0 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,0,0,0,0,0|0,0,0]=0 3 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,0,0,0,0,0|0,0,2]=2 11 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,0,0,0,0,0|1,0,1]=2 15 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,0,0,0,0,0|1,0,1]=2 17 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,0,0,0,0,0|2,0,2]=4 27 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,0,0,0,0,0|2,0,2]=4 32 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,0,0,0,0,0|2,0,2]=4 36 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,0,0,0,0,0|2,0,2]=4 37 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,0,0,0,0,0|2,0,2]=4 38 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,0,0,0,0,0|2,0,1]=3 40 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [0,0,0,0,0,0|2,0,1]=3 41 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [0,0,0,0,0,0|2,0,1]=3 42 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,0,0,0,0,0|2,0,1]=3 44 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,0,0,0,0,0|0,0,2]=3 45 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,0,0,0,0,0|0,0,2]=3 46 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|0,0,0]=1 47 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|0,0,0]=1 48 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|0,0,1]=2 51 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|0,0,1]=2 52 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|0,0,1]=2 53 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|1,0,1]=3 61 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|1,0,1]=3 63 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|1,0,1]=3 70 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|1,0,1]=3 74 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|1,0,2]=4 77 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|1,0,2]=4 78 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|1,0,2]=4 79 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|1,0,2]=4 80 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|1,0,2]=4 81 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|1,0,2]=4 85 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|1,0,2]=4 86 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|1,0,2]=4 87 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|1,0,2]=4 88 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|1,0,2]=4 90 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.1 C#CC(=O)CC#N 1458a_100000211873_100011214920 [0,1,0,0,0,0|0,0,3]=4 101 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,1,0,0,0,0|0,0,2]=3 102 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,1,0,0,0,0|0,0,2]=3 103 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,1,0,0,0,0|0,0,2]=3 104 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,1,0,0,0,0|0,0,2]=3 105 B6R0.1 C#CCC(=O)C#C 1458a_100000211873_100000184674 [0,1,0,0,0,0|0,0,3]=4 106 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [0,1,0,0,0,0|0,0,1]=2 107 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,1,0,0,0,0|0,0,2]=3 108 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,1,0,0,0,0|0,0,2]=3 109 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,1,0,0,0,0|1,0,2]=4 110 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,1,0,0,0,0|1,0,2]=4 111 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,1,0,0,0,0|1,0,2]=4 112 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,1,0,0,0,0|1,0,2]=4 113 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.1 C=C(C#N)CNC 2230a_106832991635_100000694840 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.1 C=C(C#N)CNC 34a_100102657272_100000694840 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.1 C=C(C#N)COC 34a_100138415774_100000694840 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.1 C=C(C#N)CSC 62a_200000210301_100000694840 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.1 C=C(C#N)CS[13CH3] 62a_200025704644_100000694840 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [0,1,0,0,0,0|0,0,1]=2 121 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,1,0,0,0,0|0,0,0]=1 122 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,1,0,0,0,0|0,0,0]=1 123 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,1,0,0,0,0|0,0,0]=1 124 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,1,0,0,0,0|0,0,0]=1 125 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,1,0,0,0,0|1,0,1]=3 127 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,1,0,0,0,0|1,0,1]=3 128 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,1,0,0,0,0|1,0,1]=3 129 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,1,0,0,0,0|1,0,1]=3 130 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,1,0,0,0,0|1,0,1]=3 131 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,1,0,0,0,0|1,0,1]=3 133 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,1,0,0,0,0|0,0,2]=3 135 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,1,0,0,0,0|0,0,2]=3 136 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,1,0,0,0,0|0,0,2]=3 137 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,1,0,0,0,0|0,0,2]=3 138 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,1,0,0,0,0|0,0,2]=3 139 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,1,0,0,0,0|0,0,2]=3 140 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,1,0,0,0,0|0,0,2]=3 141 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,1,0,0,0,0|0,0,2]=3 142 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,1,0,0,0,0|0,0,1]=2 143 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,1,0,0,0,0|0,0,0]=1 144 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,1,0,0,0,0|0,0,0]=1 145 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,1,0,0,0,0|1,0,0]=2 146 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,1,0,0,0,0|1,0,0]=2 147 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,1,0,0,0,0|1,0,0]=2 148 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,1,0,0,0,0|1,0,0]=2 149 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,1,0,0,0,0|1,0,0]=2 150 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,1,0,0,0,0|1,0,0]=2 151 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,1,0,0,0,0|2,0,0]=3 152 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,1,0,0,0,0|2,0,0]=3 154 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,1,0,0,0,0|2,0,0]=3 155 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [0,1,0,0,0,0|3,0,0]=4 156 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,1,0,0,0,0|2,0,1]=4 159 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,1,0,0,0,0|1,0,1]=3 161 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,1,0,0,0,0|1,0,1]=3 162 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,1,0,0,0,0|0,0,2]=3 163 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,1,0,0,0,0|1,0,2]=4 164 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,1,0,0,0,0|0,0,0]=1 165 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,1,0,0,0,0|1,0,0]=2 166 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,1,0,0,0,0|1,0,0]=2 167 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,1,0,0,0,0|1,0,0]=2 168 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,1,0,0,0,0|1,0,0]=2 169 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,1,0,0,0,0|0,0,0]=1 170 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,1,0,0,0,0|0,0,0]=1 171 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,1,0,0,0,0|0,0,0]=1 172 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,1,0,0,0,0|0,0,2]=3 173 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,1,0,0,0,0|0,0,2]=3 174 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,1,0,0,0,0|0,0,2]=3 175 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,1,0,0,0,0|0,0,2]=3 176 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,1,0,0,0,0|0,0,2]=3 177 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,1,0,0,0,0|0,0,2]=3 178 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,1,0,0,0,0|0,0,2]=3 179 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,1,0,0,0,0|0,0,2]=3 180 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,1,0,0,0,0|0,0,2]=3 181 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,1,0,0,0,0|0,0,2]=3 182 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,1,0,0,0,0|0,0,2]=3 183 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,1,0,0,0,0|0,0,2]=3 184 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,1,0,0,0,0|0,0,2]=3 185 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,1,0,0,0,0|0,0,2]=3 186 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,1,0,0,0,0|1,0,1]=3 187 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,0,0,0,0|0,0,2]=3 188 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,0,0,0,0|0,0,2]=3 189 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,1,0,0,0,0|1,0,1]=3 190 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,0,0,0,0|1,0,1]=3 191 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,0,0,0,0|1,0,1]=3 192 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,0,0,0,0|1,0,1]=3 193 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,0,0,0,0|1,0,1]=3 194 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,0,0,0,0|1,0,1]=3 195 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,1,0,0,0,0|0,0,2]=3 198 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,1,0,0,0,0|0,0,2]=3 199 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,1,0,0,0,0|0,0,2]=3 200 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,1,0,0,0,0|1,0,1]=3 201 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,1,0,0,0,0|1,0,1]=3 202 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,1,0,0,0,0|1,0,1]=3 203 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,1,0,0,0,0|1,0,1]=3 204 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,1,0,0,0,0|1,0,1]=3 205 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,1,0,0,0,0|1,0,1]=3 206 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,1,0,0,0,0|1,0,1]=3 207 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,1,0,0,0,0|1,0,1]=3 208 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,1,0,0,0,0|1,0,0]=2 209 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,1,0,0,0,0|1,0,0]=2 210 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,1,0,0,0,0|1,0,0]=2 211 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,1,0,0,0,0|1,0,0]=2 212 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,1,0,0,0,0|1,0,0]=2 213 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,1,0,0,0,0|1,0,0]=2 214 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,1,0,0,0,0|1,0,2]=4 215 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,1,0,0,0,0|1,0,2]=4 216 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,1,0,0,0,0|1,0,1]=3 217 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,1,0,0,0,0|1,0,1]=3 218 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,1,0,0,0,0|1,0,1]=3 219 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,1,0,0,0,0|1,0,1]=3 220 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,1,0,0,0,0|1,0,1]=3 221 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,1,0,0,0,0|1,0,1]=3 222 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,1,0,0,0,0|1,0,1]=3 223 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,1,0,0,0,0|1,0,1]=3 224 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,1,0,0,0,0|1,0,1]=3 225 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,1,0,0,0,0|1,0,1]=3 226 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,1,0,0,0,0|1,0,1]=3 227 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,1,0,0,0,0|1,0,1]=3 228 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,1,0,0,0,0|1,0,1]=3 229 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,1,0,0,0,0|1,0,1]=3 230 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,1,0,0,0,0|1,0,1]=3 231 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,1,0,0,0,0|1,0,1]=3 232 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,1,0,0,0,0|1,0,1]=3 233 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,1,0,0,0,0|1,0,1]=3 234 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,1,0,0,0,0|1,0,1]=3 235 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,1,0,0,0,0|1,0,1]=3 236 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,1,0,0,0,0|1,0,1]=3 237 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,1,0,0,0,0|1,0,1]=3 238 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,1,0,0,0,0|1,0,1]=3 239 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,1,0,0,0,0|1,0,1]=3 240 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,1,0,0,0,0|2,0,1]=4 241 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,1,0,0,0,0|2,0,1]=4 242 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,1,0,0,0,0|2,0,1]=4 243 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,1,0,0,0,0|1,0,1]=3 245 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,1,0,0,0,0|1,0,1]=3 246 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,1,0,0,0,0|1,0,1]=3 247 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,1,0,0,0,0|1,0,1]=3 248 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,1,0,0,0,0|1,0,1]=3 249 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,1,0,0,0,0|1,0,1]=3 250 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,1,0,0,0,0|1,0,1]=3 251 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,1,0,0,0,0|1,0,2]=4 252 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,1,0,0,0,0|1,0,2]=4 253 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,1,0,0,0,0|1,0,0]=2 254 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,1,0,0,0,0|1,0,0]=2 255 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,1,0,0,0,0|1,0,0]=2 256 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,1,0,0,0,0|1,0,1]=3 257 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,1,0,0,0,0|1,0,1]=3 258 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,1,0,0,0,0|1,0,1]=3 259 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,1,0,0,0,0|0,0,2]=3 260 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,1,0,0,0,0|1,0,2]=4 261 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,1,0,0,0,0|1,0,2]=4 262 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,1,0,0,0,0|1,0,0]=2 263 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,1,0,0,0,0|1,0,0]=2 264 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,0,0,0,0|0,0,0]=1 265 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,1,0,0,0,0|1,0,0]=2 266 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,1,0,0,0,0|1,0,0]=2 267 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,1,0,0,0,0|1,0,0]=2 268 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,1,0,0,0,0|2,0,1]=4 269 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,1,0,0,0,0|1,0,0]=2 270 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,1,0,0,0,0|1,0,0]=2 271 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,1,0,0,0,0|1,0,0]=2 272 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,1,0,0,0,0|1,0,0]=2 273 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,1,0,0,0,0|0,0,0]=1 274 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,1,0,0,0,0|1,0,0]=2 275 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,1,0,0,0,0|1,0,0]=2 276 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,0,0,0,0|1,0,2]=4 277 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,0,0,0,0|1,0,2]=4 278 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,1,0,0,0,0|1,0,1]=3 280 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,1,0,0,0,0|1,0,1]=3 281 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,1,0,0,0,0|1,0,1]=3 282 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,1,0,0,0,0|0,0,2]=3 283 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,1,0,0,0,0|0,0,2]=3 284 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,1,0,0,0,0|0,0,2]=3 285 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,1,0,0,0,0|1,0,1]=3 286 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,1,0,0,0,0|1,0,1]=3 287 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,1,0,0,0,0|1,0,1]=3 288 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,1,0,0,0,0|1,0,1]=3 289 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,1,0,0,0,0|1,0,1]=3 290 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,1,0,0,0,0|0,0,2]=3 291 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,1,0,0,0,0|0,0,2]=3 292 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|1,0,2]=4 293 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|1,0,2]=4 294 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|1,0,2]=4 295 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|0,0,3]=4 296 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|0,0,3]=4 297 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,1,0,0,0,0|2,0,1]=4 298 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,1,0,0,0,0|2,0,1]=4 301 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,1,0,0,0,0|1,0,1]=3 304 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,1,0,0,0,0|2,0,0]=3 305 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,1,0,0,0,0|1,0,1]=3 306 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,1,0,0,0,0|1,0,1]=3 307 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,1,0,0,0,0|1,0,1]=3 308 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,1,0,0,0,0|1,0,1]=3 309 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,1,0,0,0,0|1,0,1]=3 310 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,1,0,0,0,0|1,0,1]=3 311 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,1,0,0,0,0|1,0,1]=3 312 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,1,0,0,0,0|1,0,1]=3 313 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,1,0,0,0,0|1,0,1]=3 314 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,1,0,0,0,0|2,0,1]=4 316 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,1,0,0,0,0|2,0,1]=4 319 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,1,0,0,0,0|2,0,1]=4 320 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,1,0,0,0,0|1,0,1]=3 321 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,1,0,0,0,0|1,0,1]=3 322 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,1,0,0,0,0|1,0,1]=3 323 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,1,0,0,0,0|1,0,1]=3 324 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,1,0,0,0,0|1,0,1]=3 325 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,1,0,0,0,0|2,0,1]=4 328 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,1,0,0,0,0|2,0,1]=4 329 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,1,0,0,0,0|2,0,1]=4 330 B6R0.8 C=CC(F)(F)SC 62a_100009814244_200000210301 [0,1,0,0,0,0|2,0,1]=4 331 B6R0.8 C=CC(F)(F)SC 62a_200000210301_100009814244 [0,1,0,0,0,0|2,0,1]=4 332 B6R0.8 C=CC(F)(F)S[13CH3] 62a_100009814244_200025704644 [0,1,0,0,0,0|2,0,1]=4 333 B6R0.8 C=CC(F)(F)S[13CH3] 62a_200025704644_100009814244 [0,1,0,0,0,0|2,0,1]=4 334 B6R0.8 CCS(=O)(=O)NC 270084a_100102657272_100000211323 [0,1,0,0,0,0|2,0,1]=4 335 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [0,1,0,0,0,0|2,0,1]=4 337 B6R0.9 C=CC(C=C)OC 34a_100000033096_200000210301 [0,1,0,0,0,0|2,0,1]=4 338 B6R0.9 C=CC(C=C)O[13CH3] 34a_100000033096_200025704644 [0,1,0,0,0,0|2,0,1]=4 339 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,1,0,0,0,0|0,0,2]=3 340 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,1,0,0,0,0|0,0,2]=3 341 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,1,0,0,0,0|0,0,2]=3 342 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,1,0,0,0,0|0,0,2]=3 343 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [0,1,0,0,0,0|1,0,2]=4 344 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [0,1,0,0,0,0|1,0,2]=4 345 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [0,1,0,0,0,0|1,0,2]=4 346 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [0,1,0,0,0,0|1,0,2]=4 347 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [0,1,0,0,0,0|2,0,1]=4 349 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [0,1,0,0,0,0|2,0,1]=4 350 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [0,1,0,0,0,0|2,0,1]=4 351 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [0,1,0,0,0,0|2,0,1]=4 352 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [0,1,0,0,0,0|2,0,1]=4 353 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [0,1,0,0,0,0|2,0,1]=4 354 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [0,0,0,1,0,0|2,0,1]=4 355 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [0,0,0,1,0,0|1,0,2]=4 356 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [0,0,0,1,0,0|1,0,2]=4 357 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [0,0,0,1,0,0|1,0,2]=4 358 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [0,0,0,1,0,0|1,0,2]=4 359 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [0,0,0,1,0,0|2,0,1]=4 360 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,1]=4 361 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 362 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,1]=4 363 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 364 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,1]=4 365 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,1]=4 366 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,1]=4 367 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,1]=4 368 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,1]=4 369 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,1]=4 370 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,1]=4 371 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,1]=4 372 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,0,1]=3 373 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,0,1]=3 374 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,1,0,0,0,0|0,0,2]=4 375 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,1,0,0,0,0|0,0,2]=4 376 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,1,0,0,0,0|0,0,2]=4 377 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,1,0,0,0,0|1,0,0]=3 378 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,1,0,0,0,0|1,0,0]=3 379 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,1,0,0,0,0|1,0,0]=3 380 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,1,0,0,0,0|1,0,0]=3 381 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,1,0,0,0,0|1,0,0]=3 382 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,1,0,0,0,0|1,0,0]=3 383 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,1,0,0,0,0|1,0,0]=3 384 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,1,0,0,0,0|1,0,0]=3 385 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,1,0,0,0,0|1,0,0]=3 386 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,1,0,0,0,0|1,0,0]=3 387 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,1,0,0,0,0|1,0,0]=3 388 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,1,0,0,0,0|1,0,0]=3 389 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,1,0,0,0,0|1,0,0]=3 390 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,1,0,0,0,0|1,0,0]=3 391 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,1,0,0,0,0|1,0,0]=3 392 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,1,0,0,0,0|1,0,0]=3 393 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,1,0,0,0,0|1,0,0]=3 394 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,1,0,0,0,0|1,0,0]=3 395 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,1,0,0,0,0|1,0,0]=3 396 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,1,0,0,0,0|1,0,0]=3 397 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,1,0,0,0,0|0,0,0]=2 398 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,1,0,0,0,0|0,0,0]=2 399 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,1,0,0,0,0|0,0,0]=2 400 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,1,0,0,0,0|2,0,0]=4 401 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,1,0,0,0,0|2,0,0]=4 402 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,1,0,0,0,0|2,0,0]=4 403 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,1,0,0,0,0|2,0,0]=4 404 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,1,0,0,0,0|2,0,0]=4 405 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,1,0,0,0,0|2,0,0]=4 406 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,1,0,0,0,0|0,0,2]=4 407 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,1,0,0,0,0|0,0,2]=4 408 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,1,0,0,0,0|0,0,0]=2 409 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,1,0,0,0,0|0,0,0]=2 410 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,1,0,0,0,0|0,0,0]=2 411 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,1,0,0,0,0|0,0,2]=4 412 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,1,0,0,0,0|0,0,2]=4 413 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,1,0,0,0,0|0,0,1]=3 414 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,1,0,0,0,0|0,0,1]=3 415 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,1,0,0,0,0|0,0,1]=3 416 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,1,0,0,0,0|0,0,1]=3 417 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,1,0,0,0,0|0,0,0]=2 418 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,1,0,0,0,0|0,0,0]=2 419 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,1,0,0,0,0|0,0,1]=3 420 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,1,0,0,0,0|0,0,1]=3 421 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,1,0,0,0,0|0,0,1]=3 422 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,1,0,0,0,0|0,0,1]=3 423 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,1,0,0,0,0|0,0,1]=3 424 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,1,0,0,0,0|0,0,1]=3 425 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,1,0,0,0,0|1,0,0]=3 426 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,1,0,0,0,0|1,0,0]=3 427 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,1,0,0,0,0|1,0,0]=3 428 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,1,0,0,0,0|1,0,0]=3 429 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,1,0,0,0,0|1,0,0]=3 430 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,1,0,0,0,0|1,0,0]=3 431 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [1,1,0,0,0,0|2,0,0]=4 432 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,1,0,0,0,0|1,0,1]=4 433 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,1,0,0,0,0|0,0,1]=3 434 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,1,0,0,0,0|0,0,1]=3 435 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,1,0,0,0,0|1,0,0]=3 436 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,1,0,0,0,0|0,0,1]=3 437 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,1,0,0,0,0|1,0,0]=3 438 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [1,1,0,0,0,0|2,0,0]=4 439 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,1,0,0,0,0|0,0,1]=3 440 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,1,0,0,0,0|1,0,0]=3 441 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,1,0,0,0,0|1,0,0]=3 442 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,1,0,0,0,0|0,0,1]=3 443 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,1,0,0,0,0|1,0,0]=3 444 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,1,0,0,0,0|1,0,0]=3 445 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [1,1,0,0,0,0|2,0,0]=4 446 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,1,0,0,0,0|0,0,0]=2 447 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,1,0,0,0,0|0,0,0]=2 448 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,1,0,0,0,0|0,0,0]=2 449 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,1,0,0,0,0|0,0,2]=4 450 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,1,0,0,0,0|0,0,1]=3 451 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,1,0,0,0,0|1,0,0]=3 452 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,1,0,0,0,0|1,0,0]=3 453 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,1,0,0,0,0|1,0,0]=3 454 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,1,0,0,0,0|1,0,0]=3 455 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,1,0,0,0,0|1,0,0]=3 456 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,1,0,0,0,0|1,0,0]=3 457 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [1,1,0,0,0,0|2,0,0]=4 458 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|0,0,0]=2 459 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|0,0,0]=2 460 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|0,0,1]=3 461 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|0,0,1]=3 462 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|0,0,1]=3 463 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|1,0,1]=4 464 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|1,0,1]=4 465 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|1,0,1]=4 466 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|1,0,1]=4 467 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|1,0,1]=4 468 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|0,0,1]=3 469 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|0,0,1]=3 470 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|0,0,1]=3 471 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|0,0,1]=3 472 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|0,0,1]=3 473 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|0,0,1]=3 474 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|1,0,1]=4 475 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|0,0,1]=3 476 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|0,0,1]=3 477 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|0,0,1]=3 478 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|0,0,1]=3 479 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|0,0,1]=3 480 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|0,0,1]=3 481 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|0,0,1]=3 482 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|0,0,1]=3 483 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|0,0,1]=3 484 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,1,0,0,0,0|0,0,1]=3 485 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,1,0,0,0,0|0,0,1]=3 486 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,1,0,0,0,0|0,0,1]=3 487 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,1,0,0,0,0|0,0,1]=3 488 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,1,0,0,0,0|0,0,1]=3 489 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,1,0,0,0,0|0,0,1]=3 490 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,1,0,0,0,0|0,0,1]=3 491 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,1,0,0,0,0|0,0,1]=3 492 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,1,0,0,0,0|0,0,1]=3 493 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,1,0,0,0,0|0,0,1]=3 494 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,1,0,0,0,0|0,0,1]=3 495 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,1,0,0,0,0|0,0,1]=3 496 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,1,0,0,0,0|0,0,1]=3 497 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,1,0,0,0,0|0,0,1]=3 498 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,1,0,0,0,0|0,0,1]=3 499 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,1,0,0,0,0|0,0,1]=3 500 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,1,0,0,0,0|1,0,1]=4 501 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,1,0,0,0,0|0,0,1]=3 502 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,1,0,0,0,0|0,0,1]=3 503 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,1,0,0,0,0|1,0,1]=4 504 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,1,0,0,0,0|1,0,1]=4 505 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|0,0,1]=3 506 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|0,0,1]=3 507 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|0,0,1]=3 508 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|0,0,1]=3 509 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|0,0,1]=3 510 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|0,0,1]=3 511 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|0,0,1]=3 512 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|0,0,1]=3 513 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,1,0,0,0,0|1,0,1]=4 514 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,1,0,0,0,0|1,0,1]=4 515 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,1,0,0,0,0|1,0,1]=4 516 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,1,0,0,0,0|1,0,1]=4 517 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,1,0,0,0,0|1,0,1]=4 518 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [0,2,0,0,0,0|0,0,2]=4 519 B7R0.2 C#CC(=O)CC(=C)F 1458a_100000211873_100009893438 [0,2,0,0,0,0|0,0,2]=4 520 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,2,0,0,0,0|0,0,2]=4 521 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,2,0,0,0,0|0,0,2]=4 522 B7R0.2 C#CC(=O)CC(F)F 1458a_100000211873_100011934356 [0,2,0,0,0,0|0,0,2]=4 523 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,2,0,0,0,0|0,0,0]=2 524 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,2,0,0,0,0|1,0,0]=3 525 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 526 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 527 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,2,0,0,0,0|2,0,0]=4 528 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 529 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 530 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,2,0,0,0,0|2,0,0]=4 531 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 532 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 533 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,2,0,0,0,0|0,0,0]=2 534 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,2,0,0,0,0|1,0,0]=3 535 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [0,2,0,0,0,0|2,0,0]=4 536 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [0,2,0,0,0,0|2,0,0]=4 537 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,2,0,0,0,0|0,0,0]=2 538 B7R0.2 C=CC(=O)CC(=C)F 1458a_100000185746_100009893438 [0,2,0,0,0,0|0,0,1]=3 539 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,2,0,0,0,0|0,0,1]=3 540 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [0,2,0,0,0,0|0,0,1]=3 541 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,2,0,0,0,0|0,0,0]=2 542 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,2,0,0,0,0|0,0,0]=2 543 B7R0.2 C=CC(=O)CC(F)F 1458a_100000185746_100011934356 [0,2,0,0,0,0|0,0,0]=2 544 B7R0.2 C=CC(=O)C[N+](=O)[O-] 1458a_100000185746_100000761209 [0,2,0,0,0,0|1,0,0]=3 545 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,2,0,0,0,0|0,0,0]=2 546 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,2,0,0,0,0|0,0,0]=2 547 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,2,0,0,0,0|1,0,1]=4 548 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,2,0,0,0,0|1,0,1]=4 549 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,2,0,0,0,0|1,0,1]=4 550 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,2,0,0,0,0|1,0,1]=4 551 B7R0.2 C=CC(O)CN(C)C 2230a_100102631434_100000730141 [0,2,0,0,0,0|0,0,2]=4 552 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,2,0,0,0,0|1,0,0]=3 553 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,2,0,0,0,0|1,0,0]=3 554 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [0,2,0,0,0,0|1,0,0]=3 555 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,2,0,0,0,0|1,0,1]=4 556 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,2,0,0,0,0|1,0,1]=4 557 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,2,0,0,0,0|1,0,1]=4 558 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,2,0,0,0,0|1,0,1]=4 559 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,2,0,0,0,0|1,0,1]=4 560 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,2,0,0,0,0|1,0,0]=3 561 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,2,0,0,0,0|1,0,0]=3 562 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,2,0,0,0,0|0,0,0]=2 563 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,2,0,0,0,0|0,0,0]=2 564 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,2,0,0,0,0|0,0,0]=2 565 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,2,0,0,0,0|0,0,0]=2 566 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,2,0,0,0,0|0,0,1]=3 567 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,2,0,0,0,0|0,0,1]=3 568 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,2,0,0,0,0|0,0,1]=3 569 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,2,0,0,0,0|0,0,1]=3 570 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,2,0,0,0,0|0,0,2]=4 571 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,2,0,0,0,0|0,0,2]=4 572 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,2,0,0,0,0|0,0,2]=4 573 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,2,0,0,0,0|0,0,2]=4 574 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,2,0,0,0,0|0,0,2]=4 575 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,2,0,0,0,0|0,0,2]=4 576 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,2,0,0,0,0|0,0,2]=4 577 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,2,0,0,0,0|1,0,1]=4 578 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,2,0,0,0,0|0,0,2]=4 579 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,2,0,0,0,0|0,0,2]=4 580 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,2,0,0,0,0|0,0,2]=4 581 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,2,0,0,0,0|0,0,2]=4 582 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,2,0,0,0,0|0,0,2]=4 583 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,2,0,0,0,0|1,0,1]=4 584 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,2,0,0,0,0|1,0,0]=3 585 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,2,0,0,0,0|1,0,0]=3 586 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,2,0,0,0,0|1,0,0]=3 587 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,2,0,0,0,0|1,0,0]=3 588 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,2,0,0,0,0|1,0,0]=3 589 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,2,0,0,0,0|1,0,0]=3 590 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,2,0,0,0,0|1,0,0]=3 591 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,2,0,0,0,0|1,0,0]=3 592 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,2,0,0,0,0|1,0,0]=3 593 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,2,0,0,0,0|1,0,0]=3 594 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,2,0,0,0,0|1,0,1]=4 595 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,2,0,0,0,0|1,0,1]=4 597 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,2,0,0,0,0|1,0,1]=4 599 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,2,0,0,0,0|1,0,1]=4 602 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,2,0,0,0,0|1,0,1]=4 603 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,2,0,0,0,0|1,0,1]=4 604 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,2,0,0,0,0|1,0,1]=4 605 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,2,0,0,0,0|1,0,1]=4 606 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,2,0,0,0,0|1,0,1]=4 608 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,2,0,0,0,0|1,0,1]=4 609 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,2,0,0,0,0|1,0,1]=4 610 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,2,0,0,0,0|1,0,1]=4 611 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,2,0,0,0,0|1,0,1]=4 612 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,2,0,0,0,0|1,0,1]=4 613 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,2,0,0,0,0|1,0,1]=4 614 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,2,0,0,0,0|1,0,1]=4 615 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,2,0,0,0,0|1,0,1]=4 616 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,2,0,0,0,0|1,0,1]=4 617 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,2,0,0,0,0|1,0,1]=4 618 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,2,0,0,0,0|1,0,1]=4 619 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,2,0,0,0,0|1,0,1]=4 620 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,2,0,0,0,0|1,0,1]=4 621 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,2,0,0,0,0|1,0,1]=4 622 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,2,0,0,0,0|1,0,1]=4 623 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,2,0,0,0,0|1,0,1]=4 624 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,2,0,0,0,0|1,0,1]=4 625 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,2,0,0,0,0|1,0,1]=4 626 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,2,0,0,0,0|1,0,1]=4 627 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,2,0,0,0,0|1,0,1]=4 628 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,2,0,0,0,0|1,0,1]=4 629 B7R0.2 O=C(C=C(Cl)Cl)CF 1458a_100000137448_100015361967 [0,2,0,0,0,0|1,0,0]=3 630 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [0,2,0,0,0,0|1,0,1]=4 631 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,2,0,0,0,0|1,0,1]=4 632 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,2,0,0,0,0|0,0,2]=4 633 B7R0.3 C#CC(=O)CC#CC 1458a_100000211873_100000748600 [0,2,0,0,0,0|0,0,2]=4 634 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,2,0,0,0,0|0,0,2]=4 635 B7R0.3 C#CC(=O)CCC#N 1458a_100000211873_100011215226 [0,2,0,0,0,0|0,0,2]=4 636 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [0,2,0,0,0,0|0,0,2]=4 637 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,2,0,0,0,0|0,0,2]=4 638 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,2,0,0,0,0|0,0,2]=4 639 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,2,0,0,0,0|0,0,2]=4 640 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,2,0,0,0,0|0,0,2]=4 641 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,2,0,0,0,0|0,0,2]=4 642 B7R0.3 C#CCCC(=O)C#C 1458a_100000211873_100000753159 [0,2,0,0,0,0|0,0,2]=4 643 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,2,0,0,0,0|0,0,0]=2 644 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,2,0,0,0,0|0,0,2]=4 645 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,2,0,0,0,0|0,0,2]=4 646 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,2,0,0,0,0|1,0,1]=4 647 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,2,0,0,0,0|1,0,1]=4 648 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,2,0,0,0,0|1,0,1]=4 649 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,2,0,0,0,0|1,0,1]=4 650 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,2,0,0,0,0|1,0,1]=4 651 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,2,0,0,0,0|1,0,1]=4 652 B7R0.3 C#CCNC(=O)C=C 1626a_100000212058_100000185746 [0,2,0,0,0,0|0,0,1]=3 653 B7R0.3 C#CCNC(=O)C=C 240690a_100000212058_200121576911 [0,2,0,0,0,0|0,0,1]=3 654 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,2,0,0,0,0|0,0,2]=4 655 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,2,0,0,0,0|0,0,2]=4 656 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,2,0,0,0,0|0,0,2]=4 657 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,2,0,0,0,0|0,0,2]=4 658 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,2,0,0,0,0|0,0,0]=2 659 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,2,0,0,0,0|1,0,0]=3 660 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [0,2,0,0,0,0|2,0,0]=4 661 B7R0.3 C=CC(=NNCC)C 4a_100000756455_200015361842 [0,2,0,0,0,0|1,0,0]=3 662 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,2,0,0,0,0|0,0,0]=2 663 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [0,2,0,0,0,0|0,0,0]=2 664 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,2,0,0,0,0|0,0,0]=2 665 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,2,0,0,0,0|0,0,0]=2 666 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,2,0,0,0,0|0,0,0]=2 667 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,2,0,0,0,0|0,0,0]=2 668 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,2,0,0,0,0|0,0,0]=2 669 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,2,0,0,0,0|0,0,0]=2 670 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,2,0,0,0,0|0,0,0]=2 671 B7R0.3 C=CC(=O)NCC#N 1626a_100000734998_100000185746 [0,2,0,0,0,0|0,0,1]=3 672 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,2,0,0,0,0|0,0,0]=2 673 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,2,0,0,0,0|0,0,0]=2 674 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,2,0,0,0,0|0,0,0]=2 675 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,2,0,0,0,0|0,0,0]=2 676 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,2,0,0,0,0|0,0,0]=2 677 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [0,2,0,0,0,0|0,0,0]=2 678 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,2,0,0,0,0|1,0,1]=4 679 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,2,0,0,0,0|1,0,1]=4 680 B7R0.3 C=CC(C)COCF 34a_100011215527_100015361967 [0,2,0,0,0,0|1,0,1]=4 681 B7R0.3 C=CC(C)COCF 7a_100011215527_100015361967 [0,2,0,0,0,0|1,0,1]=4 682 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,2,0,0,0,0|1,0,1]=4 683 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [0,2,0,0,0,0|1,0,1]=4 684 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,2,0,0,0,0|1,0,1]=4 685 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [0,2,0,0,0,0|1,0,1]=4 686 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,2,0,0,0,0|1,0,1]=4 687 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [0,2,0,0,0,0|1,0,1]=4 688 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,2,0,0,0,0|1,0,1]=4 689 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [0,2,0,0,0,0|1,0,1]=4 690 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [0,2,0,0,0,0|1,0,1]=4 691 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,2,0,0,0,0|0,0,2]=4 692 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,2,0,0,0,0|0,0,2]=4 693 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,2,0,0,0,0|0,0,2]=4 694 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,2,0,0,0,0|0,0,2]=4 695 B7R0.3 C=CC(O)CSCF 62a_100000730141_100015361967 [0,2,0,0,0,0|0,0,2]=4 696 B7R0.3 C=CC(O)CSCF 62a_100015361967_100000730141 [0,2,0,0,0,0|0,0,2]=4 697 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,2,0,0,0,0|0,0,0]=2 698 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [0,2,0,0,0,0|1,0,0]=3 699 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [0,2,0,0,0,0|1,0,0]=3 700 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,2,0,0,0,0|0,0,0]=2 701 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,2,0,0,0,0|0,0,0]=2 702 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,2,0,0,0,0|0,0,0]=2 703 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,2,0,0,0,0|1,0,0]=3 704 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,2,0,0,0,0|1,0,0]=3 705 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,2,0,0,0,0|1,0,0]=3 706 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,2,0,0,0,0|1,0,0]=3 707 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,2,0,0,0,0|1,0,0]=3 708 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,2,0,0,0,0|1,0,0]=3 709 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [0,2,0,0,0,0|2,0,0]=4 710 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [0,2,0,0,0,0|2,0,0]=4 711 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [0,2,0,0,0,0|2,0,0]=4 712 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [0,2,0,0,0,0|2,0,0]=4 713 B7R0.3 C=CCNC(=O)C=C 1626a_100020586998_100000185746 [0,2,0,0,0,0|0,0,1]=3 714 B7R0.3 C=CCNC(=O)C=C 240690a_100020586998_200121576911 [0,2,0,0,0,0|0,0,1]=3 715 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,2,0,0,0,0|0,0,0]=2 716 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,2,0,0,0,0|0,0,0]=2 717 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,2,0,0,0,0|0,0,0]=2 718 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,2,0,0,0,0|1,0,0]=3 719 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,2,0,0,0,0|1,0,0]=3 720 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,2,0,0,0,0|1,0,0]=3 721 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,2,0,0,0,0|1,0,0]=3 722 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,2,0,0,0,0|1,0,0]=3 723 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,2,0,0,0,0|1,0,0]=3 724 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,2,0,0,0,0|1,0,0]=3 725 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,2,0,0,0,0|1,0,1]=4 726 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,2,0,0,0,0|1,0,1]=4 727 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,2,0,0,0,0|1,0,1]=4 728 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,2,0,0,0,0|1,0,1]=4 729 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,2,0,0,0,0|1,0,1]=4 730 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,2,0,0,0,0|1,0,1]=4 731 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [0,2,0,0,0,0|1,0,1]=4 732 B7R0.3 C=C[C@H](N)COCF 34a_100016989147_100015361967 [0,2,0,0,0,0|1,0,1]=4 733 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,2,0,0,0,0|0,0,2]=4 734 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,2,0,0,0,0|1,0,1]=4 735 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,2,0,0,0,0|0,0,0]=2 736 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,2,0,0,0,0|0,0,0]=2 737 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,2,0,0,0,0|1,0,0]=3 738 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,2,0,0,0,0|1,0,0]=3 739 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,2,0,0,0,0|1,0,0]=3 740 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,2,0,0,0,0|1,0,0]=3 741 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,2,0,0,0,0|1,0,0]=3 742 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,2,0,0,0,0|1,0,0]=3 743 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [0,2,0,0,0,0|2,0,0]=4 744 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,2,0,0,0,0|0,0,1]=3 745 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,2,0,0,0,0|0,0,2]=4 746 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,2,0,0,0,0|1,0,1]=4 747 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,2,0,0,0,0|0,0,2]=4 748 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,2,0,0,0,0|0,0,0]=2 749 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,2,0,0,0,0|0,0,2]=4 750 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,2,0,0,0,0|0,0,2]=4 751 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,2,0,0,0,0|0,0,2]=4 752 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,2,0,0,0,0|0,0,2]=4 753 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,2,0,0,0,0|0,0,2]=4 754 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,2,0,0,0,0|0,0,2]=4 755 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,2,0,0,0,0|0,0,2]=4 756 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,2,0,0,0,0|0,0,2]=4 757 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,2,0,0,0,0|0,0,2]=4 758 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,2,0,0,0,0|0,0,2]=4 759 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,2,0,0,0,0|0,0,2]=4 760 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,2,0,0,0,0|0,0,2]=4 761 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,2,0,0,0,0|0,0,2]=4 762 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,2,0,0,0,0|0,0,2]=4 763 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,2,0,0,0,0|0,0,2]=4 764 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,2,0,0,0,0|0,0,2]=4 765 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,2,0,0,0,0|0,0,2]=4 766 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,2,0,0,0,0|0,0,2]=4 767 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,2,0,0,0,0|0,0,2]=4 768 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,2,0,0,0,0|0,0,0]=2 769 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,2,0,0,0,0|1,0,0]=3 770 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,2,0,0,0,0|1,0,0]=3 771 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,2,0,0,0,0|1,0,0]=3 772 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,2,0,0,0,0|1,0,0]=3 773 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,2,0,0,0,0|0,0,2]=4 774 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,2,0,0,0,0|0,0,2]=4 775 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,2,0,0,0,0|1,0,1]=4 776 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,2,0,0,0,0|1,0,1]=4 777 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,2,0,0,0,0|1,0,1]=4 778 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,2,0,0,0,0|1,0,1]=4 779 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,2,0,0,0,0|1,0,1]=4 780 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,2,0,0,0,0|1,0,1]=4 781 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,2,0,0,0,0|0,0,2]=4 782 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,2,0,0,0,0|0,0,2]=4 783 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,2,0,0,0,0|0,0,2]=4 784 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,2,0,0,0,0|0,0,2]=4 785 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,2,0,0,0,0|1,0,1]=4 786 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,2,0,0,0,0|1,0,1]=4 787 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,2,0,0,0,0|1,0,1]=4 788 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,2,0,0,0,0|1,0,1]=4 789 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,2,0,0,0,0|1,0,1]=4 790 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,2,0,0,0,0|1,0,1]=4 791 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,2,0,0,0,0|1,0,1]=4 792 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,2,0,0,0,0|1,0,1]=4 793 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,2,0,0,0,0|1,0,1]=4 794 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,2,0,0,0,0|1,0,1]=4 795 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,2,0,0,0,0|1,0,1]=4 796 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,2,0,0,0,0|0,0,2]=4 797 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,2,0,0,0,0|1,0,1]=4 798 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,2,0,0,0,0|1,0,1]=4 799 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,2,0,0,0,0|1,0,1]=4 800 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,2,0,0,0,0|1,0,1]=4 801 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,2,0,0,0,0|0,0,2]=4 802 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,2,0,0,0,0|0,0,2]=4 803 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,2,0,0,0,0|1,0,1]=4 804 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,2,0,0,0,0|1,0,1]=4 805 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,2,0,0,0,0|1,0,1]=4 806 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,2,0,0,0,0|1,0,1]=4 807 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,2,0,0,0,0|1,0,1]=4 808 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,2,0,0,0,0|1,0,1]=4 809 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,2,0,0,0,0|1,0,1]=4 810 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,2,0,0,0,0|1,0,1]=4 811 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,2,0,0,0,0|0,0,2]=4 812 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,2,0,0,0,0|0,0,2]=4 813 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,2,0,0,0,0|0,0,2]=4 814 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,2,0,0,0,0|1,0,1]=4 815 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,2,0,0,0,0|1,0,1]=4 816 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,2,0,0,0,0|1,0,1]=4 817 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,2,0,0,0,0|1,0,1]=4 818 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,2,0,0,0,0|1,0,1]=4 819 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,2,0,0,0,0|1,0,1]=4 820 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,2,0,0,0,0|1,0,1]=4 821 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,2,0,0,0,0|1,0,1]=4 822 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,2,0,0,0,0|1,0,1]=4 823 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,2,0,0,0,0|1,0,0]=3 824 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,2,0,0,0,0|1,0,0]=3 825 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,2,0,0,0,0|1,0,1]=4 826 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,2,0,0,0,0|1,0,1]=4 827 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,2,0,0,0,0|1,0,1]=4 828 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,2,0,0,0,0|1,0,1]=4 829 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,2,0,0,0,0|1,0,1]=4 830 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,2,0,0,0,0|1,0,1]=4 831 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,2,0,0,0,0|1,0,1]=4 832 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,2,0,0,0,0|1,0,1]=4 833 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,2,0,0,0,0|1,0,1]=4 834 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,2,0,0,0,0|1,0,1]=4 835 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,2,0,0,0,0|1,0,1]=4 836 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,2,0,0,0,0|1,0,1]=4 837 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,2,0,0,0,0|1,0,1]=4 838 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,2,0,0,0,0|1,0,1]=4 839 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,2,0,0,0,0|1,0,1]=4 840 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,2,0,0,0,0|1,0,1]=4 841 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,2,0,0,0,0|1,0,1]=4 842 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,2,0,0,0,0|1,0,1]=4 843 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,2,0,0,0,0|1,0,1]=4 844 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,2,0,0,0,0|1,0,1]=4 845 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,2,0,0,0,0|1,0,1]=4 846 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,2,0,0,0,0|1,0,1]=4 847 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,2,0,0,0,0|1,0,1]=4 848 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,2,0,0,0,0|1,0,1]=4 849 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,2,0,0,0,0|1,0,1]=4 850 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,2,0,0,0,0|1,0,1]=4 851 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,2,0,0,0,0|1,0,1]=4 852 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,2,0,0,0,0|1,0,1]=4 853 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,2,0,0,0,0|1,0,1]=4 854 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,2,0,0,0,0|1,0,1]=4 855 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,2,0,0,0,0|1,0,1]=4 856 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,2,0,0,0,0|1,0,1]=4 857 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,2,0,0,0,0|1,0,1]=4 858 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,2,0,0,0,0|1,0,1]=4 859 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,2,0,0,0,0|1,0,1]=4 860 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,2,0,0,0,0|1,0,1]=4 861 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,2,0,0,0,0|1,0,1]=4 862 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,2,0,0,0,0|1,0,1]=4 863 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,2,0,0,0,0|1,0,1]=4 864 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,2,0,0,0,0|1,0,1]=4 865 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,2,0,0,0,0|1,0,1]=4 866 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,2,0,0,0,0|1,0,1]=4 867 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,2,0,0,0,0|1,0,1]=4 868 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,2,0,0,0,0|1,0,1]=4 869 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,2,0,0,0,0|1,0,1]=4 870 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,2,0,0,0,0|1,0,1]=4 871 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,2,0,0,0,0|1,0,1]=4 872 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,2,0,0,0,0|1,0,1]=4 873 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [0,2,0,0,0,0|1,0,0]=3 874 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,2,0,0,0,0|1,0,1]=4 875 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,2,0,0,0,0|1,0,1]=4 876 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,2,0,0,0,0|1,0,1]=4 877 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,2,0,0,0,0|1,0,1]=4 878 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,2,0,0,0,0|1,0,1]=4 879 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,2,0,0,0,0|1,0,1]=4 880 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,2,0,0,0,0|1,0,1]=4 881 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,2,0,0,0,0|1,0,1]=4 882 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,2,0,0,0,0|1,0,1]=4 883 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,2,0,0,0,0|1,0,1]=4 884 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,2,0,0,0,0|1,0,1]=4 885 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,2,0,0,0,0|1,0,1]=4 886 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,2,0,0,0,0|1,0,1]=4 887 B7R0.5 C#CCC(=O)C(=C)C 1458a_100000185857_100000184674 [0,2,0,0,0,0|0,0,1]=3 888 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,2,0,0,0,0|0,0,2]=4 889 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,2,0,0,0,0|0,0,2]=4 890 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [0,2,0,0,0,0|0,0,2]=4 891 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [0,2,0,0,0,0|0,0,2]=4 892 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [0,2,0,0,0,0|0,0,2]=4 893 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,2,0,0,0,0|0,0,0]=2 894 B7R0.5 C=C(C)C(=O)CC#N 1458a_100000185857_100011214920 [0,2,0,0,0,0|0,0,1]=3 895 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,2,0,0,0,0|0,0,0]=2 896 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,2,0,0,0,0|0,0,0]=2 897 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,2,0,0,0,0|0,0,0]=2 898 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,2,0,0,0,0|0,0,0]=2 899 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,2,0,0,0,0|1,0,0]=3 900 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,2,0,0,0,0|1,0,1]=4 901 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,2,0,0,0,0|0,0,0]=2 902 B7R0.5 C=C(Cl)C(=O)NNC 22a_100016993582_100000039160 [0,2,0,0,0,0|1,0,0]=3 903 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,2,0,0,0,0|0,0,0]=2 904 B7R0.5 C=C(F)C(=O)NNC 22a_100016993582_100000036797 [0,2,0,0,0,0|1,0,0]=3 905 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,2,0,0,0,0|0,0,1]=3 906 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,2,0,0,0,0|0,0,0]=2 907 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,2,0,0,0,0|0,0,0]=2 908 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,2,0,0,0,0|0,0,0]=2 909 B7R0.5 C=CCC(=O)C(O)O 1458a_100000233687_100000210623 [0,2,0,0,0,0|1,0,0]=3 910 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,2,0,0,0,0|1,0,0]=3 911 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,2,0,0,0,0|1,0,0]=3 912 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,2,0,0,0,0|1,0,0]=3 913 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,2,0,0,0,0|1,0,0]=3 914 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,2,0,0,0,0|0,0,0]=2 915 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,2,0,0,0,0|0,0,0]=2 916 B7R0.5 C=CCN(C)C(C)C 2230a_100000225617_100000210206 [0,2,0,0,0,0|2,0,0]=4 917 B7R0.5 C=CCN(C)C(C)C 2230a_100000742772_200000210301 [0,2,0,0,0,0|2,0,0]=4 918 B7R0.5 C=CCN(C)C(C)C 269982a_100000225617_100000210206 [0,2,0,0,0,0|2,0,0]=4 919 B7R0.5 C=CCN(C)C(C)C 269982a_100000742772_200000210301 [0,2,0,0,0,0|2,0,0]=4 920 B7R0.5 C=CCN(C)C(C)C 269982a_200000211004_100000210623 [0,2,0,0,0,0|2,0,0]=4 921 B7R0.5 C=CCN([13CH3])C(C)C 2230a_100000742772_200025704644 [0,2,0,0,0,0|2,0,0]=4 922 B7R0.5 C=CCN([13CH3])C(C)C 269982a_100000742772_200025704644 [0,2,0,0,0,0|2,0,0]=4 923 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,2,0,0,0,0|0,0,2]=4 924 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,2,0,0,0,0|0,0,1]=3 925 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,2,0,0,0,0|0,0,1]=3 926 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,2,0,0,0,0|0,0,0]=2 927 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,2,0,0,0,0|0,0,0]=2 928 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,2,0,0,0,0|0,0,0]=2 929 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,2,0,0,0,0|0,0,2]=4 930 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,2,0,0,0,0|0,0,2]=4 931 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,2,0,0,0,0|0,0,2]=4 932 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,2,0,0,0,0|0,0,2]=4 933 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,2,0,0,0,0|0,0,2]=4 934 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,2,0,0,0,0|0,0,2]=4 935 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,2,0,0,0,0|0,0,2]=4 936 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [0,2,0,0,0,0|0,0,2]=4 937 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,2,0,0,0,0|0,0,2]=4 938 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,2,0,0,0,0|0,0,2]=4 939 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,2,0,0,0,0|1,0,1]=4 940 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,2,0,0,0,0|1,0,1]=4 941 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,2,0,0,0,0|0,0,0]=2 942 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,2,0,0,0,0|1,0,0]=3 943 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,2,0,0,0,0|1,0,0]=3 944 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,2,0,0,0,0|1,0,0]=3 945 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,2,0,0,0,0|0,0,2]=4 946 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,2,0,0,0,0|0,0,2]=4 947 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,2,0,0,0,0|0,0,2]=4 948 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,2,0,0,0,0|1,0,1]=4 949 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,2,0,0,0,0|1,0,1]=4 950 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,2,0,0,0,0|1,0,1]=4 951 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,2,0,0,0,0|1,0,1]=4 952 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,2,0,0,0,0|1,0,1]=4 953 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,2,0,0,0,0|0,0,2]=4 954 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,2,0,0,0,0|0,0,2]=4 955 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,2,0,0,0,0|0,0,1]=3 956 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,2,0,0,0,0|1,0,0]=3 957 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,2,0,0,0,0|0,0,1]=3 958 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,2,0,0,0,0|0,0,2]=4 959 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,2,0,0,0,0|0,0,2]=4 960 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,2,0,0,0,0|0,0,2]=4 961 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,2,0,0,0,0|0,0,2]=4 962 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,2,0,0,0,0|0,0,2]=4 963 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,2,0,0,0,0|0,0,2]=4 964 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,2,0,0,0,0|1,0,1]=4 965 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,2,0,0,0,0|1,0,1]=4 966 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,2,0,0,0,0|1,0,1]=4 967 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,2,0,0,0,0|1,0,1]=4 968 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,2,0,0,0,0|1,0,1]=4 969 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,2,0,0,0,0|0,0,2]=4 970 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,2,0,0,0,0|0,0,2]=4 971 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [0,2,0,0,0,0|1,0,0]=3 972 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [0,2,0,0,0,0|1,0,0]=3 973 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [0,2,0,0,0,0|1,0,0]=3 974 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [0,2,0,0,0,0|1,0,0]=3 975 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [0,2,0,0,0,0|1,0,0]=3 976 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [0,2,0,0,0,0|1,0,0]=3 977 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,2,0,0,0,0|1,0,1]=4 978 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,2,0,0,0,0|1,0,1]=4 979 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,2,0,0,0,0|1,0,1]=4 980 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,2,0,0,0,0|1,0,1]=4 981 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,2,0,0,0,0|0,0,1]=3 982 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,2,0,0,0,0|0,0,2]=4 983 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,2,0,0,0,0|0,0,2]=4 984 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,2,0,0,0,0|0,0,2]=4 985 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,2,0,0,0,0|1,0,1]=4 986 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,2,0,0,0,0|1,0,1]=4 987 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,2,0,0,0,0|1,0,1]=4 988 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,2,0,0,0,0|1,0,1]=4 989 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,2,0,0,0,0|2,0,0]=4 990 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,2,0,0,0,0|1,0,1]=4 991 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,2,0,0,0,0|1,0,1]=4 992 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,2,0,0,0,0|1,0,1]=4 993 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,2,0,0,0,0|1,0,1]=4 994 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,2,0,0,0,0|0,0,1]=3 995 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,2,0,0,0,0|0,0,2]=4 996 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,2,0,0,0,0|0,0,2]=4 997 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,2,0,0,0,0|1,0,1]=4 998 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,2,0,0,0,0|1,0,1]=4 999 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,2,0,0,0,0|1,0,1]=4 1000 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,2,0,0,0,0|1,0,1]=4 1001 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,2,0,0,0,0|1,0,1]=4 1002 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,2,0,0,0,0|0,0,1]=3 1003 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,2,0,0,0,0|0,0,1]=3 1004 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,2,0,0,0,0|0,0,2]=4 1005 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,2,0,0,0,0|0,0,2]=4 1006 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,2,0,0,0,0|0,0,2]=4 1007 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,2,0,0,0,0|1,0,1]=4 1008 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,2,0,0,0,0|1,0,1]=4 1009 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,2,0,0,0,0|1,0,1]=4 1010 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,2,0,0,0,0|1,0,1]=4 1011 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,2,0,0,0,0|1,0,1]=4 1012 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,2,0,0,0,0|1,0,1]=4 1013 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [0,2,0,0,0,0|0,0,2]=4 1014 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,2,0,0,0,0|0,0,2]=4 1015 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,2,0,0,0,0|0,0,2]=4 1016 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [0,2,0,0,0,0|0,0,2]=4 1017 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,2,0,0,0,0|0,0,2]=4 1018 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,2,0,0,0,0|0,0,2]=4 1019 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [0,2,0,0,0,0|1,0,1]=4 1020 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,2,0,0,0,0|1,0,1]=4 1021 B7R0.7 C#CCC(=O)C=CBr 1458a_100016273825_100000184674 [0,2,0,0,0,0|0,0,1]=3 1022 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,2,0,0,0,0|0,0,1]=3 1023 B7R0.7 C#CCC(=O)C=CCl 1458a_200016279998_100000184674 [0,2,0,0,0,0|0,0,1]=3 1024 B7R0.7 C#CCC(=O)C=CI 1458a_100016256311_100000184674 [0,2,0,0,0,0|0,0,1]=3 1025 B7R0.7 C#CCC(=O)CC=C 1458a_100000210193_100000184674 [0,2,0,0,0,0|0,0,1]=3 1026 B7R0.7 C#CCC(=O)CC=C 1458a_100011220946_100000210623 [0,2,0,0,0,0|0,0,1]=3 1027 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,2,0,0,0,0|0,0,2]=4 1028 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,2,0,0,0,0|0,0,2]=4 1029 B7R0.7 C#CCC(=O)CCF 1458a_100011220946_100011217306 [0,2,0,0,0,0|0,0,2]=4 1030 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [0,2,0,0,0,0|0,0,2]=4 1031 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,2,0,0,0,0|0,0,2]=4 1032 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,2,0,0,0,0|0,0,2]=4 1033 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [0,2,0,0,0,0|0,0,2]=4 1034 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,2,0,0,0,0|0,0,2]=4 1035 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,2,0,0,0,0|1,0,1]=4 1036 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [0,2,0,0,0,0|0,0,1]=3 1037 B7R0.7 C=CCC(=O)C=CBr 1458a_100016273825_100000210623 [0,2,0,0,0,0|0,0,1]=3 1038 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,2,0,0,0,0|0,0,1]=3 1039 B7R0.7 C=CCC(=O)C=CCl 1458a_200016279998_100000210623 [0,2,0,0,0,0|0,0,1]=3 1040 B7R0.7 C=CCC(=O)C=CI 1458a_100016256311_100000210623 [0,2,0,0,0,0|0,0,1]=3 1041 B7R0.7 C=CCC(=O)CC#N 1458a_100000210193_100011214920 [0,2,0,0,0,0|0,0,1]=3 1042 B7R0.7 C=CCC(=O)CC#N 1458a_100051588842_100000210623 [0,2,0,0,0,0|0,0,1]=3 1043 B7R0.7 C=CCC(=O)CC=C 1458a_100000210193_100000210623 [0,2,0,0,0,0|0,0,1]=3 1044 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,2,0,0,0,0|0,0,0]=2 1045 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,2,0,0,0,0|0,0,0]=2 1046 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,2,0,0,0,0|0,0,0]=2 1047 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,2,0,0,0,0|0,0,0]=2 1048 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,2,0,0,0,0|0,0,0]=2 1049 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,2,0,0,0,0|0,0,0]=2 1050 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,2,0,0,0,0|0,0,0]=2 1051 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,2,0,0,0,0|0,0,0]=2 1052 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,2,0,0,0,0|0,0,0]=2 1053 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,2,0,0,0,0|0,0,0]=2 1054 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,2,0,0,0,0|1,0,0]=3 1055 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,2,0,0,0,0|1,0,1]=4 1056 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,2,0,0,0,0|1,0,1]=4 1057 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,2,0,0,0,0|1,0,1]=4 1058 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,2,0,0,0,0|1,0,1]=4 1059 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,2,0,0,0,0|2,0,0]=4 1060 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,2,0,0,0,0|2,0,0]=4 1061 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,2,0,0,0,0|2,0,0]=4 1062 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,2,0,0,0,0|2,0,0]=4 1063 B7R0.7 C=CCN(C)CCF 2230a_100000225617_100011217306 [0,2,0,0,0,0|2,0,0]=4 1064 B7R0.7 C=CCN(C)CCF 269982a_100000225617_100011217306 [0,2,0,0,0,0|2,0,0]=4 1065 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,2,0,0,0,0|2,0,0]=4 1066 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,2,0,0,0,0|2,0,0]=4 1067 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,2,0,0,0,0|2,0,0]=4 1068 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,2,0,0,0,0|2,0,0]=4 1069 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [0,2,0,0,0,0|2,0,0]=4 1070 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [0,2,0,0,0,0|2,0,0]=4 1071 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [0,2,0,0,0,0|2,0,0]=4 1072 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [0,2,0,0,0,0|2,0,0]=4 1073 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,2,0,0,0,0|1,0,1]=4 1074 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,2,0,0,0,0|1,0,1]=4 1075 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,2,0,0,0,0|1,0,1]=4 1076 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,2,0,0,0,0|1,0,1]=4 1077 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,2,0,0,0,0|0,0,0]=2 1078 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,2,0,0,0,0|0,0,0]=2 1079 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,2,0,0,0,0|0,0,0]=2 1080 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,2,0,0,0,0|0,0,0]=2 1081 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,2,0,0,0,0|0,0,0]=2 1082 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,2,0,0,0,0|0,0,0]=2 1083 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,2,0,0,0,0|0,0,0]=2 1084 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,2,0,0,0,0|0,0,2]=4 1085 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,2,0,0,0,0|0,0,2]=4 1086 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,2,0,0,0,0|0,0,2]=4 1087 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,2,0,0,0,0|0,0,1]=3 1088 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,2,0,0,0,0|0,0,0]=2 1089 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,2,0,0,0,0|0,0,0]=2 1090 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,2,0,0,0,0|0,0,0]=2 1091 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,2,0,0,0,0|0,0,0]=2 1092 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,2,0,0,0,0|0,0,0]=2 1093 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,2,0,0,0,0|1,0,0]=3 1094 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,2,0,0,0,0|0,0,0]=2 1095 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,2,0,0,0,0|0,0,0]=2 1096 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,2,0,0,0,0|0,0,0]=2 1097 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,2,0,0,0,0|0,0,2]=4 1098 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,2,0,0,0,0|0,0,2]=4 1099 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,2,0,0,0,0|0,0,2]=4 1100 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,2,0,0,0,0|0,0,2]=4 1101 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,2,0,0,0,0|0,0,2]=4 1102 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,2,0,0,0,0|0,0,2]=4 1103 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,2,0,0,0,0|0,0,2]=4 1104 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,2,0,0,0,0|0,0,2]=4 1105 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,2,0,0,0,0|0,0,2]=4 1106 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,2,0,0,0,0|0,0,2]=4 1107 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,2,0,0,0,0|0,0,2]=4 1108 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,2,0,0,0,0|0,0,2]=4 1109 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,2,0,0,0,0|0,0,2]=4 1110 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,2,0,0,0,0|0,0,2]=4 1111 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,2,0,0,0,0|0,0,2]=4 1112 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,2,0,0,0,0|0,0,2]=4 1113 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,2,0,0,0,0|0,0,2]=4 1114 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,2,0,0,0,0|1,0,1]=4 1115 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,2,0,0,0,0|0,0,0]=2 1116 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,2,0,0,0,0|0,0,0]=2 1117 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,2,0,0,0,0|0,0,0]=2 1118 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,2,0,0,0,0|0,0,2]=4 1119 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,2,0,0,0,0|0,0,2]=4 1120 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,2,0,0,0,0|0,0,2]=4 1121 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,2,0,0,0,0|0,0,2]=4 1122 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,2,0,0,0,0|0,0,2]=4 1123 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,2,0,0,0,0|0,0,2]=4 1124 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,2,0,0,0,0|0,0,2]=4 1125 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,2,0,0,0,0|0,0,2]=4 1126 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,2,0,0,0,0|0,0,2]=4 1127 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,2,0,0,0,0|0,0,2]=4 1128 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,2,0,0,0,0|0,0,2]=4 1129 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,2,0,0,0,0|0,0,2]=4 1130 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,2,0,0,0,0|0,0,2]=4 1131 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,2,0,0,0,0|0,0,2]=4 1132 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,2,0,0,0,0|0,0,2]=4 1133 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,2,0,0,0,0|0,0,2]=4 1134 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,2,0,0,0,0|0,0,2]=4 1135 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,2,0,0,0,0|0,0,2]=4 1136 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,2,0,0,0,0|0,0,2]=4 1137 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,2,0,0,0,0|0,0,2]=4 1138 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,2,0,0,0,0|0,0,2]=4 1139 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,2,0,0,0,0|1,0,1]=4 1140 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,2,0,0,0,0|1,0,1]=4 1141 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,2,0,0,0,0|1,0,1]=4 1142 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,2,0,0,0,0|0,0,2]=4 1143 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,2,0,0,0,0|0,0,2]=4 1144 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,2,0,0,0,0|0,0,2]=4 1145 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,2,0,0,0,0|0,0,2]=4 1146 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,2,0,0,0,0|0,0,2]=4 1147 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,2,0,0,0,0|0,0,2]=4 1148 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,2,0,0,0,0|0,0,2]=4 1149 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,2,0,0,0,0|0,0,2]=4 1150 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,2,0,0,0,0|1,0,1]=4 1151 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,2,0,0,0,0|1,0,1]=4 1152 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,2,0,0,0,0|1,0,1]=4 1153 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,2,0,0,0,0|1,0,1]=4 1154 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,2,0,0,0,0|1,0,1]=4 1155 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,2,0,0,0,0|1,0,1]=4 1156 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,2,0,0,0,0|0,0,2]=4 1157 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,2,0,0,0,0|0,0,2]=4 1158 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,2,0,0,0,0|0,0,2]=4 1159 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,2,0,0,0,0|1,0,1]=4 1160 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [0,2,0,0,0,0|0,0,2]=4 1161 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,2,0,0,0,0|0,0,2]=4 1162 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,2,0,0,0,0|0,0,2]=4 1163 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,2,0,0,0,0|1,0,1]=4 1164 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,2,0,0,0,0|1,0,1]=4 1165 B7R0.7 N#CCC(=O)C=CBr 1458a_100016273825_100011214920 [0,2,0,0,0,0|0,0,1]=3 1166 B7R0.7 N#CCC(=O)C=CCl 1458a_200016279998_100011214920 [0,2,0,0,0,0|0,0,1]=3 1167 B7R0.7 N#CCC(=O)C=CI 1458a_100016256311_100011214920 [0,2,0,0,0,0|0,0,1]=3 1168 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [0,2,0,0,0,0|0,0,2]=4 1169 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,2,0,0,0,0|0,0,2]=4 1170 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,2,0,0,0,0|0,0,2]=4 1171 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,2,0,0,0,0|0,0,0]=2 1172 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,2,0,0,0,0|0,0,0]=2 1173 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,2,0,0,0,0|0,0,0]=2 1174 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,2,0,0,0,0|0,0,0]=2 1175 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,2,0,0,0,0|0,0,0]=2 1176 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,2,0,0,0,0|0,0,0]=2 1177 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,2,0,0,0,0|0,0,2]=4 1178 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,2,0,0,0,0|0,0,2]=4 1179 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,2,0,0,0,0|1,0,1]=4 1180 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,2,0,0,0,0|1,0,1]=4 1181 B7R0.10 C#CC(=O)C(C)C#C 1458a_100000211873_200000035995 [0,2,0,0,0,0|0,0,2]=4 1182 B7R0.10 C#CC(=O)C(C)C#N 1458a_100000211873_100000703298 [0,2,0,0,0,0|0,0,2]=4 1183 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,2,0,0,0,0|0,0,2]=4 1184 B7R0.10 C#CC(C)C(=O)C=C 1458a_100000185746_200000035995 [0,2,0,0,0,0|0,0,0]=2 1185 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,2,0,0,0,0|0,0,2]=4 1186 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [0,2,0,0,0,0|1,0,1]=4 1187 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,2,0,0,0,0|0,0,0]=2 1188 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,2,0,0,0,0|1,0,0]=3 1189 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,2,0,0,0,0|1,0,0]=3 1190 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,2,0,0,0,0|1,0,0]=3 1191 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,2,0,0,0,0|1,0,1]=4 1192 B7R0.10 C=CC(=O)C(C)C#N 1458a_100000185746_100000703298 [0,2,0,0,0,0|0,0,0]=2 1193 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,2,0,0,0,0|0,0,0]=2 1194 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,2,0,0,0,0|0,0,0]=2 1195 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,2,0,0,0,0|0,0,0]=2 1196 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,2,0,0,0,0|0,0,0]=2 1197 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [0,2,0,0,0,0|1,0,0]=3 1198 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,2,0,0,0,0|1,0,0]=3 1199 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,2,0,0,0,0|1,0,0]=3 1200 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,2,0,0,0,0|1,0,0]=3 1201 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,2,0,0,0,0|1,0,0]=3 1202 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [0,2,0,0,0,0|1,0,1]=4 1203 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,2,0,0,0,0|1,0,1]=4 1204 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,2,0,0,0,0|1,0,1]=4 1205 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,2,0,0,0,0|1,0,1]=4 1206 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,2,0,0,0,0|1,0,1]=4 1207 B7R0.10 CC(C#N)C(=O)CF 1458a_100000753662_100015361967 [0,2,0,0,0,0|1,0,1]=4 1208 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [0,2,0,0,0,0|1,0,1]=4 1209 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [0,2,0,0,0,0|2,0,0]=4 1210 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,2,0,0,0,0|0,0,1]=3 1211 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,2,0,0,0,0|0,0,2]=4 1212 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,2,0,0,0,0|0,0,2]=4 1213 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,2,0,0,0,0|0,0,2]=4 1214 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,2,0,0,0,0|0,0,2]=4 1215 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,2,0,0,0,0|0,0,2]=4 1216 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,2,0,0,0,0|0,0,2]=4 1217 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,2,0,0,0,0|0,0,2]=4 1218 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,2,0,0,0,0|0,0,2]=4 1219 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,2,0,0,0,0|0,0,2]=4 1220 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,2,0,0,0,0|0,0,2]=4 1221 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,2,0,0,0,0|0,0,2]=4 1222 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,2,0,0,0,0|0,0,2]=4 1223 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,2,0,0,0,0|0,0,2]=4 1224 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,2,0,0,0,0|0,0,2]=4 1225 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,2,0,0,0,0|0,0,2]=4 1226 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,2,0,0,0,0|0,0,2]=4 1227 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,2,0,0,0,0|0,0,2]=4 1228 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,2,0,0,0,0|0,0,2]=4 1229 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,2,0,0,0,0|1,0,1]=4 1230 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,2,0,0,0,0|1,0,1]=4 1231 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,2,0,0,0,0|1,0,1]=4 1232 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,2,0,0,0,0|1,0,1]=4 1233 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,2,0,0,0,0|1,0,1]=4 1234 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,2,0,0,0,0|1,0,1]=4 1235 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,2,0,0,0,0|1,0,1]=4 1236 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,2,0,0,0,0|1,0,1]=4 1237 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,2,0,0,0,0|1,0,1]=4 1238 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,2,0,0,0,0|1,0,1]=4 1239 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,2,0,0,0,0|1,0,1]=4 1240 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,2,0,0,0,0|1,0,1]=4 1241 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,2,0,0,0,0|1,0,1]=4 1242 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,2,0,0,0,0|1,0,1]=4 1243 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,2,0,0,0,0|1,0,1]=4 1244 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,2,0,0,0,0|1,0,1]=4 1245 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,2,0,0,0,0|1,0,1]=4 1246 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,2,0,0,0,0|1,0,1]=4 1247 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,2,0,0,0,0|1,0,1]=4 1248 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,2,0,0,0,0|1,0,1]=4 1249 B7R0.10 CNC(=O)C(C)C#N 11a_106832991635_100000753662 [0,2,0,0,0,0|1,0,1]=4 1250 B7R0.10 CNC(=O)C(C)C#N 1626a_100102657272_100000753662 [0,2,0,0,0,0|1,0,1]=4 1251 B7R0.10 CNC(=O)C(C)C#N 240690a_100102657272_100000753662 [0,2,0,0,0,0|1,0,1]=4 1252 B7R0.10 CNC(=O)C(C)C#N 527a_100102657272_100000753662 [0,2,0,0,0,0|1,0,1]=4 1253 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,2,0,0,0,0|1,0,1]=4 1254 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,2,0,0,0,0|1,0,1]=4 1255 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,2,0,0,0,0|1,0,1]=4 1256 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,2,0,0,0,0|1,0,1]=4 1257 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,2,0,0,0,0|1,0,1]=4 1258 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,2,0,0,0,0|1,0,1]=4 1259 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,2,0,0,0,0|1,0,1]=4 1260 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,2,0,0,0,0|1,0,1]=4 1261 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,2,0,0,0,0|1,0,1]=4 1262 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,2,0,0,0,0|1,0,1]=4 1263 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,2,0,0,0,0|1,0,1]=4 1264 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,2,0,0,0,0|1,0,1]=4 1265 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,2,0,0,0,0|1,0,1]=4 1266 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,2,0,0,0,0|1,0,1]=4 1267 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,2,0,0,0,0|1,0,1]=4 1268 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,2,0,0,0,0|1,0,1]=4 1269 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,2,0,0,0,0|1,0,1]=4 1270 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,2,0,0,0,0|1,0,1]=4 1271 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,2,0,0,0,0|1,0,1]=4 1272 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,2,0,0,0,0|1,0,1]=4 1273 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,2,0,0,0,0|1,0,1]=4 1274 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,2,0,0,0,0|1,0,1]=4 1275 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,2,0,0,0,0|1,0,1]=4 1276 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,2,0,0,0,0|1,0,1]=4 1277 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,2,0,0,0,0|1,0,1]=4 1278 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,2,0,0,0,0|1,0,1]=4 1279 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,2,0,0,0,0|1,0,1]=4 1280 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,2,0,0,0,0|1,0,1]=4 1281 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,2,0,0,0,0|1,0,1]=4 1282 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,2,0,0,0,0|1,0,1]=4 1283 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,2,0,0,0,0|1,0,1]=4 1284 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,2,0,0,0,0|1,0,1]=4 1285 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,2,0,0,0,0|1,0,1]=4 1286 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,2,0,0,0,0|1,0,1]=4 1287 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,2,0,0,0,0|1,0,1]=4 1288 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,2,0,0,0,0|1,0,1]=4 1289 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,2,0,0,0,0|1,0,1]=4 1290 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,2,0,0,0,0|1,0,1]=4 1291 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,2,0,0,0,0|1,0,1]=4 1292 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,2,0,0,0,0|1,0,1]=4 1293 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [0,2,0,0,0,0|2,0,0]=4 1294 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,2,0,0,0,0|1,0,1]=4 1295 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,2,0,0,0,0|1,0,1]=4 1296 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,2,0,0,0,0|1,0,1]=4 1297 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,2,0,0,0,0|1,0,1]=4 1298 B7R0.11 C=CC(F)(F)SCC 62a_100000210202_100009814244 [0,2,0,0,0,0|1,0,1]=4 1299 B7R0.11 C=CC(F)(F)SCC 62a_100009814244_100000210202 [0,2,0,0,0,0|1,0,1]=4 1300 B7R0.11 C=CCS(=O)(=O)NC 270084a_100102657272_100000751117 [0,2,0,0,0,0|2,0,0]=4 1301 B7R0.11 C=CCS(=O)(=O)NC 274078a_100102657272_100000751117 [0,2,0,0,0,0|2,0,0]=4 1302 B7R0.11 C=C[Si](C)(C)CNC 2230a_106832991635_100000038793 [0,2,0,0,0,0|1,1,0]=4 1303 B7R0.11 C=C[Si](C)(C)CSC 62a_100000038793_200000210301 [0,2,0,0,0,0|1,1,0]=4 1304 B7R0.11 C=C[Si](C)(C)CSC 62a_200000210301_100000038793 [0,2,0,0,0,0|1,1,0]=4 1305 B7R0.11 C=C[Si](C)(C)CS[13CH3] 62a_100000038793_200025704644 [0,2,0,0,0,0|1,1,0]=4 1306 B7R0.11 C=C[Si](C)(C)CS[13CH3] 62a_200025704644_100000038793 [0,2,0,0,0,0|1,1,0]=4 1307 B7R0.12 C=CC(C=C)OCC 34a_100000033096_100000210202 [0,2,0,0,0,0|1,0,1]=4 1308 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,2,0,0,0,0|0,0,2]=4 1309 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,2,0,0,0,0|0,0,2]=4 1310 B7R0.12 C=CC(CC)OCF 34a_100000766422_100015361967 [0,2,0,0,0,0|0,0,2]=4 1311 B7R0.12 C=CC(CC)OCF 7a_100000766422_100015361967 [0,2,0,0,0,0|0,0,2]=4 1312 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,2,0,0,0,0|0,0,2]=4 1313 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,2,0,0,0,0|0,0,2]=4 1314 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,2,0,0,0,0|0,0,2]=4 1315 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,2,0,0,0,0|0,0,2]=4 1316 B7R0.12 C=CCN(CC)CC 2230a_100000724800_100000210623 [0,2,0,0,0,0|2,0,0]=4 1317 B7R0.12 C=CCN(CC)CC 269956a_100000042499_100000210623 [0,2,0,0,0,0|2,0,0]=4 1318 B7R0.12 C=CCN(CC)CC 269982a_100000724800_100000210623 [0,2,0,0,0,0|2,0,0]=4 1319 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [0,2,0,0,0,0|0,0,2]=4 1320 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [0,2,0,0,0,0|0,0,2]=4 1321 B7R0.12 CCNC(C=O)C=O 2230a_100015525214_100000736813 [0,2,0,0,0,0|1,0,1]=4 1322 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [0,2,0,0,0,0|1,0,1]=4 1323 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [0,2,0,0,0,0|1,0,1]=4 1324 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [0,2,0,0,0,0|1,0,1]=4 1325 B7R0.14 C=CC(=O)C(F)(F)F 1458a_100000185746_200000243211 [0,2,0,0,0,0|1,0,0]=3 1326 B7R0.14 CC(C)(C)C(=O)CF 1458a_106744555173_100015361967 [0,2,0,0,0,0|1,0,1]=4 1327 B7R0.14 CC(C)(F)C(=O)CF 1458a_100000765255_100015361967 [0,2,0,0,0,0|1,0,1]=4 1328 B7R0.14 CC(C)(O)C(=O)CF 1458a_100000242741_100015361967 [0,2,0,0,0,0|1,0,1]=4 1329 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [0,2,0,0,0,0|0,0,2]=4 1330 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [0,2,0,0,0,0|0,0,2]=4 1331 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [0,2,0,0,0,0|0,0,2]=4 1332 B7R0.14 CCC(=O)C(F)(F)F 1458a_100000210414_200000243211 [0,2,0,0,0,0|1,0,1]=4 1333 B7R0.14 CCC(=O)C(F)(F)F 1458a_100015355933_100000210202 [0,2,0,0,0,0|1,0,1]=4 1334 B7R0.14 CNC(=O)C(C)(C)C 11a_106832991635_106744555173 [0,2,0,0,0,0|1,0,1]=4 1335 B7R0.14 CNC(=O)C(C)(C)C 1626a_100102657272_106744555173 [0,2,0,0,0,0|1,0,1]=4 1336 B7R0.14 CNC(=O)C(C)(C)C 240690a_100102657272_106744555173 [0,2,0,0,0,0|1,0,1]=4 1337 B7R0.14 CNC(=O)C(C)(C)C 527a_100102657272_106744555173 [0,2,0,0,0,0|1,0,1]=4 1338 B7R0.14 CNC(=O)C(C)(C)F 11a_106832991635_100000765255 [0,2,0,0,0,0|1,0,1]=4 1339 B7R0.14 CNC(=O)C(C)(C)F 1626a_100102657272_100000765255 [0,2,0,0,0,0|1,0,1]=4 1340 B7R0.14 CNC(=O)C(C)(C)F 240690a_100102657272_100000765255 [0,2,0,0,0,0|1,0,1]=4 1341 B7R0.14 CNC(=O)C(C)(C)F 527a_100102657272_100000765255 [0,2,0,0,0,0|1,0,1]=4 1342 B7R0.14 CNC(=O)C(C)(C)O 240690a_100102657272_100000242741 [0,2,0,0,0,0|1,0,1]=4 1343 B7R0.14 CNC(=O)C(C)(F)F 11a_106832991635_100000042251 [0,2,0,0,0,0|1,0,1]=4 1344 B7R0.14 CNC(=O)C(C)(F)F 1626a_100102657272_100000042251 [0,2,0,0,0,0|1,0,1]=4 1345 B7R0.14 CNC(=O)C(C)(F)F 240690a_100102657272_100000042251 [0,2,0,0,0,0|1,0,1]=4 1346 B7R0.14 CNC(=O)C(C)(F)F 527a_100102657272_100000042251 [0,2,0,0,0,0|1,0,1]=4 1347 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [0,2,0,0,0,0|0,0,2]=4 1348 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [0,2,0,0,0,0|0,0,2]=4 1349 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [0,2,0,0,0,0|0,0,2]=4 1350 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [0,2,0,0,0,0|0,0,2]=4 1351 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,2,0,0,0,0|1,0,1]=4 1352 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,2,0,0,0,0|1,0,1]=4 1353 B7R0.16 C=C(Br)C(=O)N(C)C 11a_100102631434_100009813364 [0,2,0,0,0,0|1,0,0]=3 1354 B7R0.16 C=C(Br)C(=O)N(C)C 1626a_100102631434_100009813364 [0,2,0,0,0,0|1,0,0]=3 1355 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,2,0,0,0,0|0,0,0]=2 1356 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,2,0,0,0,0|1,0,0]=3 1357 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,2,0,0,0,0|1,0,0]=3 1358 B7R0.16 C=C(Cl)C(=O)N(C)C 11a_100102631434_100000039160 [0,2,0,0,0,0|1,0,0]=3 1359 B7R0.16 C=C(Cl)C(=O)N(C)C 1626a_100102631434_100000039160 [0,2,0,0,0,0|1,0,0]=3 1360 B7R0.16 C=C(F)C(=O)N(C)C 11a_100102631434_100000036797 [0,2,0,0,0,0|1,0,0]=3 1361 B7R0.16 C=C(F)C(=O)N(C)C 1626a_100102631434_100000036797 [0,2,0,0,0,0|1,0,0]=3 1362 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,2,0,0,0,0|1,0,1]=4 1363 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,2,0,0,0,0|0,0,2]=4 1364 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,2,0,0,0,0|0,0,2]=4 1365 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,2,0,0,0,0|1,0,1]=4 1366 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,2,0,0,0,0|1,0,1]=4 1367 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,2,0,0,0,0|1,0,1]=4 1368 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,2,0,0,0,0|1,0,1]=4 1369 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,2,0,0,0,0|1,0,1]=4 1370 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,2,0,0,0,0|0,0,2]=4 1371 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,2,0,0,0,0|0,0,2]=4 1372 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [0,2,0,0,0,0|1,0,1]=4 1373 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [0,2,0,0,0,0|1,0,1]=4 1374 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [0,2,0,0,0,0|1,0,1]=4 1375 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [0,2,0,0,0,0|1,0,1]=4 1376 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,2,0,0,0,0|2,0,0]=4 1377 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,2,0,0,0,0|1,0,1]=4 1378 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,2,0,0,0,0|1,0,1]=4 1379 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,2,0,0,0,0|1,0,1]=4 1380 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,2,0,0,0,0|1,0,1]=4 1381 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [0,1,0,1,0,0|2,0,0]=4 1382 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [0,1,0,1,0,0|1,1,0]=4 1383 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [0,1,0,1,0,0|1,1,0]=4 1384 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [0,1,0,1,0,0|2,0,0]=4 1385 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [0,1,0,1,0,0|2,0,0]=4 1386 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [0,1,0,1,0,0|2,0,0]=4 1387 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [0,1,0,1,0,0|2,0,0]=4 1388 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [0,1,0,1,0,0|1,0,1]=4 1389 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [0,1,0,1,0,0|1,0,1]=4 1390 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [0,1,0,1,0,0|1,1,0]=4 1391 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [0,1,0,1,0,0|1,1,0]=4 1392 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [0,1,0,1,0,0|1,0,1]=4 1393 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [0,1,0,1,0,0|1,0,1]=4 1394 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [0,1,0,1,0,0|1,0,1]=4 1395 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [0,1,0,1,0,0|1,0,1]=4 1396 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [0,1,0,1,0,0|1,1,0]=4 1397 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [0,1,0,1,0,0|1,1,0]=4 1398 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [0,1,0,1,0,0|1,1,0]=4 1399 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [0,1,0,1,0,0|1,1,0]=4 1400 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [0,1,0,1,0,0|1,0,1]=4 1401 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [0,1,0,1,0,0|1,0,1]=4 1402 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [0,1,0,1,0,0|1,1,0]=4 1403 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [0,1,0,1,0,0|1,1,0]=4 1404 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [0,1,0,1,0,0|2,0,0]=4 1405 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [0,1,0,1,0,0|2,0,0]=4 1406 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [0,1,0,1,0,0|2,0,0]=4 1407 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [0,1,0,1,0,0|2,0,0]=4 1408 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [0,1,0,1,0,0|1,0,1]=4 1409 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [0,1,0,1,0,0|1,0,1]=4 1410 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [0,1,0,1,0,0|1,1,0]=4 1411 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [0,1,0,1,0,0|1,1,0]=4 1412 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [0,1,0,1,0,0|1,1,0]=4 1413 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [0,1,0,1,0,0|1,1,0]=4 1414 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [0,1,0,1,0,0|2,0,0]=4 1415 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [0,1,0,1,0,0|2,0,0]=4 1416 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [0,1,0,1,0,0|2,0,0]=4 1417 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [0,1,0,1,0,0|2,0,0]=4 1418 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [0,1,0,1,0,0|1,0,1]=4 1419 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [0,1,0,1,0,0|1,0,1]=4 1420 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [0,1,0,1,0,0|1,1,0]=4 1421 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [0,1,0,1,0,0|1,1,0]=4 1422 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [0,1,0,1,0,0|1,0,1]=4 1423 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [0,1,0,1,0,0|1,0,1]=4 1424 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [0,1,0,1,0,0|1,0,1]=4 1425 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [0,1,0,1,0,0|1,0,1]=4 1426 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [0,1,0,1,0,0|1,1,0]=4 1427 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [0,1,0,1,0,0|1,1,0]=4 1428 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [0,1,0,1,0,0|1,1,0]=4 1429 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [0,1,0,1,0,0|1,1,0]=4 1430 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [0,1,0,1,0,0|1,0,1]=4 1431 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [0,1,0,1,0,0|1,0,1]=4 1432 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [0,1,0,1,0,0|1,1,0]=4 1433 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [0,1,0,1,0,0|1,1,0]=4 1434 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [0,1,0,1,0,0|2,0,0]=4 1435 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [0,1,0,1,0,0|2,0,0]=4 1436 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [0,1,0,1,0,0|2,0,0]=4 1437 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [0,1,0,1,0,0|2,0,0]=4 1438 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [0,1,0,1,0,0|1,0,1]=4 1439 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [0,1,0,1,0,0|1,0,1]=4 1440 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [0,1,0,1,0,0|1,1,0]=4 1441 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [0,1,0,1,0,0|1,1,0]=4 1442 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,1,0,1,0,0|1,0,1]=4 1443 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,1,0,1,0,0|0,0,2]=4 1444 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [0,1,0,1,0,0|1,0,1]=4 1445 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,1,0,1,0,0|1,0,1]=4 1446 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 1447 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 1448 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 1449 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 1450 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 1451 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 1452 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,1,0,1,0,0|0,0,2]=4 1453 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,1,0,1,0,0|0,0,2]=4 1454 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,1,0,1,0,0|0,0,2]=4 1455 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [0,1,0,1,0,0|1,0,1]=4 1456 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [0,1,0,1,0,0|1,0,1]=4 1457 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,1,0,1,0,0|1,0,1]=4 1458 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [0,1,0,1,0,0|2,0,0]=4 1459 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,1,0,0|0,0,2]=4 1460 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,1,0,0|0,0,2]=4 1461 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,1,0,0|0,0,2]=4 1462 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,1,0,0|0,0,2]=4 1463 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,1,0,0|0,0,2]=4 1464 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,1,0,0|0,0,2]=4 1465 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,1,0,0|0,0,2]=4 1466 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,1,0,1,0,0|0,0,2]=4 1467 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,1,0,1,0,0|0,0,2]=4 1468 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,1,0,1,0,0|1,0,1]=4 1469 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,1,0,1,0,0|1,0,1]=4 1470 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,1,0,1,0,0|1,0,1]=4 1471 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,1,0,1,0,0|1,0,1]=4 1472 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,1,0,1,0,0|1,0,1]=4 1473 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,1,0,1,0,0|1,0,1]=4 1474 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,1,0,1,0,0|1,0,1]=4 1475 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,1,0,1,0,0|1,0,1]=4 1476 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,1,0,1,0,0|1,0,1]=4 1477 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,1,0,1,0,0|1,0,1]=4