0 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,0,0,0,0,0|1,0,3]=4 1 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,0,0,0,0,0|1,0,3]=4 2 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,0,0,0,0,0|2,0,2]=4 10 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,0,0,0,0,0|2,0,2]=4 11 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,0,0,0,0,0|1,0,2]=3 14 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [0,0,0,0,0,0|2,0,1]=3 15 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,0,0,0,0,0|1,0,3]=4 17 B7R1.2 Cc1cn(nn1)C 274090a_200000210301_200000242740 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.2 Cc1cn(nn1)[13CH3] 274090a_200025704644_200000242740 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,0,0,0,0,0|2,0,2]=4 20 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,0,0,0,0,0|1,0,2]=3 21 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [0,0,0,0,0,0|2,0,2]=4 22 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [0,0,0,0,0,0|2,0,2]=4 24 B7R1.2 Cc1nc(n[nH]1)O 271570a_203496583355_100000732540 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.2 Cc1nc(no1)O 271570a_203496583355_100012003639 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,0,0,0,0,0|2,0,2]=4 27 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.2 Cc1nnc(s1)O 271570a_203496583355_100000686958 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.2 Cc1noc(n1)O 270196a_100000212224_100015183105 [0,0,0,0,0,0|3,0,1]=4 31 B7R1.2 Cc1nsc(n1)O 271570a_203496583355_100000709739 [0,0,0,0,0,0|3,0,1]=4 32 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [0,0,0,0,0,0|2,0,2]=4 33 B7R1.2 Cn1cc(nn1)O 271570a_203496583355_100000760339 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [0,0,0,0,0,0|2,0,2]=4 35 B7R1.2 Nc1cc(n[nH]1)O 271570a_203496583355_100009822546 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.2 Oc1cc(n[nH]1)Br 271570a_203496583355_100160470719 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,0,0,0,0,0|1,0,3]=4 38 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,0,0,0,0,0|1,0,3]=4 39 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [0,0,0,0,0,0|2,0,2]=4 40 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [0,0,0,0,0,0|2,0,2]=4 41 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [0,0,0,0,0,0|2,0,2]=4 42 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,0,0,0|2,0,1]=3 43 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,0,0,0|1,0,2]=4 44 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,0,0,0|1,0,2]=4 45 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,0,0,0|1,0,2]=4 46 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [1,0,0,0,0,0|2,0,1]=4 47 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [1,0,0,0,0,0|2,0,1]=4 48 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [1,0,0,0,0,0|2,0,1]=4 49 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [1,0,0,0,0,0|1,0,2]=4 50 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [1,0,0,0,0,0|1,0,2]=4 51 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [1,0,0,0,0,0|1,0,2]=4 52 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [1,0,0,0,0,0|1,0,2]=4 53 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [1,0,0,0,0,0|2,0,1]=4 54 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,0,0,0|1,0,2]=4 55 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,0,0,0|1,0,2]=4 56 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,0,0,0|1,0,2]=4 57 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [1,0,0,0,0,0|2,0,1]=4 58 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.1 C=Cc1cc([nH]n1)C 271570a_100011290941_100015199547 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [0,1,0,0,0,0|2,0,1]=4 61 B8R1.1 C=Cc1cc(ns1)C 271570a_100011290941_100009815735 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [0,1,0,0,0,0|2,0,1]=4 63 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,1,0,0,0,0|2,0,1]=4 64 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,1,0,0,0,0|1,0,2]=4 65 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,1,0,0,0,0|1,0,2]=4 66 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,0,0,0|0,0,2]=3 68 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,1,0,0,0,0|1,0,2]=4 69 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.1 CSc1cc([nH]n1)C 62a_100009819999_200000210301 [0,1,0,0,0,0|2,1,0]=4 72 B8R1.1 CSc1cc([nH]n1)C 62a_200000210301_100009819999 [0,1,0,0,0,0|2,1,0]=4 73 B8R1.1 CSc1cc([nH]n1)N 62a_100009822546_200000210301 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.1 CSc1cc([nH]n1)N 62a_200000210301_100009822546 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,1,0,0,0,0|1,1,1]=4 76 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,1,0,0,0,0|1,1,1]=4 77 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [0,1,0,0,0,0|1,0,2]=4 78 B8R1.1 CSc1cc(n[nH]1)Br 62a_100160470719_200000210301 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.1 CSc1cc(n[nH]1)Br 62a_200000210301_100160470719 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.1 CSc1cc(ns1)C 62a_100009815735_200000210301 [0,1,0,0,0,0|2,1,0]=4 81 B8R1.1 CSc1cc(ns1)C 62a_200000210301_100009815735 [0,1,0,0,0,0|2,1,0]=4 82 B8R1.1 CSc1cc(on1)C 62a_100000716708_200000210301 [0,1,0,0,0,0|2,1,0]=4 83 B8R1.1 CSc1cc(on1)C 62a_200000210301_100000716708 [0,1,0,0,0,0|2,1,0]=4 84 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [0,1,0,0,0,0|1,1,1]=4 85 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [0,1,0,0,0,0|1,1,1]=4 86 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [0,1,0,0,0,0|1,1,1]=4 87 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [0,1,0,0,0,0|1,1,1]=4 88 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_100009819999_200025704644 [0,1,0,0,0,0|2,1,0]=4 89 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_200025704644_100009819999 [0,1,0,0,0,0|2,1,0]=4 90 B8R1.1 Cc1cc(no1)S[13CH3] 62a_100000716708_200025704644 [0,1,0,0,0,0|2,1,0]=4 91 B8R1.1 Cc1cc(no1)S[13CH3] 62a_200025704644_100000716708 [0,1,0,0,0,0|2,1,0]=4 92 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_100009815735_200025704644 [0,1,0,0,0,0|2,1,0]=4 93 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_200025704644_100009815735 [0,1,0,0,0,0|2,1,0]=4 94 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,1,0,0,0,0|1,1,1]=4 95 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,1,0,0,0,0|1,1,1]=4 96 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [0,1,0,0,0,0|2,0,1]=4 97 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [0,1,0,0,0,0|2,0,1]=4 100 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [0,1,0,0,0,0|1,0,2]=4 101 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,1,0,0,0,0|1,0,2]=4 102 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,0,0,0|0,0,2]=3 103 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,1,0,0,0,0|1,0,2]=4 104 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_100009822546_200025704644 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_200025704644_100009822546 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_100160470719_200025704644 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_200025704644_100160470719 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [0,1,0,0,0,0|1,0,2]=4 110 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,1,0,0,0,0|2,0,1]=4 111 B8R1.18 Cc1cc(n(n1)C)O 271570a_203496583355_100009818511 [0,1,0,0,0,0|2,0,1]=4 112 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [0,1,0,0,0,0|2,0,1]=4 113 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,1,0,0,0,0|1,0,2]=4 114 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.50 Cc1[nH]nc(c1C)O 271570a_203496583355_100015309786 [0,1,0,0,0,0|2,0,1]=4 116 B8R1.50 Cc1n[nH]c(c1O)C 271570a_203496583355_100000238710 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.50 Cc1n[nH]c(c1O)N 271570a_203496583355_100000182022 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.50 Cc1noc(c1O)C 271570a_203496583355_100000694658 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.50 Cc1noc(c1O)N 271570a_203496583355_100000754107 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.50 Cc1nsc(c1O)N 271570a_203496583355_100000701153 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.50 Cc1onc(c1O)N 271570a_203496583355_100011216220 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.50 Cc1onc(c1O)O 271570a_203496583355_100010730664 [0,1,0,0,0,0|2,0,1]=4 123 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [0,1,0,0,0,0|1,0,2]=4 124 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,0,1,0,0,0|0,0,3]=4 125 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,0,1,0,0,0|0,0,3]=4 126 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,0,1,0,0,0|2,0,1]=4 127 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,0,1,0,0,0|2,0,1]=4 128 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,1,0,0,0|0,0,2]=3 129 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,1,0,0,0|0,0,2]=3 130 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,0,1,0,0,0|1,0,2]=4 131 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,0,1,0,0,0|1,0,2]=4 132 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,0,1,0,0,0|1,0,2]=4 133 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,0,1,0,0,0|1,0,2]=4 134 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,0,1,0,0,0|1,0,2]=4 135 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,0,1,0,0,0|1,0,2]=4 136 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,0,1,0,0,0|2,0,1]=4 137 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,0,1,0,0,0|2,0,1]=4 138 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,0,1,0,0,0|2,0,1]=4 139 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,0,1,0,0,0|2,0,1]=4 140 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,0,1,0,0,0|0,0,2]=3 141 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,0,1,0,0,0|1,0,2]=4 142 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,1,0,0,0|0,0,0]=1 143 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,0,1,0,0,0|1,0,0]=2 144 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,0,1,0,0,0|1,0,0]=2 145 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,0,1,0,0,0|1,0,0]=2 146 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,0,1,0,0,0|1,0,0]=2 147 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,0,1,0,0,0|1,0,0]=2 148 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,0,1,0,0,0|1,0,0]=2 149 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,0,1,0,0,0|1,0,0]=2 150 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,0,1,0,0,0|1,0,2]=4 151 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,0,1,0,0,0|1,0,2]=4 152 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,0,1,0,0,0|1,0,2]=4 153 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,0,1,0,0,0|1,0,2]=4 154 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,0,1,0,0,0|1,0,2]=4 155 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,0,1,0,0,0|1,0,1]=3 156 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,0,1,0,0,0|1,0,1]=3 157 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,0,1,0,0,0|1,0,1]=3 158 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,0,1,0,0,0|1,0,1]=3 159 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,0,1,0,0,0|1,0,1]=3 160 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,0,1,0,0,0|1,0,1]=3 161 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,0,1,0,0,0|1,0,1]=3 162 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,0,1,0,0,0|1,0,1]=3 163 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,0,1,0,0,0|1,0,1]=3 164 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,0,1,0,0,0|2,0,0]=3 165 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,1,0,0,0|0,0,2]=3 166 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,1,0,0,0|0,0,2]=3 167 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,1,0,0,0|1,0,2]=4 168 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,1,0,0,0|1,0,2]=4 169 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,1,0,0,0|1,0,2]=4 170 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,1,0,0,0|1,0,2]=4 171 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,1,0,0,0|1,0,2]=4 172 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,1,0,0,0|1,0,2]=4 173 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,0,1,0,0,0|1,0,1]=3 174 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,0,1,0,0,0|1,0,1]=3 175 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,1,0,0,0|1,0,1]=3 176 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,1,0,0,0|1,0,1]=3 177 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,1,0,0,0|1,0,1]=3 178 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,1,0,0,0|2,0,1]=4 179 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,1,0,0,0|2,0,1]=4 180 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,1,0,0,0|2,0,1]=4 181 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,1,0,0,0|2,0,1]=4 182 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,1,0,0,0|2,0,1]=4 183 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,1,0,0,0|2,0,1]=4 184 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,1,0,0,0|2,0,1]=4 185 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,1,0,0,0|2,0,1]=4 186 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,0,1,0,0,0|2,0,0]=3 187 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,0,1,0,0,0|2,0,0]=3 188 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,0,1,0,0,0|2,0,0]=3 189 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,0,1,0,0,0|2,0,0]=3 190 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,0,1,0,0,0|2,0,0]=3 191 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,0,1,0,0,0|2,0,0]=3 192 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,0,1,0,0,0|2,0,1]=4 193 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,0,1,0,0,0|2,0,1]=4 194 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,0,1,0,0,0|2,0,1]=4 195 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,0,1,0,0,0|2,0,1]=4 196 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,0,1,0,0,0|2,0,1]=4 197 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,0,1,0,0,0|2,0,1]=4 198 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,0,1,0,0,0|2,0,1]=4 199 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,0,1,0,0,0|2,0,1]=4 200 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,0,1,0,0,0|2,0,1]=4 201 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,0,1,0,0,0|2,0,1]=4 202 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,0,1,0,0,0|2,0,1]=4 203 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,0,1,0,0,0|2,0,1]=4 204 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,0,1,0,0,0|2,0,1]=4 205 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,0,1,0,0,0|2,0,1]=4 206 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,0,1,0,0,0|2,0,1]=4 207 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,0,1,0,0,0|2,0,1]=4 208 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,0,1,0,0,0|2,0,1]=4 209 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,0,1,0,0,0|2,0,1]=4 210 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,0,1,0,0,0|2,0,1]=4 211 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,0,1,0,0,0|2,0,1]=4 212 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,0,1,0,0,0|2,0,1]=4 213 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,0,1,0,0,0|2,0,1]=4 214 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,0,1,0,0,0|2,0,1]=4 215 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,0,1,0,0,0|3,0,0]=4 216 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,0,1,0,0,0|3,0,0]=4 217 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,0,1,0,0,0|3,0,0]=4 218 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,0,1,0,0,0|3,0,0]=4 219 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,0,1,0,0,0|2,0,1]=4 220 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,0,1,0,0,0|2,0,1]=4 221 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,0,1,0,0,0|2,0,1]=4 222 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,0,1,0,0,0|2,0,1]=4 223 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,0,1,0,0,0|2,0,1]=4 224 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,0,1,0,0,0|2,0,1]=4 225 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,0,1,0,0,0|2,0,1]=4 226 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,0,1,0,0,0|2,0,0]=3 227 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,0,1,0,0,0|2,0,0]=3 228 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,0,1,0,0,0|2,0,0]=3 229 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,1,0,0,0|0,0,2]=3 230 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,0,1,0,0,0|2,0,1]=4 231 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,0,1,0,0,0|2,0,1]=4 232 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,0,1,0,0,0|2,0,1]=4 233 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,0,1,0,0,0|2,0,1]=4 234 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,0,1,0,0,0|2,0,1]=4 235 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,0,1,0,0,0|2,0,1]=4 236 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,0,1,0,0,0|1,0,2]=4 237 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,1,0,0,0|0,0,0]=1 238 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,1,0,0,0|1,0,0]=2 239 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,1,0,0,0|1,0,0]=2 240 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,1,0,0,0|0,0,0]=1 241 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,1,0,0,0|1,0,0]=2 242 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,1,0,0,0|1,0,0]=2 243 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,0,1,0,0,0|2,0,0]=3 244 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,1,0,0,0|2,0,1]=4 245 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,1,0,0,0|2,0,1]=4 246 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,1,0,0,0|2,0,1]=4 247 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,1,0,0,0|0,0,2]=3 248 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,1,0,0,0|0,0,2]=3 249 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,1,0,0,0|1,0,2]=4 250 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,1,0,0,0|1,0,1]=3 251 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,1,0,0,0|1,0,2]=4 252 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,1,0,0,0|1,0,1]=3 253 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,1,0,0,0|1,0,1]=3 254 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,1,0,0,0|1,0,1]=3 255 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,1,0,0,0|1,0,1]=3 256 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,1,0,0,0|1,0,1]=3 257 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,1,0,0,0|0,0,2]=3 258 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,1,0,0,0|2,0,1]=4 259 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,1,0,0,0|2,0,1]=4 260 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,1,0,0,0|2,0,1]=4 261 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,1,0,0,0|2,0,1]=4 262 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,1,0,0,0|1,0,1]=3 263 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,0,1,0,0,0|2,0,1]=4 264 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,1,0,0,0|2,0,1]=4 265 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,1,0,0,0|2,0,1]=4 266 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,1,0,0,0|1,0,2]=4 267 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,1,0,0,0|1,0,1]=3 268 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,0,1,0,0,0|2,0,0]=3 269 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,0,1,0,0,0|2,0,1]=4 270 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,0,1,0,0,0|0,0,3]=4 271 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,0,1,0,0,0|0,0,3]=4 272 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,0,1,0,0,0|0,0,3]=4 273 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,0,1,0,0,0|0,0,2]=3 274 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,0,1,0,0,0|2,0,0]=3 275 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,0,1,0,0,0|2,0,0]=3 276 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,0,1,0,0,0|2,0,0]=3 277 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,0,1,0,0,0|2,0,0]=3 278 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,0,1,0,0,0|2,0,0]=3 279 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,0,1,0,0,0|2,0,0]=3 280 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,0,1,0,0,0|2,0,0]=3 281 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,0,1,0,0,0|2,0,0]=3 282 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,0,1,0,0,0|2,0,0]=3 283 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,0,1,0,0,0|2,0,0]=3 284 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,0,1,0,0,0|2,0,0]=3 285 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,0,1,0,0,0|2,0,0]=3 286 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,0,1,0,0,0|2,0,1]=4 287 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,0,1,0,0,0|2,0,1]=4 288 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,0,1,0,0,0|2,0,1]=4 289 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,0,1,0,0,0|2,0,1]=4 290 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,0,1,0,0,0|2,0,1]=4 291 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,0,1,0,0,0|2,0,1]=4 292 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,0,1,0,0,0|2,0,1]=4 293 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,0,1,0,0,0|2,0,1]=4 294 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [0,0,1,0,0,0|2,0,1]=4 295 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,0,1,0,0,0|2,0,1]=4 296 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,0,1,0,0,0|2,0,1]=4 297 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,0,1,0,0,0|2,0,1]=4 298 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,0,1,0,0,0|2,0,1]=4 299 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,0,1,0,0,0|0,0,2]=3 300 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,0,1,0,0,0|0,0,2]=3 301 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,0,1,0,0,0|0,0,2]=3 302 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,0,1,0,0,0|2,0,1]=4 303 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,0,1,0,0,0|2,0,1]=4 304 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,0,1,0,0,0|2,0,1]=4 305 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,0,1,0,0,0|2,0,1]=4 306 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,0,1,0,0,0|2,0,1]=4 307 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,0,1,0,0,0|2,0,1]=4 308 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,0,1,0,0,0|1,0,2]=4 309 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,0,1,0,0,0|1,0,2]=4 310 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,0,1,0,0,0|1,0,2]=4 311 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,0,1,0,0,0|0,0,3]=4 312 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,0,1,0,0,0|1,0,2]=4 313 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,0,1,0,0,0|1,0,2]=4 314 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,0,1,0,0,0|1,0,2]=4 315 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,0,1,0,0,0|1,0,2]=4 316 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,0,1,0,0,0|1,0,1]=3 317 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,0,1,0,0,0|1,0,1]=3 318 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,0,1,0,0,0|1,0,1]=3 319 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,0,1,0,0,0|1,0,1]=3 320 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,0,1,0,0,0|2,0,1]=4 321 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,0,1,0,0,0|2,0,1]=4 322 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,0,1,0,0,0|1,0,2]=4 323 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,0,1,0,0,0|1,0,2]=4 324 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,0,1,0,0,0|1,0,2]=4 325 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,0,1,0,0,0|1,0,2]=4 326 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,0,1,0,0,0|1,0,2]=4 327 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,0,1,0,0,0|0,0,2]=3 328 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,0,1,0,0,0|0,0,2]=3 329 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,0,1,0,0,0|0,0,2]=3 330 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,0,1,0,0,0|2,0,1]=4 331 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,0,1,0,0,0|0,0,2]=3 332 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,0,1,0,0,0|0,0,2]=3 333 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,0,1,0,0,0|0,0,2]=3 334 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,0,1,0,0,0|1,0,2]=4 335 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,0,1,0,0,0|1,0,2]=4 336 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,0,1,0,0,0|1,0,2]=4 337 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,0,1,0,0,0|1,0,2]=4 338 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,0,1,0,0,0|2,0,1]=4 339 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,0,1,0,0,0|2,0,1]=4 340 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,0,1,0,0,0|2,0,1]=4 341 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,0,1,0,0,0|1,0,2]=4 342 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,0,1,0,0,0|1,0,2]=4 343 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,0,1,0,0,0|2,0,1]=4 344 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,0,1,0,0,0|1,0,2]=4 345 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,0,1,0,0,0|2,0,1]=4 346 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,0,1,0,0,0|1,0,2]=4 347 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,0,1,0,0,0|2,0,1]=4 348 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,0,1,0,0,0|2,0,1]=4 349 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,0,1,0,0,0|1,0,2]=4 350 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,0,1,0,0,0|2,0,1]=4 351 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,0,1,0,0,0|2,0,1]=4 352 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,0,1,0,0,0|1,0,1]=3 353 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,0,1,0,0,0|2,0,0]=3 354 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,0,1,0,0,0|2,0,0]=3 355 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,0,1,0,0,0|2,0,0]=3 356 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,0,1,0,0,0|2,0,1]=4 357 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,0,1,0,0,0|3,0,0]=4 358 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,0,1,0,0,0|1,0,1]=3 359 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,0,1,0,0,0|1,0,1]=3 360 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,0,1,0,0,0|1,0,1]=3 361 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,0,1,0,0,0|1,0,1]=3 362 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,0,1,0,0,0|2,0,0]=3 363 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,0,1,0,0,0|2,0,0]=3 364 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,0,1,0,0,0|2,0,0]=3 365 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,0,1,0,0,0|1,0,1]=3 366 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,0,1,0,0,0|2,0,1]=4 367 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,0,1,0,0,0|1,0,1]=3 368 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,0,1,0,0,0|1,0,1]=3 369 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,0,1,0,0,0|1,0,1]=3 370 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,0,1,0,0,0|1,0,1]=3 371 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,0,1,0,0,0|2,0,0]=3 372 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,0,1,0,0,0|2,0,0]=3 373 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,0,1,0,0,0|1,0,1]=3 374 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,0,1,0,0,0|2,0,1]=4 375 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,0,1,0,0,0|2,0,1]=4 376 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,0,1,0,0,0|1,0,2]=4 377 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,0,1,0,0,0|3,0,0]=4 378 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,0,1,0,0,0|2,0,0]=3 379 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,0,1,0,0,0|2,0,0]=3 380 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,0,1,0,0,0|2,0,0]=3 381 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,0,1,0,0,0|2,0,0]=3 382 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,0,0,1,0|2,0,1]=4 383 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,0,0,1,0|2,0,1]=4 384 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,0,0,1,0|2,0,1]=4 385 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,0,0,1,0|2,0,1]=4 386 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,0,0,0,0,1|2,0,1]=4 387 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,0,0,0,0,1|2,0,1]=4 388 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,0,0,0,0,1|2,0,1]=4 389 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,0,0,0,0,1|2,0,1]=4 390 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,0,0,0,0,1|2,0,1]=4 391 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,0,0,0,0,1|2,0,1]=4 392 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,0,0,0,0,1|2,0,0]=3 393 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,0,0,0,0,1|2,0,0]=3 394 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,0,0,0,0,1|2,0,0]=3 395 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,0,0,0,0,1|2,0,0]=3 396 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,0,0,0,0,1|2,0,0]=3 397 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,0,0,0,0,1|2,0,0]=3 398 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,0,0,0,0,1|2,0,1]=4 399 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,0,0,0,0,1|2,0,1]=4 400 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [0,0,0,0,0,1|0,0,3]=4 401 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [0,0,0,0,0,1|0,0,3]=4 402 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [0,0,0,0,0,1|0,0,3]=4 403 B8R1.3 Cc1ccc(nn1)O 271570a_203496583355_100011450037 [0,0,0,0,0,1|2,0,1]=4 404 B8R1.3 Cc1cnc(cn1)O 271570a_203496583355_100011999403 [0,0,0,0,0,1|1,0,2]=4 405 B8R1.3 Cc1cnc(nc1)O 271570a_203496583355_100011825175 [0,0,0,0,0,1|1,0,2]=4 406 B8R1.3 Cc1ncc(cn1)O 271570a_203496583355_100000686985 [0,0,0,0,0,1|1,0,2]=4 407 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [0,0,0,0,0,1|1,0,2]=4 408 B8R1.3 O=c1ccc(n[nH]1)O 271570a_203496583355_100009820020 [0,0,0,0,0,1|3,0,0]=4 409 B8R1.3 O=c1ncc(c[nH]1)O 271570a_203496583355_102495366499 [0,0,0,0,0,1|2,0,1]=4 410 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,0,0,0,0,1|2,0,1]=4 411 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,0,0,0,0,1|2,0,1]=4 412 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,0,0,0,0,1|2,0,1]=4 413 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,0,0,0,0,1|2,0,1]=4 414 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,0,0,0,0,1|2,0,1]=4 415 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,0,0,0,0,1|2,0,1]=4 416 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,0,0,0,0,1|2,0,1]=4 417 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,0,0,0,0,1|2,0,1]=4 418 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,0,0,1|1,0,1]=3 419 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,0,0,1|1,0,1]=3 420 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [0,0,0,0,0,1|0,0,3]=4 421 B8R1.4 Cc1cc(ncn1)O 271570a_203496583355_100000744208 [0,0,0,0,0,1|1,0,2]=4 422 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,0,0,0,0,1|0,0,3]=4 423 B8R1.4 Cc1ccnc(c1)O 271570a_203496583355_100000750283 [0,0,0,0,0,1|0,0,3]=4 424 B8R1.4 Cc1cncc(c1)O 271570a_203496583355_100000760492 [0,0,0,0,0,1|0,0,3]=4 425 B8R1.4 Cc1cnnc(c1)O 271570a_203496583355_100000070100 [0,0,0,0,0,1|1,0,2]=4 426 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [0,0,0,0,0,1|1,0,2]=4 427 B8R1.4 O=c1cc(cn[nH]1)O 271570a_203496583355_100010197405 [0,0,0,0,0,1|2,0,1]=4 428 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,0,0,1|1,0,1]=3 429 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,0,0,1|1,0,1]=3 430 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,1,0,0,0|1,0,1]=4 431 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,1,0,0,0|1,0,1]=4 432 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,1,0,0,0|1,0,1]=4 433 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,1,0,0,0|1,0,1]=4 434 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,1,0,0,0|1,0,1]=4 435 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,1,0,0,0|1,0,1]=4 436 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,1,0,0,0|1,0,1]=4 437 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,1,0,0,0|1,0,1]=4 438 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,1,0,0,0|1,0,1]=4 439 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,1,0,0,0|1,0,1]=4 440 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,0,1,0,0,0|2,0,0]=4 441 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,0,1,0,0,0|2,0,0]=4 442 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,0,1,0,0,0|2,0,0]=4 443 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,0,1,0,0,0|2,0,0]=4 444 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,0,1,0,0,0|2,0,0]=4 445 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,0,1,0,0,0|2,0,0]=4 446 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,0,1,0,0,0|2,0,0]=4 447 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,0,1,0,0,0|2,0,0]=4 448 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,0,1,0,0,0|2,0,0]=4 449 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,0,1,0,0,0|2,0,0]=4 450 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,1,0,0,0|0,0,2]=4 451 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,1,0,0,0|0,0,2]=4 452 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,1,0,0,0|0,0,2]=4 453 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,1,0,0,0|0,0,2]=4 454 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,1,0,0,0|0,0,2]=4 455 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,1,0,0,0|1,0,0]=3 456 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,1,0,0,0|1,0,0]=3 457 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,1,0,0,0|1,0,0]=3 458 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,1,0,0,0|1,0,1]=4 459 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,1,0,0,0|1,0,1]=4 460 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,1,0,0,0|1,0,1]=4 461 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,1,0,0,0|1,0,1]=4 462 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,1,0,0,0|0,0,0]=2 463 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,1,0,0,0|0,0,0]=2 464 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,1,0,0,0|0,0,1]=3 465 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,1,0,0,0|0,0,1]=3 466 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,1,0,0,0|0,0,1]=3 467 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,1,0,0,0|1,0,1]=4 468 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,1,0,0,0|1,0,1]=4 469 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,1,0,0,0|1,0,1]=4 470 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,0,1,0,0,0|1,0,1]=4 471 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,0,1,0,0,0|1,0,1]=4 472 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,1,0,0,0|2,0,0]=4 473 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,1,0,0,0|2,0,0]=4 474 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,1,0,0,0|2,0,0]=4 475 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,1,0,0,0|2,0,0]=4 476 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,1,0,0,0|2,0,0]=4 477 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,1,0,0,0|2,0,0]=4 478 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,1,0,0,0|2,0,0]=4 479 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,1,0,0,0|1,0,1]=4 480 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,1,0,0,0|1,0,1]=4 481 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,1,0,0,0|2,0,0]=4 482 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,1,0,0,0|1,0,1]=4 483 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,1,0,0,0|2,0,0]=4 484 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,1,0,0,0|1,0,1]=4 485 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,1,0,0,0|2,0,0]=4 486 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,1,0,0,0|2,0,0]=4 487 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,1,0,0,0|1,0,1]=4 488 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,1,0,0,0|2,0,0]=4 489 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,1,0,0,0|2,0,0]=4 490 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,1,0,0,0|1,0,0]=3 491 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,1,0,0,0|1,0,0]=3 492 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,1,0,0,0|1,0,0]=3 493 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,1,0,0,0|1,0,1]=4 494 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,1,0,0,0|2,0,0]=4 495 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,1,0,0,0|2,0,0]=4 496 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,1,0,0,0|2,0,0]=4 497 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,1,0,0,0|2,0,0]=4 498 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,1,0,0,0|2,0,0]=4 499 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,1,0,0,0|2,0,0]=4 500 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,1,0,0,0|1,0,1]=4 501 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,1,0,0,0|1,0,1]=4 502 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,1,0,0,0|1,0,1]=4 503 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,1,0,0,0|1,0,1]=4 504 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,1,0,0,0|1,0,1]=4 505 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,1,0,0,0|1,0,1]=4 506 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,1,0,0,0|1,0,1]=4 507 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,1,0,0,0|1,0,1]=4 508 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,1,0,0,0|1,0,1]=4 509 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,1,0,0,0|1,0,0]=3 510 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,1,0,0,0|1,0,0]=3 511 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,1,0,0,0|1,0,0]=3 512 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,1,0,0,0|1,0,0]=3 513 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,1,0,0,0|1,0,0]=3 514 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,1,0,0,0|1,0,0]=3 515 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,1,0,0,0|1,0,0]=3 516 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,1,0,0,0|1,0,0]=3 517 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,1,0,0,0|1,0,0]=3 518 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,1,0,0,0|1,0,0]=3 519 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,1,0,0,0|1,0,0]=3 520 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,1,0,0,0|1,0,0]=3 521 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,1,0,0,0|1,0,1]=4 522 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,1,0,0,0|1,0,1]=4 523 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,1,0,0,0|1,0,1]=4 524 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,1,0,0,0|1,0,1]=4 525 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,1,0,0,0|1,0,1]=4 526 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,1,0,0,0|1,0,1]=4 527 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,1,0,0,0|1,0,1]=4 528 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,1,0,0,0|1,0,1]=4 529 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,1,0,0,0|1,0,1]=4 530 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,1,0,0,0|1,0,1]=4 531 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,1,0,0,0|1,0,1]=4 532 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,1,0,0,0|1,0,1]=4 533 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,1,0,0,0|1,0,1]=4 534 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,1,0,0,0|1,0,1]=4 535 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,1,0,0,0|2,0,0]=4 536 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,1,0,0,0|1,0,1]=4 537 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,1,0,0,0|1,0,1]=4 538 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,1,0,0,0|1,0,1]=4 539 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,1,0,0,0|1,0,1]=4 540 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,1,0,0,0|0,0,2]=4 541 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,1,0,0,0|0,0,0]=2 542 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,1,0,0,0|1,0,0]=3 543 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,1,0,0,0|1,0,0]=3 544 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,1,0,0,0|1,0,0]=3 545 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,1,0,0,0|1,0,1]=4 546 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,1,0,0,0|1,0,1]=4 547 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,1,0,0,0|1,0,1]=4 548 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,1,0,0,0|1,0,1]=4 549 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,1,0,0,0|0,0,1]=3 550 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,1,0,0,0|1,0,1]=4 551 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,1,0,0,0|1,0,1]=4 552 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,1,0,0,0|1,0,0]=3 553 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 554 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 555 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 556 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,1,0,0,0|2,0,0]=4 557 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,1,0,0,0|2,0,0]=4 558 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,1,0,0,0|2,0,0]=4 559 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,1,0,0,0|2,0,0]=4 560 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,1,0,0,0|2,0,0]=4 561 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,1,0,0,0|0,0,1]=3 562 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,1,1,0,0,0|1,0,1]=4 563 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,1,1,0,0,0|0,0,2]=4 564 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,1,1,0,0,0|1,0,0]=3 565 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,1,1,0,0,0|1,0,0]=3 566 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [0,1,1,0,0,0|1,0,0]=3 567 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,1,1,0,0,0|0,0,0]=2 568 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,1,1,0,0,0|0,0,0]=2 569 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,1,0,0,0|0,0,0]=2 570 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,1,1,0,0,0|0,0,0]=2 571 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,1,1,0,0,0|0,0,0]=2 572 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,1,1,0,0,0|1,0,0]=3 573 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,1,0,0,0|0,0,1]=3 574 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,1,0,0,0|1,0,1]=4 575 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,1,0,0,0|1,0,1]=4 576 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,1,1,0,0,0|1,0,1]=4 577 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,1,0,0,0|0,0,2]=4 578 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,1,0,0,0|0,0,2]=4 579 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,1,0,0,0|0,0,2]=4 580 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,1,1,0,0,0|1,0,1]=4 581 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,1,1,0,0,0|1,0,1]=4 582 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,1,0,0,0|0,0,2]=4 583 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,1,1,0,0,0|1,0,1]=4 584 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,1,0,0,0|1,0,1]=4 585 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,1,0,0,0|1,0,1]=4 586 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,1,0,0,0|1,0,1]=4 587 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,1,0,0,0|1,0,1]=4 588 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,1,0,0,0|0,0,2]=4 589 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,1,0,0,0|0,0,2]=4 590 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,1,0,0,0|0,0,2]=4 591 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,1,0,0,0|1,0,1]=4 592 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,1,0,0,0|1,0,1]=4 593 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,1,0,0,0|1,0,1]=4 594 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,1,0,0,0|1,0,1]=4 595 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,1,1,0,0,0|1,0,1]=4 596 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,1,1,0,0,0|1,0,1]=4 597 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,1,1,0,0,0|1,0,1]=4 598 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,1,1,0,0,0|1,0,1]=4 599 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,1,1,0,0,0|1,0,1]=4 600 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,1,1,0,0,0|1,0,1]=4 601 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,1,1,0,0,0|1,0,1]=4 602 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,1,1,0,0,0|1,0,1]=4 603 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,1,1,0,0,0|1,0,1]=4 604 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,1,0,0,0|0,0,2]=4 605 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,1,1,0,0,0|1,0,0]=3 606 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,1,1,0,0,0|1,0,0]=3 607 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,1,1,0,0,0|1,0,0]=3 608 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,1,1,0,0,0|1,0,0]=3 609 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,1,1,0,0,0|1,0,0]=3 610 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,1,1,0,0,0|1,0,0]=3 611 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,1,1,0,0,0|1,0,0]=3 612 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,1,1,0,0,0|1,0,0]=3 613 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,1,1,0,0,0|2,0,0]=4 614 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,1,1,0,0,0|2,0,0]=4 615 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,1,0,0,0|1,0,1]=4 616 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,1,0,0,0|1,0,1]=4 617 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,1,0,0,0|1,0,1]=4 618 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,1,0,0,0|1,0,1]=4 619 B7R0.2 O=C(C=C(Cl)Cl)CF 1458a_100000137448_100015361967 [0,1,1,0,0,0|2,0,0]=4 620 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,1,1,0,0,0|0,0,2]=4 621 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,1,1,0,0,0|0,0,2]=4 622 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,1,0,0,0|0,0,0]=2 623 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,1,1,0,0,0|1,0,0]=3 624 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [0,1,1,0,0,0|2,0,0]=4 625 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,1,1,0,0,0|0,0,2]=4 626 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,1,1,0,0,0|0,0,2]=4 627 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,1,1,0,0,0|0,0,1]=3 628 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [0,1,1,0,0,0|1,0,1]=4 629 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [0,1,1,0,0,0|1,0,1]=4 630 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,1,0,0,0|0,0,2]=4 631 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,1,0,0,0|0,0,2]=4 632 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,1,1,0,0,0|0,0,2]=4 633 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,1,1,0,0,0|0,0,2]=4 634 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,1,1,0,0,0|0,0,2]=4 635 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,1,1,0,0,0|0,0,2]=4 636 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,1,0,0,0|0,0,0]=2 637 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,1,0,0,0|0,0,0]=2 638 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,1,1,0,0,0|1,0,0]=3 639 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,1,1,0,0,0|1,0,0]=3 640 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,1,1,0,0,0|1,0,0]=3 641 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,1,1,0,0,0|1,0,0]=3 642 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,1,1,0,0,0|1,0,0]=3 643 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,1,1,0,0,0|1,0,0]=3 644 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [0,1,1,0,0,0|2,0,0]=4 645 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,1,1,0,0,0|1,0,0]=3 646 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,1,1,0,0,0|0,0,2]=4 647 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,1,1,0,0,0|0,0,2]=4 648 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,1,1,0,0,0|0,0,0]=2 649 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,1,0,0,0|0,0,2]=4 650 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,1,0,0,0|0,0,2]=4 651 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,1,0,0,0|0,0,2]=4 652 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,1,0,0,0|0,0,2]=4 653 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,1,0,0,0|0,0,2]=4 654 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,1,0,0,0|0,0,2]=4 655 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,1,1,0,0,0|1,0,1]=4 656 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,1,1,0,0,0|1,0,1]=4 657 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,1,1,0,0,0|1,0,1]=4 658 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,1,0,0,0|1,0,1]=4 659 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,1,0,0,0|1,0,1]=4 660 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,1,0,0,0|1,0,1]=4 661 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,1,0,0,0|1,0,1]=4 662 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,1,0,0,0|1,0,1]=4 663 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,1,0,0,0|1,0,1]=4 664 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,1,1,0,0,0|0,0,2]=4 665 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,1,1,0,0,0|0,0,2]=4 666 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,1,1,0,0,0|0,0,2]=4 667 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,1,1,0,0,0|0,0,2]=4 668 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,1,0,0,0|0,0,0]=2 669 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,1,1,0,0,0|1,0,0]=3 670 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,1,1,0,0,0|1,0,0]=3 671 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,1,1,0,0,0|1,0,0]=3 672 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,1,1,0,0,0|1,0,0]=3 673 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,1,0,0,0|0,0,2]=4 674 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,1,0,0,0|0,0,2]=4 675 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,1,0,0,0|0,0,2]=4 676 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,1,0,0,0|0,0,2]=4 677 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,1,0,0,0|0,0,2]=4 678 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,1,0,0,0|0,0,2]=4 679 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,1,1,0,0,0|1,0,1]=4 680 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,1,0,0,0|0,0,2]=4 681 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,1,0,0,0|0,0,2]=4 682 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,1,1,0,0,0|0,0,2]=4 683 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,1,1,0,0,0|0,0,2]=4 684 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,1,1,0,0,0|0,0,2]=4 685 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,1,1,0,0,0|1,0,0]=3 686 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,1,1,0,0,0|1,0,0]=3 687 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [0,1,1,0,0,0|1,0,0]=3 688 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,1,1,0,0,0|0,0,2]=4 689 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,1,1,0,0,0|0,0,2]=4 690 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,1,1,0,0,0|0,0,2]=4 691 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,1,1,0,0,0|0,0,2]=4 692 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,1,1,0,0,0|0,0,2]=4 693 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,1,1,0,0,0|0,0,2]=4 694 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,1,1,0,0,0|1,0,0]=3 695 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,1,1,0,0,0|1,0,0]=3 696 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,1,1,0,0,0|1,0,0]=3 697 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,1,1,0,0,0|1,0,1]=4 698 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,1,1,0,0,0|1,0,1]=4 699 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [0,1,1,0,0,0|1,0,1]=4 700 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,1,1,0,0,0|0,0,0]=2 701 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,1,1,0,0,0|1,0,0]=3 702 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,1,1,0,0,0|1,0,0]=3 703 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,1,1,0,0,0|1,0,0]=3 704 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,1,0,0,0|0,0,2]=4 705 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,1,0,0,0|0,0,2]=4 706 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,1,1,0,0,0|0,0,2]=4 707 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,1,0,0,0|0,0,2]=4 708 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,1,0,0,0|0,0,2]=4 709 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,1,0,0,0|1,0,1]=4 710 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,1,0,0,0|1,0,1]=4 711 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,1,0,0,0|1,0,1]=4 712 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,1,0,0,0|1,0,1]=4 713 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,1,0,0,0|1,0,1]=4 714 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,1,0,0,0|1,0,1]=4 715 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,1,0,0,0|1,0,1]=4 716 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,1,0,0,0|1,0,1]=4 717 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [0,1,1,0,0,0|2,0,0]=4 718 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [0,1,1,0,0,0|2,0,0]=4 719 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [0,1,1,0,0,0|2,0,0]=4 720 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [0,1,1,0,0,0|2,0,0]=4 721 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [0,1,1,0,0,0|2,0,0]=4 722 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [0,1,1,0,0,0|2,0,0]=4 723 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,1,1,0,0,0|1,0,1]=4 724 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,1,1,0,0,0|1,0,1]=4 725 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,1,1,0,0,0|1,0,1]=4 726 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,1,1,0,0,0|2,0,0]=4 727 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,1,1,0,0,0|2,0,0]=4 728 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,1,1,0,0,0|2,0,0]=4 729 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,1,1,0,0,0|2,0,0]=4 730 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,1,0,0,0|1,0,1]=4 731 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,1,0,0,0|1,0,1]=4 732 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,1,1,0,0,0|1,0,1]=4 733 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,1,1,0,0,0|1,0,1]=4 734 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,1,1,0,0,0|1,0,1]=4 735 B7R0.7 C#CCC(=O)C=CBr 1458a_100016273825_100000184674 [0,1,1,0,0,0|1,0,1]=4 736 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,1,1,0,0,0|0,0,1]=3 737 B7R0.7 C#CCC(=O)C=CCl 1458a_200016279998_100000184674 [0,1,1,0,0,0|1,0,1]=4 738 B7R0.7 C#CCC(=O)C=CI 1458a_100016256311_100000184674 [0,1,1,0,0,0|1,0,1]=4 739 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,1,1,0,0,0|1,0,1]=4 740 B7R0.7 C=CCC(=O)C=CBr 1458a_100016273825_100000210623 [0,1,1,0,0,0|1,0,1]=4 741 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,1,1,0,0,0|0,0,1]=3 742 B7R0.7 C=CCC(=O)C=CCl 1458a_200016279998_100000210623 [0,1,1,0,0,0|1,0,1]=4 743 B7R0.7 C=CCC(=O)C=CI 1458a_100016256311_100000210623 [0,1,1,0,0,0|1,0,1]=4 744 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,1,0,0,0|0,0,2]=4 745 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,1,0,0,0|0,0,2]=4 746 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,1,1,0,0,0|0,0,2]=4 747 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,1,1,0,0,0|0,0,2]=4 748 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,1,1,0,0,0|0,0,2]=4 749 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,1,1,0,0,0|0,0,2]=4 750 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,1,1,0,0,0|0,0,2]=4 751 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,1,0,0,0|0,0,2]=4 752 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,1,0,0,0|0,0,2]=4 753 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,1,0,0,0|0,0,2]=4 754 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,1,1,0,0,0|1,0,1]=4 755 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,1,1,0,0,0|1,0,1]=4 756 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,1,1,0,0,0|1,0,1]=4 757 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,1,1,0,0,0|1,0,1]=4 758 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,1,1,0,0,0|1,0,1]=4 759 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,1,1,0,0,0|1,0,1]=4 760 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,1,1,0,0,0|1,0,1]=4 761 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,1,1,0,0,0|0,0,2]=4 762 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,1,1,0,0,0|0,0,2]=4 763 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,1,1,0,0,0|0,0,2]=4 764 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,1,1,0,0,0|0,0,1]=3 765 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,1,0,0,0|0,0,0]=2 766 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,1,1,0,0,0|0,0,0]=2 767 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,1,1,0,0,0|0,0,0]=2 768 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,1,1,0,0,0|0,0,0]=2 769 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,1,1,0,0,0|0,0,0]=2 770 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,1,1,0,0,0|1,0,0]=3 771 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,1,1,0,0,0|1,0,0]=3 772 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,1,1,0,0,0|1,0,0]=3 773 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,1,1,0,0,0|1,0,0]=3 774 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,1,0,0,0|0,0,2]=4 775 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,1,1,0,0,0|0,0,2]=4 776 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,1,0,0,0|0,0,2]=4 777 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,1,0,0,0|0,0,2]=4 778 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,1,0,0,0|0,0,2]=4 779 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,1,0,0,0|0,0,2]=4 780 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,1,0,0,0|0,0,2]=4 781 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,1,1,0,0,0|0,0,2]=4 782 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,1,1,0,0,0|0,0,2]=4 783 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,1,1,0,0,0|0,0,2]=4 784 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,1,1,0,0,0|0,0,2]=4 785 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,1,1,0,0,0|0,0,2]=4 786 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,1,0,0,0|0,0,2]=4 787 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,1,0,0,0|0,0,2]=4 788 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,1,0,0,0|0,0,2]=4 789 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,1,1,0,0,0|2,0,0]=4 790 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,1,1,0,0,0|1,0,1]=4 791 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,1,1,0,0,0|1,0,1]=4 792 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,1,1,0,0,0|1,0,0]=3 793 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,1,1,0,0,0|1,0,0]=3 794 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,1,1,0,0,0|1,0,0]=3 795 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,1,0,0,0|1,0,1]=4 796 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,1,1,0,0,0|1,0,1]=4 797 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,1,1,0,0,0|1,0,1]=4 798 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,1,1,0,0,0|1,0,1]=4 799 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,1,1,0,0,0|1,0,1]=4 800 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,1,1,0,0,0|1,0,1]=4 801 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,1,1,0,0,0|1,0,1]=4 802 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,1,1,0,0,0|1,0,1]=4 803 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,1,1,0,0,0|1,0,1]=4 804 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,1,1,0,0,0|1,0,1]=4 805 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,1,1,0,0,0|1,0,1]=4 806 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,1,1,0,0,0|1,0,1]=4 807 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,1,1,0,0,0|1,0,1]=4 808 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,1,1,0,0,0|1,0,1]=4 809 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,1,1,0,0,0|1,0,1]=4 810 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,1,1,0,0,0|1,0,1]=4 811 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,1,1,0,0,0|1,0,1]=4 812 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,1,1,0,0,0|1,0,1]=4 813 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,1,1,0,0,0|1,0,1]=4 814 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,1,1,0,0,0|1,0,1]=4 815 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,1,1,0,0,0|2,0,0]=4 816 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,1,1,0,0,0|2,0,0]=4 817 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,1,1,0,0,0|2,0,0]=4 818 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,1,1,0,0,0|1,0,1]=4 819 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,1,1,0,0,0|1,0,1]=4 820 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,1,1,0,0,0|1,0,1]=4 821 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,1,1,0,0,0|1,0,1]=4 822 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,1,1,0,0,0|1,0,1]=4 823 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,1,1,0,0,0|1,0,1]=4 824 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,1,1,0,0,0|1,0,1]=4 825 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,1,1,0,0,0|1,0,1]=4 826 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,1,1,0,0,0|1,0,1]=4 827 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,1,1,0,0,0|1,0,1]=4 828 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,1,1,0,0,0|2,0,0]=4 829 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,1,1,0,0,0|2,0,0]=4 830 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,1,1,0,0,0|2,0,0]=4 831 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,1,1,0,0,0|1,0,1]=4 832 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,1,1,0,0,0|1,0,1]=4 833 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,1,1,0,0,0|1,0,1]=4 834 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,1,1,0,0,0|1,0,1]=4 835 B7R0.7 N#CCC(=O)C=CBr 1458a_100016273825_100011214920 [0,1,1,0,0,0|1,0,1]=4 836 B7R0.7 N#CCC(=O)C=CCl 1458a_200016279998_100011214920 [0,1,1,0,0,0|1,0,1]=4 837 B7R0.7 N#CCC(=O)C=CI 1458a_100016256311_100011214920 [0,1,1,0,0,0|1,0,1]=4 838 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,1,1,0,0,0|1,0,0]=3 839 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,1,1,0,0,0|1,0,0]=3 840 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,1,1,0,0,0|1,0,0]=3 841 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,1,1,0,0,0|1,0,0]=3 842 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,1,1,0,0,0|1,0,0]=3 843 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,1,1,0,0,0|1,0,0]=3 844 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,1,0,0,0|0,0,0]=2 845 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,1,1,0,0,0|1,0,0]=3 846 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,1,0,0,0|1,0,0]=3 847 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,1,0,0,0|1,0,0]=3 848 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,1,0,0,0|1,0,1]=4 849 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,1,1,0,0,0|2,0,0]=4 850 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,1,1,0,0,0|2,0,0]=4 851 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,1,0,0,0|0,0,2]=4 852 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,1,0,0,0|1,0,0]=3 853 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,1,0,0,0|0,0,2]=4 854 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,1,0,0,0|0,0,2]=4 855 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,1,0,0,0|1,0,1]=4 856 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,1,0,0,0|1,0,1]=4 857 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,1,0,0,0|1,0,1]=4 858 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,1,0,0,0|1,0,1]=4 859 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,1,0,0,0|1,0,1]=4 860 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,1,0,0,0|1,0,1]=4 861 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,1,0,0,0|1,0,1]=4 862 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,1,0,0,0|1,0,1]=4 863 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,1,0,0,0|0,0,2]=4 864 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,1,0,0,0|1,0,1]=4 865 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,1,0,0,0|1,0,1]=4 866 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,1,0,0,0|1,0,1]=4 867 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,1,0,0,0|1,0,1]=4 868 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,1,1,0,0,0|2,0,0]=4 869 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,1,1,0,0,0|2,0,0]=4 870 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,1,1,0,0,0|2,0,0]=4 871 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,1,1,0,0,0|2,0,0]=4 872 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,1,1,0,0,0|2,0,0]=4 873 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,1,1,0,0,0|2,0,0]=4 874 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,1,1,0,0,0|2,0,0]=4 875 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,1,1,0,0,0|2,0,0]=4 876 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [0,1,1,0,0,0|1,0,1]=4 877 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [0,1,1,0,0,0|1,0,1]=4 878 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [0,1,1,0,0,0|1,0,1]=4 879 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,1,1,0,0,0|0,0,2]=4 880 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,1,1,0,0,0|0,0,2]=4 881 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,1,1,0,0,0|1,0,1]=4 882 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,1,1,0,0,0|0,1,1]=4 883 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,1,1,0,0,0|0,1,1]=4 884 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,1,1,0,0,0|1,0,1]=4 885 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,1,1,0,0,0|1,0,1]=4 886 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,1,1,0,0,0|1,0,1]=4 887 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,1,1,0,0,0|1,0,1]=4 888 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,1,1,0,0,0|0,0,2]=4 889 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,1,1,0,0,0|0,0,2]=4 890 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,1,1,0,0,0|1,0,1]=4 891 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,1,1,0,0,0|0,1,1]=4 892 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,1,0,0,0|1,0,1]=4 893 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,1,1,0,0,0|2,0,0]=4 894 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,1,1,0,0,0|2,0,0]=4 895 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,1,0,0,0|1,0,0]=3 896 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,1,1,0,0,0|1,0,1]=4 897 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,1,0,0,0|0,0,2]=4 898 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,1,1,0,0,0|1,0,1]=4 899 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,1,1,0,0,0|1,0,1]=4 900 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,1,0,0,0|1,0,1]=4 901 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,1,0,0,0|1,0,1]=4 902 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,1,0,0,0|1,0,1]=4 903 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,1,0,0,0|1,0,1]=4 904 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,1,1,0,0,0|1,0,1]=4 905 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,1,0,0,0|0,0,2]=4 906 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,1,0,0,0|0,0,2]=4 907 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,1,0,0,0|0,0,2]=4 908 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,1,1,0,0,0|2,0,0]=4 909 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,1,0,0,0|1,0,0]=3 910 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,1,1,0,0,0|1,0,1]=4 911 B7R0.4 C#CCNCC(=C)C 34a_100000212058_100000748629 [0,1,1,0,0,0|1,0,1]=4 912 B7R0.4 C#CCOCC(=C)C 34a_100000210245_100000184674 [0,1,1,0,0,0|1,0,1]=4 913 B7R0.4 C#CCOCC(=C)C 34a_100000210247_100000748629 [0,1,1,0,0,0|1,0,1]=4 914 B7R0.4 C#CCSCC(=C)C 62a_100000038162_100000211660 [0,1,1,0,0,0|1,0,1]=4 915 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,1,1,0,0,0|1,0,1]=4 916 B7R0.4 C=C(Br)CCOCF 34a_100009813270_100015361967 [0,1,1,0,0,0|2,0,0]=4 917 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,1,1,0,0,0|1,0,1]=4 918 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,1,1,0,0,0|1,0,1]=4 919 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,1,1,0,0,0|1,0,1]=4 920 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,1,1,0,0,0|1,0,1]=4 921 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,1,1,0,0,0|1,0,1]=4 922 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,1,1,0,0,0|1,0,1]=4 923 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,1,1,0,0,0|1,0,1]=4 924 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,1,1,0,0,0|1,0,1]=4 925 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,1,1,0,0,0|1,0,1]=4 926 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,1,1,0,0,0|0,0,2]=4 927 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,1,1,0,0,0|0,0,2]=4 928 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,1,1,0,0,0|0,0,0]=2 929 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [0,1,1,0,0,0|1,0,1]=4 930 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,1,1,0,0,0|1,0,1]=4 931 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,1,1,0,0,0|1,0,1]=4 932 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [0,1,1,0,0,0|1,0,1]=4 933 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,1,1,0,0,0|1,0,1]=4 934 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,1,1,0,0,0|0,0,2]=4 935 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,1,1,0,0,0|2,0,0]=4 936 B7R0.4 C=C(C)CSCC#N 62a_100000748629_100011215382 [0,1,1,0,0,0|1,0,1]=4 937 B7R0.4 C=C(C)CSCC#N 62a_100011215382_100000211660 [0,1,1,0,0,0|1,0,1]=4 938 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,1,1,0,0,0|0,0,0]=2 939 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,1,1,0,0,0|0,0,0]=2 940 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,1,1,0,0,0|1,0,1]=4 941 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,1,1,0,0,0|1,0,1]=4 942 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,1,1,0,0,0|1,0,1]=4 943 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,1,1,0,0,0|1,0,1]=4 944 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,1,1,0,0,0|0,0,2]=4 945 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,1,1,0,0,0|0,0,2]=4 946 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,1,1,0,0,0|2,0,0]=4 947 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,1,1,0,0,0|2,0,0]=4 948 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,1,1,0,0,0|2,0,0]=4 949 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,1,1,0,0,0|2,0,0]=4 950 B7R0.4 C=C(F)COCC=O 34a_200010262243_200009817547 [0,1,1,0,0,0|1,0,0]=3 951 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,1,1,0,0,0|1,0,1]=4 952 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,1,1,0,0,0|1,0,1]=4 953 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [0,1,1,0,0,0|2,0,0]=4 954 B7R0.4 C=C(F)CSCC=O 62a_100000042424_200015260668 [0,1,1,0,0,0|1,0,0]=3 955 B7R0.4 C=C(F)CSCC=O 62a_200015260668_100000042424 [0,1,1,0,0,0|1,0,0]=3 956 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,1,1,0,0,0|1,0,1]=4 957 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,1,1,0,0,0|1,0,1]=4 958 B7R0.4 C=C(F)CSCOC 62a_100000042424_100000766300 [0,1,1,0,0,0|2,0,0]=4 959 B7R0.4 C=C(F)CSCOC 62a_100000766300_100000042424 [0,1,1,0,0,0|2,0,0]=4 960 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [0,1,1,0,0,0|2,0,0]=4 961 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [0,1,1,0,0,0|2,0,0]=4 962 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,1,1,0,0,0|0,0,2]=4 963 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,1,1,0,0,0|0,0,2]=4 964 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,1,1,0,0,0|0,0,2]=4 965 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,1,1,0,0,0|0,0,2]=4 966 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,1,1,0,0,0|0,0,2]=4 967 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,1,1,0,0,0|0,0,2]=4 968 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,1,1,0,0,0|0,0,2]=4 969 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [0,1,1,0,0,0|1,0,0]=3 970 B7R0.4 C=CCNCC(=C)F 2230a_100020586998_100009893438 [0,1,1,0,0,0|1,0,1]=4 971 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,1,1,0,0,0|1,0,1]=4 972 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,1,1,0,0,0|1,0,1]=4 973 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,1,1,0,0,0|1,0,1]=4 974 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [0,1,1,0,0,0|1,0,0]=3 975 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [0,1,1,0,0,0|1,0,0]=3 976 B7R0.4 C=CCOCC(=C)F 34a_200000210373_100009893438 [0,1,1,0,0,0|1,0,1]=4 977 B7R0.4 C=CCOCC(=C)F 34a_200010262243_100015514636 [0,1,1,0,0,0|1,0,1]=4 978 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,1,1,0,0,0|0,0,2]=4 979 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,1,1,0,0,0|1,0,1]=4 980 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,1,1,0,0,0|1,0,1]=4 981 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [0,1,1,0,0,0|1,0,0]=3 982 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [0,1,1,0,0,0|1,0,0]=3 983 B7R0.4 C=CCSCC(=C)F 62a_100000042424_100000210623 [0,1,1,0,0,0|1,0,1]=4 984 B7R0.4 C=CCSCC(=C)F 62a_100000210623_100000042424 [0,1,1,0,0,0|1,0,1]=4 985 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,1,1,0,0,0|0,0,2]=4 986 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,1,1,0,0,0|1,0,1]=4 987 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,1,1,0,0,0|1,0,1]=4 988 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,1,1,0,0,0|0,0,2]=4 989 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [0,1,1,0,0,0|1,0,1]=4 990 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [0,1,1,0,0,0|1,0,1]=4 991 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,1,1,0,0,0|0,0,2]=4 992 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,1,1,0,0,0|0,0,2]=4 993 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,1,1,0,0,0|0,0,2]=4 994 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,1,1,0,0,0|0,0,2]=4 995 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,1,1,0,0,0|0,0,2]=4 996 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,1,1,0,0,0|0,0,2]=4 997 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,1,1,0,0,0|0,0,2]=4 998 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,1,1,0,0,0|0,0,2]=4 999 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,1,1,0,0,0|1,0,1]=4 1000 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,1,1,0,0,0|1,0,1]=4 1001 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,1,1,0,0,0|1,0,1]=4 1002 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,1,1,0,0,0|1,0,1]=4 1003 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,1,1,0,0,0|1,0,0]=3 1004 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,1,1,0,0,0|1,0,1]=4 1005 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,1,1,0,0,0|1,0,1]=4 1006 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,1,1,0,0,0|1,0,1]=4 1007 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,1,1,0,0,0|1,0,1]=4 1008 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,1,1,0,0,0|1,0,1]=4 1009 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,1,1,0,0,0|1,0,1]=4 1010 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,1,1,0,0,0|1,0,1]=4 1011 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,1,1,0,0,0|0,0,2]=4 1012 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,1,1,0,0,0|0,0,2]=4 1013 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,1,1,0,0,0|0,0,2]=4 1014 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,1,1,0,0,0|0,0,2]=4 1015 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,1,1,0,0,0|0,0,2]=4 1016 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,1,1,0,0,0|1,0,1]=4 1017 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,1,1,0,0,0|1,0,1]=4 1018 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,1,1,0,0,0|1,0,1]=4 1019 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,1,1,0,0,0|1,0,1]=4 1020 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,1,1,0,0,0|1,0,1]=4 1021 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,1,1,0,0,0|0,0,2]=4 1022 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,1,1,0,0,0|0,0,2]=4 1023 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,1,1,0,0,0|0,0,2]=4 1024 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,1,1,0,0,0|0,0,2]=4 1025 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,1,1,0,0,0|0,0,2]=4 1026 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,1,1,0,0,0|0,0,2]=4 1027 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,1,1,0,0,0|0,0,2]=4 1028 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,1,1,0,0,0|0,0,2]=4 1029 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,1,1,0,0,0|0,0,2]=4 1030 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,1,1,0,0,0|0,0,2]=4 1031 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,1,1,0,0,0|1,0,1]=4 1032 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,1,0,0,0|1,0,1]=4 1033 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,1,0,0,0|0,0,2]=4 1034 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,1,0,0,0|0,0,2]=4 1035 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,1,1,0,0,0|1,0,1]=4 1036 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,1,0,0,0|0,0,2]=4 1037 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,1,1,0,0,0|1,0,1]=4 1038 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,1,1,0,0,0|0,0,2]=4 1039 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,1,1,0,0,0|1,0,1]=4 1040 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,1,1,0,0,0|1,0,1]=4 1041 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,1,1,0,0,0|0,0,2]=4 1042 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,1,1,0,0,0|1,0,1]=4 1043 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,1,1,0,0,0|1,0,1]=4 1044 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,1,1,0,0,0|1,0,1]=4 1045 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,1,1,0,0,0|0,0,2]=4 1046 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,1,1,0,0,0|0,0,2]=4 1047 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,1,1,0,0,0|0,0,2]=4 1048 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,1,1,0,0,0|0,0,2]=4 1049 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,1,1,0,0,0|1,0,1]=4 1050 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,1,1,0,0,0|1,0,1]=4 1051 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,1,1,0,0,0|1,0,1]=4 1052 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,1,1,0,0,0|0,0,2]=4 1053 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,1,1,0,0,0|0,0,2]=4 1054 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,1,1,0,0,0|0,0,2]=4 1055 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,1,1,0,0,0|0,0,2]=4 1056 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,1,1,0,0,0|0,0,2]=4 1057 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,1,1,0,0,0|1,0,1]=4 1058 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,1,1,0,0,0|1,0,1]=4 1059 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,1,1,0,0,0|0,0,2]=4 1060 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,1,1,0,0,0|1,0,1]=4 1061 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,1,1,0,0,0|1,0,1]=4 1062 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,1,1,0,0,0|0,0,2]=4 1063 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,1,1,0,0,0|0,0,2]=4 1064 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,1,1,0,0,0|1,0,1]=4 1065 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,1,1,0,0,0|1,0,1]=4 1066 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,1,1,0,0,0|1,0,1]=4 1067 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,1,1,0,0,0|1,0,1]=4 1068 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,1,1,0,0,0|1,0,1]=4 1069 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,1,1,0,0,0|1,0,1]=4 1070 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,1,1,0,0,0|2,0,0]=4 1071 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,1,1,0,0,0|2,0,0]=4 1072 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,1,1,0,0,0|2,0,0]=4 1073 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,1,1,0,0,0|1,0,1]=4 1074 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,1,1,0,0,0|1,0,1]=4 1075 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,1,1,0,0,0|2,0,0]=4 1076 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,1,1,0,0,0|2,0,0]=4 1077 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,1,1,0,0,0|0,0,2]=4 1078 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,1,1,0,0,0|0,0,2]=4 1079 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,1,1,0,0,0|0,0,2]=4 1080 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,1,1,0,0,0|0,0,2]=4 1081 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,1,1,0,0,0|0,0,2]=4 1082 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,1,1,0,0,0|1,0,1]=4 1083 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,1,1,0,0,0|0,0,2]=4 1084 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,1,1,0,0,0|1,0,1]=4 1085 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,1,1,0,0,0|1,0,1]=4 1086 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,1,1,0,0,0|1,0,1]=4 1087 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,1,1,0,0,0|1,0,1]=4 1088 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,1,1,0,0,0|2,0,0]=4 1089 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,1,1,0,0,0|1,0,1]=4 1090 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,1,1,0,0,0|2,0,0]=4 1091 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,1,1,0,0,0|2,0,0]=4 1092 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,1,1,0,0,0|2,0,0]=4 1093 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,1,1,0,0,0|2,0,0]=4 1094 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,1,1,0,0,0|2,0,0]=4 1095 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,1,1,0,0,0|2,0,0]=4 1096 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,1,1,0,0,0|2,0,0]=4 1097 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,1,1,0,0,0|2,0,0]=4 1098 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,1,1,0,0,0|0,0,2]=4 1099 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,1,1,0,0,0|0,0,2]=4 1100 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,1,1,0,0,0|0,0,2]=4 1101 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,1,1,0,0,0|1,0,1]=4 1102 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,1,1,0,0,0|1,0,1]=4 1103 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,1,1,0,0,0|0,0,2]=4 1104 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,1,1,0,0,0|1,0,1]=4 1105 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,1,1,0,0,0|1,0,1]=4 1106 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,1,1,0,0,0|1,0,1]=4 1107 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,1,1,0,0,0|1,0,1]=4 1108 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,1,1,0,0,0|1,0,1]=4 1109 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,1,1,0,0,0|1,0,1]=4 1110 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,1,1,0,0,0|2,0,0]=4 1111 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,1,1,0,0,0|2,0,0]=4 1112 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,1,1,0,0,0|1,0,1]=4 1113 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,1,1,0,0,0|1,0,1]=4 1114 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,1,1,0,0,0|2,0,0]=4 1115 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,1,1,0,0,0|2,0,0]=4 1116 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,1,1,0,0,0|2,0,0]=4 1117 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,1,1,0,0,0|2,0,0]=4 1118 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,1,1,0,0,0|1,0,1]=4 1119 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,1,1,0,0,0|2,0,0]=4 1120 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,1,1,0,0,0|2,0,0]=4 1121 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,1,1,0,0,0|2,0,0]=4 1122 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,1,1,0,0,0|2,0,0]=4 1123 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,1,1,0,0,0|1,0,1]=4 1124 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,1,1,0,0,0|1,0,1]=4 1125 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,1,1,0,0,0|1,0,1]=4 1126 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,1,1,0,0,0|1,0,1]=4 1127 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,1,1,0,0,0|2,0,0]=4 1128 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,1,1,0,0,0|2,0,0]=4 1129 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,1,1,0,0,0|2,0,0]=4 1130 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,1,1,0,0,0|2,0,0]=4 1131 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,1,1,0,0,0|2,0,0]=4 1132 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,1,1,0,0,0|2,0,0]=4 1133 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,1,1,0,0,0|2,0,0]=4 1134 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,1,1,0,0,0|2,0,0]=4 1135 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [0,1,1,0,0,0|2,0,0]=4 1136 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [0,1,1,0,0,0|2,0,0]=4 1137 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,1,1,0,0,0|0,0,2]=4 1138 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,1,1,0,0,0|1,0,1]=4 1139 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,1,1,0,0,0|2,0,0]=4 1140 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,1,1,0,0,0|2,0,0]=4 1141 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,1,1,0,0,0|2,0,0]=4 1142 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,1,1,0,0,0|1,0,1]=4 1143 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,1,1,0,0,0|1,0,1]=4 1144 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,1,1,0,0,0|2,0,0]=4 1145 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,1,1,0,0,0|2,0,0]=4 1146 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,1,1,0,0,0|2,0,0]=4 1147 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,1,1,0,0,0|2,0,0]=4 1148 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,1,1,0,0,0|0,0,0]=2 1149 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,1,1,0,0,0|0,0,0]=2 1150 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,1,1,0,0,0|0,0,0]=2 1151 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,1,1,0,0,0|2,0,0]=4 1152 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,1,1,0,0,0|2,0,0]=4 1153 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,1,1,0,0,0|1,0,0]=3 1154 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,1,1,0,0,0|1,0,0]=3 1155 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,1,1,0,0,0|1,0,0]=3 1156 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,1,1,0,0,0|1,0,0]=3 1157 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,1,1,0,0,0|0,0,2]=4 1158 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,1,1,0,0,0|0,0,2]=4 1159 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,1,1,0,0,0|0,0,2]=4 1160 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,1,1,0,0,0|1,0,0]=3 1161 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,1,1,0,0,0|0,0,2]=4 1162 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,1,1,0,0,0|0,0,2]=4 1163 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,1,1,0,0,0|0,0,2]=4 1164 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,1,1,0,0,0|1,0,1]=4 1165 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,1,1,0,0,0|2,0,0]=4 1166 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,1,1,0,0,0|1,0,1]=4 1167 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,1,1,0,0,0|1,0,1]=4 1168 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,1,1,0,0,0|2,0,0]=4 1169 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,1,1,0,0,0|1,0,1]=4 1170 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,1,1,0,0,0|1,0,1]=4 1171 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,1,1,0,0,0|2,0,0]=4 1172 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,1,1,0,0,0|2,0,0]=4 1173 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,1,1,0,0,0|2,0,0]=4 1174 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,1,1,0,0,0|1,0,1]=4 1175 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,1,1,0,0,0|1,0,1]=4 1176 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,1,1,0,0,0|1,0,1]=4 1177 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,1,1,0,0,0|0,0,2]=4 1178 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,1,1,0,0,0|1,0,1]=4 1179 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,1,1,0,0,0|1,0,1]=4 1180 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,1,1,0,0,0|1,0,1]=4 1181 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,1,1,0,0,0|1,0,1]=4 1182 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,1,1,0,0,0|1,0,1]=4 1183 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,1,1,0,0,0|1,0,0]=3 1184 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,1,1,0,0,0|2,0,0]=4 1185 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,1,1,0,0,0|2,0,0]=4 1186 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,1,0,0,0,0|1,0,1]=4 1187 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,1,0,0,0,0|1,0,1]=4 1188 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [1,1,0,0,0,0|2,0,0]=4 1189 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [1,1,0,0,0,0|2,0,0]=4 1190 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,1,0,0,0,0|1,0,1]=4 1191 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,1,0,0,0,0|1,0,1]=4 1192 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,1,0,0,0,0|1,0,1]=4 1193 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,1,0,0,0,0|1,0,1]=4 1194 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [1,1,0,0,0,0|1,0,1]=4 1195 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [1,1,0,0,0,0|1,0,1]=4 1196 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [1,1,0,0,0,0|2,0,0]=4 1197 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [1,1,0,0,0,0|2,0,0]=4 1198 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,1,0,0,0,0|1,0,1]=4 1199 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,1,0,0,0,0|1,0,1]=4 1200 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [1,1,0,0,0,0|2,0,0]=4 1201 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [1,1,0,0,0,0|2,0,0]=4 1202 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,1,0,0,0,0|1,0,1]=4 1203 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,1,0,0,0,0|1,0,1]=4 1204 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [1,1,0,0,0,0|2,0,0]=4 1205 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [1,1,0,0,0,0|2,0,0]=4 1206 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,1,0,0,0,0|1,0,1]=4 1207 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,1,0,0,0,0|1,0,1]=4 1208 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,1,0,0,0,0|1,0,1]=4 1209 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,1,0,0,0,0|1,0,1]=4 1210 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [1,1,0,0,0,0|1,0,1]=4 1211 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [1,1,0,0,0,0|1,0,1]=4 1212 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [1,1,0,0,0,0|2,0,0]=4 1213 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [1,1,0,0,0,0|2,0,0]=4 1214 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,1,0,0,0,0|1,0,1]=4 1215 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,1,0,0,0,0|1,0,1]=4 1216 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [1,1,0,0,0,0|2,0,0]=4 1217 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [1,1,0,0,0,0|2,0,0]=4 1218 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [1,1,0,0,0,0|1,0,1]=4 1219 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [1,1,0,0,0,0|1,0,1]=4 1220 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [1,1,0,0,0,0|2,0,0]=4 1221 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [1,1,0,0,0,0|2,0,0]=4 1222 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [1,1,0,0,0,0|1,0,1]=4 1223 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,0,1,0|0,0,1]=3 1224 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,0,1,0|0,0,1]=3 1225 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,0,1,0|0,0,1]=3 1226 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,0,1,0|0,0,1]=3 1227 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,0,1,0|0,0,1]=3 1228 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,0,1,0|0,0,1]=3 1229 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,0,1,0|0,0,1]=3 1230 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,1,0,0,1,0|0,0,2]=4 1231 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,1,0,0,1,0|0,0,2]=4 1232 B9R1.1 CC1=CCN(CC1)CF 269982a_100000693516_100015361967 [0,1,0,0,0,1|2,0,0]=4 1233 B9R1.1 CC1=CCN(CC1)CF 34a_100000693516_100015361967 [0,1,0,0,0,1|2,0,0]=4 1234 B9R1.1 CCN1CC=C(CC1)C 2230a_100000693516_100000210202 [0,1,0,0,0,1|2,0,0]=4 1235 B9R1.1 CCN1CC=C(CC1)C 269982a_100000693516_100000204670 [0,1,0,0,0,1|2,0,0]=4 1236 B9R1.1 CCN1CC=C(CC1)C 34a_100000693516_100000210202 [0,1,0,0,0,1|2,0,0]=4 1237 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,1,0,0,0,1|0,0,2]=4 1238 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,1,0,0,0,1|0,0,2]=4 1239 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,1,0,0,0,1|0,0,2]=4 1240 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,1,0,0,0,1|0,0,2]=4 1241 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,1,0,0,0,1|0,0,2]=4 1242 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [0,1,0,0,0,1|0,0,2]=4 1243 B9R1.1 CSc1ccc(=O)[nH]c1 62a_100000212171_200000210301 [0,1,0,0,0,1|0,0,2]=4 1244 B9R1.1 CSc1ccc(=O)[nH]c1 62a_200000210301_100000212171 [0,1,0,0,0,1|0,0,2]=4 1245 B9R1.1 CSc1ccc(=O)[nH]n1 62a_100009820020_200000210301 [0,1,0,0,0,1|2,0,0]=4 1246 B9R1.1 CSc1ccc(=O)[nH]n1 62a_200000210301_100009820020 [0,1,0,0,0,1|2,0,0]=4 1247 B9R1.1 CSc1cnc(=O)[nH]c1 62a_102495366499_200000210301 [0,1,0,0,0,1|1,0,1]=4 1248 B9R1.1 CSc1cnc(=O)[nH]c1 62a_200000210301_102495366499 [0,1,0,0,0,1|1,0,1]=4 1249 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,1,0,0,0,1|0,0,2]=4 1250 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,1,0,0,0,1|0,0,2]=4 1251 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,1,0,0,0,1|0,0,2]=4 1252 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,1,0,0,0,1|0,0,2]=4 1253 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,1,0,0,0,1|0,0,2]=4 1254 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [0,1,0,0,0,1|0,0,2]=4 1255 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_100000212171_200025704644 [0,1,0,0,0,1|0,0,2]=4 1256 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_200025704644_100000212171 [0,1,0,0,0,1|0,0,2]=4 1257 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_100009820020_200025704644 [0,1,0,0,0,1|2,0,0]=4 1258 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_200025704644_100009820020 [0,1,0,0,0,1|2,0,0]=4 1259 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_102495366499_200025704644 [0,1,0,0,0,1|1,0,1]=4 1260 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_200025704644_102495366499 [0,1,0,0,0,1|1,0,1]=4 1261 B9R1.69 Cc1c[nH]c(=O)c(n1)O 271570a_203496583355_100009858157 [0,1,0,0,0,1|1,0,1]=4 1262 B9R1.69 Cc1cc(c(=O)[nH]n1)O 271570a_203496583355_100009819039 [0,1,0,0,0,1|2,0,0]=4 1263 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,1,0,0,0,1|0,0,2]=4 1264 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,1,0,0,0,1|1,0,1]=4 1265 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,0,0,1|1,0,1]=4 1266 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,0,0,1|0,0,2]=4 1267 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,0,0,1|0,0,2]=4 1268 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [0,1,0,0,0,1|0,0,2]=4 1269 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,1,0,0,0,1|0,0,2]=4 1270 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,0,0,1|0,0,2]=4 1271 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,0,0,1|0,0,2]=4 1272 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [0,1,0,0,0,1|0,0,2]=4 1273 B9R1.2 CSc1cc(=O)[nH]cn1 62a_100012002517_200000210301 [0,1,0,0,0,1|1,0,1]=4 1274 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [0,1,0,0,0,1|0,0,2]=4 1275 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [0,1,0,0,0,1|0,0,2]=4 1276 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [0,1,0,0,0,1|0,0,2]=4 1277 B9R1.2 CSc1cn[nH]c(=O)c1 62a_200000210301_100010197405 [0,1,0,0,0,1|1,0,1]=4 1278 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,0,0,1|0,0,2]=4 1279 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,0,0,1|0,0,2]=4 1280 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,0,0,1|0,0,2]=4 1281 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,0,0,1|0,0,2]=4 1282 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [0,1,0,0,0,1|0,0,2]=4 1283 B9R1.2 [13CH3]Sc1cc(=O)[nH]cn1 62a_100012002517_200025704644 [0,1,0,0,0,1|1,0,1]=4 1284 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [0,1,0,0,0,1|0,0,2]=4 1285 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [0,1,0,0,0,1|0,0,2]=4 1286 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [0,1,0,0,0,1|0,0,2]=4 1287 B9R1.2 [13CH3]Sc1cn[nH]c(=O)c1 62a_200025704644_100010197405 [0,1,0,0,0,1|1,0,1]=4 1288 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,1,0,0,0,1|1,0,1]=4 1289 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,1,0,0,0,1|1,0,1]=4 1290 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,1,0,0,0,1|1,0,1]=4 1291 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,1,0,0,0,1|1,0,1]=4 1292 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,1,0,0,0,1|1,0,1]=4 1293 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,1,0,0,0,1|1,0,1]=4 1294 B9R1.3 Cc1nc[nH]c(=O)c1O 271570a_203496583355_100011356812 [0,1,0,0,0,1|1,0,1]=4 1295 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,2,0,0,0,0|0,0,2]=4 1296 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,2,0,0,0,0|1,0,0]=3 1297 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,2,0,0,0,0|1,0,1]=4 1298 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,2,0,0,0,0|1,0,1]=4 1299 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,2,0,0,0,0|1,0,1]=4 1300 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,2,0,0,0,0|1,0,1]=4 1301 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,2,0,0,0,0|1,0,0]=3 1302 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,2,0,0,0,0|1,0,1]=4 1303 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,2,0,0,0,0|1,0,0]=3 1304 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,2,0,0,0,0|1,0,0]=3 1305 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,2,0,0,0,0|1,0,1]=4 1306 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,2,0,0,0,0|1,0,1]=4 1307 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,2,0,0,0,0|0,0,2]=4 1308 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,2,0,0,0,0|1,0,1]=4 1309 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,2,0,0,0,0|1,0,1]=4 1310 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,2,0,0,0,0|1,0,1]=4 1311 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,2,0,0,0,0|1,0,0]=3 1312 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,2,0,0,0,0|1,0,0]=3 1313 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,2,0,0,0,0|1,0,1]=4 1314 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,2,0,0,0,0|1,0,1]=4 1315 B9R1.21 CSc1c[nH]c(c1)C=O 62a_100000720742_200000210301 [0,2,0,0,0,0|1,0,1]=4 1316 B9R1.21 CSc1c[nH]c(c1)C=O 62a_200000210301_100000720742 [0,2,0,0,0,0|1,0,1]=4 1317 B9R1.21 CSc1cc(c[nH]1)C=O 62a_100009882863_200000210301 [0,2,0,0,0,0|1,0,1]=4 1318 B9R1.21 CSc1cc(c[nH]1)C=O 62a_200000210301_100009882863 [0,2,0,0,0,0|1,0,1]=4 1319 B9R1.21 CSc1cc(cs1)C=O 62a_100000737087_200000210301 [0,2,0,0,0,0|1,0,1]=4 1320 B9R1.21 CSc1cc(cs1)C=O 62a_200000210301_100000737087 [0,2,0,0,0,0|1,0,1]=4 1321 B9R1.21 CSc1cc(on1)C=O 62a_100009819588_200000210301 [0,2,0,0,0,0|2,0,0]=4 1322 B9R1.21 CSc1cc(on1)C=O 62a_200000210301_100009819588 [0,2,0,0,0,0|2,0,0]=4 1323 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [0,2,0,0,0,0|1,0,1]=4 1324 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [0,2,0,0,0,0|1,0,1]=4 1325 B9R1.21 CSc1csc(c1)C=O 62a_100000211722_200000210301 [0,2,0,0,0,0|1,0,1]=4 1326 B9R1.21 CSc1csc(c1)C=O 62a_200000210301_100000211722 [0,2,0,0,0,0|1,0,1]=4 1327 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_100000720742_200025704644 [0,2,0,0,0,0|1,0,1]=4 1328 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_200025704644_100000720742 [0,2,0,0,0,0|1,0,1]=4 1329 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_100009882863_200025704644 [0,2,0,0,0,0|1,0,1]=4 1330 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_200025704644_100009882863 [0,2,0,0,0,0|1,0,1]=4 1331 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_100000737087_200025704644 [0,2,0,0,0,0|1,0,1]=4 1332 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_200025704644_100000737087 [0,2,0,0,0,0|1,0,1]=4 1333 B9R1.21 [13CH3]Sc1cc(on1)C=O 62a_100009819588_200025704644 [0,2,0,0,0,0|2,0,0]=4 1334 B9R1.21 [13CH3]Sc1cc(on1)C=O 62a_200025704644_100009819588 [0,2,0,0,0,0|2,0,0]=4 1335 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [0,2,0,0,0,0|1,0,1]=4 1336 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [0,2,0,0,0,0|1,0,1]=4 1337 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_100000211722_200025704644 [0,2,0,0,0,0|1,0,1]=4 1338 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_200025704644_100000211722 [0,2,0,0,0,0|1,0,1]=4 1339 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,2,0,0,0,0|1,0,1]=4 1340 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,2,0,0,0,0|1,0,1]=4 1341 B9R1.22 CNC1CC(=O)NC1=O 2230a_100102712934_200000210301 [0,2,0,0,0,0|2,0,0]=4 1342 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,2,0,0,0,0|1,0,1]=4 1343 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,2,0,0,0,0|1,0,1]=4 1344 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,2,0,0,0,0|1,0,1]=4 1345 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,2,0,0,0,0|1,0,1]=4 1346 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,2,0,0,0,0|1,0,1]=4 1347 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,2,0,0,0,0|1,0,1]=4 1348 B9R1.22 [13CH3]NC1CC(=O)NC1=O 2230a_100102712934_200025704644 [0,2,0,0,0,0|2,0,0]=4 1349 B9R1.23 Cc1cc(sc1O)C=O 271570a_203496583355_100000761930 [0,2,0,0,0,0|1,0,1]=4 1350 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,2,0,0,0,0|1,0,1]=4 1351 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,2,0,0,0,0|1,0,1]=4 1352 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,2,0,0,0,0|1,0,1]=4 1353 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,2,0,0,0,0|1,0,1]=4 1354 B9R1.27 C=Cc1c([nH][nH]c1=O)C 271570a_100011290941_100000686169 [0,2,0,0,0,0|2,0,0]=4 1355 B9R1.27 CNC1C(=O)CCC1=O 2230a_106832991635_100009820769 [0,2,0,0,0,0|1,0,1]=4 1356 B9R1.27 CNC1C(=O)CCC1=O 7a_106832991635_100009820769 [0,2,0,0,0,0|1,0,1]=4 1357 B9R1.27 CSC1C(=O)CCC1=O 62a_100009820769_200000210301 [0,2,0,0,0,0|1,0,1]=4 1358 B9R1.27 CSC1C(=O)CCC1=O 62a_200000210301_100009820769 [0,2,0,0,0,0|1,0,1]=4 1359 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_100009820769_200025704644 [0,2,0,0,0,0|1,0,1]=4 1360 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_200025704644_100009820769 [0,2,0,0,0,0|1,0,1]=4 1361 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,0,1,1,0,0|1,0,1]=4 1362 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,1,1,0,0|0,0,2]=4 1363 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,1,1,0,0|1,0,1]=4 1364 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,1,1,0,0|0,0,2]=4 1365 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,1,1,0,0|0,0,2]=4 1366 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,0,1,1,0,0|0,0,2]=4 1367 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,0,1,1,0,0|0,0,2]=4 1368 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,0,1,1,0,0|1,0,1]=4 1369 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,0,1,1,0,0|1,0,1]=4 1370 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,0,1,1,0,0|1,0,1]=4 1371 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,0,1,1,0,0|0,0,2]=4 1372 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,1,1,0,0|0,0,2]=4 1373 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,1,1,0,0|0,0,2]=4 1374 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,1,1,0,0|1,0,1]=4 1375 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,1,1,0,0|1,0,1]=4 1376 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,1,1,0,0|0,0,2]=4 1377 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,1,1,0,0|1,0,1]=4 1378 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,1,0,1,0|0,0,1]=3 1379 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,1,0,1,0|0,0,1]=3 1380 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,1,0,1,0|0,0,1]=3 1381 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,1,0,1,0|0,0,1]=3 1382 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,0,1,0,1,0|1,0,1]=4 1383 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,1,0,1,0|1,0,0]=3 1384 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,1,0,1,0|1,0,0]=3 1385 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,1,0,1,0|1,0,0]=3 1386 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,1,0,1,0|1,0,0]=3 1387 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,1,0,1,0|1,0,1]=4 1388 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,1,0,1,0|1,0,1]=4 1389 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,1,0,1,0|0,0,1]=3 1390 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,0,1,0,1,0|1,0,1]=4 1391 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,0,1,0,1,0|1,0,1]=4 1392 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,1,0,1,0|1,0,1]=4 1393 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,0,1,0|1,0,1]=4 1394 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,0,1,0|1,0,1]=4 1395 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,0,0,2|1,0,1]=4 1396 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,0,0,2|1,0,1]=4 1397 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,0,0,2|1,0,1]=4 1398 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,0,0,2|1,0,1]=4 1399 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,0,0,2|1,0,1]=4 1400 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,0,0,2|1,0,1]=4