0 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,0,0,0,0,0|1,0,3]=4 11 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [0,0,0,0,0,0|1,0,3]=4 12 B8R1.4 Cc1nccc(n1)O 271570a_203496583355_100000749937 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,0,0,0|2,0,1]=4 23 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,0,0,0|1,0,2]=4 25 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [0,1,0,0,0,0|1,0,2]=4 27 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [0,1,0,0,0,0|1,0,2]=4 29 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,0,0,0|1,0,2]=4 32 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [0,1,0,0,0,0|1,0,2]=4 34 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [0,1,0,0,0,0|1,0,2]=4 36 B9R1.34 Cc1cc(cc(=O)[nH]1)O 271570a_203496583355_100009861981 [0,1,0,0,0,0|1,0,2]=4 37 B9R1.69 Cc1ncc(c(=O)[nH]1)O 271570a_203496583355_100011999157 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,0,1,0,0,0|1,0,2]=4 39 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,0,1,0,0,0|1,0,2]=4 40 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,0,1,0,0,0|1,0,0]=2 41 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,0,1,0,0,0|2,0,0]=3 42 B7R0.2 C=CC(=O)CC(F)F 1458a_100000185746_100011934356 [0,0,1,0,0,0|3,0,0]=4 43 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,0,1,0,0,0|1,0,0]=2 44 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,0,1,0,0,0|1,0,0]=2 45 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,0,1,0,0,0|1,0,2]=4 46 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,0,1,0,0,0|1,0,2]=4 47 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,0,1,0,0,0|1,0,1]=3 48 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,0,1,0,0,0|1,1,1]=4 49 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,0,1,0,0,0|2,0,1]=4 50 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,0,1,0,0,0|2,0,1]=4 51 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,0,1,0,0,0|2,0,1]=4 52 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,0,1,0,0,0|2,0,1]=4 53 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,0,1,0,0,0|2,0,1]=4 54 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,0,1,0,0,0|2,0,1]=4 55 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,0,1,0,0,0|2,0,1]=4 56 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,0,1,0,0,0|1,0,2]=4 57 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,0,1,0,0,0|1,0,2]=4 58 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,0,1,0,0,0|2,0,1]=4 59 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,0,1,0,0,0|2,0,1]=4 60 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,0,1,0,0,0|2,0,1]=4 61 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,0,1,0,0,0|2,0,1]=4 62 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,0,1,0,0,0|1,0,2]=4 63 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,0,1,0,0,0|1,0,2]=4 64 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,0,1,0,0,0|1,0,2]=4 65 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,0,1,0,0,0|1,0,2]=4 66 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,0,1,0,0,0|1,0,2]=4 67 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,0,1,0,0,0|1,0,2]=4 68 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,0,1,0,0,0|1,0,2]=4 69 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,0,1,0,0,0|1,0,2]=4 70 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,0,1,0,0,0|1,0,2]=4 71 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,0,1,0,0,0|1,0,2]=4 72 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,0,1,0,0,0|1,0,2]=4 73 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,0,1,0,0,0|1,0,2]=4 74 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,0,1,0,0,0|1,0,2]=4 75 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,0,1,0,0,0|1,0,2]=4 76 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,0,1,0,0,0|2,0,1]=4 77 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,0,1,0,0,0|2,0,1]=4 78 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,0,1,0,0,0|2,0,1]=4 79 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,0,1,0,0,0|2,0,1]=4 80 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,0,1,0,0,0|2,0,1]=4 81 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,0,1,0,0,0|2,0,1]=4 82 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,0,1,0,0,0|2,0,1]=4 83 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,0,1,0,0,0|2,0,1]=4 84 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,0,1,0,0,0|2,0,1]=4 85 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,0,1,0,0,0|1,0,2]=4 86 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,0,1,0,0,0|1,0,2]=4 87 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,0,1,0,0,0|1,0,2]=4 88 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,0,1,0,0,0|1,0,2]=4 89 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [0,0,1,0,0,0|2,0,1]=4 90 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [0,0,1,0,0,0|2,0,1]=4 91 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [0,0,1,0,0,0|2,0,1]=4 92 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [0,0,1,0,0,0|2,0,1]=4 93 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,0,1,0,0,0|2,0,1]=4 94 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,0,1,0,0,0|2,0,1]=4 95 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [0,0,1,0,0,0|2,0,1]=4 96 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [0,0,1,0,0,0|2,0,1]=4 97 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [0,0,1,0,0,0|2,0,1]=4 98 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [0,0,1,0,0,0|2,0,1]=4 99 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,0,1,0,0,0|2,0,1]=4 100 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,0,1,0,0,0|2,0,1]=4 101 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,0,1,0,0,0|2,0,1]=4 102 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,0,1,0,0,0|2,0,1]=4 103 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,0,1,0,0,0|2,0,1]=4 104 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,0,1,0,0,0|2,0,1]=4 105 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,0,1,0,0,0|2,0,1]=4 106 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,0,1,0,0,0|1,0,1]=3 107 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,0,1,0,0,0|1,0,1]=3 108 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,0,1,0,0,0|1,0,1]=3 109 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,0,1,0,0,0|1,0,1]=3 110 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,0,1,0,0,0|1,0,2]=4 111 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,0,1,0,0,0|1,0,2]=4 112 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,0,1,0,0,0|1,0,2]=4 113 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [0,0,1,0,0,0|3,0,0]=4 114 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,0,1,0,0,0|1,0,2]=4 115 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,0,1,0,0,0|1,0,2]=4 116 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,0,1,0,0,0|1,0,0]=2 117 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,0,1,0,0,0|1,0,0]=2 118 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,0,1,0,0,0|1,0,2]=4 119 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,0,1,0,0,0|1,0,2]=4 120 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,0,1,0,0,0|1,0,2]=4 121 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,0,1,0,0,0|2,0,1]=4 122 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,0,1,0,0,0|2,0,1]=4 123 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,0,1,0,0,0|2,0,1]=4 124 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,0,1,0,0,0|2,0,1]=4 125 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,0,1,0,0,0|2,0,1]=4 126 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,0,1,0,0,0|1,0,1]=3 127 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,0,1,0,0,0|3,0,0]=4 128 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,0,1,0,0,0|2,0,1]=4 129 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,0,1,0,0,0|2,0,1]=4 130 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,0,1,0,0,0|2,0,1]=4 131 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,0,1,0,0,0|2,0,1]=4 132 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,0,1,0,0,0|1,0,2]=4 133 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,0,1,0,0,0|2,0,1]=4 134 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,0,1,0,0,0|2,0,1]=4 135 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,0,1,0,0,0|2,0,1]=4 136 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,0,1,0,0,0|2,0,1]=4 137 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,0,1,0,0,0|1,0,2]=4 138 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,0,1,0,0,0|1,0,2]=4 139 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,0,1,0,0,0|2,0,1]=4 140 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,0,1,0,0,0|2,0,0]=3 141 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,0,1,0,0,0|2,0,0]=3 142 B7R0.4 CNC/C=C/B(O)O 2230a_106832991635_100016262062 [0,0,1,0,0,0|2,0,1]=4 143 B7R0.4 CNC/C=C/B(O)O 34a_100102657272_100016262062 [0,0,1,0,0,0|2,0,1]=4 144 B7R0.4 CNC/C=C/B(O)O 7a_106832991635_100016262062 [0,0,1,0,0,0|2,0,1]=4 145 B7R0.4 COC/C=C/B(O)O 34a_100138415774_100016262062 [0,0,1,0,0,0|2,0,1]=4 146 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,0,1,0,0,0|2,0,0]=3 147 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,0,1,0,0,0|2,0,0]=3 148 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,0,1,0,0,0|2,0,1]=4 149 B7R0.4 CSC/C=C/B(O)O 62a_100016262062_200000210301 [0,0,1,0,0,0|2,0,1]=4 150 B7R0.4 CSC/C=C/B(O)O 62a_200000210301_100016262062 [0,0,1,0,0,0|2,0,1]=4 151 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,0,1,0,0,0|2,0,1]=4 152 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,0,1,0,0,0|2,0,1]=4 153 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,0,1,0,0,0|2,0,1]=4 154 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,0,1,0,0,0|1,0,1]=3 155 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,0,1,0,0,0|1,0,1]=3 156 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,0,1,0,0,0|2,0,1]=4 157 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,0,1,0,0,0|2,0,1]=4 158 B7R0.4 [13CH3]SC/C=C/B(O)O 62a_100016262062_200025704644 [0,0,1,0,0,0|2,0,1]=4 159 B7R0.4 [13CH3]SC/C=C/B(O)O 62a_200025704644_100016262062 [0,0,1,0,0,0|2,0,1]=4 160 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,0,1,0,0,0|1,0,2]=4 161 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,0,1,0,0,0|1,0,1]=3 162 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,0,1,0,0,0|2,0,1]=4 163 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,0,1,0,0,0|1,0,2]=4 164 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,0,1,0,0,0|1,0,2]=4 165 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,0,1,0,0,0|1,0,2]=4 166 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,0,1,0,0,0|1,0,2]=4 167 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,0,1,0,0,0|1,0,2]=4 168 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,0,1,0,0,0|1,0,2]=4 169 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,0,1,0,0,0|3,0,0]=4 170 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,0,1,0,0,0|3,0,0]=4 171 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,0,1,0,0,0|3,0,0]=4 172 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,0,1,0,0,0|3,0,0]=4 173 B7R0.7 C=CCN(C)CC=C 2230a_100000210471_200000210301 [0,0,1,0,0,0|3,0,0]=4 174 B7R0.7 C=CCN(C)CC=C 2230a_100000225617_100000210623 [0,0,1,0,0,0|3,0,0]=4 175 B7R0.7 C=CCN(C)CC=C 269982a_100000210471_200000210301 [0,0,1,0,0,0|3,0,0]=4 176 B7R0.7 C=CCN(C)CC=C 269982a_100000225617_100000210623 [0,0,1,0,0,0|3,0,0]=4 177 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [0,0,1,0,0,0|2,0,0]=3 178 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [0,0,1,0,0,0|2,0,0]=3 179 B7R0.7 C=CCN([13CH3])CC=C 2230a_100000210471_200025704644 [0,0,1,0,0,0|3,0,0]=4 180 B7R0.7 C=CCN([13CH3])CC=C 269982a_100000210471_200025704644 [0,0,1,0,0,0|3,0,0]=4 181 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,0,1,0,0,0|1,0,1]=3 182 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,0,1,0,0,0|1,0,1]=3 183 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,0,1,0,0,0|1,0,1]=3 184 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,0,1,0,0,0|1,0,1]=3 185 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,0,1,0,0,0|1,0,2]=4 186 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,0,1,0,0,0|2,0,1]=4 187 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,0,1,0,0,0|1,0,0]=2 188 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,0,1,0,0,0|2,0,0]=3 189 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,0,1,0,0,0|2,0,0]=3 190 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,0,1,0,0,0|1,0,0]=2 191 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,0,1,0,0,0|1,0,0]=2 192 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,0,1,0,0,0|2,0,0]=3 193 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,0,1,0,0,0|2,0,0]=3 194 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,0,1,0,0,0|2,0,0]=3 195 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,0,1,0,0,0|2,0,0]=3 196 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,0,1,0,0,0|1,0,2]=4 197 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,0,1,0,0,0|2,0,1]=4 198 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,0,1,0,0,0|2,0,1]=4 199 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,0,1,0,0,0|2,0,1]=4 200 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,0,1,0,0,0|2,0,1]=4 201 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,0,1,0,0,0|2,0,1]=4 202 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,0,1,0,0,0|2,0,1]=4 203 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,0,1,0,0,0|2,0,1]=4 204 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,0,1,0,0,0|2,0,1]=4 205 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,0,1,0,0,0|1,0,2]=4 206 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,0,1,0,0,0|1,0,2]=4 207 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,0,1,0,0,0|1,0,2]=4 208 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,0,1,0,0,0|3,0,0]=4 209 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,0,1,0,0,0|2,0,0]=3 210 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,0,1,0,0,0|2,0,0]=3 211 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,0,1,0,0,0|2,0,0]=3 212 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,0,1,0,0,0|2,0,1]=4 213 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,0,1,0,0,0|2,0,1]=4 214 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,0,1,0,0,0|2,0,1]=4 215 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,0,1,0,0,0|2,0,1]=4 216 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,0,1,0,0,0|2,0,1]=4 217 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,0,1,0,0,0|2,0,1]=4 218 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,0,1,0,0,0|2,0,1]=4 219 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,0,1,0,0,0|2,0,1]=4 220 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,0,1,0,0,0|2,0,1]=4 221 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,0,1,0,0,0|2,0,1]=4 222 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,0,1,0,0,0|2,0,1]=4 223 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,0,1,0,0,0|2,0,1]=4 224 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,0,1,0,0,0|2,0,1]=4 225 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,0,1,0,0,0|2,0,1]=4 226 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,0,1,0,0,0|2,0,1]=4 227 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,0,1,0,0,0|2,0,1]=4 228 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,0,1,0,0,0|2,0,1]=4 229 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,0,1,0,0,0|2,0,1]=4 230 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,0,1,0,0,0|2,0,1]=4 231 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,0,1,0,0,0|3,0,0]=4 232 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,0,1,0,0,0|3,0,0]=4 233 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,0,1,0,0,0|3,0,0]=4 234 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,0,1,0,0,0|1,0,1]=3 235 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,0,1,0,0,0|1,0,1]=3 236 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,0,1,0,0,0|1,0,1]=3 237 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,0,1,0,0,0|1,0,1]=3 238 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,0,1,0,0,0|1,0,1]=3 239 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,0,1,0,0,0|1,0,1]=3 240 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,0,1,0,0,0|1,0,1]=3 241 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,0,1,0,0,0|1,0,1]=3 242 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,0,1,0,0,0|3,0,0]=4 243 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,0,1,0,0,0|3,0,0]=4 244 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,0,1,0,0,0|3,0,0]=4 245 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,0,1,0,0,0|3,0,0]=4 246 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,0,1,0,0,0|3,0,0]=4 247 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,0,1,0,0,0|3,0,0]=4 248 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,0,1,0|3,0,0]=4 249 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,0,0,0,1,0|0,1,2]=4 250 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [0,0,0,0,1,0|2,0,1]=4 251 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,0,1,0|3,0,0]=4 252 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,0,0,0,1,0|1,0,2]=4 253 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,0,0,0,1,0|2,0,1]=4 254 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,0,1,0,0,0|1,0,1]=4 255 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,0,1,0,0,0|1,0,1]=4 256 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,1,0,0,0|1,0,0]=3 257 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,0,1,0,0,0|2,0,0]=4 258 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,1,0,0,0|2,0,0]=4 259 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,1,0,0,0|1,0,0]=3 260 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [1,0,1,0,0,0|2,0,0]=4 261 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,0,1,0,0,0|1,0,1]=4 262 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [1,0,1,0,0,0|1,0,1]=4 263 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,1,0,0,0|0,0,2]=4 264 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,1,0,0,0|0,0,2]=4 265 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [1,0,1,0,0,0|0,0,1]=3 266 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [1,0,1,0,0,0|0,0,1]=3 267 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [1,0,1,0,0,0|0,0,1]=3 268 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [1,0,1,0,0,0|0,0,1]=3 269 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,1,0,0,0|0,0,2]=4 270 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,1,0,0,0|0,0,0]=2 271 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,0,1,0,0,0|1,0,0]=3 272 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,1,0,0,0|1,0,0]=3 273 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,1,0,0,0|1,0,0]=3 274 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,1,0,0,0|1,0,0]=3 275 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,1,0,0,0|1,0,0]=3 276 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,1,0,0,0|1,0,0]=3 277 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,1,0,0,0|1,0,0]=3 278 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,1,0,0,0|1,0,1]=4 279 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,1,0,0,0|1,0,1]=4 280 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,1,0,0,0|1,0,1]=4 281 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,1,0,0,0|1,0,1]=4 282 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,1,0,0,0|1,0,1]=4 283 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,1,0,0,0|1,0,1]=4 284 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,1,0,0,0|1,0,1]=4 285 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,1,0,0,0|1,0,1]=4 286 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,1,0,0,0|1,0,1]=4 287 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,1,0,0,0|2,0,0]=4 288 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,1,0,0,0|0,0,2]=4 289 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,1,0,0,0|0,0,2]=4 290 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,1,0,0,0|2,0,0]=4 291 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,1,0,0,0|2,0,0]=4 292 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,1,0,0,0|2,0,0]=4 293 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,1,0,0,0|2,0,0]=4 294 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,1,0,0,0|1,0,1]=4 295 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,1,0,0,0|1,0,1]=4 296 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,1,0,0,0|1,0,1]=4 297 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,1,0,0,0|2,0,0]=4 298 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,1,0,0,0|2,0,0]=4 299 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,1,0,0,0|2,0,0]=4 300 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,1,0,0,0|2,0,0]=4 301 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,1,0,0,0|2,0,0]=4 302 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,1,0,0,0|2,0,0]=4 303 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [1,0,1,0,0,0|2,0,0]=4 304 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [1,0,1,0,0,0|2,0,0]=4 305 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [1,0,1,0,0,0|2,0,0]=4 306 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [1,0,1,0,0,0|2,0,0]=4 307 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [1,0,1,0,0,0|2,0,0]=4 308 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [1,0,1,0,0,0|2,0,0]=4 309 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,1,0,0,0|1,0,1]=4 310 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,1,0,0,0|1,0,1]=4 311 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,1,0,0,0|1,0,1]=4 312 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,1,0,0,0|1,0,1]=4 313 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,1,0,0,0|1,0,1]=4 314 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,1,0,0,0|1,0,1]=4 315 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,1,0,0,0|1,0,1]=4 316 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,1,0,0,0|1,0,1]=4 317 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [1,0,1,0,0,0|2,0,0]=4 318 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [1,0,1,0,0,0|2,0,0]=4 319 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [1,0,1,0,0,0|2,0,0]=4 320 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,0,1,0,0,0|1,0,1]=4 321 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,0,1,0,0,0|1,0,1]=4 322 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,0,1,0,0,0|1,0,1]=4 323 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,0,1,0,0,0|1,0,1]=4 324 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,0,1,0,0,0|1,0,1]=4 325 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,0,1,0,0,0|1,0,1]=4 326 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,0,1,0,0,0|1,0,1]=4 327 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,0,1,0,0,0|1,0,1]=4 328 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,0,1,0,0,0|1,0,1]=4 329 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,0,1,0,0,0|1,0,1]=4 330 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,0,1,0,0,0|0,0,1]=3 331 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,0,1,0,0,0|0,0,1]=3 332 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,0,1,0,0,0|0,1,1]=4 333 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,0,1,0,0,0|0,1,1]=4 334 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,1,0,0,0|1,0,1]=4 335 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,1,0,0,0|1,0,0]=3 336 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,1,0,0,0|1,0,0]=3 337 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,1,0,0,0|1,0,1]=4 338 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,1,0,0,0|1,0,1]=4 339 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,1,0,0,0|1,0,1]=4 340 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,1,0,0,0|2,0,0]=4 341 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,1,0,0,0|2,0,0]=4 342 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,1,0,0,0|2,0,0]=4 343 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,1,0,0,0|2,0,0]=4 344 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,1,0,0,0|1,0,1]=4 345 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,1,0,0,0|2,0,0]=4 346 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,1,0,0,0|2,0,0]=4 347 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,1,0,0,0|0,0,1]=3 348 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,1,0,0,0|0,0,1]=3 349 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [1,0,1,0,0,0|1,0,1]=4 350 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,1,0,0,0|0,1,1]=4 351 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,1,0,0,0|0,1,1]=4 352 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,1,0,0,0|1,0,1]=4 353 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,1,0,0,0|1,0,1]=4 354 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [1,0,1,0,0,0|1,0,1]=4 355 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,0,1,0,0,0|2,0,0]=4 356 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [1,0,1,0,0,0|2,0,0]=4 357 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [1,0,1,0,0,0|2,0,0]=4 358 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [1,0,1,0,0,0|2,0,0]=4 359 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,1,0,0,0|1,0,1]=4 360 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,1,0,0,0|0,0,1]=3 361 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,1,0,0,0|0,1,1]=4 362 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,1,0,0,0|0,1,1]=4 363 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,1,0,0,0|1,0,1]=4 364 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,1,0,0,0|1,0,1]=4 365 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,1,0,0,0|1,0,1]=4 366 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,1,0,0,0|1,0,1]=4 367 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,1,0,0,0|1,0,1]=4 368 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,1,0,0,0|1,0,1]=4 369 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,1,0,0,0|1,0,1]=4 370 B8R0.2 C=CC(=O)N(C)C(C)C 1626a_200000211004_100000185746 [0,1,1,0,0,0|1,0,0]=3 371 B8R0.2 C=CC(=O)N(C)C(C)C 240690a_200000211004_200121576911 [0,1,1,0,0,0|1,0,0]=3 372 B8R0.5 C/C=C/C(C)OC(C)C 34a_200102604097_100000210206 [0,1,1,0,0,0|1,0,1]=4 373 B8R0.5 C=CCC(=O)C=C(C)C 1458a_100000211388_100000210623 [0,1,1,0,0,0|1,0,1]=4 374 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,1,1,0,0,0|1,0,0]=3 375 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,1,1,0,0,0|1,0,0]=3 376 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [0,1,1,0,0,0|2,0,0]=4 377 B8R0.5 C=CCC(=O)CN(C)C 1458a_100000750896_100000210623 [0,1,1,0,0,0|2,0,0]=4 378 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [0,1,1,0,0,0|2,0,0]=4 379 B8R0.5 C=CCC(=O)C[S+](C)C 1458a_200159257847_100000210623 [0,1,1,0,0,0|2,0,0]=4 380 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,1,1,0,0,0|1,0,0]=3 381 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,1,1,0,0,0|1,0,0]=3 382 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,1,1,0,0,0|1,0,0]=3 383 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,1,1,0,0,0|1,0,0]=3 384 B8R0.5 C=CC[C@@H](C)OC(C)C 34a_100000731007_100000210206 [0,1,1,0,0,0|1,0,1]=4 385 B8R0.5 C=CC[C@@H](C)OC(C)C 7a_100000731007_100000210206 [0,1,1,0,0,0|1,0,1]=4 386 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,1,1,0,0,0|2,0,0]=4 387 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,1,1,0,0,0|2,0,0]=4 388 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,1,1,0,0,0|1,0,1]=4 389 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,1,1,0,0,0|1,0,1]=4 390 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [0,1,1,0,0,0|1,0,0]=3 391 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [0,1,1,0,0,0|1,0,0]=3 392 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [0,1,1,0,0,0|1,0,0]=3 393 B8R0.5 CC(C)NC(=O)C=CBr 1626a_100138425928_100016273825 [0,1,1,0,0,0|1,0,0]=3 394 B8R0.5 CC(C)NC(=O)C=CBr 240690a_100138425928_100016273825 [0,1,1,0,0,0|1,0,0]=3 395 B8R0.5 CC(C)NC(=O)C=CCl 11a_100138425928_200016279998 [0,1,1,0,0,0|1,0,0]=3 396 B8R0.5 CC(C)NC(=O)C=CCl 1626a_100138425928_200016279998 [0,1,1,0,0,0|1,0,0]=3 397 B8R0.5 CC(C)NC(=O)C=CCl 240690a_100138425928_200016279998 [0,1,1,0,0,0|1,0,0]=3 398 B8R0.5 CC(C)NC(=O)C=CI 1626a_100138425928_100016256311 [0,1,1,0,0,0|1,0,0]=3 399 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,1,1,0,0,0|0,0,2]=4 400 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,1,1,0,0,0|0,0,2]=4 401 B8R0.5 CC(O)CC(=O)C=CBr 1458a_100016273825_100011218427 [0,1,1,0,0,0|2,0,0]=4 402 B8R0.5 CC(O)CC(=O)C=CCl 1458a_200016279998_100011218427 [0,1,1,0,0,0|2,0,0]=4 403 B8R0.5 CC(O)CC(=O)C=CI 1458a_100016256311_100011218427 [0,1,1,0,0,0|2,0,0]=4 404 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,1,1,0,0,0|1,0,0]=3 405 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,1,1,0,0,0|2,0,0]=4 406 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,1,1,0,0,0|1,0,0]=3 407 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,1,1,0,0,0|1,0,0]=3 408 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,1,1,0,0,0|1,0,0]=3 409 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,1,1,0,0,0|0,0,2]=4 410 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,1,1,0,0,0|0,0,2]=4 411 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,1,1,0,0,0|0,0,2]=4 412 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,1,1,0,0,0|0,0,2]=4 413 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,1,1,0,0,0|0,0,2]=4 414 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,1,1,0,0,0|0,0,2]=4 415 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,1,1,0,0,0|0,0,2]=4 416 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,1,1,0,0,0|0,0,2]=4 417 B8R0.16 C=CC(C=C)OC(C)C 34a_100000033096_100000210206 [0,1,1,0,0,0|1,0,1]=4 418 B8R0.16 C=CC(CC)OC(C)C 34a_100000766422_100000210206 [0,1,1,0,0,0|1,0,1]=4 419 B8R0.16 C=CC(CC)OC(C)C 7a_100000766422_100000210206 [0,1,1,0,0,0|1,0,1]=4 420 B8R0.16 CC(C)OC(C=O)C=O 34a_100000212225_100000736813 [0,1,1,0,0,0|1,0,1]=4 421 B8R0.19 C#CC(C)NC(=O)C=C 1626a_100000707721_100000185746 [0,1,1,0,0,0|1,0,1]=4 422 B8R0.19 C#CC(C)NC(=O)C=C 240690a_100000707721_200121576911 [0,1,1,0,0,0|1,0,1]=4 423 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,1,1,0,0,0|1,0,0]=3 424 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,1,1,0,0,0|2,0,0]=4 425 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,1,1,0,0,0|1,0,0]=3 426 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,1,1,0,0,0|1,0,0]=3 427 B8R0.19 C=CC(=O)NC(C)C#N 1626a_100000737613_100000185746 [0,1,1,0,0,0|1,0,1]=4 428 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,1,1,0,0,0|1,0,0]=3 429 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,1,1,0,0,0|1,0,0]=3 430 B8R0.19 C=CC(=O)N[C@H](C)CF 1626a_100102880703_100000185746 [0,1,1,0,0,0|1,0,0]=3 431 B8R0.19 C=CC(=O)N[C@H](C)CF 240690a_100102880703_200121576911 [0,1,1,0,0,0|1,0,0]=3 432 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [0,1,1,0,0,0|1,0,0]=3 433 B8R0.19 C=CC(C)OC(C)CC 34a_100000695699_100011215416 [0,1,1,0,0,0|1,0,1]=4 434 B8R0.19 C=CC(C)OC(C)CO 34a_100000695699_100012180447 [0,1,1,0,0,0|1,0,1]=4 435 B8R0.23 C=C(Br)C(=O)NC(C)C 11a_100138425928_100009813364 [0,1,1,0,0,0|1,0,0]=3 436 B8R0.23 C=C(Br)C(=O)NC(C)C 1626a_100138425928_100009813364 [0,1,1,0,0,0|1,0,0]=3 437 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,1,1,0,0,0|1,0,0]=3 438 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,1,1,0,0,0|2,0,0]=4 439 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,1,1,0,0,0|1,0,0]=3 440 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,1,1,0,0,0|1,0,0]=3 441 B8R0.23 C=C(Cl)C(=O)NC(C)C 11a_100138425928_100000039160 [0,1,1,0,0,0|1,0,0]=3 442 B8R0.23 C=C(Cl)C(=O)NC(C)C 1626a_100138425928_100000039160 [0,1,1,0,0,0|1,0,0]=3 443 B8R0.23 C=C(F)C(=O)NC(C)C 11a_100138425928_100000036797 [0,1,1,0,0,0|1,0,0]=3 444 B8R0.23 C=C(F)C(=O)NC(C)C 1626a_100138425928_100000036797 [0,1,1,0,0,0|1,0,0]=3 445 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,1,1,0,0,0|1,0,1]=4 446 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,1,1,0,0,0|2,0,0]=4 447 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,1,1,0,0,0|1,0,1]=4 448 B8R0.24 C=CC(=O)C[Si](C)(C)C 1458a_100000185746_100000233785 [0,1,1,0,0,0|1,1,0]=4 449 B8R0.24 C=CC(=O)NC(C)(C)C 1626a_100000715429_100000185746 [0,1,1,0,0,0|1,0,0]=3 450 B8R0.24 C=CC(=O)NC(C)(C)C 240690a_100000715429_200121576911 [0,1,1,0,0,0|1,0,0]=3 451 B8R0.24 C=CC(C)OC(C)(C)C 34a_100000695699_100000210625 [0,1,1,0,0,0|1,0,1]=4 452 B8R0.34 C=CC(C)(C)OC(C)C 34a_100011215311_100000210206 [0,1,1,0,0,0|1,0,1]=4 453 B8R0.34 C=CC(C)(C)OC(C)C 7a_100011215311_100000210206 [0,1,1,0,0,0|1,0,1]=4 454 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,1,1,0,0,0|1,0,1]=4 455 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,1,0,0,0|0,0,2]=4 456 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,1,1,0,0,0|2,0,0]=4 457 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,1,1,0,0,0|1,0,1]=4 458 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,1,1,0,0,0|1,0,1]=4 459 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,1,1,0,0,0|1,0,1]=4 460 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,1,0,0,0|1,0,0]=3 461 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,1,0,0,0|1,0,0]=3 462 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,1,0,0,0|1,0,0]=3 463 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,1,0,0,0|1,0,0]=3 464 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,1,0,0,0|1,0,0]=3 465 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,1,0,0,0|0,0,2]=4 466 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,1,0,0,0|1,0,1]=4 467 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,1,0,0,0|1,0,1]=4 468 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,1,0,0,0|2,0,0]=4 469 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,1,0,0,0|1,0,1]=4 470 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,1,0,0,0|1,0,1]=4 471 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,1,0,0,0|1,0,1]=4 472 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,1,1,0,0,0|2,0,0]=4 473 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,1,1,0,0,0|2,0,0]=4 474 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [0,1,1,0,0,0|2,0,0]=4 475 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,1,1,0,0,0|2,0,0]=4 476 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,1,1,0,0,0|2,0,0]=4 477 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,1,1,0,0,0|2,0,0]=4 478 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,1,1,0,0,0|2,0,0]=4 479 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,1,1,0,0,0|2,0,0]=4 480 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,1,1,0,0,0|2,0,0]=4 481 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,1,1,0,0,0|1,0,0]=3 482 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,1,1,0,0,0|1,0,0]=3 483 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,1,1,0,0,0|1,0,0]=3 484 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,1,1,0,0,0|1,0,0]=3 485 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,1,1,0,0,0|1,0,0]=3 486 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,1,1,0,0,0|1,0,0]=3 487 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,1,1,0,0,0|1,0,0]=3 488 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [0,1,1,0,0,0|1,0,1]=4 489 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,1,1,0,0,0|1,0,0]=3 490 B8R0.6 COCC=CC(=O)CF 1458a_100016285016_100015361967 [0,1,1,0,0,0|2,0,0]=4 491 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [0,1,1,0,0,0|1,0,1]=4 492 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,1,1,0,0,0|1,0,1]=4 493 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,1,1,0,0,0|1,0,1]=4 494 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,1,1,0,0,0|1,0,1]=4 495 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,1,1,0,0,0|1,0,1]=4 496 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,1,1,0,0,0|1,0,1]=4 497 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [0,1,1,0,0,0|1,0,1]=4 498 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [0,1,1,0,0,0|1,0,1]=4 499 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,1,1,0,0,0|1,0,1]=4 500 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,1,1,0,0,0|1,0,1]=4 501 B8R0.7 C/C=C/CNCC(C)O 34a_100000210904_100102629194 [0,1,1,0,0,0|1,0,1]=4 502 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [0,1,1,0,0,0|1,0,1]=4 503 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [0,1,1,0,0,0|1,0,1]=4 504 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [0,1,1,0,0,0|1,0,1]=4 505 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [0,1,1,0,0,0|1,0,1]=4 506 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [0,1,1,0,0,0|1,0,1]=4 507 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [0,1,1,0,0,0|1,0,1]=4 508 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [0,1,1,0,0,0|0,0,2]=4 509 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [0,1,1,0,0,0|0,0,2]=4 510 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [0,1,1,0,0,0|0,0,2]=4 511 B8R0.7 CC=CCNCC(C)O 2230a_100000210904_100000070051 [0,1,1,0,0,0|1,0,1]=4 512 B8R0.7 CC=CCNCC(C)O 34a_100000210904_100000070051 [0,1,1,0,0,0|1,0,1]=4 513 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [0,1,1,0,0,0|1,0,1]=4 514 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [0,1,1,0,0,0|1,0,1]=4 515 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [0,1,1,0,0,0|1,0,1]=4 516 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [0,1,1,0,0,0|1,0,1]=4 517 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,1,1,0,0,0|1,0,0]=3 518 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,1,1,0,0,0|1,0,0]=3 519 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [0,1,1,0,0,0|2,0,0]=4 520 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,1,1,0,0,0|1,0,0]=3 521 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,1,1,0,0,0|1,0,0]=3 522 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,1,1,0,0,0|0,0,2]=4 523 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,1,1,0,0,0|1,0,1]=4 524 B8R0.7 CCNC/C=C/B(O)O 2230a_100015525214_100016262062 [0,1,1,0,0,0|1,0,1]=4 525 B8R0.7 CCOC/C=C/B(O)O 34a_100121572206_100016262062 [0,1,1,0,0,0|1,0,1]=4 526 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,1,1,0,0,0|1,0,1]=4 527 B8R0.7 CCSC/C=C/B(O)O 62a_100000210202_100016262062 [0,1,1,0,0,0|1,0,1]=4 528 B8R0.7 CCSC/C=C/B(O)O 62a_100016262062_100000210202 [0,1,1,0,0,0|1,0,1]=4 529 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,1,1,0,0,0|1,0,1]=4 530 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,1,1,0,0,0|1,0,1]=4 531 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,1,1,0,0,0|1,0,1]=4 532 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,1,1,0,0,0|1,0,1]=4 533 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,1,1,0,0,0|1,0,1]=4 534 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,1,1,0,0,0|1,0,1]=4 535 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,1,1,0,0,0|1,0,0]=3 536 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,1,1,0,0,0|1,0,0]=3 537 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,1,0,0,0|2,0,0]=4 538 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,1,1,0,0,0|2,0,0]=4 539 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,1,0,0,0|2,0,0]=4 540 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,1,1,0,0,0|1,0,1]=4 541 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,1,1,0,0,0|1,0,1]=4 542 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [0,1,1,0,0,0|2,0,0]=4 543 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,1,0,0,0|1,0,1]=4 544 B8R0.21 CC(C)(O)CNCC=O 2230a_100000751335_200015260668 [0,1,1,0,0,0|1,0,1]=4 545 B8R0.21 CC(C)(O)CSCC=O 62a_100000764493_200015260668 [0,1,1,0,0,0|1,0,1]=4 546 B8R0.21 CC(C)(O)CSCC=O 62a_200015260668_100000764493 [0,1,1,0,0,0|1,0,1]=4 547 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,1,1,0,0,0|2,0,0]=4 548 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,1,1,0,0,0|0,0,2]=4 549 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,1,1,0,0,0|1,0,1]=4 550 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,1,1,0,0,0|1,0,1]=4 551 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,1,1,0,0,0|1,0,1]=4 552 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,1,1,0,0,0|1,0,1]=4 553 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,1,1,0,0,0|2,0,0]=4 554 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,1,1,0,0,0|1,0,1]=4 555 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,1,1,0,0,0|1,0,1]=4 556 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,1,1,0,0,0|1,0,1]=4 557 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,1,1,0,0,0|1,0,1]=4 558 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,1,1,0,0,0|1,0,1]=4 559 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,1,1,0,0,0|1,0,1]=4 560 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,1,1,0,0,0|1,0,1]=4 561 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,1,1,0,0,0|1,0,1]=4 562 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,1,1,0,0,0|1,0,1]=4 563 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,1,1,0,0,0|1,0,1]=4 564 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,1,1,0,0,0|2,0,0]=4 565 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,1,1,0,0,0|1,0,1]=4 566 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,1,1,0,0,0|1,0,1]=4 567 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,1,1,0,0,0|1,0,1]=4 568 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,1,1,0,0,0|1,0,1]=4 569 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,1,1,0,0,0|1,0,1]=4 570 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,1,1,0,0,0|1,0,1]=4 571 B8R0.1 C#CCC(C)OCC=O 34a_100000685586_200009817547 [0,1,1,0,0,0|0,0,2]=4 572 B8R0.1 C#CCC(C)OCC=O 7a_100000685586_200015260668 [0,1,1,0,0,0|0,0,2]=4 573 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [0,1,1,0,0,0|1,0,1]=4 574 B8R0.1 C#CCNC(=O)C=CC 11a_100000212058_100000210699 [0,1,1,0,0,0|1,0,1]=4 575 B8R0.1 C#CCNC(=O)C=CC 1626a_100000212058_100000210699 [0,1,1,0,0,0|1,0,1]=4 576 B8R0.1 C#CCNC(=O)C=CC 240690a_100000212058_100000210699 [0,1,1,0,0,0|1,0,1]=4 577 B8R0.1 C#CCO[C@H](C)CC=C 34a_100000731007_100000184674 [0,1,1,0,0,0|1,0,1]=4 578 B8R0.1 C#CCO[C@H](C)CC=C 7a_100000731007_100000038162 [0,1,1,0,0,0|1,0,1]=4 579 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [0,1,1,0,0,0|0,0,2]=4 580 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [0,1,1,0,0,0|1,0,1]=4 581 B8R0.1 C/C=C/C(C)OCCF 34a_200102604097_100011217306 [0,1,1,0,0,0|1,0,1]=4 582 B8R0.1 C/C=C/C(C)OCCO 34a_200102604097_100000211926 [0,1,1,0,0,0|1,0,1]=4 583 B8R0.1 C/C=C/C(C)OCSC 34a_200102604097_100011218213 [0,1,1,0,0,0|1,0,1]=4 584 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,1,1,0,0,0|1,0,0]=3 585 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,1,1,0,0,0|2,0,0]=4 586 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,1,1,0,0,0|2,0,0]=4 587 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,1,1,0,0,0|2,0,0]=4 588 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,1,1,0,0,0|1,0,1]=4 589 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,1,1,0,0,0|0,0,2]=4 590 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,1,1,0,0,0|1,0,1]=4 591 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,1,1,0,0,0|1,0,1]=4 592 B8R0.1 C=CCC(C)COCF 34a_100009832082_100015361967 [0,1,1,0,0,0|1,0,1]=4 593 B8R0.1 C=CCC(C)COCF 7a_100009832082_100015361967 [0,1,1,0,0,0|1,0,1]=4 594 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,1,1,0,0,0|1,0,1]=4 595 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,1,1,0,0,0|1,0,1]=4 596 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,1,1,0,0,0|1,0,1]=4 597 B8R0.1 C=CCCC(C)OCF 34a_100000765329_100015361967 [0,1,1,0,0,0|1,0,1]=4 598 B8R0.1 C=CCCC(C)OCF 7a_100000765329_100015361967 [0,1,1,0,0,0|1,0,1]=4 599 B8R0.1 C=CCCN(C)CC=O 2230a_100020639649_200015260668 [0,1,1,0,0,0|2,0,0]=4 600 B8R0.1 C=CCCN(C)CC=O 269982a_100020639649_200015260668 [0,1,1,0,0,0|2,0,0]=4 601 B8R0.1 C=CCNC(=O)C=CC 1626a_100020586998_100000210699 [0,1,1,0,0,0|1,0,1]=4 602 B8R0.1 C=CCNC(=O)C=CC 240690a_100020586998_100000210699 [0,1,1,0,0,0|1,0,1]=4 603 B8R0.1 C=CCOC(C)/C=C/C 34a_200102604097_100015514636 [0,1,1,0,0,0|2,0,0]=4 604 B8R0.1 C=CCO[C@H](C)CC=C 34a_100000731007_100015514636 [0,1,1,0,0,0|1,0,0]=3 605 B8R0.1 C=CCO[C@H](C)CC=C 7a_100000731007_100015514636 [0,1,1,0,0,0|1,0,0]=3 606 B8R0.1 C=CC[C@@H](C)OCC#N 7a_100000731007_100011215382 [0,1,1,0,0,0|1,0,1]=4 607 B8R0.1 C=CC[C@@H](C)OCC=O 34a_100000731007_200009817547 [0,1,1,0,0,0|0,0,0]=2 608 B8R0.1 C=CC[C@@H](C)OCC=O 7a_100000731007_200015260668 [0,1,1,0,0,0|0,0,0]=2 609 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [0,1,1,0,0,0|1,0,1]=4 610 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [0,1,1,0,0,0|1,0,1]=4 611 B8R0.1 C=CC[C@@H](C)OCCF 34a_100000731007_100011217306 [0,1,1,0,0,0|1,0,1]=4 612 B8R0.1 C=CC[C@@H](C)OCCF 7a_100000731007_100011217306 [0,1,1,0,0,0|1,0,1]=4 613 B8R0.1 C=CC[C@@H](C)OCCO 34a_100000731007_100000211926 [0,1,1,0,0,0|0,0,2]=4 614 B8R0.1 C=CC[C@@H](C)OCCO 7a_100000731007_100000211926 [0,1,1,0,0,0|0,0,2]=4 615 B8R0.1 C=CC[C@@H](C)OCSC 34a_100000731007_100011218213 [0,1,1,0,0,0|0,1,1]=4 616 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,1,1,0,0,0|1,0,1]=4 617 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,1,1,0,0,0|1,0,1]=4 618 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,1,1,0,0,0|1,0,1]=4 619 B8R0.1 CC#CCC(=O)C=CC 1458a_100000210699_100000748600 [0,1,1,0,0,0|1,0,1]=4 620 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [0,1,1,0,0,0|1,0,1]=4 621 B8R0.1 CC=CC(=NNCC)C 4a_100000756455_100011218416 [0,1,1,0,0,0|2,0,0]=4 622 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,1,1,0,0,0|1,0,1]=4 623 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [0,1,1,0,0,0|1,0,1]=4 624 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,1,1,0,0,0|1,0,0]=3 625 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,1,1,0,0,0|1,0,0]=3 626 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,1,1,0,0,0|1,0,0]=3 627 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,1,1,0,0,0|1,0,0]=3 628 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,1,1,0,0,0|1,0,0]=3 629 B8R0.1 CC=CC(=O)NCC#N 1626a_100000734998_100000210699 [0,1,1,0,0,0|1,0,1]=4 630 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,1,1,0,0,0|1,0,0]=3 631 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,1,1,0,0,0|1,0,0]=3 632 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,1,1,0,0,0|1,0,0]=3 633 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,1,1,0,0,0|1,0,0]=3 634 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,1,1,0,0,0|1,0,0]=3 635 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,1,1,0,0,0|1,0,0]=3 636 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,1,1,0,0,0|1,0,0]=3 637 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [0,1,1,0,0,0|1,0,0]=3 638 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,1,1,0,0,0|1,0,1]=4 639 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,1,1,0,0,0|1,0,0]=3 640 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,1,1,0,0,0|1,0,0]=3 641 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,1,1,0,0,0|2,0,0]=4 642 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,1,1,0,0,0|2,0,0]=4 643 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,1,1,0,0,0|2,0,0]=4 644 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,1,1,0,0,0|2,0,0]=4 645 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,1,1,0,0,0|2,0,0]=4 646 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,1,1,0,0,0|1,0,0]=3 647 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,1,1,0,0,0|1,0,0]=3 648 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,1,1,0,0,0|1,0,0]=3 649 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,1,1,0,0,0|2,0,0]=4 650 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,1,1,0,0,0|2,0,0]=4 651 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,1,0,0,0|1,0,0]=3 652 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,1,1,0,0,0|2,0,0]=4 653 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,1,1,0,0,0|2,0,0]=4 654 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,1,0,0,0|1,0,0]=3 655 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,1,0,0,0|1,0,0]=3 656 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,1,1,0,0,0|2,0,0]=4 657 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,1,1,0,0,0|1,0,0]=3 658 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,1,1,0,0,0|0,0,2]=4 659 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,1,0,0,0|0,0,2]=4 660 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,1,0,0,0|0,0,2]=4 661 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,1,0,0,0|0,0,2]=4 662 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,1,0,0,0|0,0,2]=4 663 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,1,0,0,0|0,0,2]=4 664 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,1,1,0,0,0|0,0,2]=4 665 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,1,1,0,0,0|0,0,2]=4 666 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,1,1,0,0,0|2,0,0]=4 667 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,1,1,0,0,0|2,0,0]=4 668 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,1,1,0,0,0|2,0,0]=4 669 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,1,1,0,0,0|2,0,0]=4 670 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,1,1,0,0,0|2,0,0]=4 671 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,1,1,0,0,0|2,0,0]=4 672 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,1,1,0,0,0|2,0,0]=4 673 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,1,1,0,0,0|2,0,0]=4 674 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,1,1,0,0,0|2,0,0]=4 675 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,1,0,0,0|1,0,1]=4 676 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,1,0,0,0|1,0,1]=4 677 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,1,0,0,0|1,0,1]=4 678 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,1,0,0,0|1,0,1]=4 679 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,1,1,0,0,0|1,0,1]=4 680 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,1,1,0,0,0|1,0,1]=4 681 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,1,1,0,0,0|1,0,1]=4 682 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,1,1,0,0,0|1,0,1]=4 683 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,1,1,0,0,0|1,0,0]=3 684 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,1,1,0,0,0|1,0,1]=4 685 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,1,1,0,0,0|1,0,1]=4 686 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,1,1,0,0,0|1,0,1]=4 687 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,1,1,0,0,0|1,0,1]=4 688 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,1,1,0,0,0|0,0,2]=4 689 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,1,1,0,0,0|0,0,2]=4 690 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,1,1,0,0,0|0,0,2]=4 691 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,1,1,0,0,0|0,0,2]=4 692 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,1,1,0,0,0|0,0,2]=4 693 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,1,0,0,0|0,0,2]=4 694 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,1,0,0,0|0,0,2]=4 695 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,1,0,0,0|0,0,2]=4 696 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,1,0,0,0|0,0,2]=4 697 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,1,1,0,0,0|0,0,2]=4 698 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,1,1,0,0,0|0,0,2]=4 699 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,1,1,0,0,0|1,0,1]=4 700 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,1,1,0,0,0|1,0,1]=4 701 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,1,0,0,0|1,0,1]=4 702 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,1,0,0,0|1,0,1]=4 703 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,1,1,0,0,0|2,0,0]=4 704 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,1,1,0,0,0|0,0,2]=4 705 B8R0.1 CNNC(=O)C=COC 22a_100016993582_100016268678 [0,1,1,0,0,0|2,0,0]=4 706 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [0,1,1,0,0,0|2,0,0]=4 707 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,1,1,0,0,0|2,0,0]=4 708 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [0,1,1,0,0,0|2,0,0]=4 709 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [0,1,1,0,0,0|2,0,0]=4 710 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [0,1,1,0,0,0|2,0,0]=4 711 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [0,1,1,0,0,0|1,0,1]=4 712 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,1,1,0,0,0|2,0,0]=4 713 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,1,1,0,0,0|2,0,0]=4 714 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,1,1,0,0,0|2,0,0]=4 715 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [0,1,1,0,0,0|2,0,0]=4 716 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,1,1,0,0,0|2,0,0]=4 717 B8R0.1 O=C(C=CBr)NCCF 1626a_100000724931_100016273825 [0,1,1,0,0,0|2,0,0]=4 718 B8R0.1 O=C(C=CBr)NCCF 240690a_100000724931_100016273825 [0,1,1,0,0,0|2,0,0]=4 719 B8R0.1 O=C(C=CBr)NCCO 240690a_100000210304_100016273825 [0,1,1,0,0,0|2,0,0]=4 720 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [0,1,1,0,0,0|2,0,0]=4 721 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,1,1,0,0,0|2,0,0]=4 722 B8R0.1 O=C(C=CCl)NCCF 11a_100000724931_200016279998 [0,1,1,0,0,0|2,0,0]=4 723 B8R0.1 O=C(C=CCl)NCCF 1626a_100000724931_200016279998 [0,1,1,0,0,0|2,0,0]=4 724 B8R0.1 O=C(C=CCl)NCCF 240690a_100000724931_200016279998 [0,1,1,0,0,0|2,0,0]=4 725 B8R0.1 O=C(C=CCl)NCCO 240690a_100000210304_200016279998 [0,1,1,0,0,0|2,0,0]=4 726 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [0,1,1,0,0,0|2,0,0]=4 727 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,1,1,0,0,0|2,0,0]=4 728 B8R0.1 O=C(C=CI)NCCF 1626a_100000724931_100016256311 [0,1,1,0,0,0|2,0,0]=4 729 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,1,1,0,0,0|1,0,0]=3 730 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,1,1,0,0,0|2,0,0]=4 731 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,1,1,0,0,0|2,0,0]=4 732 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,1,1,0,0,0|1,0,0]=3 733 B8R0.3 C/C=C(\C)/C(=O)NNC 22a_100016993582_100020587367 [0,1,1,0,0,0|2,0,0]=4 734 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 34a_100015455354_100000210202 [0,1,1,0,0,0|1,0,1]=4 735 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7a_100015455354_100000210202 [0,1,1,0,0,0|1,0,1]=4 736 B8R0.3 C=C[C@@H](C)[C@@H](C)OCF 34a_100015455354_100015361967 [0,1,1,0,0,0|1,0,1]=4 737 B8R0.3 C=C[C@@H](C)[C@@H](C)OCF 7a_100015455354_100015361967 [0,1,1,0,0,0|1,0,1]=4 738 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,1,1,0,0,0|1,0,0]=3 739 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,1,1,0,0,0|1,0,0]=3 740 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,1,1,0,0,0|1,0,0]=3 741 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,1,1,0,0,0|1,0,0]=3 742 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [0,1,1,0,0,0|2,0,0]=4 743 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [0,1,1,0,0,0|2,0,0]=4 744 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [0,1,1,0,0,0|2,0,0]=4 745 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,1,0,0,0|2,0,0]=4 746 B8R0.3 CCN(C)C(=O)C=CBr 1626a_100000225621_100016273825 [0,1,1,0,0,0|2,0,0]=4 747 B8R0.3 CCN(C)C(=O)C=CBr 240690a_100000225621_100016273825 [0,1,1,0,0,0|2,0,0]=4 748 B8R0.3 CCN(C)C(=O)C=CCl 11a_100000225621_200016279998 [0,1,1,0,0,0|2,0,0]=4 749 B8R0.3 CCN(C)C(=O)C=CCl 1626a_100000225621_200016279998 [0,1,1,0,0,0|2,0,0]=4 750 B8R0.3 CCN(C)C(=O)C=CCl 240690a_100000225621_200016279998 [0,1,1,0,0,0|2,0,0]=4 751 B8R0.3 CCN(C)C(=O)C=CI 1626a_100000225621_100016256311 [0,1,1,0,0,0|2,0,0]=4 752 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,1,0,0,0|1,0,1]=4 753 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,1,1,0,0,0|2,0,0]=4 754 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,1,1,0,0,0|2,0,0]=4 755 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,1,1,0,0,0|2,0,0]=4 756 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,1,1,0,0,0|2,0,0]=4 757 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,1,1,0,0,0|2,0,0]=4 758 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,1,0,0,0|2,0,0]=4 759 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,1,0,0,0|2,0,0]=4 760 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,1,0,0,0|2,0,0]=4 761 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,1,1,0,0,0|1,0,0]=3 762 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,1,1,0,0,0|1,0,0]=3 763 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,1,1,0,0,0|1,0,0]=3 764 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,1,1,0,0,0|1,0,1]=4 765 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,1,1,0,0,0|1,0,1]=4 766 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,1,1,0,0,0|1,0,1]=4 767 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,1,1,0,0,0|1,0,1]=4 768 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,1,1,0,0,0|1,0,1]=4 769 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,1,1,0,0,0|1,0,1]=4 770 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,1,1,0,0,0|1,0,1]=4 771 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,1,1,0,0,0|1,0,1]=4 772 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,1,1,0,0,0|1,0,1]=4 773 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,1,1,0,0,0|1,0,1]=4 774 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,1,1,0,0,0|1,0,1]=4 775 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,1,1,0,0,0|1,0,1]=4 776 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,1,1,0,0,0|1,0,1]=4 777 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,1,1,0,0,0|1,0,1]=4 778 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,1,1,0,0,0|1,0,1]=4 779 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,1,1,0,0,0|1,0,1]=4 780 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,1,1,0,0,0|1,0,1]=4 781 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,1,1,0,0,0|1,0,1]=4 782 B8R0.22 C=CCC(CC=C)OC 7a_100011215198_200000210301 [0,1,1,0,0,0|2,0,0]=4 783 B8R0.22 C=CCC(CC=C)O[13CH3] 7a_100011215198_200025704644 [0,1,1,0,0,0|2,0,0]=4 784 B8R0.30 C=CCC(C)(C)OCC 7a_100011995686_100000210202 [0,1,1,0,0,0|1,0,1]=4 785 B8R0.30 C=CCC(C)(C)OCF 7a_100011995686_100015361967 [0,1,1,0,0,0|1,0,1]=4 786 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,1,0,0,0,0|1,0,1]=4 787 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,1,0,0,0,0|1,0,1]=4 788 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,1,0,0,1,0|2,0,0]=4 789 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,0,1,0|1,0,0]=3 790 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,0,1,0|1,0,1]=4 791 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,1,0,0,1,0|2,0,0]=4 792 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,0,1,0|1,0,0]=3 793 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,0,1,0|1,0,0]=3 794 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [0,1,0,0,1,0|0,0,2]=4 795 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [0,1,0,0,1,0|1,0,1]=4 796 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,1,0,0,1,0|0,0,2]=4 797 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,1,0,0,1,0|2,0,0]=4 798 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,0,1,0|1,0,1]=4 799 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,1,0,0,1,0|2,0,0]=4 800 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,0,1,0|1,0,0]=3 801 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,0,1,0|0,0,2]=4 802 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,0,1,0|0,0,2]=4 803 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,0,1,0|0,0,2]=4 804 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,0,1,0|1,0,1]=4 805 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,0,1,0|1,0,1]=4 806 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,0,1,0|1,0,1]=4 807 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,0,1,0|1,0,1]=4 808 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,0,1,0|1,0,1]=4 809 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,0,1,0|2,0,0]=4 810 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,0,1,0|2,0,0]=4 811 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,0,1,0|0,0,2]=4 812 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,0,1,0|0,0,2]=4 813 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,0,1,0|1,0,1]=4 814 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,0,1,0|1,0,1]=4 815 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,0,1,0|0,0,2]=4 816 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,0,1,0|0,0,2]=4 817 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,0,1,0|1,0,1]=4 818 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,0,1,0|1,0,1]=4 819 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,0,1,0|1,0,1]=4 820 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,0,1,0|1,0,1]=4 821 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,0,1,0|2,0,0]=4 822 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,0,1,0|2,0,0]=4 823 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,0,1,0|0,0,2]=4 824 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,0,1,0|1,0,1]=4 825 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,0,1,0|0,0,2]=4 826 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,0,1,0|0,0,2]=4 827 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,0,1,0|1,0,1]=4 828 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,0,1,0|1,0,1]=4 829 B10R1.8 COc1cc(oc(=O)c1)C 34a_100000210952_200000210301 [0,2,0,0,0,0|0,0,2]=4 830 B10R1.8 COc1cc(oc(=O)c1)C 7a_100000210952_200000210301 [0,2,0,0,0,0|0,0,2]=4 831 B10R1.8 Cc1cc(cc(=O)o1)O[13CH3] 34a_100000210952_200025704644 [0,2,0,0,0,0|0,0,2]=4 832 B10R1.8 Cc1cc(cc(=O)o1)O[13CH3] 7a_100000210952_200025704644 [0,2,0,0,0,0|0,0,2]=4 833 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [0,0,1,1,0,0|1,0,0]=3 834 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [0,0,1,1,0,0|2,0,0]=4 835 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [0,0,1,1,0,0|2,0,0]=4 836 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [0,0,1,1,0,0|2,0,0]=4 837 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [0,0,1,1,0,0|1,0,0]=3 838 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [0,0,1,1,0,0|1,0,0]=3 839 B8R1.40 C=CC(C)OC1CC1 34a_100000695699_100000211595 [0,0,1,1,0,0|1,0,1]=4 840 B8R1.6 O=CCN1CC(C1)O 269982a_100000749847_200015260668 [0,0,1,1,0,0|1,0,1]=4 841 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,1,1,0,0|1,0,0]=3 842 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,1,1,0,0|2,0,0]=4 843 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,1,1,0,0|2,0,0]=4 844 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,1,1,0,0|1,0,0]=3 845 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,1,1,0,0|2,0,0]=4 846 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,1,1,0,0|2,0,0]=4 847 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,1,1,0,0|1,0,0]=3 848 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,1,1,0,0|1,0,1]=4 849 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,1,1,0,0|1,0,0]=3 850 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [0,0,1,1,0,0|1,0,1]=4 851 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [0,0,1,1,0,0|1,0,1]=4 852 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [0,0,1,1,0,0|1,0,1]=4 853 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [0,0,1,1,0,0|1,0,1]=4 854 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [0,0,1,1,0,0|1,0,1]=4 855 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,0,1,1,0,0|2,0,0]=4 856 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,0,1,1,0,0|2,0,0]=4 857 B8R1.8 O=CCN1CC=CC1 269982a_100015195280_200015260668 [0,0,1,1,0,0|2,0,0]=4 858 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,0,1,0,1,0|0,0,2]=4 859 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,0,1,0,1,0|0,0,0]=2 860 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,0,1,0,1,0|1,0,0]=3 861 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,0,1,0,1,0|1,0,0]=3 862 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,0,1,0,1,0|0,0,2]=4 863 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,0,1,0,1,0|0,0,2]=4 864 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,0,1,0,1,0|1,0,1]=4 865 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,0,1,0,1,0|1,0,1]=4 866 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,0,1,0,1,0|0,0,2]=4 867 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,0,1,0,1,0|0,0,2]=4 868 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,1,0,1,0|0,0,2]=4 869 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,1,0,1,0|0,0,2]=4 870 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,1,0,1,0|0,0,2]=4 871 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,0,1,0,1,0|1,0,1]=4 872 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,0,1,0,1,0|1,0,1]=4 873 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,0,1,0,1,0|1,0,1]=4 874 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,0,1,0,1,0|1,0,1]=4 875 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,0,1,0|1,0,1]=4 876 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [1,0,0,0,1,0|0,0,2]=4 877 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,0,1,0|1,0,1]=4