0 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,0,0,0,0,0|1,0,3]=4 19 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,0,0,0,0,0|2,0,2]=4 46 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,0,0,0,0,0|2,0,1]=3 47 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,0,0,0,0,0|2,0,2]=4 55 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,0,0,0,0,0|2,0,2]=4 56 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,0,0,0,0,0|3,0,1]=4 58 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,0,0,0,0|3,0,1]=4 59 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,0,0,0,0|3,0,1]=4 60 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,0,0,0,0,0|3,0,1]=4 63 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,0,0,0,0|3,0,1]=4 64 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,0,0,0,0,0|3,0,1]=4 65 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,0,0,0,0,0|2,0,2]=4 67 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,0,0,0,0,0|2,0,2]=4 68 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,0,0,0,0,0|3,0,1]=4 71 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,0,0,0,0,0|3,0,1]=4 72 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,0,0,0,0,0|2,0,1]=3 73 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,0,0,0,0,0|2,0,2]=4 74 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,0,0,0,0,0|2,0,2]=4 77 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,0,0,0,0,0|2,0,2]=4 78 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|1,0,2]=4 79 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|1,0,2]=4 80 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|1,0,2]=4 81 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|1,0,0]=2 88 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|1,0,0]=2 89 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|1,0,2]=4 90 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|1,0,2]=4 91 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|1,0,2]=4 92 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|1,0,2]=4 101 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|3,0,0]=4 102 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|1,0,2]=4 107 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|1,0,2]=4 112 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|1,0,2]=4 113 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|2,0,0]=3 114 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,0,1]=4 117 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|1,0,1]=3 118 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|1,0,2]=4 121 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|1,0,2]=4 122 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,0,0,0,0|3,0,0]=4 124 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,0,0,0,0|3,0,0]=4 125 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|1,0,2]=4 126 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,0,0,0,0,0|2,0,0]=3 130 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,0,0,0,0|2,0,1]=4 133 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,0,0,0,0|1,0,2]=4 134 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,0,0,0,0|3,0,0]=4 136 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,0,0,0,0|3,0,0]=4 137 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,0,0,0,0|3,0,0]=4 138 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,0,0,0,0|2,0,1]=4 139 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,0,0,0,0|2,0,1]=4 142 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,0,0,0,0|2,0,1]=4 143 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,0,0,0,0|1,0,2]=4 145 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,1,0,0,0,0|1,0,2]=4 148 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|2,0,1]=4 153 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,1,0,0,0,0|1,0,2]=4 154 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|2,0,1]=4 155 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,1,0,0,0,0|1,0,2]=4 156 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,1,0,0,0,0|1,0,2]=4 157 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,1,0,0,0,0|3,0,0]=4 158 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,1,0,0,0,0|3,0,0]=4 159 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,1,0,0,0,0|3,0,0]=4 160 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|1,0,2]=4 162 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,1,0,0,0,0|1,0,2]=4 166 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|1,0,2]=4 167 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|2,0,0]=3 168 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,1,0,0,0,0|2,0,0]=3 169 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,0,0,0,0|2,0,0]=3 170 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,0,0,0,0|2,0,0]=3 171 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|1,0,2]=4 173 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,1,0,0,0,0|3,0,0]=4 176 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,1,0,0,0,0|3,0,0]=4 177 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,1,0,0,0,0|3,0,0]=4 178 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,1,0,0,0,0|3,0,0]=4 179 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,1,0,0,0,0|2,0,0]=3 180 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,1,0,0,0,0|2,0,0]=3 181 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,1,0,0,0,0|2,0,0]=3 183 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,0,0,0,0|2,0,1]=4 184 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,1,0,0,0,0|2,0,1]=4 187 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,1,0,0,0,0|2,0,1]=4 188 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,0,0,0,0|2,0,1]=4 190 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,1,0,0,0,0|0,0,2]=3 194 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,1,0,0,0,0|0,0,2]=3 195 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,1,0,0,0,0|1,0,2]=4 196 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,1,0,0,0,0|1,0,2]=4 197 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,1,0,0,0,0|1,0,2]=4 198 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,1,0,0,0,0|1,0,2]=4 199 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,1,0,0,0,0|1,0,2]=4 200 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,1,0,0,0,0|1,0,2]=4 201 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,1,0,0,0,0|1,0,2]=4 202 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,0,0,0,0|0,0,2]=3 203 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,0,0,0,0|0,0,2]=3 204 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,0,0,0,0|1,0,2]=4 205 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,0,0,0,0|1,0,2]=4 206 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,0,0,0,0|3,0,0]=4 207 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,1,0,0,0,0|2,0,1]=4 209 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,1,0,0,0,0|1,0,2]=4 211 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,0,0|2,0,1]=4 213 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,1,0,0,0,0|3,0,0]=4 214 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,0,0,0,0|3,0,0]=4 215 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [0,0,0,1,0,0|3,0,0]=4 216 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,0,0,1,0,0|1,1,1]=4 217 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,0,0,1,0,0|3,0,0]=4 218 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,0,0,1,0,0|3,0,0]=4 219 B7R1.4 Nc1c[nH]nc1O 271570a_203496583355_100010894806 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.4 Nc1n[nH]cc1O 271570a_203496583355_100000717100 [0,0,0,1,0,0|3,0,0]=4 221 B7R1.4 Nc1nocc1O 271570a_203496583355_100012597345 [0,0,0,1,0,0|3,0,0]=4 222 B7R1.4 Oc1cscc1Br 271570a_203496583355_100010143727 [0,0,0,1,0,0|3,0,0]=4 223 B7R1.4 Oc1n[nH]cc1Br 271570a_203496583355_100015839836 [0,0,0,1,0,0|3,0,0]=4 224 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [0,0,0,1,0,0|1,1,1]=4 225 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,0,0,0,0,1|2,0,1]=4 226 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [0,0,0,0,0,1|1,0,2]=4 227 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,0,0,0,1|2,0,1]=4 228 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,0,0,0,1|2,0,1]=4 229 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,0,1|2,0,1]=4 230 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,0,0,0,1|2,0,1]=4 231 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,0,0,0,1|2,0,1]=4 232 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,0,0,0,1|1,0,2]=4 233 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,0,0,0,0,1|2,0,1]=4 234 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,0,0,0,0,1|2,0,1]=4 235 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,0,0,0,0,1|2,0,1]=4 236 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,0,0,0,1|3,0,0]=4 237 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,0,0,0,0,1|3,0,0]=4 238 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,0,0,0,0,1|3,0,0]=4 239 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,0,0,0,0,1|3,0,0]=4 240 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,0,0,0,0,1|3,0,0]=4 241 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,0,0,0,0,1|3,0,0]=4 242 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|1,0,0]=3 243 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|1,0,0]=3 244 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,1]=4 245 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|1,0,1]=4 246 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|1,0,1]=4 247 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|1,0,1]=4 248 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|2,0,0]=4 249 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|2,0,0]=4 250 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|2,0,0]=4 251 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|2,0,0]=4 252 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,1]=4 253 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 254 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,1]=4 255 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 256 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,1]=4 257 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,1]=4 258 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,1]=4 259 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,1]=4 260 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,1]=4 261 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,1,0,0,0,0|1,0,1]=4 262 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,1,0,0,0,0|1,0,1]=4 263 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,1,0,0,0,0|0,0,2]=4 264 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,1,0,0,0,0|1,0,0]=3 265 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,1,0,0,0,0|1,0,0]=3 266 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,1,0,0,0,0|1,0,0]=3 267 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,1,0,0,0,0|1,0,0]=3 268 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,1,0,0,0,0|1,0,0]=3 269 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,1,0,0,0,0|2,0,0]=4 272 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|0,0,2]=4 273 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 274 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 275 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,1,0,0,0,0|1,0,1]=4 282 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,1,0,0,0,0|1,0,1]=4 284 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,1,0,0,0,0|2,0,0]=4 285 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,1,0,0,0,0|1,0,1]=4 287 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,1,0,0,0,0|1,0,1]=4 288 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,1,0,0,0,0|1,0,1]=4 290 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [1,1,0,0,0,0|2,0,0]=4 291 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [1,1,0,0,0,0|2,0,0]=4 292 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [1,1,0,0,0,0|2,0,0]=4 293 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|1,0,1]=4 294 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|1,0,0]=3 295 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,1,0,0,0,0|1,0,0]=3 296 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,1,0,0,0,0|1,0,0]=3 297 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|1,0,0]=3 298 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,1,0,0,0,0|1,0,0]=3 299 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,1,0,0,0,0|1,0,0]=3 300 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,1,0,0,0,0|1,0,1]=4 303 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,1,0,0,0,0|0,0,2]=4 304 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|1,0,1]=4 305 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|1,0,1]=4 306 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|1,0,0]=3 309 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|1,0,0]=3 313 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|1,0,0]=3 317 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|0,0,2]=4 318 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|1,0,0]=3 320 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|1,0,0]=3 321 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [1,1,0,0,0,0|1,0,1]=4 324 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [1,1,0,0,0,0|1,0,1]=4 325 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [0,1,0,0,0,1|2,0,0]=4 326 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [0,1,0,0,0,1|1,0,1]=4 327 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,1,0,0,0,1|0,0,2]=4 328 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,1,0,0,0,1|0,0,2]=4 329 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [0,1,0,0,0,1|1,0,1]=4 330 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,0,0,0,1|1,0,1]=4 331 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,0,0,0,1|1,0,1]=4 332 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,0,0,0,1|1,0,1]=4 333 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,1,0,0,0,1|2,0,0]=4 334 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,1,0,0,0,1|2,0,0]=4 335 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,1,0,0,0,1|2,0,0]=4 336 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [0,1,0,0,0,1|2,0,0]=4 337 B8R0.23 C=C(C)C(=O)CC(=O)[O-] 1458a_100000185857_100020667443 [0,1,0,0,0,1|1,0,1]=4 338 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,1,0,0,0,1|2,0,0]=4 339 B8R0.3 C#CCC(=O)/C(=C/C)/C 1458a_100020587367_100000184674 [0,2,0,0,0,0|2,0,0]=4 340 B8R0.3 C/C=C(\C)/C(=O)CC#N 1458a_100020587367_100011214920 [0,2,0,0,0,0|2,0,0]=4 341 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,2,0,0,0,0|2,0,0]=4 343 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,2,0,0,0,0|1,0,0]=3 344 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,2,0,0,0,0|2,0,0]=4 345 B8R0.3 C/C=C(\C)/C(=O)NNC 22a_100016993582_100020587367 [0,2,0,0,0,0|2,0,0]=4 346 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,2,0,0,0,0|1,0,1]=4 347 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,2,0,0,0,0|1,0,1]=4 348 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,2,0,0,0,0|1,0,1]=4 349 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,2,0,0,0,0|1,0,1]=4 350 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,2,0,0,0,0|1,0,1]=4 351 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,2,0,0,0,0|1,0,1]=4 352 B8R0.3 C=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000210623 [0,2,0,0,0,0|2,0,0]=4 353 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,2,0,0,0,0|2,0,0]=4 354 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,2,0,0,0,0|2,0,0]=4 355 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,2,0,0,0,0|2,0,0]=4 356 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,2,0,0,0,0|2,0,0]=4 357 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,2,0,0,0,0|2,0,0]=4 358 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,2,0,0,0,0|2,0,0]=4 359 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 360 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 361 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 362 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,2,0,0,0,0|2,0,0]=4 363 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,2,0,0,0,0|2,0,0]=4 364 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,2,0,0,0,0|2,0,0]=4 365 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,2,0,0,0,0|2,0,0]=4 366 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,2,0,0,0,0|1,0,1]=4 367 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,2,0,0,0,0|1,0,1]=4 368 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,2,0,0,0,0|1,0,1]=4 369 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,2,0,0,0,0|1,0,1]=4 370 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,2,0,0,0,0|1,0,1]=4 371 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|0,0,2]=4 372 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,2,0,0,0,0|1,0,1]=4 373 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|0,0,2]=4 374 B8R0.8 CC=NNC(=O)C(=O)N 4a_100000211141_200000210099 [0,2,0,0,0,0|2,0,0]=4 375 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,2,0,0,0,0|2,0,0]=4 376 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,2,0,0,0,0|2,0,0]=4 377 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,2,0,0,0,0|0,0,2]=4 378 B8R0.15 C=C[C@H](NCF)C(=O)O 269956a_100016992060_100015361967 [0,2,0,0,0,0|0,0,2]=4 379 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,2,0,0,0,0|0,0,2]=4 380 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,2,0,0,0,0|0,0,2]=4 381 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,2,0,0,0,0|0,0,2]=4 382 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,2,0,0,0,0|0,0,2]=4 383 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,2,0,0,0,0|0,0,2]=4 384 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,2,0,0,0,0|0,0,2]=4 385 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,2,0,0,0,0|0,0,2]=4 386 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,2,0,0,0,0|0,0,2]=4 387 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,2,0,0,0,0|0,0,2]=4 388 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,2,0,0,0,0|0,0,2]=4 389 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,2,0,0,0,0|0,0,2]=4 390 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,2,0,0,0,0|0,0,2]=4 391 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,2,0,0,0,0|0,0,2]=4 392 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,2,0,0,0,0|1,0,1]=4 393 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [0,2,0,0,0,0|1,0,1]=4 394 B8R0.20 COC(=O)C(CN)OC 34a_100000695228_200000210301 [0,2,0,0,0,0|1,0,1]=4 395 B8R0.20 COC(=O)C(CN)O[13CH3] 34a_100000695228_200025704644 [0,2,0,0,0,0|1,0,1]=4 396 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,2,0,0,0,0|0,0,2]=4 397 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,2,0,0,0,0|0,0,2]=4 398 B8R0.18 CC(=C(C#N)C(=O)[13CH3])C 1458a_100000137542_200025704644 [0,2,0,0,0,0|1,0,1]=4 399 B8R0.18 CC(=O)C(=C(C)C)C#N 1458a_100000137542_200000210301 [0,2,0,0,0,0|1,0,1]=4 400 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,2,0,0,0,0|0,0,2]=4 401 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,2,0,0,0,0|0,0,2]=4 402 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,2,0,0,0,0|0,0,2]=4 403 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,2,0,0,0,0|0,0,2]=4 404 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [1,0,0,1,0,0|2,0,0]=4 405 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [1,0,0,1,0,0|0,0,2]=4 406 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [1,0,0,1,0,0|0,1,1]=4 407 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [1,0,0,1,0,0|2,0,0]=4 408 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [1,0,0,1,0,0|2,0,0]=4 409 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [1,0,0,1,0,0|2,0,0]=4 410 B8R1.4 Nc1cccc(c1)O 271570a_203496583355_100000210019 [0,0,0,1,0,1|1,0,1]=4 411 B8R1.4 Nc1cccc(n1)O 271570a_203496583355_100000740741 [0,0,0,1,0,1|1,0,1]=4 412 B8R1.4 Nc1ccnc(c1)O 271570a_203496583355_100009814236 [0,0,0,1,0,1|1,0,1]=4 413 B8R1.4 Nc1ccnc(n1)O 271570a_203496583355_100000757536 [0,0,0,1,0,1|1,0,1]=4 414 B8R1.4 Nc1cncc(c1)O 271570a_203496583355_100000687067 [0,0,0,1,0,1|2,0,0]=4 415 B8R1.4 Nc1cncc(n1)O 271570a_203496583355_100009819714 [0,0,0,1,0,1|2,0,0]=4 416 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,0,0,1,0,1|1,1,0]=4 417 B8R1.18 Cc1nc(sc1C)O 271570a_203496583355_100000765934 [0,0,0,1,0,1|1,1,0]=4 418 B8R1.18 Cn1cc(nc1N)O 271570a_203496583355_100025756272 [0,0,0,1,0,1|2,0,0]=4 419 B8R1.18 Cn1nc(cc1N)O 271570a_203496583355_100000734454 [0,0,0,1,0,1|2,0,0]=4 420 B8R1.18 Cn1nc(nc1N)O 271570a_203496583355_200010296169 [0,0,0,1,0,1|2,0,0]=4 421 B8R1.5 Nc1ccccc1O 271570a_203496583355_100000210017 [0,1,0,1,0,0|1,0,1]=4 422 B8R1.5 Nc1cccnc1O 271570a_203496583355_100000688686 [0,1,0,1,0,0|1,0,1]=4 423 B8R1.5 Nc1ccncc1O 271570a_203496583355_100000047001 [0,1,0,1,0,0|1,0,1]=4 424 B8R1.5 Nc1cnccc1O 271570a_203496583355_100009815883 [0,1,0,1,0,0|1,0,1]=4 425 B8R1.5 Nc1cncnc1O 271570a_203496583355_100000709731 [0,1,0,1,0,0|1,0,1]=4 426 B8R1.5 Nc1cnncc1O 271570a_203496583355_100009829405 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.5 Nc1ncccc1O 271570a_203496583355_100000045569 [0,1,0,1,0,0|1,0,1]=4 428 B8R1.5 Nc1nccnc1O 271570a_203496583355_100000747729 [0,1,0,1,0,0|1,0,1]=4 429 B8R1.5 Nc1ncncc1O 271570a_203496583355_100011996079 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|0,0,2]=4 437 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|0,0,2]=4 438 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|0,0,2]=4 439 B8R1.11 COc1n[nH]cc1O 271570a_203496583355_100010982843 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [0,1,0,1,0,0|0,1,1]=4 441 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [0,1,0,1,0,0|1,0,1]=4 442 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.50 Cc1[nH]nc(c1C)O 271570a_203496583355_100015309786 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.50 Cc1noc(c1O)C 271570a_203496583355_100000694658 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.50 Cc1noc(c1O)N 271570a_203496583355_100000754107 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.50 Cc1onc(c1O)N 271570a_203496583355_100011216220 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.50 Cc1onc(c1O)O 271570a_203496583355_100010730664 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [0,1,0,1,0,0|1,1,0]=4 449 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [0,1,0,1,0,0|0,0,2]=4 450 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [0,1,0,1,0,0|0,0,2]=4 451 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,0,0,0,0,2|2,0,0]=4 452 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,0,0,0,0,2|2,0,0]=4