0 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,0,0,0,0,0|0,0,2]=2 25 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,0,0,0,0,0|1,0,1]=2 30 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,0,0,0,0,0|1,0,1]=2 31 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,0,0,0,0|1,0,2]=3 35 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,0,0,0,0|1,0,2]=3 36 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,0,0,0,0,0|4,0,0]=4 41 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,0,0,0,0,0|4,0,0]=4 42 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,0,0,0,0,0|2,0,0]=2 43 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,0,0,0,0,0|2,0,0]=2 44 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,0,0,0,0,0|3,0,1]=4 56 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,0,0,0,0,0|1,0,2]=3 58 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,0,0,0,0,0|4,0,0]=4 59 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,0,0,0,0,0|2,0,1]=3 60 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,0,0,0,0,0|2,0,1]=3 61 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,0,0,0,0,0|2,0,1]=3 62 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,0,0,0,0,0|3,0,1]=4 63 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,0,0,0,0,0|3,0,1]=4 64 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,0,0,0,0,0|3,0,1]=4 65 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,0,0,0,0,0|3,0,1]=4 68 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,0,0,0,0,0|2,0,2]=4 71 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,0,0,0,0,0|2,0,1]=3 72 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,0,0,0,0,0|3,0,1]=4 73 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,0,0,0,0,0|3,0,1]=4 77 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,0,0,0,0,0|3,0,1]=4 79 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,0,0,0,0,0|2,0,2]=4 81 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,0,0,0,0,0|3,0,1]=4 82 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,0,0,0,0|3,0,1]=4 84 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,0,0,0,0|3,0,1]=4 85 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,0,0,0,0|3,0,1]=4 86 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,0,0,0,0,0|3,0,1]=4 87 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,0,0,0,0,0|3,0,1]=4 88 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,0,0,0,0|3,0,1]=4 89 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,0,0,0,0,0|3,0,1]=4 90 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,0,0,0,0,0|3,0,1]=4 91 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,0,0,0,0,0|2,0,2]=4 92 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,0,0,0,0,0|2,0,2]=4 93 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,0,0,0,0,0|3,0,1]=4 94 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,0,0,0,0,0|3,0,1]=4 95 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,0,0,0,0,0|2,0,1]=3 96 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,0,0,0,0,0|3,0,1]=4 97 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,0,0,0,0,0|3,0,1]=4 98 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,0,0,0,0,0|2,0,1]=3 99 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,0,0,0,0,0|2,0,1]=3 100 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,0,0,0,0,0|2,0,2]=4 101 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,0,0,0,0,0|1,0,2]=3 102 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,0,0,0,0,0|2,0,2]=4 103 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,0,0,0,0,0|3,0,1]=4 104 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,0,0,0,0,0|3,0,1]=4 105 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,0,0,0,0,0|2,0,2]=4 106 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,0,0,0,0,0|2,0,2]=4 107 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|1,0,2]=4 108 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|1,0,2]=4 109 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|2,0,1]=4 115 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|2,0,1]=4 116 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|1,0,1]=3 117 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|1,0,1]=3 118 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|1,0,1]=3 119 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|1,0,1]=3 120 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|1,0,1]=3 121 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|2,0,0]=3 122 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|2,0,0]=3 123 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|2,0,0]=3 124 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|1,0,1]=3 129 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|1,0,2]=4 130 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|3,0,0]=4 131 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|2,0,1]=4 133 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|1,0,2]=4 136 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,0,1]=4 139 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|1,0,2]=4 141 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|1,0,2]=4 142 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|2,0,1]=4 143 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|2,0,1]=4 146 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|1,0,1]=3 148 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,0,1]=4 150 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|1,0,2]=4 151 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|1,0,2]=4 152 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,0,0,0,0|1,0,1]=3 153 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|1,0,0]=2 155 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,0,0,0,0|2,0,0]=3 156 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,0,0,0,0|2,0,0]=3 157 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,0,0,0,0|2,0,0]=3 158 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,0,0,0,0|1,0,1]=3 159 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,0,0,0,0|1,0,1]=3 160 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|0,0,1]=2 161 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,0,0,0,0|2,0,0]=3 162 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,0,0,0,0|2,0,0]=3 163 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,0,0,0,0|2,0,0]=3 165 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,0,0,0,0|1,0,1]=3 166 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,0,0,0,0|1,0,1]=3 167 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,0,0,0,0|3,0,0]=4 168 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,0,0,0,0|3,0,0]=4 169 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,0,0,0,0|3,0,0]=4 170 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,0,0,0,0,0|1,0,1]=3 171 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,0,0,0,0,0|2,0,0]=3 172 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,0,0,0,0,0|2,0,0]=3 173 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,0,0,0,0|0,0,2]=3 177 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,0,0,0,0|3,0,0]=4 178 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,0,0,0,0|3,0,0]=4 179 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,0,0,0,0|3,0,0]=4 180 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,0,0,0,0|3,0,0]=4 181 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,0,0,0,0|1,0,1]=3 182 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,0,0,0,0|1,0,1]=3 183 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,0,0,0,0|2,0,1]=4 185 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,0,0,0,0|1,0,1]=3 186 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,0,0,0,0|1,0,1]=3 187 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,0,0,0,0|0,0,2]=3 188 B7R0.5 C#CCC(=O)C(=C)C 1458a_100000185857_100000184674 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.5 C#CCC(=O)C(O)O 1458a_100000233687_100000184674 [0,1,0,0,0,0|0,0,3]=4 190 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [0,1,0,0,0,0|1,0,2]=4 191 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [0,1,0,0,0,0|1,0,2]=4 192 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,1,0,0,0,0|2,0,0]=3 193 B7R0.5 C=C(C)C(=O)CC#N 1458a_100000185857_100011214920 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,0,0,0,0|2,0,0]=3 195 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,1,0,0,0,0|2,0,0]=3 196 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,1,0,0,0,0|2,0,0]=3 197 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,1,0,0,0,0|3,0,0]=4 199 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,1,0,0,0,0|2,0,0]=3 200 B7R0.5 C=C(Cl)C(=O)NNC 22a_100016993582_100000039160 [0,1,0,0,0,0|3,0,0]=4 201 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,1,0,0,0,0|2,0,0]=3 202 B7R0.5 C=C(F)C(=O)NNC 22a_100016993582_100000036797 [0,1,0,0,0,0|3,0,0]=4 203 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.5 C=CCC(=O)C(O)O 1458a_100000233687_100000210623 [0,1,0,0,0,0|0,0,3]=4 205 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,1,0,0,0,0|1,0,2]=4 206 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,1,0,0,0,0|1,0,2]=4 207 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|1,0,0]=2 208 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|1,0,0]=2 209 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,1,0,0,0,0|3,0,0]=4 213 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,1,0,0,0,0|3,0,0]=4 214 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,1,0,0,0,0|2,0,1]=4 216 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,1,0,0,0,0|2,0,1]=4 217 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,1,0,0,0,0|2,0,1]=4 218 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,1,0,0,0,0|1,0,1]=3 220 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,1,0,0,0,0|2,0,1]=4 221 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,1,0,0,0,0|2,0,1]=4 222 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|2,0,0]=3 223 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|2,0,0]=3 224 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,0,0,0,0|2,0,1]=4 226 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,1,0,0,0,0|2,0,1]=4 227 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,1,0,0,0,0|0,0,2]=3 228 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,1,0,0,0,0|3,0,0]=4 229 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,1,0,0,0,0|3,0,0]=4 230 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,1,0,0,0,0|3,0,0]=4 231 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,1,0,0,0,0|3,0,0]=4 232 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,0,0,0,0|1,0,1]=3 233 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,0,0,0,0|1,0,1]=3 234 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,1,0,0,0,0|3,0,0]=4 238 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,1,0,0,0,0|3,0,0]=4 239 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,1,0,0,0,0|3,0,0]=4 240 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,1,0,0,0,0|3,0,0]=4 241 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,0,0,0,0|1,0,2]=4 242 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,0,0,0,0|1,0,2]=4 243 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|1,0,0]=2 244 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,1,0,0,0,0|1,0,0]=2 245 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|1,0,0]=2 246 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,0,0,0,0|2,0,1]=4 249 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,1,0,0,0,0|2,0,1]=4 253 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,1,0,0,0,0|2,0,1]=4 254 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,1,0,0,0,0|2,0,1]=4 255 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,1,0,0,0,0|0,0,2]=3 256 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,1,0,0,0,0|3,0,0]=4 257 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,0,0,0,0|1,0,1]=3 258 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,0,0,0,0|1,0,1]=3 259 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,1,0,0,0,0|2,0,1]=4 260 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,1,0,0,0,0|2,0,1]=4 262 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,1,0,0,0,0|1,0,1]=3 263 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,1,0,0,0,0|2,0,1]=4 268 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,0,0,0,0|2,0,1]=4 269 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,1,0,0,0,0|2,0,1]=4 270 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,1,0,0,0,0|1,0,2]=4 271 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,1,0,0,0,0|1,0,2]=4 272 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,1,0,0,0,0|2,0,1]=4 274 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,1,0,0,0,0|2,0,1]=4 275 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,1,0,0,0,0|2,0,1]=4 276 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,1,0,0,0,0|2,0,1]=4 277 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,1,0,0,0,0|2,0,1]=4 278 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,1,0,0,0,0|2,0,1]=4 279 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,1,0,0,0,0|2,0,1]=4 280 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,1,0,0,0,0|2,0,1]=4 281 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,1,0,0,0,0|2,0,1]=4 282 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,1,0,0,0,0|1,0,2]=4 283 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,1,0,0,0,0|1,0,2]=4 284 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,1,0,0,0,0|3,0,0]=4 285 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,1,0,0,0,0|3,0,0]=4 286 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,1,0,0,0,0|3,0,0]=4 287 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,1,0,0,0,0|3,0,0]=4 288 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|1,0,0]=2 289 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,1,0,0,0,0|2,0,1]=4 290 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,1,0,0,0,0|2,0,1]=4 291 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,1,0,0,0,0|2,0,1]=4 292 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,1,0,0,0,0|3,0,0]=4 293 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,1,0,0,0,0|3,0,0]=4 294 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,1,0,0,0,0|3,0,0]=4 295 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,1,0,0,0,0|3,0,0]=4 296 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,1,0,0,0,0|1,0,1]=3 297 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,1,0,0,0,0|1,0,1]=3 298 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,1,0,0,0,0|2,0,0]=3 299 B7R0.5 CNNC(=O)C(O)O 22a_100016993582_100000233687 [0,1,0,0,0,0|1,0,2]=4 300 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,1,0,0,0,0|2,0,1]=4 301 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,1,0,0,0,0|2,0,1]=4 302 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,1,0,0,0,0|3,0,0]=4 303 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,1,0,0,0,0|3,0,0]=4 304 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|1,0,0]=2 305 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,0,0,0,0|2,0,1]=4 306 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,0,0,0,0|2,0,1]=4 307 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,1,0,0,0,0|3,0,0]=4 308 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,1,0,0,0,0|3,0,0]=4 309 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,1,0,0,0,0|3,0,0]=4 310 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,1,0,0,0,0|3,0,0]=4 311 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,1,0,0,0,0|3,0,0]=4 312 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,0,0,0,0|2,0,1]=4 313 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,0,0,0,0|2,0,1]=4 314 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,0,0,0,0|2,0,1]=4 315 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,0,0,0,0|2,0,1]=4 316 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,0,0,0,0|2,0,1]=4 317 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|2,0,1]=4 318 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|1,0,0]=2 319 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|1,0,0]=2 320 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,1,0,0,0,0|2,0,1]=4 321 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,1,0,0,0,0|2,0,1]=4 322 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,1,0,0,0,0|2,0,1]=4 323 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,1,0,0,0,0|3,0,0]=4 324 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,1,0,0,0,0|3,0,0]=4 325 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,1,0,0,0,0|3,0,0]=4 326 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,1,0,0,0,0|3,0,0]=4 327 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,1,0,0,0,0|3,0,0]=4 328 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,1,0,0,0,0|3,0,0]=4 329 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [0,1,0,0,0,0|1,0,2]=4 332 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,1,0,0,0,0|1,0,1]=3 333 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,1,0,0,0,0|1,0,1]=3 334 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,1,0,0,0,0|2,0,1]=4 335 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [0,1,0,0,0,0|1,0,2]=4 336 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,1,0,0,0,0|1,0,1]=3 337 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,1,0,0,0,0|1,0,1]=3 338 B7R0.5 N#CCC(=O)C(O)O 1458a_100000233687_100011214920 [0,1,0,0,0,0|0,0,3]=4 339 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [0,1,0,0,0,0|0,0,2]=3 340 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,1,0,0,0,0|0,0,2]=3 341 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,1,0,0,0,0|1,0,1]=3 342 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|2,0,1]=4 343 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,1,0,0,0,0|2,0,1]=4 344 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,1,0,0,0,0|2,0,1]=4 345 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|2,0,0]=3 346 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,0,0,0,0|2,0,1]=4 348 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,0,0,0,0|2,0,1]=4 349 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,0,0,0,0|2,0,1]=4 350 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,1,0,0,0,0|3,0,0]=4 351 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,1,0,0,0,0|3,0,0]=4 352 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,0,0,0,0|2,0,1]=4 353 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,0,0,0,0|1,0,0]=2 354 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,1,0,0,0,0|2,0,1]=4 355 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,1,0,0,0,0|2,0,1]=4 356 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|2,0,1]=4 357 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|2,0,1]=4 358 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,0,0,0,0|2,0,1]=4 359 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,0,0,0,0|2,0,1]=4 360 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|1,0,1]=3 361 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,0,0,0,0|1,1,1]=4 362 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,0,0,0,0|1,1,1]=4 363 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,0,0,0,0|1,1,1]=4 364 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,0,0,0,0|1,1,1]=4 365 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,0,0,0,0|1,1,1]=4 366 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,0,0,0,0|1,0,1]=3 367 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,0,0,0,0|0,0,2]=3 368 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,0,0,0,0|3,0,0]=4 369 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,0,0,0,0|3,0,0]=4 370 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,0,0,0,0|3,0,0]=4 371 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,0,0,0,0|3,0,0]=4 372 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,0,0,0,0|2,0,1]=4 373 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|1,0,1]=3 374 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,0,0,0,0|2,0,1]=4 375 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,0,0,0,0|2,0,1]=4 376 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,0,0,0,0|2,0,1]=4 377 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,0,0,0,0|2,0,1]=4 378 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,0,0,0,0|1,0,2]=4 379 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,0,0,0,0|1,0,2]=4 380 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,0,0,0,0|2,0,0]=3 381 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,0,0,0,0|2,0,0]=3 382 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,1,0,0,0,0|3,0,0]=4 383 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,1,0,0,0,0|3,0,0]=4 384 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,1,0,0,0,0|2,0,0]=3 385 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,1,0,0,0,0|2,0,0]=3 386 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,1,0,0,0,0|2,0,0]=3 387 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,1,0,0,0,0|2,0,0]=3 388 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,1,0,0,0,0|1,0,0]=2 389 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,1,0,0,0,0|1,0,0]=2 390 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,1,0,0,0,0|1,0,0]=2 391 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,1,0,0,0,0|1,0,0]=2 392 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,1,0,0,0,0|2,0,1]=4 393 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,1,0,0,0,0|2,0,1]=4 394 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,1,0,0,0,0|2,0,1]=4 395 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,1,0,0,0,0|2,0,1]=4 396 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,1,0,0,0,0|2,0,1]=4 397 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,1,0,0,0,0|2,0,1]=4 398 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,0,0,0,0|1,0,2]=4 399 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,0,0,0,0|2,0,1]=4 401 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,0,0,0,0|2,0,1]=4 402 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,1,0,0,0,0|2,0,1]=4 403 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,1,0,0,0,0|2,0,1]=4 404 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,1,0,0,0,0|2,0,1]=4 405 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,0,0,0,0|2,0,1]=4 406 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,0,0,0,0|2,0,1]=4 407 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,0,0,0,0|2,0,1]=4 408 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,0,0,0,0|2,0,1]=4 409 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,1,0,0,0,0|2,0,1]=4 410 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,1,0,0,0,0|1,0,2]=4 411 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,1,0,0,0,0|2,0,1]=4 412 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,1,0,0,0,0|2,0,1]=4 413 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,1,0,0,0,0|1,0,2]=4 414 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,1,0,0,0,0|1,0,2]=4 415 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,1,0,0,0,0|2,0,1]=4 416 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.14 CC(C)(O)C(=O)CF 1458a_100000242741_100015361967 [0,1,0,0,0,0|2,0,1]=4 418 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [0,1,0,0,0,0|2,0,1]=4 419 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [0,1,0,0,0,0|1,0,1]=3 421 B7R0.14 CCC(=O)C(F)(F)F 1458a_100000210414_200000243211 [0,1,0,0,0,0|2,0,1]=4 422 B7R0.14 CCC(=O)C(F)(F)F 1458a_100015355933_100000210202 [0,1,0,0,0,0|2,0,1]=4 423 B7R0.14 CNC(=O)C(C)(C)O 240690a_100102657272_100000242741 [0,1,0,0,0,0|2,0,1]=4 424 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,1,0,0,0,0|2,0,1]=4 425 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,1,0,0,0,0|2,0,1]=4 426 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,1,0,0,0,0|2,0,1]=4 427 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,1,0,0,0,0|2,0,1]=4 428 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,1,0,0,0,0|2,0,1]=4 429 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,1,0,0,0,0|2,0,1]=4 430 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,1,0,0,0,0|2,0,1]=4 431 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,1,0,0,0,0|2,0,1]=4 432 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,1,0,0,0,0|2,0,1]=4 433 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,1,0,0,0,0|2,0,1]=4 434 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,1,0,0,0,0|2,0,1]=4 435 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,1,0,0,0,0|1,0,2]=4 437 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,1,0,0,0,0|1,0,2]=4 438 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,1,0,0,0,0|1,0,2]=4 439 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,1,0,0,0,0|1,1,1]=4 440 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,1,0,0,0,0|1,1,1]=4 441 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,1,0,0,0,0|1,1,1]=4 442 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,1,0,0,0,0|1,1,1]=4 443 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,1,0,0,0,0|3,0,0]=4 444 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,1,0,0,0,0|3,0,0]=4 445 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,1,0,0,0,0|3,0,0]=4 446 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,1,0,0,0,0|3,0,0]=4 447 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,0,0,0,0|1,0,1]=3 448 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,0,0,0,0|1,0,1]=3 449 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,0,0,0,0|1,0,2]=4 450 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,0,0,0,0|1,0,2]=4 451 B7R0.16 C=C(Br)C(=O)N(C)C 11a_100102631434_100009813364 [0,1,0,0,0,0|3,0,0]=4 452 B7R0.16 C=C(Br)C(=O)N(C)C 1626a_100102631434_100009813364 [0,1,0,0,0,0|3,0,0]=4 453 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,0,0,0,0|2,0,0]=3 454 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,1,0,0,0,0|3,0,0]=4 455 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,1,0,0,0,0|3,0,0]=4 456 B7R0.16 C=C(Cl)C(=O)N(C)C 11a_100102631434_100000039160 [0,1,0,0,0,0|3,0,0]=4 457 B7R0.16 C=C(Cl)C(=O)N(C)C 1626a_100102631434_100000039160 [0,1,0,0,0,0|3,0,0]=4 458 B7R0.16 C=C(F)C(=O)N(C)C 11a_100102631434_100000036797 [0,1,0,0,0,0|3,0,0]=4 459 B7R0.16 C=C(F)C(=O)N(C)C 1626a_100102631434_100000036797 [0,1,0,0,0,0|3,0,0]=4 460 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,0,0,0,0|2,0,0]=3 461 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,0,0|2,0,1]=4 462 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,0,0,0,0|3,0,0]=4 463 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,0,0,0,0|3,0,0]=4 464 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,0,0,0,0|3,0,0]=4 465 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,0,0,0,0|3,0,0]=4 466 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,0,0|1,0,2]=4 467 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,0,0|2,0,1]=4 468 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,0,0|2,0,1]=4 469 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,1,0,0,0,0|2,0,1]=4 470 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,1,0,0,0,0|2,0,1]=4 471 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,1,0,0,0,0|0,0,2]=3 472 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,1,0,0,0,0|3,0,0]=4 473 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,1,0,0,0,0|3,0,0]=4 474 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,1,0,0,0,0|3,0,0]=4 475 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,1,0,0,0,0|3,0,0]=4 476 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,1,0,0,0,0|1,0,1]=3 477 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,1,0,0,0,0|1,0,1]=3 478 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,0,0|2,0,1]=4 479 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,0,0|1,0,2]=4 480 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [0,1,0,0,0,0|3,0,0]=4 481 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [0,1,0,0,0,0|3,0,0]=4 482 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [0,1,0,0,0,0|3,0,0]=4 483 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [0,1,0,0,0,0|3,0,0]=4 484 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,1,0,0,0,0|2,0,0]=3 485 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,0,0,0,0|2,0,0]=3 486 B7R0.16 CN(C)C(=O)C(O)O 240690a_100102631434_100000233687 [0,1,0,0,0,0|1,0,2]=4 487 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,1,0,0,0,0|2,0,1]=4 489 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,1,0,0,0,0|2,0,1]=4 490 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,0,1,0,0|2,0,1]=4 491 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,0,1,0,0|2,0,1]=4 492 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,1,0,0|2,0,1]=4 493 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,1,0,0|2,0,1]=4 494 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,1,0,0|1,0,2]=4 495 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,0,1,0,0|3,0,0]=4 496 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,0,1,0,0|3,0,0]=4 497 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,0,1,0,0|3,0,0]=4 498 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,1,0,0|2,0,1]=4 499 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,1,0,0|1,0,2]=4 500 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,0,0,1,0,0|2,0,1]=4 501 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,0,0,1,0,0|2,0,1]=4 502 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,0,0,1,0,0|1,0,2]=4 503 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,0,0,1,0,0|2,0,1]=4 504 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,0,0,1,0,0|2,0,1]=4 505 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,0,0,1,0,0|1,0,2]=4 506 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,0,1,0,0|2,0,1]=4 507 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,0,1,0,0|1,0,1]=3 508 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,0,0,1,0,0|2,0,1]=4 509 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,0,0,1,0,0|2,0,1]=4 510 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,0,0,1,0,0|2,0,1]=4 511 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,0,0,1,0,0|2,0,1]=4 512 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,0,0,1,0,0|2,0,1]=4 513 B7R0.2 C#CC(=O)CC(=O)N 1458a_100000211873_100000187820 [0,0,0,0,0,1|1,0,2]=4 514 B7R0.2 C#CC(=O)CC(=O)[O-] 1458a_100000211873_100020667443 [0,0,0,0,0,1|0,0,3]=4 515 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,0,0,0,0,1|2,0,0]=3 516 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,0,0,0,0,1|3,0,0]=4 517 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,0,0,0,0,1|2,0,0]=3 518 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,0,0,0,0,1|3,0,0]=4 519 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,0,0,0,0,1|1,0,2]=4 520 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [0,0,0,0,0,1|0,0,3]=4 521 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,0,0,0,0,1|3,0,0]=4 522 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,0,0,0,0,1|3,0,0]=4 523 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [0,0,0,0,0,1|3,0,0]=4 524 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,0,0,0,0,1|2,0,1]=4 525 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,0,0,0,1|2,0,0]=3 526 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,0,0,0,1|2,0,0]=3 527 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,0,0,0,0,1|2,0,0]=3 528 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,0,0,0,0,1|2,0,0]=3 529 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,0,0,0,0,1|2,0,0]=3 530 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,0,0,0,0,1|2,0,0]=3 531 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,0,1|1,0,0]=2 532 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,0,0,0,1|1,0,0]=2 533 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,0,0,0,1|1,0,0]=2 534 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,0,0,0,1|0,0,1]=2 535 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,0,0,0,0,1|2,0,1]=4 536 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,0,0,0,0,1|2,0,1]=4 537 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,0,0,0,0,1|1,0,1]=3 538 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,0,0,0,0,1|2,0,1]=4 539 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,0,0,0,0,1|3,0,0]=4 540 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,0,0,0,0,1|3,0,0]=4 541 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,0,0,0,0,1|1,0,1]=3 542 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,0,0,0,0,1|1,0,1]=3 543 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,0,0,0,0,1|3,0,0]=4 544 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,0,0,0,0,1|2,0,1]=4 545 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,0,0,0,0,1|2,0,1]=4 546 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,0,0,0,0,1|2,0,1]=4 547 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,0,0,0,0,1|2,0,1]=4 548 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,0,0,0,0,1|2,0,1]=4 549 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,0,0,0,0,1|2,0,1]=4 550 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,0,0,0,0,1|2,0,1]=4 551 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,0,0,0,0,1|2,0,1]=4 552 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,0,0,0,0,1|2,0,1]=4 553 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,0,0,0,0,1|2,0,1]=4 554 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,0,0,0,0,1|2,0,1]=4 555 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,0,0,0,0,1|1,0,2]=4 556 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,0,0,0,0,1|1,0,2]=4 557 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,0,0,0,0,1|1,0,2]=4 558 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,0,0,0,0,1|3,0,0]=4 559 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,0,0,0,0,1|3,0,0]=4 560 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,0,0,0,0,1|3,0,0]=4 561 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,0,0,0,0,1|3,0,0]=4 562 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,0,0,0,0,1|2,0,0]=3 563 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,0,0,0,0,1|2,0,0]=3 564 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,0,0,0,0,1|3,0,0]=4 565 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,0,0,0,0,1|2,0,1]=4 566 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,0,0,0,0,1|2,0,0]=3 567 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,0,0,0,0,1|2,0,1]=4 568 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,0,0,0,0,1|3,0,0]=4 569 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,0,0,0,0,1|3,0,0]=4 570 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,0,0,0,0,1|3,0,0]=4 571 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,0,0,0,0,1|3,0,0]=4 572 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,0,0,0,0,1|3,0,0]=4 573 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,0,0,0,0,1|3,0,0]=4 574 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,0,0,0,0,1|3,0,0]=4 575 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,0,0,0,0,1|3,0,0]=4 576 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,0,0,0,0,1|3,0,0]=4 577 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,0,0,0,0,1|3,0,0]=4 578 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,0,0,0,0,1|3,0,0]=4 579 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,0,0,0,1|2,0,0]=3 580 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,0,0,0,0,1|2,0,0]=3 581 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,0,0,0,0,1|2,0,0]=3 582 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,0,0,0,0,1|2,0,1]=4 583 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,0,0,0,0,1|2,0,0]=3 584 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,0,0,0,0,1|2,0,0]=3 585 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,0,0,0,0,1|2,0,0]=3 586 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,0,0,0,0,1|2,0,1]=4 587 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,0,0,0,0,1|2,0,0]=3 588 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,0,0,0,0,1|2,0,0]=3 589 B7R0.2 O=C(C=C(Cl)Cl)CF 1458a_100000137448_100015361967 [0,0,0,0,0,1|3,0,0]=4 590 B7R0.2 O=C(CO)C[N+](=O)[O-] 1458a_100000210174_100000761209 [0,0,0,0,0,1|2,0,1]=4 591 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,0,0,0,0,1|1,0,1]=3 592 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [2,0,0,0,0,0|1,0,1]=4 593 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [2,0,0,0,0,0|1,0,1]=4 594 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|1,0,0]=3 595 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|1,0,0]=3 596 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,1]=4 597 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|0,0,1]=3 598 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,1]=3 599 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,1]=3 600 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,1]=3 601 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,1]=4 602 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,1]=4 603 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,1]=4 604 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,1]=4 605 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|0,0,1]=3 606 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 607 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,1]=4 608 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 609 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,1]=4 610 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,1]=4 611 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,1]=4 612 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,1]=4 613 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,1]=4 614 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,1,0,0,0,0|1,0,1]=4 615 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,1,0,0,0,0|1,0,1]=4 616 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,1,0,0,0,0|2,0,0]=4 617 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,1,0,0,0,0|1,0,1]=4 618 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,1,0,0,0,0|1,0,1]=4 619 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,1,0,0,0,0|1,0,1]=4 620 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,1,0,0,0,0|1,0,1]=4 621 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,1,0,0,0,0|1,0,1]=4 622 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|1,0,1]=4 623 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|1,0,1]=4 624 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,1,0,0,0,0|1,0,1]=4 625 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|0,0,1]=3 626 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,1,0,0,0,0|1,0,1]=4 627 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 628 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 629 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 630 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 631 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 632 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 633 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,0]=3 634 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,0]=3 635 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,1,0,0,0,0|2,0,0]=4 636 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,1,0,0,0,0|2,0,0]=4 637 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,1,0,0,0,0|2,0,0]=4 638 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,1,0,0,0,0|2,0,0]=4 639 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,1,0,0,0,0|2,0,0]=4 640 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,1,0,0,0,0|2,0,0]=4 641 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,1,0,0,0,0|1,0,1]=4 642 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,1,0,0,0,0|1,0,1]=4 643 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,1,0,0,0,0|1,0,1]=4 644 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,1,0,0,0,0|2,0,0]=4 645 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,1,0,0,0,0|1,0,1]=4 646 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,1,0,0,0,0|1,0,1]=4 647 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,1,0,0,0,0|1,0,1]=4 648 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,1,0,0,0,0|1,0,1]=4 649 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,1,0,0,0,0|1,0,1]=4 650 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,1,0,0,0,0|1,0,1]=4 651 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,1,0,0,0,0|1,0,1]=4 652 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|1,0,1]=4 653 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,1,0,0,0,0|1,0,1]=4 654 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,1,0,0,0,0|1,0,1]=4 655 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|1,0,1]=4 656 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,1,0,0,0,0|1,0,1]=4 657 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,1,0,0,0,0|1,0,1]=4 658 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|1,0,1]=4 659 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|1,0,1]=4 660 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|1,0,1]=4 661 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|1,0,1]=4 662 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 663 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 664 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 665 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|2,0,0]=4 666 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|1,0,1]=4 667 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|1,0,1]=4 668 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|1,0,1]=4 669 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|1,0,1]=4 670 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|1,0,1]=4 671 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,1,0,0,0,0|2,0,0]=4 672 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,1,0,0,0,0|2,0,0]=4 673 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,1,0,0,0,0|2,0,0]=4 674 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,1,0,0,0,0|2,0,0]=4 675 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|1,0,1]=4 676 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|1,0,1]=4 677 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 678 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 679 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|1,0,1]=4 680 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|1,0,1]=4 681 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 682 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 683 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 684 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|2,0,0]=4 685 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|2,0,0]=4 686 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|2,0,0]=4 687 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|2,0,0]=4 688 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|2,0,0]=4 689 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|1,0,1]=4 690 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|1,0,1]=4 691 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|1,0,1]=4 692 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|1,0,1]=4 693 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|1,0,1]=4 694 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|1,0,0]=3 695 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|1,0,0]=3 696 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|1,0,1]=4 697 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|1,0,1]=4 698 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|1,0,1]=4 699 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 700 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 701 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 702 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|1,0,1]=4 703 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|1,0,1]=4 704 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|1,0,1]=4 705 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|0,0,1]=3 706 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|2,0,0]=4 707 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|1,0,1]=4 708 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|1,0,1]=4 709 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|1,0,1]=4 710 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|1,0,1]=4 711 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|0,0,2]=4 712 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|1,0,1]=4 713 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|1,0,1]=4 714 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|1,0,1]=4 715 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|1,0,1]=4 716 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|0,0,2]=4 717 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|0,0,2]=4 718 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,1,0,0,0,0|2,0,0]=4 719 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,1,0,0,0,0|2,0,0]=4 720 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,1,0,0,0,0|2,0,0]=4 721 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,1,0,0,0,0|2,0,0]=4 722 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|1,0,1]=4 723 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|1,0,1]=4 724 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|1,0,1]=4 725 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|1,0,1]=4 726 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|2,0,0]=4 727 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,1,0,0,0,0|1,0,1]=4 728 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|1,0,1]=4 729 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|1,0,1]=4 730 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,1,0,0,0,0|2,0,0]=4 731 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,1,0,0,0,0|2,0,0]=4 732 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|1,0,1]=4 733 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|1,0,1]=4 734 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 735 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 736 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,1,0,0,0,0|1,0,1]=4 737 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,1,0,0,0,0|1,0,1]=4 738 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,1,0,0,0,0|1,0,1]=4 739 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|1,0,1]=4 740 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|2,0,0]=4 741 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,1,0,0,0,0|2,0,0]=4 742 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,1,0,0,0,0|2,0,0]=4 743 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|1,0,1]=4 744 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|1,0,1]=4 745 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|1,0,1]=4 746 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|1,0,1]=4 747 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|1,0,1]=4 748 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|1,0,1]=4 749 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|1,0,1]=4 750 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|2,0,0]=4 751 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|2,0,0]=4 752 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,1,0,0,0,0|1,0,1]=4 753 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,1,0,0,0,0|1,0,1]=4 754 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,1,0,0,0,0|1,0,1]=4 755 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,1,0,0,0,0|1,0,1]=4 756 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|1,0,1]=4 757 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|1,0,1]=4 758 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [1,1,0,0,0,0|1,0,1]=4 759 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [1,1,0,0,0,0|1,0,1]=4 760 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [1,1,0,0,0,0|1,0,1]=4 761 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [1,1,0,0,0,0|1,0,1]=4 762 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [1,1,0,0,0,0|1,0,1]=4 763 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [1,1,0,0,0,0|1,0,1]=4 764 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [1,1,0,0,0,0|1,0,1]=4 765 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [1,1,0,0,0,0|1,0,1]=4 766 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [1,1,0,0,0,0|1,0,1]=4 767 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,1,0,0,0,1|2,0,0]=4 768 B8R0.2 CC(C(=O)N)C(=O)CO 1458a_100000210174_100000702099 [0,1,0,0,0,1|2,0,0]=4 769 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,0,0,0,1|1,0,0]=3 770 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,0,0,0,1|1,0,0]=3 771 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,1,0,0,0,1|1,0,0]=3 772 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,1,0,0,0,1|1,0,0]=3 773 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [0,1,0,0,0,1|0,0,1]=3 774 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,0,0,0,1|2,0,0]=4 775 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,1,0,0,0,1|2,0,0]=4 776 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [0,1,0,0,0,1|2,0,0]=4 777 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,1,0,0,0,1|2,0,0]=4 778 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,1,0,0,0,1|2,0,0]=4 779 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,1,0,0,0,1|2,0,0]=4 780 B8R0.2 NC(=O)C(F)C(=O)CO 1458a_100000210174_100009813875 [0,1,0,0,0,1|2,0,0]=4 781 B8R0.2 O=C([O-])C(F)C(=O)CO 1458a_100000210174_100020610796 [0,1,0,0,0,1|1,0,1]=4 782 B8R0.5 C#CCC(=O)CC(=O)N 1458a_100011220946_100000187820 [0,1,0,0,0,1|1,0,1]=4 783 B8R0.5 C#CCC(=O)CC(=O)N 1458a_100134613110_100000184674 [0,1,0,0,0,1|1,0,1]=4 784 B8R0.5 C#CCC(=O)CC(=O)[O-] 1458a_100011220946_100020667443 [0,1,0,0,0,1|0,0,2]=4 785 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,1,0,0,0,1|2,0,0]=4 786 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,1,0,0,0,1|2,0,0]=4 787 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,1,0,0,0,1|2,0,0]=4 788 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,1,0,0,0,1|2,0,0]=4 789 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,1,0,0,0,1|2,0,0]=4 790 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,1,0,0,0,1|2,0,0]=4 791 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,1,0,0,0,1|2,0,0]=4 792 B8R0.5 C=C(F)CC(=O)CCO 1458a_100011216618_100009893438 [0,1,0,0,0,1|2,0,0]=4 793 B8R0.5 C=C(F)CC(=O)COC 1458a_100000210968_100009893438 [0,1,0,0,0,1|2,0,0]=4 794 B8R0.5 C=C(F)CC(=O)CSC 1458a_100000184570_100009893438 [0,1,0,0,0,1|2,0,0]=4 795 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100000210193_100000187820 [0,1,0,0,0,1|1,0,1]=4 796 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100134613110_100000210623 [0,1,0,0,0,1|1,0,1]=4 797 B8R0.5 C=CCC(=O)CC(=O)[O-] 1458a_100000210193_100020667443 [0,1,0,0,0,1|0,0,2]=4 798 B8R0.5 CC#CC(=O)CC(=O)N 1458a_100000763181_100000187820 [0,1,0,0,0,1|1,0,1]=4 799 B8R0.5 CC#CC(=O)CC(=O)[O-] 1458a_100000763181_100020667443 [0,1,0,0,0,1|0,0,2]=4 800 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,1,0,0,0,1|2,0,0]=4 801 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,1,0,0,0,1|2,0,0]=4 802 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,1,0,0,0,1|2,0,0]=4 803 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,1,0,0,0,1|2,0,0]=4 804 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,1,0,0,0,1|2,0,0]=4 805 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,1,0,0,0,1|2,0,0]=4 806 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,1,0,0,0,1|2,0,0]=4 807 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,1,0,0,0,1|1,0,0]=3 808 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,1,0,0,0,1|1,0,1]=4 809 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [0,1,0,0,0,1|1,0,1]=4 810 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [0,1,0,0,0,1|0,0,2]=4 811 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,0,0,0,1|2,0,0]=4 812 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,0,0,0,1|2,0,0]=4 813 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,1,0,0,0,1|2,0,0]=4 814 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,1,0,0,0,1|2,0,0]=4 815 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,1,0,0,0,1|2,0,0]=4 816 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [0,1,0,0,0,1|2,0,0]=4 817 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,0,0,0,1|1,0,0]=3 818 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,1,0,0,0,1|1,0,0]=3 819 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,1,0,0,0,1|1,0,0]=3 820 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,1,0,0,0,1|0,0,1]=3 821 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,1,0,0,0,1|1,0,1]=4 822 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,1,0,0,0,1|1,0,1]=4 823 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,1,0,0,0,1|1,0,1]=4 824 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,1,0,0,0,1|2,0,0]=4 825 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,1,0,0,0,1|2,0,0]=4 826 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,1,0,0,0,1|2,0,0]=4 827 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,1,0,0,0,1|2,0,0]=4 828 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,1,0,0,0,1|2,0,0]=4 829 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,1,0,0,0,1|2,0,0]=4 830 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,1,0,0,0,1|2,0,0]=4 831 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,1,0,0,0,1|2,0,0]=4 832 B8R0.5 CCNC(=O)C=C(Cl)Cl 240690a_100015525214_100000137448 [0,1,0,0,0,1|2,0,0]=4 833 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,1,0,0,0,1|1,0,0]=3 834 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,1,0,0,0,1|1,0,0]=3 835 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,1,0,0,0,1|1,0,0]=3 836 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,1,0,0,0,1|1,0,1]=4 837 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,1,0,0,0,1|1,0,0]=3 838 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,1,0,0,0,1|1,0,0]=3 839 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,1,0,0,0,1|1,0,0]=3 840 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,1,0,0,0,1|2,0,0]=4 841 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,1,0,0,0,1|2,0,0]=4 842 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,1,0,0,0,1|2,0,0]=4 843 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,1,0,0,0,1|1,0,0]=3 844 B8R0.5 CNCC(=O)NC(=O)N 2230a_106832991635_100000182717 [0,1,0,0,0,1|1,0,0]=3 845 B8R0.5 CNCC(=O)NC(=O)N 7a_106832991635_100000182717 [0,1,0,0,0,1|1,0,0]=3 846 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,0,0,0,1|0,0,2]=4 847 B8R0.5 CNNC(=O)CC(=O)N 22a_100016993582_100134613110 [0,1,0,0,0,1|2,0,0]=4 848 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,1,0,0,0,1|1,0,0]=3 849 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,1,0,0,0,1|0,0,1]=3 850 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,1,0,0,0,1|1,0,1]=4 851 B8R0.5 COCC(=O)C[N+](=O)[O-] 1458a_100000210968_100000761209 [0,1,0,0,0,1|1,0,1]=4 852 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,1,0,0,0,1|2,0,0]=4 853 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,1,0,0,0,1|1,0,0]=3 854 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,1,0,0,0,1|0,0,1]=3 855 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,1,0,0,0,1|1,0,1]=4 856 B8R0.5 CSCC(=O)C[N+](=O)[O-] 1458a_100000184570_100000761209 [0,1,0,0,0,1|1,0,1]=4 857 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,1,0,0,0,1|1,0,0]=3 858 B8R0.5 CSCC(=O)NC(=O)N 62a_200000210301_100000182717 [0,1,0,0,0,1|1,0,0]=3 859 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,1,0,0,0,1|2,0,0]=4 860 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,1,0,0,0,1|1,0,1]=4 861 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,1,0,0,0,1|1,0,1]=4 862 B8R0.5 N#CCC(=O)CC(=O)N 1458a_100051588842_100000187820 [0,1,0,0,0,1|1,0,1]=4 863 B8R0.5 N#CCC(=O)CC(=O)N 1458a_100134613110_100011214920 [0,1,0,0,0,1|1,0,1]=4 864 B8R0.5 N#CCC(=O)CC(=O)[O-] 1458a_100051588842_100020667443 [0,1,0,0,0,1|0,0,2]=4 865 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,1,0,0,0,1|1,0,0]=3 866 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,1,0,0,0,1|1,0,0]=3 867 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,1,0,0,0,1|1,0,0]=3 868 B8R0.5 O=C(C=C(Cl)Cl)CCF 1458a_100000137448_100011217306 [0,1,0,0,0,1|2,0,0]=4 869 B8R0.5 O=C(C=C(Cl)Cl)CCO 1458a_100000137448_100000211926 [0,1,0,0,0,1|2,0,0]=4 870 B8R0.5 O=C(CCO)C[N+](=O)[O-] 1458a_100011216618_100000761209 [0,1,0,0,0,1|1,0,1]=4 871 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,1,0,0,0,1|0,0,1]=3 872 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,1,0,0,0,1|2,0,0]=4 873 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,0,0,0,1|0,0,2]=4 874 B8R0.5 [13CH3]SCC(=O)NC(=O)N 62a_200025704644_100000182717 [0,1,0,0,0,1|1,0,0]=3 875 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,1,0,0,0,1|2,0,0]=4 876 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [0,1,0,0,0,1|2,0,0]=4 877 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,1,0,0,0,1|1,0,1]=4 878 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,1,0,0,0,1|1,0,1]=4 879 B8R0.19 C#CC(=O)CC(=O)CC 1458a_100000211873_100000747405 [0,1,0,0,0,1|1,0,0]=3 880 B8R0.19 C#CC(=O)CC(=O)NC 1458a_100000211873_100000183359 [0,1,0,0,0,1|2,0,0]=4 881 B8R0.19 C#CC(=O)CC(=O)OC 1458a_100000211873_100000747449 [0,1,0,0,0,1|0,0,2]=4 882 B8R0.19 C=C(C#N)CC(=O)CC 1458a_100000210414_100000694840 [0,1,0,0,0,1|2,0,0]=4 883 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,1,0,0,0,1|1,0,0]=3 884 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [0,1,0,0,0,1|2,0,0]=4 885 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [0,1,0,0,0,1|0,0,2]=4 886 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [0,1,0,0,0,1|2,0,0]=4 887 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,0,0,0,1|2,0,0]=4 888 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,0,0,0,1|2,0,0]=4 889 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,0,0,0,1|2,0,0]=4 890 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,1,0,0,0,1|2,0,0]=4 891 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,1,0,0,0,1|1,0,0]=3 892 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,0,0,0,1|0,0,0]=2 893 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,1,0,0,0,1|1,0,0]=3 894 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,0,0,0,1|0,0,0]=2 895 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,0,0,0,1|0,0,0]=2 896 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,0,0,0,1|1,0,1]=4 897 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,0,0,0,1|1,0,1]=4 898 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,0,0,0,1|1,0,1]=4 899 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,0,0,0,1|1,0,1]=4 900 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,0,0,0,1|1,0,1]=4 901 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,0,0,0,1|1,0,1]=4 902 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,0,0,0,1|1,0,1]=4 903 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,0,0,0,1|1,0,1]=4 904 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,0,0,0,1|0,0,2]=4 905 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,0,0,0,1|2,0,0]=4 906 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,0,0,0,1|2,0,0]=4 907 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,0,0,0,1|2,0,0]=4 908 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,0,0,0,1|1,0,1]=4 909 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,1,0,0,0,1|1,0,0]=3 910 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,1,0,0,0,1|1,0,0]=3 911 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,1,0,0,0,1|1,0,0]=3 912 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,1,0,0,0,1|1,0,0]=3 913 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [0,1,0,0,0,1|1,0,1]=4 914 B8R0.23 C=C(C)C(=O)CC(=O)[O-] 1458a_100000185857_100020667443 [0,1,0,0,0,1|0,0,2]=4 915 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,1,0,0,0,1|2,0,0]=4 916 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [0,1,0,0,0,1|2,0,0]=4 917 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [0,1,0,0,0,1|2,0,0]=4 918 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [0,1,0,0,0,1|2,0,0]=4 919 B8R0.23 C=C(F)CC(=O)C(C)C 1458a_100000210198_100009893438 [0,1,0,0,0,1|2,0,0]=4 920 B8R0.23 C=C(F)CC(=O)C(C)F 1458a_100000062450_100009893438 [0,1,0,0,0,1|2,0,0]=4 921 B8R0.23 C=C(F)CC(=O)[C@@H](C)O 1458a_100000717761_100009893438 [0,1,0,0,0,1|2,0,0]=4 922 B8R0.23 C=C(F)CC(=O)[C@H](C)O 1458a_217856618621_100009893438 [0,1,0,0,0,1|2,0,0]=4 923 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,1,0,0,0,1|2,0,0]=4 924 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [0,1,0,0,0,1|2,0,0]=4 925 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [0,1,0,0,0,1|2,0,0]=4 926 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,1,0,0,0,1|1,0,1]=4 927 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,0,1|1,0,0]=3 928 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,1,0,0,0,1|2,0,0]=4 929 B8R0.23 CC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000210206 [0,1,0,0,0,1|2,0,0]=4 930 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,1,0,0,0,1|1,0,0]=3 931 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,1,0,0,0,1|1,0,0]=3 932 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,1,0,0,0,1|0,0,1]=3 933 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,1,0,0,0,1|1,0,1]=4 934 B8R0.23 CC(C)C(=O)C[N+](=O)[O-] 1458a_100000210198_100000761209 [0,1,0,0,0,1|1,0,1]=4 935 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,0,0,0,1|2,0,0]=4 936 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [0,1,0,0,0,1|1,0,0]=3 937 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [0,1,0,0,0,1|0,0,1]=3 938 B8R0.23 CC(F)C(=O)C[N+](=O)[O-] 1458a_100000062450_100000761209 [0,1,0,0,0,1|1,0,1]=4 939 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,1,0,0,0,1|1,0,1]=4 940 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,1,0,0,0,1|1,0,1]=4 941 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,1,0,0,0,1|1,0,1]=4 942 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,1,0,0,0,1|1,0,1]=4 943 B8R0.23 CN(C)C(=O)CC(=O)N 240690a_100102631434_100134613110 [0,1,0,0,0,1|2,0,0]=4 944 B8R0.23 CN(C)C(=O)CC(=O)N 527a_100102631434_100134613110 [0,1,0,0,0,1|2,0,0]=4 945 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,1,0,0,0,1|1,0,0]=3 946 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,1,0,0,0,1|0,0,1]=3 947 B8R0.23 C[C@@H](O)C(=O)C[N+](=O)[O-] 1458a_100000717761_100000761209 [0,1,0,0,0,1|1,0,1]=4 948 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,1,0,0,0,1|1,0,0]=3 949 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,1,0,0,0,1|0,0,1]=3 950 B8R0.23 C[C@H](O)C(=O)C[N+](=O)[O-] 1458a_217856618621_100000761209 [0,1,0,0,0,1|1,0,1]=4 951 B8R0.23 NC(=O)CC(=O)C(O)O 1458a_100000233687_100000187820 [0,1,0,0,0,1|2,0,0]=4 952 B8R0.23 O=C([O-])CC(=O)C(O)O 1458a_100000233687_100020667443 [0,1,0,0,0,1|1,0,1]=4 953 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [0,1,0,0,0,1|1,0,1]=4 954 B8R0.24 CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210202 [0,1,0,0,0,1|1,0,1]=4 955 B8R0.24 CCC(=O)CS(=O)(=O)N 1458a_100000210414_100000741382 [0,1,0,0,0,1|1,0,1]=4 956 B8R0.24 CCC(=O)CS(=O)(=O)[O-] 1458a_100000210414_100009817235 [0,1,0,0,0,1|1,0,1]=4 957 B8R0.24 CCC(=O)NS(=O)(=O)C 2740a_100000171171_100000210414 [0,1,0,0,0,1|1,0,1]=4 958 B8R0.34 CCS(=O)(=O)CC(=O)C 1458a_100000744335_200000210301 [0,1,0,0,0,1|2,0,0]=4 959 B8R0.34 CCS(=O)(=O)CC(=O)[13CH3] 1458a_100000744335_200025704644 [0,1,0,0,0,1|2,0,0]=4 960 B8R0.34 CCS(=O)(=O)NC(=O)C 2740a_100000171174_100015343762 [0,1,0,0,0,1|2,0,0]=4 961 B8R0.3 C#CCC(=O)C(=O)NC 1458a_100011218921_100000184674 [0,2,0,0,0,0|1,0,1]=4 962 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,2,0,0,0,0|2,0,0]=4 963 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,2,0,0,0,0|2,0,0]=4 964 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,2,0,0,0,0|1,0,1]=4 965 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,2,0,0,0,0|2,0,0]=4 966 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,2,0,0,0,0|1,0,0]=3 967 B8R0.3 C=C(CO)C(=O)NNC 22a_100016993582_200000705526 [0,2,0,0,0,0|2,0,0]=4 968 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,2,0,0,0,0|1,0,0]=3 969 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,2,0,0,0,0|1,0,0]=3 970 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,2,0,0,0,0|1,0,0]=3 971 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,2,0,0,0,0|1,0,0]=3 972 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,2,0,0,0,0|1,0,0]=3 973 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,2,0,0,0,0|1,0,1]=4 974 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|1,0,1]=4 975 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,2,0,0,0,0|2,0,0]=4 976 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,2,0,0,0,0|2,0,0]=4 977 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,2,0,0,0,0|2,0,0]=4 978 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,2,0,0,0,0|2,0,0]=4 979 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,2,0,0,0,0|2,0,0]=4 980 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,2,0,0,0,0|2,0,0]=4 981 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,2,0,0,0,0|1,0,0]=3 982 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,2,0,0,0,0|1,0,1]=4 983 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,2,0,0,0,0|1,0,1]=4 984 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,2,0,0,0,0|1,0,1]=4 985 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,2,0,0,0,0|2,0,0]=4 986 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,2,0,0,0,0|2,0,0]=4 987 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,2,0,0,0,0|1,0,1]=4 988 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,2,0,0,0,0|1,0,1]=4 989 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,2,0,0,0,0|1,0,1]=4 990 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,2,0,0,0,0|1,0,1]=4 991 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,2,0,0,0,0|0,0,2]=4 992 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,2,0,0,0,0|1,0,0]=3 993 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,2,0,0,0,0|1,0,1]=4 994 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,2,0,0,0,0|1,0,1]=4 995 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,2,0,0,0,0|0,0,2]=4 996 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|1,0,1]=4 997 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,2,0,0,0,0|2,0,0]=4 998 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,2,0,0,0,0|2,0,0]=4 999 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,2,0,0,0,0|1,0,1]=4 1000 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,2,0,0,0,0|2,0,0]=4 1001 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,2,0,0,0,0|2,0,0]=4 1002 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,2,0,0,0,0|2,0,0]=4 1003 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,2,0,0,0,0|2,0,0]=4 1004 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,2,0,0,0,0|2,0,0]=4 1005 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,2,0,0,0,0|2,0,0]=4 1006 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,2,0,0,0,0|1,0,0]=3 1007 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,2,0,0,0,0|1,0,0]=3 1008 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,2,0,0,0,0|1,0,0]=3 1009 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,2,0,0,0,0|1,0,0]=3 1010 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,2,0,0,0,0|1,0,0]=3 1011 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,2,0,0,0,0|1,0,0]=3 1012 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,2,0,0,0,0|1,0,0]=3 1013 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,2,0,0,0,0|0,0,0]=2 1014 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,2,0,0,0,0|0,0,0]=2 1015 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,2,0,0,0,0|0,0,0]=2 1016 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,2,0,0,0,0|1,0,1]=4 1017 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,2,0,0,0,0|1,0,1]=4 1018 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,2,0,0,0,0|1,0,1]=4 1019 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,2,0,0,0,0|1,0,1]=4 1020 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,2,0,0,0,0|1,0,1]=4 1021 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,2,0,0,0,0|0,0,2]=4 1022 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,2,0,0,0,0|1,0,1]=4 1023 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,2,0,0,0,0|1,0,0]=3 1024 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,2,0,0,0,0|1,0,0]=3 1025 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,2,0,0,0,0|1,0,0]=3 1026 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,2,0,0,0,0|1,0,1]=4 1027 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,2,0,0,0,0|1,0,1]=4 1028 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,2,0,0,0,0|1,0,1]=4 1029 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,2,0,0,0,0|1,0,1]=4 1030 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,2,0,0,0,0|1,0,1]=4 1031 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,2,0,0,0,0|1,0,1]=4 1032 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,2,0,0,0,0|1,0,1]=4 1033 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,2,0,0,0,0|1,0,1]=4 1034 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,2,0,0,0,0|1,0,1]=4 1035 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 1036 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 1037 B8R0.3 CNC(=O)/C(=N/OC)/C 11a_106832991635_100160996864 [0,2,0,0,0,0|2,0,0]=4 1038 B8R0.3 CNC(=O)/C(=N/OC)/C 240690a_100102657272_100160996864 [0,2,0,0,0,0|2,0,0]=4 1039 B8R0.3 CNC(=O)C(=O)CC#N 1458a_100011218921_100011214920 [0,2,0,0,0,0|1,0,1]=4 1040 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,2,0,0,0,0|1,0,0]=3 1041 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,2,0,0,0,0|1,0,0]=3 1042 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,2,0,0,0,0|0,0,0]=2 1043 B8R0.3 CNCC(=O)N(C)OC 2230a_100015207273_200000210301 [0,2,0,0,0,0|2,0,0]=4 1044 B8R0.3 CNCC(=O)N(C)OC 2230a_106832991635_100000764215 [0,2,0,0,0,0|2,0,0]=4 1045 B8R0.3 CNCC(=O)N(C)OC 7a_106832991635_100000764215 [0,2,0,0,0,0|2,0,0]=4 1046 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,2,0,0,0,0|1,0,1]=4 1047 B8R0.3 CNNC(=O)C(=O)NC 22a_100016993582_100011218921 [0,2,0,0,0,0|2,0,0]=4 1048 B8R0.3 CO/N=C(\C)/C(=O)CF 1458a_100160996864_100015361967 [0,2,0,0,0,0|2,0,0]=4 1049 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,2,0,0,0,0|0,0,0]=2 1050 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,2,0,0,0,0|0,0,0]=2 1051 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,2,0,0,0,0|0,0,0]=2 1052 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,2,0,0,0,0|0,0,0]=2 1053 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,2,0,0,0,0|1,0,1]=4 1054 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,2,0,0,0,0|1,0,1]=4 1055 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,2,0,0,0,0|1,0,1]=4 1056 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,2,0,0,0,0|1,0,1]=4 1057 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,2,0,0,0,0|1,0,1]=4 1058 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,2,0,0,0,0|1,0,1]=4 1059 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,2,0,0,0,0|1,0,1]=4 1060 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|1,0,1]=4 1061 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,2,0,0,0,0|1,0,1]=4 1062 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,2,0,0,0,0|1,0,1]=4 1063 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,2,0,0,0,0|0,0,0]=2 1064 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,2,0,0,0,0|1,0,1]=4 1065 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,2,0,0,0,0|1,0,1]=4 1066 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,2,0,0,0,0|1,0,1]=4 1067 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,2,0,0,0,0|1,0,1]=4 1068 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,2,0,0,0,0|1,0,1]=4 1069 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|1,0,1]=4 1070 B8R0.3 CON(C)C(=O)CN[13CH3] 2230a_100015207273_200025704644 [0,2,0,0,0,0|2,0,0]=4 1071 B8R0.3 CON(C)C(=O)CSC 62a_100000764215_200000210301 [0,2,0,0,0,0|2,0,0]=4 1072 B8R0.3 CON(C)C(=O)CSC 62a_200000210301_100000764215 [0,2,0,0,0,0|2,0,0]=4 1073 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_100000764215_200025704644 [0,2,0,0,0,0|2,0,0]=4 1074 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_200025704644_100000764215 [0,2,0,0,0,0|2,0,0]=4 1075 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,2,0,0,0,0|0,0,2]=4 1076 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,2,0,0,0,0|0,0,2]=4 1077 B8R0.8 C#CCCC(=O)C(=C)C 1458a_100000185857_100000753159 [0,2,0,0,0,0|2,0,0]=4 1078 B8R0.8 C#CCCC(=O)C(O)O 1458a_100000233687_100000753159 [0,2,0,0,0,0|0,0,2]=4 1079 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,2,0,0,0,0|1,0,1]=4 1080 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,2,0,0,0,0|1,0,1]=4 1081 B8R0.8 C#CCNC(=O)C(=O)N 240690a_100000212058_100011215815 [0,2,0,0,0,0|1,0,1]=4 1082 B8R0.8 C/C=C/CC(=O)C(O)O 1458a_100000233687_100102629194 [0,2,0,0,0,0|0,0,2]=4 1083 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,2,0,0,0,0|1,0,1]=4 1084 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,2,0,0,0,0|1,0,1]=4 1085 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,2,0,0,0,0|2,0,0]=4 1086 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,2,0,0,0,0|2,0,0]=4 1087 B8R0.8 C=C(Br)C(=O)NCCF 11a_100000724931_100009813364 [0,2,0,0,0,0|2,0,0]=4 1088 B8R0.8 C=C(Br)C(=O)NCCF 1626a_100000724931_100009813364 [0,2,0,0,0,0|2,0,0]=4 1089 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,2,0,0,0,0|2,0,0]=4 1090 B8R0.8 C=C(C)C(=O)CC#CC 1458a_100000185857_100000748600 [0,2,0,0,0,0|2,0,0]=4 1091 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,2,0,0,0,0|2,0,0]=4 1092 B8R0.8 C=C(C)C(=O)CCC#N 1458a_100000185857_100011215226 [0,2,0,0,0,0|2,0,0]=4 1093 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,2,0,0,0,0|2,0,0]=4 1094 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,2,0,0,0,0|2,0,0]=4 1095 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,2,0,0,0,0|2,0,0]=4 1096 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,2,0,0,0,0|2,0,0]=4 1097 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,2,0,0,0,0|2,0,0]=4 1098 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,2,0,0,0,0|2,0,0]=4 1099 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,2,0,0,0,0|2,0,0]=4 1100 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,2,0,0,0,0|2,0,0]=4 1101 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,2,0,0,0,0|2,0,0]=4 1102 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [0,2,0,0,0,0|2,0,0]=4 1103 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,2,0,0,0,0|2,0,0]=4 1104 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,2,0,0,0,0|2,0,0]=4 1105 B8R0.8 C=C(Cl)C(=O)NCCF 11a_100000724931_100000039160 [0,2,0,0,0,0|2,0,0]=4 1106 B8R0.8 C=C(Cl)C(=O)NCCF 1626a_100000724931_100000039160 [0,2,0,0,0,0|2,0,0]=4 1107 B8R0.8 C=C(Cl)C(=O)NNCC 22a_100000756455_100000039160 [0,2,0,0,0,0|2,0,0]=4 1108 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,2,0,0,0,0|2,0,0]=4 1109 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,2,0,0,0,0|2,0,0]=4 1110 B8R0.8 C=C(F)C(=O)NCCF 11a_100000724931_100000036797 [0,2,0,0,0,0|2,0,0]=4 1111 B8R0.8 C=C(F)C(=O)NCCF 1626a_100000724931_100000036797 [0,2,0,0,0,0|2,0,0]=4 1112 B8R0.8 C=C(F)C(=O)NNCC 22a_100000756455_100000036797 [0,2,0,0,0,0|2,0,0]=4 1113 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,2,0,0,0,0|2,0,0]=4 1114 B8R0.8 C=CCCC(=O)C(O)O 1458a_100000233687_100000754431 [0,2,0,0,0,0|0,0,2]=4 1115 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,2,0,0,0,0|1,0,1]=4 1116 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,2,0,0,0,0|1,0,1]=4 1117 B8R0.8 C=CCNC(=O)C(=O)N 240690a_100020586998_100011215815 [0,2,0,0,0,0|1,0,1]=4 1118 B8R0.8 CC#CCC(=O)C(O)O 1458a_100000233687_100000748600 [0,2,0,0,0,0|0,0,2]=4 1119 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,2,0,0,0,0|1,0,1]=4 1120 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,2,0,0,0,0|1,0,1]=4 1121 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,2,0,0,0,0|1,0,0]=3 1122 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,2,0,0,0,0|1,0,0]=3 1123 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,2,0,0,0,0|1,0,1]=4 1124 B8R0.8 CC=CCC(=O)C(O)O 1458a_100000233687_100000070051 [0,2,0,0,0,0|0,0,2]=4 1125 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,2,0,0,0,0|1,0,1]=4 1126 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,2,0,0,0,0|1,0,1]=4 1127 B8R0.8 CC=NNC(=O)C(=O)N 4a_100000211141_200000210099 [0,2,0,0,0,0|1,0,1]=4 1128 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,2,0,0,0,0|2,0,0]=4 1129 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,2,0,0,0,0|2,0,0]=4 1130 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,2,0,0,0,0|0,0,2]=4 1131 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,2,0,0,0,0|1,0,1]=4 1132 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,2,0,0,0,0|1,0,1]=4 1133 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,2,0,0,0,0|1,0,0]=3 1134 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,2,0,0,0,0|1,0,0]=3 1135 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,2,0,0,0,0|1,0,0]=3 1136 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,2,0,0,0,0|0,0,2]=4 1137 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,2,0,0,0,0|1,0,1]=4 1138 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,2,0,0,0,0|1,0,1]=4 1139 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,2,0,0,0,0|1,0,1]=4 1140 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,2,0,0,0,0|1,0,1]=4 1141 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,2,0,0,0,0|1,0,1]=4 1142 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,2,0,0,0,0|1,0,1]=4 1143 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [0,2,0,0,0,0|1,0,0]=3 1144 B8R0.8 CCNNC(=O)C(O)O 22a_100000756455_100000233687 [0,2,0,0,0,0|0,0,2]=4 1145 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,2,0,0,0,0|1,0,1]=4 1146 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,2,0,0,0,0|1,0,1]=4 1147 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,2,0,0,0,0|1,0,0]=3 1148 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,2,0,0,0,0|1,0,0]=3 1149 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,2,0,0,0,0|1,0,0]=3 1150 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,2,0,0,0,0|0,0,2]=4 1151 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,2,0,0,0,0|1,0,1]=4 1152 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,2,0,0,0,0|1,0,1]=4 1153 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,2,0,0,0,0|1,0,1]=4 1154 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,2,0,0,0,0|0,0,2]=4 1155 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,2,0,0,0,0|1,0,1]=4 1156 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,2,0,0,0,0|1,0,1]=4 1157 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,2,0,0,0,0|1,0,1]=4 1158 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,2,0,0,0,0|1,0,1]=4 1159 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,2,0,0,0,0|1,0,1]=4 1160 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,2,0,0,0,0|1,0,1]=4 1161 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,2,0,0,0,0|1,0,1]=4 1162 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,2,0,0,0,0|1,0,1]=4 1163 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,2,0,0,0,0|1,0,1]=4 1164 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,2,0,0,0,0|1,0,1]=4 1165 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,2,0,0,0,0|1,0,1]=4 1166 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,2,0,0,0,0|1,0,1]=4 1167 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,2,0,0,0,0|1,0,1]=4 1168 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,2,0,0,0,0|1,0,1]=4 1169 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,2,0,0,0,0|1,0,1]=4 1170 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,2,0,0,0,0|1,0,1]=4 1171 B8R0.8 N#CCCC(=O)C(O)O 1458a_100000233687_100011215226 [0,2,0,0,0,0|0,0,2]=4 1172 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [0,2,0,0,0,0|1,0,0]=3 1173 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,2,0,0,0,0|1,0,0]=3 1174 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,2,0,0,0,0|0,0,2]=4 1175 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,2,0,0,0,0|0,0,2]=4 1176 B8R0.8 O=C(NCCF)C(O)O 240690a_100000724931_100000233687 [0,2,0,0,0,0|0,0,2]=4 1177 B8R0.8 O=C(NCCO)C(O)O 240690a_100000210304_100000233687 [0,2,0,0,0,0|0,0,2]=4 1178 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,2,0,0,0,0|1,0,1]=4 1179 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,2,0,0,0,0|1,0,1]=4 1180 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,2,0,0,0,0|1,0,1]=4 1181 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,2,0,0,0,0|1,0,1]=4 1182 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,2,0,0,0,0|1,0,1]=4 1183 B8R0.14 CC(C)(O)C(=O)CCF 1458a_100000242741_100011217306 [0,2,0,0,0,0|1,0,1]=4 1184 B8R0.14 CC(C)(O)C(=O)CCO 1458a_100000242741_100000211926 [0,2,0,0,0,0|1,0,1]=4 1185 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [0,2,0,0,0,0|1,0,1]=4 1186 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [0,2,0,0,0,0|1,0,1]=4 1187 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,2,0,0,0,0|1,0,1]=4 1188 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,2,0,0,0,0|1,0,1]=4 1189 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,2,0,0,0,0|1,0,1]=4 1190 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,2,0,0,0,0|0,0,2]=4 1191 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,2,0,0,0,0|1,0,1]=4 1192 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,2,0,0,0,0|1,0,1]=4 1193 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,2,0,0,0,0|1,0,1]=4 1194 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,2,0,0,0,0|1,0,1]=4 1195 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,2,0,0,0,0|1,0,1]=4 1196 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,2,0,0,0,0|1,0,1]=4 1197 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,2,0,0,0,0|1,0,1]=4 1198 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,2,0,0,0,0|1,0,1]=4 1199 B8R0.13 CCC(=O)C(C)(C)CO 1458a_100000749806_100000210202 [0,2,0,0,0,0|1,0,1]=4 1200 B8R0.13 CCC(=O)C(C)(C)OC 1458a_100000753492_100000210202 [0,2,0,0,0,0|1,0,1]=4 1201 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [0,2,0,0,0,0|1,0,1]=4 1202 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,2,0,0,0,0|1,0,1]=4 1203 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,2,0,0,0,0|1,0,1]=4 1204 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,2,0,0,0,0|1,0,1]=4 1205 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,2,0,0,0,0|1,0,1]=4 1206 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,2,0,0,0,0|1,0,1]=4 1207 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [0,2,0,0,0,0|0,0,2]=4 1208 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,2,0,0,0,0|1,0,1]=4 1209 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,2,0,0,0,0|1,0,1]=4 1210 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,2,0,0,0,0|1,0,1]=4 1211 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,2,0,0,0,0|1,0,1]=4 1212 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,2,0,0,0,0|0,0,2]=4 1213 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,2,0,0,0,0|0,0,2]=4 1214 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,2,0,0,0,0|0,0,2]=4 1215 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,2,0,0,0,0|0,0,2]=4 1216 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,2,0,0,0,0|0,0,2]=4 1217 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,2,0,0,0,0|0,1,1]=4 1218 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,2,0,0,0,0|0,1,1]=4 1219 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,2,0,0,0,0|0,1,1]=4 1220 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,2,0,0,0,0|0,1,1]=4 1221 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [0,2,0,0,0,0|2,0,0]=4 1222 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [0,2,0,0,0,0|2,0,0]=4 1223 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,2,0,0,0,0|1,0,1]=4 1224 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,2,0,0,0,0|1,0,1]=4 1225 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [0,2,0,0,0,0|1,0,1]=4 1226 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [0,2,0,0,0,0|1,0,1]=4 1227 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [0,2,0,0,0,0|1,0,1]=4 1228 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [0,2,0,0,0,0|1,0,1]=4 1229 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,2,0,0,0,0|1,0,1]=4 1230 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,2,0,0,0,0|1,0,1]=4 1231 B8R0.27 CC(C)C(=O)C(C)(C)O 1458a_100000242741_100000210206 [0,2,0,0,0,0|1,0,1]=4 1232 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,2,0,0,0,0|1,0,1]=4 1233 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,2,0,0,0,0|1,0,1]=4 1234 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,2,0,0,0,0|1,0,1]=4 1235 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,2,0,0,0,0|1,0,1]=4 1236 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,2,0,0,0,0|1,0,1]=4 1237 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|1,0,1]=4 1238 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|1,0,1]=4 1239 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,0,0,1,0,1|1,1,0]=4 1240 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,0,0,1,0,1|2,0,0]=4 1241 B8R1.1 CCc1nc(no1)O 271570a_203496583355_100012003642 [0,0,0,1,0,1|1,0,1]=4 1242 B8R1.1 CCc1noc(n1)C 270196a_200000212204_100000070787 [0,0,0,1,0,1|2,0,0]=4 1243 B8R1.1 CCc1noc(n1)O 270196a_200000212204_100015183105 [0,0,0,1,0,1|1,0,1]=4 1244 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,1|2,0,0]=4 1245 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,1|2,0,0]=4 1246 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,0,0,1,0,1|1,0,0]=3 1247 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,0,1,0,1|2,0,0]=4 1248 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,0,1,0,1|2,0,0]=4 1249 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,0,0,1,0,1|2,0,0]=4 1250 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,0,0,1,0,1|2,0,0]=4 1251 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,0,0,1,0,1|1,0,1]=4 1252 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,0,0,1,0,1|1,0,1]=4 1253 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,1,0,1,0,0|2,0,0]=4 1254 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,1,0,1,0,0|2,0,0]=4 1255 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,1,0,1,0,0|1,0,1]=4 1256 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,1,0,1,0,0|2,0,0]=4 1257 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,1,0,1,0,0|2,0,0]=4 1258 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,1,0,1,0,0|1,0,1]=4 1259 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,1,0,1,0,0|1,0,1]=4 1260 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,1,0,1,0,0|1,0,1]=4 1261 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,1,0,1,0,0|1,0,1]=4 1262 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,1,0,1,0,0|1,0,1]=4 1263 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [0,1,0,1,0,0|1,0,1]=4 1264 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [0,1,0,1,0,0|1,0,1]=4 1265 B8R1.54 CC(C)C(=O)C1CO1 1458a_100000701028_100000210206 [0,1,0,1,0,0|1,0,1]=4 1266 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,1,0,1,0,0|1,1,0]=4 1267 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,1,0,1,0,0|1,1,0]=4 1268 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|1,0,1]=4 1269 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|1,0,1]=4 1270 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|1,0,1]=4 1271 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|1,0,1]=4 1272 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|1,0,1]=4 1273 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|0,0,2]=4 1274 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|0,1,1]=4 1275 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|0,1,1]=4 1276 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|1,0,1]=4 1277 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|0,1,1]=4 1278 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|0,1,1]=4 1279 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,1,0,0|1,0,1]=4 1280 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,1,0,1,0,0|1,0,1]=4 1281 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,1,0,1,0,0|1,0,1]=4 1282 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,1,0,0|1,0,1]=4 1283 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,1,0,0|2,0,0]=4 1284 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,1,0,0|2,0,0]=4 1285 B8R1.39 CCC(=O)C1(CC1)O 1458a_100000241761_100000210202 [0,1,0,1,0,0|1,0,1]=4 1286 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [0,1,0,1,0,0|1,0,1]=4 1287 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [0,1,0,1,0,0|1,0,1]=4 1288 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,0,0,0,0,2|2,0,0]=4 1289 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,0,0,0,0,2|2,0,0]=4 1290 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,0,0,0,0,2|2,0,0]=4 1291 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,0,0,0,0,2|2,0,0]=4 1292 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,0,0,0,0,2|2,0,0]=4 1293 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,0,0,0,0,2|2,0,0]=4 1294 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [0,0,0,0,0,2|2,0,0]=4 1295 B8R0.9 CC(=O)NNC(=O)CO 22a_100000189765_100000210174 [0,0,0,0,0,2|2,0,0]=4 1296 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [0,0,0,0,0,2|2,0,0]=4 1297 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [0,0,0,0,0,2|2,0,0]=4 1298 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,0,0,0,0,2|2,0,0]=4 1299 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,0,0,0,0,2|2,0,0]=4 1300 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,0,0,0,0,2|1,0,0]=3 1301 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,0,0,0,0,2|1,0,1]=4 1302 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,0,0,0,0,2|1,0,1]=4 1303 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,0,0,0,0,2|1,0,0]=3 1304 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,0,0,0,0,2|1,0,0]=3 1305 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,0,0,0,0,2|1,0,0]=3 1306 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,0,0,0,0,2|1,0,0]=3 1307 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,0,0,0,0,2|1,0,0]=3 1308 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,0,0,0,0,2|1,0,0]=3 1309 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,0,0,0,0,2|1,0,0]=3 1310 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,0,0,0,0,2|1,0,0]=3 1311 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,0,0,0,0,2|1,0,0]=3 1312 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,0,0,0,0,2|1,0,1]=4 1313 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,0,0,0,0,2|1,0,1]=4 1314 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,0,0,0,0,2|1,0,1]=4 1315 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,0,0,0,0,2|1,0,0]=3 1316 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,0,0,0,0,2|1,0,0]=3 1317 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,0,0,0,0,2|1,0,1]=4 1318 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,0,0,0,0,2|2,0,0]=4 1319 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,0,0,0,0,2|2,0,0]=4 1320 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,0,0,0,0,2|2,0,0]=4 1321 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,0,0,0,0,2|2,0,0]=4 1322 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,0,0,0,0,2|2,0,0]=4 1323 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,0,0,0,0,2|2,0,0]=4 1324 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,0,0,0,0,2|2,0,0]=4 1325 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,0,0,0,0,2|2,0,0]=4 1326 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,0,0,0,0,2|2,0,0]=4 1327 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,0,0,0,0,2|2,0,0]=4 1328 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,0,0,0,0,2|2,0,0]=4 1329 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,0,0,0,0,2|2,0,0]=4 1330 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,0,0,0,0,2|2,0,0]=4 1331 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,0,0,0,0,2|2,0,0]=4 1332 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,0,0,0,0,2|2,0,0]=4 1333 B8R0.9 CNC(=O)CNC(=O)N 240690a_100102657272_100000184981 [0,0,0,0,0,2|2,0,0]=4 1334 B8R0.9 CNC(=O)CNC(=O)N 527a_100102657272_100000184981 [0,0,0,0,0,2|2,0,0]=4 1335 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,0,0,0,0,2|2,0,0]=4 1336 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,0,0,0,0,2|2,0,0]=4 1337 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,0,0,0,0,2|2,0,0]=4 1338 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,0,0,0,0,2|2,0,0]=4 1339 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,0,0,0,0,2|2,0,0]=4 1340 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,0,0,0,0,2|2,0,0]=4 1341 B8R0.9 CNC(=O)CSC(=O)N 240690a_100102657272_200015941356 [0,0,0,0,0,2|2,0,0]=4 1342 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [0,0,0,0,0,2|2,0,0]=4 1343 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [0,0,0,0,0,2|2,0,0]=4 1344 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [0,0,0,0,0,2|2,0,0]=4 1345 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [0,0,0,0,0,2|2,0,0]=4 1346 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [0,0,0,0,0,2|2,0,0]=4 1347 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [0,0,0,0,0,2|2,0,0]=4 1348 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,0,0,0,0,2|2,0,0]=4 1349 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,0,0,0,0,2|2,0,0]=4 1350 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,0,0,0,0,2|2,0,0]=4 1351 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,0,0,0,0,2|2,0,0]=4 1352 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,0,0,0,0,2|2,0,0]=4 1353 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,0,0,0,0,2|2,0,0]=4 1354 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [0,0,0,0,0,2|2,0,0]=4 1355 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [0,0,0,0,0,2|2,0,0]=4 1356 B8R0.9 NC(=O)NCC(=O)CF 1458a_100000184981_100015361967 [0,0,0,0,0,2|2,0,0]=4