO 240690a_100000709445_200121576911 [0,1,1,0,0,0|2,0,0]=4 1093 B9R0.26 CCC(=O)CC(CC)CC 1458a_100000210414_100011215472 [0,1,1,0,0,0|1,0,1]=4 1094 B9R0.26 CCC(C)NC(C=O)C=O 2230a_100000209981_100000736813 [0,1,1,0,0,0|1,0,1]=4 1095 B9R0.26 CCC(C)SC(C=O)C=O 62a_100000736813_100000758301 [0,1,1,0,0,0|1,0,1]=4 1096 B9R0.26 CCC(C)SC(C=O)C=O 62a_100000758301_100000736813 [0,1,1,0,0,0|1,0,1]=4 1097 B9R0.26 CCC(CC)CC(=O)CO 1458a_100000210174_100011215472 [0,1,1,0,0,0|0,0,2]=4 1098 B9R0.26 CC[C@@H](CC(=O)OC)OC 7a_200015357724_200000210301 [0,1,1,0,0,0|2,0,0]=4 1099 B9R0.26 CC[C@@H](CC(=O)OC)O[13CH3] 7a_200015357724_200025704644 [0,1,1,0,0,0|2,0,0]=4 1100 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [0,1,1,0,0,0|1,0,1]=4 1101 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100000708755_100000184674 [0,1,1,0,0,0|1,0,1]=4 1102 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100011220946_100000748023 [0,1,1,0,0,0|1,0,1]=4 1103 B9R0.34 C#CCC(=O)C[C@@H](C)CC 1458a_100011220946_100009816398 [0,1,1,0,0,0|1,0,1]=4 1104 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,1,1,0,0,0|1,0,0]=3 1105 B9R0.34 C=CC(=O)NC(C)CCC 1626a_100000741246_100000185746 [0,1,1,0,0,0|2,0,0]=4 1106 B9R0.34 C=CC(=O)NC(C)CCC 240690a_100000741246_200121576911 [0,1,1,0,0,0|2,0,0]=4 1107 B9R0.34 C=CC(=O)N[C@H](C)CCO 240690a_100000706166_200121576911 [0,1,1,0,0,0|2,0,0]=4 1108 B9R0.34 C=CC(=O)N[C@H](C)COC 1626a_100000764878_100000185746 [0,1,1,0,0,0|2,0,0]=4 1109 B9R0.34 C=CC(=O)N[C@H](C)COC 240690a_100000764878_200121576911 [0,1,1,0,0,0|2,0,0]=4 1110 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [0,1,1,0,0,0|1,0,0]=3 1111 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [0,1,1,0,0,0|1,0,0]=3 1112 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100000210193_100011218378 [0,1,1,0,0,0|2,0,0]=4 1113 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100011667805_100000210623 [0,1,1,0,0,0|2,0,0]=4 1114 B9R0.34 C=CCC(=O)CN(C)CC 1458a_100116209913_100000210623 [0,1,1,0,0,0|2,0,0]=4 1115 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [0,1,1,0,0,0|1,0,0]=3 1116 B9R0.34 C=CCC(=O)C[C@@H](C)CO 1458a_100000210193_100000059175 [0,1,1,0,0,0|2,0,0]=4 1117 B9R0.34 C=CCC(=O)NC(C)CC 11a_100000209981_100000210193 [0,1,1,0,0,0|2,0,0]=4 1118 B9R0.34 C=CCC(=O)NC(C)CC 1626a_100000209981_100000210193 [0,1,1,0,0,0|2,0,0]=4 1119 B9R0.34 C=CCC(=O)NC(C)CC 240690a_100000209981_100000210193 [0,1,1,0,0,0|2,0,0]=4 1120 B9R0.34 C=CCC(=O)NC(C)CC 527a_100000209981_100000210193 [0,1,1,0,0,0|2,0,0]=4 1121 B9R0.34 C=COC(=O)CN(C)CC 2230a_100000225621_100000036128 [0,1,1,0,0,0|2,0,0]=4 1122 B9R0.34 C=COC(=O)CN(C)CC 269982a_100000225621_100000036128 [0,1,1,0,0,0|2,0,0]=4 1123 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [0,1,1,0,0,0|1,0,1]=4 1124 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [0,1,1,0,0,0|1,0,1]=4 1125 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,1,1,0,0,0|1,0,0]=3 1126 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,1,1,0,0,0|2,0,0]=4 1127 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,1,1,0,0,0|1,0,0]=3 1128 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [0,1,1,0,0,0|2,0,0]=4 1129 B9R0.34 CC=CC(=O)NC(C)CC 11a_100000209981_100000210699 [0,1,1,0,0,0|2,0,0]=4 1130 B9R0.34 CC=CC(=O)NC(C)CC 1626a_100000209981_100000210699 [0,1,1,0,0,0|2,0,0]=4 1131 B9R0.34 CC=CC(=O)NC(C)CC 240690a_100000209981_100000210699 [0,1,1,0,0,0|2,0,0]=4 1132 B9R0.34 CCC(C)CC(=O)C=CBr 1458a_100016273825_100000748023 [0,1,1,0,0,0|1,0,0]=3 1133 B9R0.34 CCC(C)CC(=O)C=CCl 1458a_200016279998_100000748023 [0,1,1,0,0,0|1,0,0]=3 1134 B9R0.34 CCC(C)CC(=O)C=CI 1458a_100016256311_100000748023 [0,1,1,0,0,0|1,0,0]=3 1135 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100000708755_100011214920 [0,1,1,0,0,0|1,0,1]=4 1136 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100051588842_100000748023 [0,1,1,0,0,0|1,0,1]=4 1137 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,1,1,0,0,0|1,0,1]=4 1138 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,1,1,0,0,0|0,0,2]=4 1139 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,1,1,0,0,0|0,0,2]=4 1140 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,1,1,0,0,0|0,0,2]=4 1141 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,1,1,0,0,0|0,1,1]=4 1142 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [0,1,1,0,0,0|2,0,0]=4 1143 B9R0.34 CCC(C)CN(C)CC=O 2230a_100000753921_200015260668 [0,1,1,0,0,0|2,0,0]=4 1144 B9R0.34 CCC(C)CN(C)CC=O 269982a_100000753921_200015260668 [0,1,1,0,0,0|2,0,0]=4 1145 B9R0.34 CCC(C)NC(=O)C=CBr 1626a_100000209981_100016273825 [0,1,1,0,0,0|2,0,0]=4 1146 B9R0.34 CCC(C)NC(=O)C=CBr 240690a_100000209981_100016273825 [0,1,1,0,0,0|2,0,0]=4 1147 B9R0.34 CCC(C)NC(=O)C=CCl 11a_100000209981_200016279998 [0,1,1,0,0,0|2,0,0]=4 1148 B9R0.34 CCC(C)NC(=O)C=CCl 1626a_100000209981_200016279998 [0,1,1,0,0,0|2,0,0]=4 1149 B9R0.34 CCC(C)NC(=O)C=CCl 240690a_100000209981_200016279998 [0,1,1,0,0,0|2,0,0]=4 1150 B9R0.34 CCC(C)NC(=O)C=CI 1626a_100000209981_100016256311 [0,1,1,0,0,0|2,0,0]=4 1151 B9R0.34 CCC(O)CC(=O)C=CBr 1458a_100016273825_100011218378 [0,1,1,0,0,0|2,0,0]=4 1152 B9R0.34 CCC(O)CC(=O)C=CCl 1458a_200016279998_100011218378 [0,1,1,0,0,0|2,0,0]=4 1153 B9R0.34 CCC(O)CC(=O)C=CI 1458a_100016256311_100011218378 [0,1,1,0,0,0|2,0,0]=4 1154 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,1,1,0,0,0|1,0,1]=4 1155 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,1,1,0,0,0|1,0,1]=4 1156 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,1,1,0,0,0|1,0,1]=4 1157 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,1,1,0,0,0|1,0,1]=4 1158 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,1,1,0,0,0|1,0,1]=4 1159 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,1,1,0,0,0|1,0,1]=4 1160 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,1,1,0,0,0|0,0,2]=4 1161 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,1,1,0,0,0|2,0,0]=4 1162 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,1,1,0,0,0|2,0,0]=4 1163 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,1,1,0,0,0|2,0,0]=4 1164 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,1,1,0,0,0|2,0,0]=4 1165 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,1,1,0,0,0|1,0,1]=4 1166 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,1,1,0,0,0|1,0,1]=4 1167 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,1,1,0,0,0|1,0,1]=4 1168 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,1,1,0,0,0|2,0,0]=4 1169 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,1,1,0,0,0|2,0,0]=4 1170 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,1,1,0,0,0|1,0,1]=4 1171 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [0,1,1,0,0,0|1,0,1]=4 1172 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,1,1,0,0,0|2,0,0]=4 1173 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,1,1,0,0,0|2,0,0]=4 1174 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,1,1,0,0,0|2,0,0]=4 1175 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,1,1,0,0,0|2,0,0]=4 1176 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,1,1,0,0,0|2,0,0]=4 1177 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,1,1,0,0,0|2,0,0]=4 1178 B9R0.34 CC[C@H](C)CC(=O)C=CBr 1458a_100016273825_100009816398 [0,1,1,0,0,0|1,0,0]=3 1179 B9R0.34 CC[C@H](C)CC(=O)C=CCl 1458a_200016279998_100009816398 [0,1,1,0,0,0|1,0,0]=3 1180 B9R0.34 CC[C@H](C)CC(=O)C=CI 1458a_100016256311_100009816398 [0,1,1,0,0,0|1,0,0]=3 1181 B9R0.34 CC[C@H](C)CC(=O)CC#N 1458a_100051588842_100009816398 [0,1,1,0,0,0|1,0,1]=4 1182 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,1,1,0,0,0|0,0,2]=4 1183 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,1,1,0,0,0|0,0,2]=4 1184 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,1,1,0,0,0|0,1,1]=4 1185 B9R0.34 C[C@@H](CO)CC(=O)C=CBr 1458a_100016273825_100000059175 [0,1,1,0,0,0|2,0,0]=4 1186 B9R0.34 C[C@@H](CO)CC(=O)C=CCl 1458a_200016279998_100000059175 [0,1,1,0,0,0|2,0,0]=4 1187 B9R0.34 C[C@@H](CO)CC(=O)C=CI 1458a_100016256311_100000059175 [0,1,1,0,0,0|2,0,0]=4 1188 B9R0.42 C=C(Br)C(=O)NC(C)CC 11a_100000209981_100009813364 [0,1,1,0,0,0|2,0,0]=4 1189 B9R0.42 C=C(Br)C(=O)NC(C)CC 1626a_100000209981_100009813364 [0,1,1,0,0,0|2,0,0]=4 1190 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,1,1,0,0,0|1,0,0]=3 1191 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [0,1,1,0,0,0|2,0,0]=4 1192 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,1,1,0,0,0|1,0,0]=3 1193 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [0,1,1,0,0,0|2,0,0]=4 1194 B9R0.42 C=C(C)C(=O)NC(C)CC 11a_100000209981_100000185857 [0,1,1,0,0,0|2,0,0]=4 1195 B9R0.42 C=C(C)C(=O)NC(C)CC 1626a_100000209981_100000185857 [0,1,1,0,0,0|2,0,0]=4 1196 B9R0.42 C=C(Cl)C(=O)NC(C)CC 11a_100000209981_100000039160 [0,1,1,0,0,0|2,0,0]=4 1197 B9R0.42 C=C(Cl)C(=O)NC(C)CC 1626a_100000209981_100000039160 [0,1,1,0,0,0|2,0,0]=4 1198 B9R0.42 C=C(F)C(=O)NC(C)CC 11a_100000209981_100000036797 [0,1,1,0,0,0|2,0,0]=4 1199 B9R0.42 C=C(F)C(=O)NC(C)CC 1626a_100000209981_100000036797 [0,1,1,0,0,0|2,0,0]=4 1200 B9R0.42 C=CC(=O)NC(C)C(C)C 1626a_100000211541_100000185746 [0,1,1,0,0,0|2,0,0]=4 1201 B9R0.42 C=CC(=O)NC(C)C(C)C 240690a_100000211541_200121576911 [0,1,1,0,0,0|2,0,0]=4 1202 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,1,1,0,0,0|1,0,1]=4 1203 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [0,1,1,0,0,0|1,0,1]=4 1204 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [0,1,1,0,0,0|1,0,1]=4 1205 B9R0.42 CCC(C)CC(=O)C(C)F 1458a_100000062450_100000748023 [0,1,1,0,0,0|1,0,1]=4 1206 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [0,1,1,0,0,0|0,0,2]=4 1207 B9R0.42 CCC(C)CC(=O)N(C)C 11a_100102631434_100000708755 [0,1,1,0,0,0|2,0,0]=4 1208 B9R0.42 CCC(C)CC(=O)N(C)C 1626a_100102631434_100000708755 [0,1,1,0,0,0|2,0,0]=4 1209 B9R0.42 CCC(C)CC(=O)N(C)C 240690a_100102631434_100000708755 [0,1,1,0,0,0|2,0,0]=4 1210 B9R0.42 CCC(C)CC(=O)N(C)C 527a_100102631434_100000708755 [0,1,1,0,0,0|2,0,0]=4 1211 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,1,1,0,0,0|0,0,2]=4 1212 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,1,1,0,0,0|0,0,2]=4 1213 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,1,1,0,0,0|2,0,0]=4 1214 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,1,1,0,0,0|2,0,0]=4 1215 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,1,1,0,0,0|2,0,0]=4 1216 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,1,1,0,0,0|2,0,0]=4 1217 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,1,1,0,0,0|1,0,0]=3 1218 B9R0.42 CCC(C)NC(=O)C(=O)N 240690a_100000209981_100011215815 [0,1,1,0,0,0|1,0,0]=3 1219 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,1,1,0,0,0|1,0,0]=3 1220 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,1,1,0,0,0|1,0,0]=3 1221 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [0,1,1,0,0,0|1,0,1]=4 1222 B9R0.42 CC[C@H](C)CC(=O)C(C)F 1458a_100000062450_100009816398 [0,1,1,0,0,0|1,0,1]=4 1223 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [0,1,1,0,0,0|0,0,2]=4 1224 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,1,1,0,0,0|0,0,2]=4 1225 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,1,1,0,0,0|0,0,2]=4 1226 B9R0.42 C[C@H](CF)NC(=O)C(=O)N 240690a_100102880703_100011215815 [0,1,1,0,0,0|2,0,0]=4 1227 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 240690a_100000737577_100011215815 [0,1,1,0,0,0|2,0,0]=4 1228 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [1,1,0,0,0,0|2,0,0]=4 1229 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [1,1,0,0,0,0|2,0,0]=4 1230 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [1,1,0,0,0,0|2,0,0]=4 1231 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [1,1,0,0,0,0|2,0,0]=4 1232 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_100000755940_200025704644 [1,1,0,0,0,0|2,0,0]=4 1233 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_200025704644_100000755940 [1,1,0,0,0,0|2,0,0]=4 1234 B9R1.132 CNC1CCN(C1=O)C 2230a_106832991635_100000755940 [1,1,0,0,0,0|2,0,0]=4 1235 B9R1.132 CNC1CCN(C1=O)C 34a_100102657272_100000755940 [1,1,0,0,0,0|2,0,0]=4 1236 B9R1.132 CNC1CCN(C1=O)C 7a_106832991635_100000755940 [1,1,0,0,0,0|2,0,0]=4 1237 B9R1.132 COC1CCN(C1=O)C 34a_100138415774_100000755940 [1,1,0,0,0,0|2,0,0]=4 1238 B9R1.132 CSC1CCN(C1=O)C 62a_100000755940_200000210301 [1,1,0,0,0,0|2,0,0]=4 1239 B9R1.132 CSC1CCN(C1=O)C 62a_200000210301_100000755940 [1,1,0,0,0,0|2,0,0]=4 1240 B9R1.28 COC1C(=O)C(=O)C1=O 7a_100010658403_200000210301 [0,1,0,0,1,0|1,0,1]=4 1241 B9R1.28 [13CH3]OC1C(=O)C(=O)C1=O 7a_100010658403_200025704644 [0,1,0,0,1,0|1,0,1]=4 1242 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,1,1,0,0|1,0,1]=4 1243 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,0,1,1,0,0|2,0,0]=4 1244 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,0,1,1,0,0|2,0,0]=4 1245 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,0,1,1,0,0|2,0,0]=4 1246 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,0,1,1,0,0|2,0,0]=4 1247 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,0,1,1,0,0|2,0,0]=4 1248 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,1,1,0,0|1,0,1]=4 1249 B9R1.45 CC(C)C(=O)C1CC1C 1458a_100000211227_100000210206 [0,0,1,1,0,0|1,0,1]=4 1250 B9R1.45 CC1CC1C(=O)N(C)C 11a_100102631434_100000211227 [0,0,1,1,0,0|2,0,0]=4 1251 B9R1.45 CC1CC1C(=O)N(C)C 1626a_100102631434_100000211227 [0,0,1,1,0,0|2,0,0]=4 1252 B9R1.45 CC1CC1C(=O)N(C)C 527a_100102631434_100000211227 [0,0,1,1,0,0|2,0,0]=4 1253 B9R1.81 C=CC(=O)N1CCC1C 240690a_100000755817_200121576911 [0,0,1,1,0,0|2,0,0]=4 1254 B9R1.101 C=CC(=O)N(C)C1CC1 1626a_100000226674_100000185746 [0,0,1,1,0,0|2,0,0]=4 1255 B9R1.101 C=CC(=O)N(C)C1CC1 240690a_100000226674_200121576911 [0,0,1,1,0,0|2,0,0]=4 1256 B9R1.101 CCC(C)C(=O)C1CC1 1458a_100000210395_100000758301 [0,0,1,1,0,0|1,0,1]=4 1257 B9R1.101 CCC(C)C(=O)C1CO1 1458a_100000701028_100000758301 [0,0,1,1,0,0|0,0,2]=4 1258 B9R1.110 C=C(C)C(=O)C1CCC1 1458a_100000185857_100000749161 [0,0,1,1,0,0|1,0,0]=3 1259 B9R1.110 C=C(C)C(=O)C1COC1 1458a_100000185857_100000687716 [0,0,1,1,0,0|2,0,0]=4 1260 B9R1.110 C=C(C)C(=O)N1CCC1 11a_100000754969_100000185857 [0,0,1,1,0,0|2,0,0]=4 1261 B9R1.110 CC(=O)N(C)C1CCC1 11a_100000758072_100015343762 [0,0,1,1,0,0|2,0,0]=4 1262 B9R1.110 CC(=O)N(C)C1CCC1 1626a_100000758072_100015343762 [0,0,1,1,0,0|2,0,0]=4 1263 B9R1.110 CC(=O)N(C)C1CCC1 240690a_100000758072_100015343762 [0,0,1,1,0,0|2,0,0]=4 1264 B9R1.110 CC(=O)N(C)C1CCC1 527a_100000758072_100103153847 [0,0,1,1,0,0|2,0,0]=4 1265 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000209988_100000210206 [0,0,1,1,0,0|1,0,1]=4 1266 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000210198_100000749161 [0,0,1,1,0,0|1,0,1]=4 1267 B9R1.110 CC(F)C(=O)C1CCC1 1458a_100000062450_100000749161 [0,0,1,1,0,0|1,0,1]=4 1268 B9R1.110 CN(C)C(=O)C1CCC1 11a_100102631434_100000209988 [0,0,1,1,0,0|2,0,0]=4 1269 B9R1.110 CN(C)C(=O)C1CCC1 1626a_100102631434_100000209988 [0,0,1,1,0,0|2,0,0]=4 1270 B9R1.110 CN(C)C(=O)C1CCC1 240690a_100102631434_100000209988 [0,0,1,1,0,0|2,0,0]=4 1271 B9R1.110 CN(C)C(=O)C1CCC1 527a_100102631434_100000209988 [0,0,1,1,0,0|2,0,0]=4 1272 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,0,1,1,0,0|0,0,2]=4 1273 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,0,1,1,0,0|0,0,2]=4 1274 B9R1.110 NC(=O)C(=O)N1CCC1 240690a_100000754969_100011215815 [0,0,1,1,0,0|2,0,0]=4 1275 B9R1.111 CC(C)C(=O)C1(CC1)C 1458a_100000756474_100000210206 [0,0,1,1,0,0|1,0,1]=4 1276 B9R1.111 CN(C)C(=O)C1(CC1)C 11a_100102631434_100000756474 [0,0,1,1,0,0|2,0,0]=4 1277 B9R1.111 CN(C)C(=O)C1(CC1)C 1626a_100102631434_100000756474 [0,0,1,1,0,0|2,0,0]=4 1278 B9R1.111 CN(C)C(=O)C1(CC1)C 240690a_100102631434_100000756474 [0,0,1,1,0,0|2,0,0]=4 1279 B9R1.111 CN(C)C(=O)C1(CC1)C 527a_100102631434_100000756474 [0,0,1,1,0,0|2,0,0]=4 1280 B9R1.185 CC1(C[C@@H]1C(=O)CF)C 1458a_100000692687_100015361967 [0,0,1,1,0,0|1,0,1]=4 1281 B9R1.185 CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210202 [0,0,1,1,0,0|1,0,1]=4 1282 B9R1.185 CNC(=O)[C@H]1CC1(C)C 11a_106832991635_100000692687 [0,0,1,1,0,0|2,0,0]=4 1283 B9R1.185 CNC(=O)[C@H]1CC1(C)C 1626a_100102657272_100000692687 [0,0,1,1,0,0|2,0,0]=4 1284 B9R1.185 CNC(=O)[C@H]1CC1(C)C 240690a_100102657272_100000692687 [0,0,1,1,0,0|2,0,0]=4 1285 B9R1.185 CNC(=O)[C@H]1CC1(C)C 527a_100102657272_100000692687 [0,0,1,1,0,0|2,0,0]=4 1286 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,0,1,1,0,0|1,0,0]=3 1287 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,0,1,1,0,0|2,0,0]=4 1288 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,0,1,1,0,0|2,0,0]=4 1289 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,0,1,1,0,0|1,0,1]=4 1290 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,0,1,1,0,0|1,0,1]=4 1291 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,0,1,1,0,0|0,1,1]=4 1292 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,0,1,1,0,0|2,0,0]=4 1293 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,0,1,1,0,0|2,0,0]=4 1294 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,0,1,1,0,0|0,0,2]=4 1295 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,0,1,1,0,0|2,0,0]=4 1296 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,0,1,1,0,0|2,0,0]=4 1297 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,0,1,1,0,0|2,0,0]=4 1298 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,0,1,1,0,0|2,0,0]=4 1299 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [0,0,1,1,0,0|2,0,0]=4 1300 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [0,0,1,1,0,0|2,0,0]=4 1301 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,0,1,1,0,0|1,0,1]=4 1302 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,0,1,1,0,0|1,0,1]=4 1303 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,0,1,1,0,0|0,0,2]=4 1304 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [0,0,1,1,0,0|2,0,0]=4 1305 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [0,0,1,1,0,0|2,0,0]=4 1306 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [0,0,1,1,0,0|2,0,0]=4 1307 B9R1.74 CCCC(=O)C1(CC1)C 1458a_100000756474_100000210303 [0,0,1,1,0,0|1,0,1]=4 1308 B9R1.74 CCCC(=O)C1(CC1)F 1458a_100000055089_100000210303 [0,0,1,1,0,0|1,0,1]=4 1309 B9R1.74 CCCC(=O)C1(CC1)O 1458a_100000241761_100000210303 [0,0,1,1,0,0|0,0,2]=4 1310 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [0,0,1,1,0,0|1,0,1]=4 1311 B9R1.82 CCC(=O)N1CC(C1)C 11a_100000702820_100000210414 [0,0,1,1,0,0|2,0,0]=4 1312 B9R1.82 CCC(=O)N1CC(C1)C 240690a_100000702820_100000210414 [0,0,1,1,0,0|2,0,0]=4 1313 B9R1.82 CCC(=O)N1CC(C1)C 527a_100000702820_100000210414 [0,0,1,1,0,0|2,0,0]=4 1314 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,0,1,1,0,0|1,0,1]=4 1315 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,0,1,1,0,0|1,0,1]=4 1316 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [0,0,1,1,0,0|1,0,1]=4 1317 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [0,0,1,1,0,0|0,0,2]=4 1318 B9R1.79 C#CC(=O)CC1CCC1 1458a_100000211873_100000763275 [0,0,1,1,0,0|1,0,1]=4 1319 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [0,0,1,1,0,0|1,0,0]=3 1320 B9R1.79 C=CC(=O)CC1CCO1 1458a_100000185746_100000103362 [0,0,1,1,0,0|2,0,0]=4 1321 B9R1.79 C=CC(=O)CC1COC1 1458a_100000185746_100010264016 [0,0,1,1,0,0|2,0,0]=4 1322 B9R1.79 C=CC(=O)NC1CCC1 1626a_100000749019_100000185746 [0,0,1,1,0,0|2,0,0]=4 1323 B9R1.79 C=CC(=O)NC1CCC1 240690a_100000749019_200121576911 [0,0,1,1,0,0|2,0,0]=4 1324 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,0,1,1,0,0|1,0,1]=4 1325 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,0,1,1,0,0|1,0,1]=4 1326 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,0,1,1,0,0|2,0,0]=4 1327 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,0,1,1,0,0|2,0,0]=4 1328 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,0,1,1,0,0|2,0,0]=4 1329 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,0,1,1,0,0|2,0,0]=4 1330 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [0,0,1,1,0,0|1,0,1]=4 1331 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,0,1,1,0,0|0,0,2]=4 1332 B9R1.113 C=CC(=O)CC1(CO1)C 1458a_100000185746_100000760498 [0,0,1,1,0,0|2,0,0]=4 1333 B9R1.113 C=CC(=O)NC1(CC1)C 1626a_100000757604_100000185746 [0,0,1,1,0,0|2,0,0]=4 1334 B9R1.113 C=CC(=O)NC1(CC1)C 240690a_100000757604_200121576911 [0,0,1,1,0,0|2,0,0]=4 1335 B9R1.113 CC1(CC1)CC(=O)CF 1458a_100000112800_100015361967 [0,0,1,1,0,0|1,0,1]=4 1336 B9R1.113 CCC(=O)CC1(CC1)C 1458a_100000112800_100000210202 [0,0,1,1,0,0|1,0,1]=4 1337 B9R1.113 CNC(=O)CC1(CC1)C 11a_106832991635_100000112800 [0,0,1,1,0,0|2,0,0]=4 1338 B9R1.113 CNC(=O)CC1(CC1)C 1626a_100102657272_100000112800 [0,0,1,1,0,0|2,0,0]=4 1339 B9R1.113 CNC(=O)CC1(CC1)C 240690a_100102657272_100000112800 [0,0,1,1,0,0|2,0,0]=4 1340 B9R1.113 CNC(=O)CC1(CC1)C 527a_100102657272_100000112800 [0,0,1,1,0,0|2,0,0]=4 1341 B11R2.28 CSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200000210301_200015607011 [0,1,0,1,0,0|1,0,1]=4 1342 B11R2.28 CSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_200000210301 [0,1,0,1,0,0|1,0,1]=4 1343 B11R2.28 [13CH3]SC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_200025704644 [0,1,0,1,0,0|1,0,1]=4 1344 B11R2.28 [13CH3]SC1C(=O)[C@H]2CC[C@@H]1C2 62a_200025704644_200015607011 [0,1,0,1,0,0|1,0,1]=4 1345 B9R0.24 C=CC(=O)NCC(C)CC 1626a_100020588543_100000185746 [0,0,1,0,0,1|1,0,0]=3 1346 B9R0.24 C=CC(=O)NCC(C)CC 240690a_100020588543_200121576911 [0,0,1,0,0,1|1,0,0]=3 1347 B9R0.24 C=CC(=O)NCC(C)CO 240690a_100000744482_200121576911 [0,0,1,0,0,1|2,0,0]=4 1348 B9R0.24 C=CC(=O)NCC(O)CC 240690a_100011218483_200121576911 [0,0,1,0,0,1|2,0,0]=4 1349 B9R0.24 C=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000185746 [0,0,1,0,0,1|2,0,0]=4 1350 B9R0.24 C=CC(=O)NC[C@@H](C)OC 240690a_100020591295_200121576911 [0,0,1,0,0,1|2,0,0]=4 1351 B9R0.24 C=CC(=O)NNC(C)CC 22a_100000718999_100000185746 [0,0,1,0,0,1|2,0,0]=4 1352 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,0,1,0,0,1|1,0,1]=4 1353 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,0,1,0,0,1|1,0,1]=4 1354 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,0,1,0,0,1|1,0,1]=4 1355 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,0,1,0,0,1|1,0,1]=4 1356 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,0,1,0,0,1|1,0,1]=4 1357 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,0,1,0,0,1|1,0,1]=4 1358 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,0,1,0,0,1|1,0,1]=4 1359 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,0,1,0,0,1|1,0,1]=4 1360 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,0,1,0,0,1|1,0,1]=4 1361 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,0,1,0,0,1|1,0,1]=4 1362 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,0,1,0,0,1|2,0,0]=4 1363 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,0,1,0,0,1|2,0,0]=4 1364 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,0,1,0,0,1|2,0,0]=4 1365 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,0,1,0,0,1|2,0,0]=4 1366 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,0,1,0,0,1|0,0,2]=4 1367 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,0,1,0,0,1|0,0,2]=4 1368 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,0,1,0,0,1|2,0,0]=4 1369 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,0,1,0,0,1|2,0,0]=4 1370 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,0,1,0,0,1|2,0,0]=4 1371 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,0,1,0,0,1|2,0,0]=4 1372 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,0,1,0,0,1|2,0,0]=4 1373 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,0,1,0,0,1|2,0,0]=4 1374 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [0,0,1,0,0,1|2,0,0]=4 1375 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [0,0,1,0,0,1|2,0,0]=4 1376 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,0,1,0,0,1|2,0,0]=4 1377 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [0,0,1,0,0,1|2,0,0]=4 1378 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [0,0,1,0,0,1|2,0,0]=4 1379 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,0,1,0,0,1|2,0,0]=4 1380 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [0,0,1,0,0,1|2,0,0]=4 1381 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [0,0,1,0,0,1|2,0,0]=4 1382 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,0,1,0,0,1|2,0,0]=4 1383 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,0,1,0,0,1|2,0,0]=4