0 B14R2.10591 Cc1cc(n[nH]c1=O)C#CC2CC2 271570a_200009880635_100012187101 [0,0,0,0,0,0|1,0,2]=3 1 B14R2.10591 Cc1cc(n[nH]c1=O)C=CC2CC2 271570a_100102526188_100012187101 [0,0,0,0,0,0|1,0,2]=3 2 B14R2.10591 Cc1cc(n[nH]c1=O)SCC2CC2 62a_100000756562_100012187101 [0,0,0,0,0,0|2,0,0]=2 3 B14R2.10591 Cc1cc(n[nH]c1=O)SCC2CO2 62a_102125554688_100012187101 [0,0,0,0,0,0|3,0,0]=3 4 B14R2.10591 Cc1cc(n[nH]c1=O)SCC2CS2 62a_100000031435_100012187101 [0,0,0,0,0,0|3,0,0]=3 5 B14R2.10591 Cc1cc(n[nH]c1=O)SC[C@@H]2CO2 62a_100000745022_100012187101 [0,0,0,0,0,0|3,0,0]=3 6 B14R2.10591 Cc1cc(ncc1Br)COC2CC2 34a_200010713146_100000211595 [0,0,0,0,0,0|4,0,0]=4 7 B14R2.10591 Cc1cc(ncc1Br)OCC2CC2 34a_100000766222_100000742324 [0,0,0,0,0,0|4,0,0]=4 8 B14R2.10591 Cc1cc(ncc1Br)SCC2CC2 62a_100000756562_100012356354 [0,0,0,0,0,0|4,0,0]=4 9 B14R2.10591 Cc1cc(ncc1Br)SCC2CC2 62a_100012356354_100000742324 [0,0,0,0,0,0|4,0,0]=4 10 B14R2.10591 Cc1cc(ncc1Cl)OCC2CC2 34a_200000085746_100000742324 [0,0,0,0,0,0|4,0,0]=4 11 B14R2.10591 Cc1cc(ncc1F)SCC2CC2 62a_100000756562_100009818257 [0,0,0,0,0,0|4,0,0]=4 12 B14R2.10591 Cc1cc(ncc1F)SCC2CC2 62a_100009818257_100000742324 [0,0,0,0,0,0|4,0,0]=4 13 B14R2.10591 Cc1cc(ncc1N)SCC2CC2 62a_100000067204_100000742324 [0,0,0,0,0,0|4,0,0]=4 14 B14R2.10591 Cc1cc(ncc1N)SCC2CC2 62a_100000756562_100000067204 [0,0,0,0,0,0|4,0,0]=4 15 B14R2.10591 Cc1cc(ncc1O)SCC2CC2 62a_100000756562_100000692680 [0,0,0,0,0,0|3,0,1]=4 16 B14R2.10591 Cc1cc(nnc1N)SCC2CC2 62a_100000756562_100153394926 [0,0,0,0,0,0|3,0,1]=4 17 B14R2.10591 Cc1cc(nnc1N)SCC2CC2 62a_100153394926_100000742324 [0,0,0,0,0,0|3,0,1]=4 18 B14R2.10591 Cc1ccc(cc1O)NCC2CC2 34a_100000759471_100000742324 [0,0,0,0,0,0|4,0,0]=4 19 B14R2.10591 Cc1ccc(cc1O)NCC2CC2 7a_100000759471_100000742324 [0,0,0,0,0,0|4,0,0]=4 20 B14R2.10591 Cc1ccc(cc1O)SCC2CC2 62a_100000685420_100000742324 [0,0,0,0,0,0|4,0,0]=4 21 B14R2.10591 Cc1ccc(cc1O)SCC2CC2 62a_100000756562_100000685420 [0,0,0,0,0,0|4,0,0]=4 22 B14R2.10591 Cc1cnc(cc1Br)COC2CC2 34a_100010113723_100000211595 [0,0,0,0,0,0|4,0,0]=4 23 B14R2.10591 Cc1cnc(cc1Br)OCC2CC2 34a_100009831917_100000742324 [0,0,0,0,0,0|4,0,0]=4 24 B14R2.10591 Cc1cnc(cc1C)SCC2CC2 62a_100000756562_100009850809 [0,0,0,0,0,0|4,0,0]=4 25 B14R2.10591 Cc1cnc(cc1C)SCC2CC2 62a_100009850809_100000742324 [0,0,0,0,0,0|4,0,0]=4 26 B14R2.10591 Cc1cnc(cc1Cl)COC2CC2 34a_200000144627_100000211595 [0,0,0,0,0,0|4,0,0]=4 27 B14R2.10591 Cc1cnc(cc1F)NCC2CC2 27a_100000735609_100009841206 [0,0,0,0,0,0|4,0,0]=4 28 B14R2.10591 Cc1cnc(cc1F)SCC2CC2 62a_100000756562_100009841206 [0,0,0,0,0,0|4,0,0]=4 29 B14R2.10591 Cc1cnc(cc1F)SCC2CC2 62a_100009841206_100000742324 [0,0,0,0,0,0|4,0,0]=4 30 B14R2.10591 Cc1cnc(cc1N)SCC2CC2 62a_100000126663_100000742324 [0,0,0,0,0,0|4,0,0]=4 31 B14R2.10591 Cc1cnc(cc1N)SCC2CC2 62a_100000756562_100000126663 [0,0,0,0,0,0|4,0,0]=4 32 B14R2.10591 Cc1cnc(cc1O)C#CC2CC2 271570a_200009880635_100000704368 [0,0,0,0,0,0|2,0,2]=4 33 B14R2.10591 Cc1cnc(cc1O)C=CC2CC2 271570a_100102526188_100000704368 [0,0,0,0,0,0|2,0,2]=4 34 B14R2.10591 Cc1cnc(cc1O)SCC2CC2 62a_100000704368_100000742324 [0,0,0,0,0,0|3,0,0]=3 35 B14R2.10591 Cc1cnc(cc1O)SCC2CC2 62a_100000756562_100000704368 [0,0,0,0,0,0|3,0,0]=3 36 B14R2.10591 Cc1cnc(cc1O)SCC2CO2 62a_100000704368_102125554688 [0,0,0,0,0,0|4,0,0]=4 37 B14R2.10591 Cc1cnc(cc1O)SCC2CO2 62a_102125554688_100000704368 [0,0,0,0,0,0|4,0,0]=4 38 B14R2.10591 Cc1cnc(cc1O)SCC2CS2 62a_100000031435_100000704368 [0,0,0,0,0,0|4,0,0]=4 39 B14R2.10591 Cc1cnc(cc1O)SCC2CS2 62a_100000704368_100000031435 [0,0,0,0,0,0|4,0,0]=4 40 B14R2.10591 Cc1cnc(cc1O)SC[C@@H]2CO2 62a_100000704368_100000745022 [0,0,0,0,0,0|4,0,0]=4 41 B14R2.10591 Cc1cnc(cc1O)SC[C@@H]2CO2 62a_100000745022_100000704368 [0,0,0,0,0,0|4,0,0]=4 42 B14R2.10591 Cc1nc(c[nH]c1=O)SCC2CC2 62a_100000756562_100010363809 [0,0,0,0,0,0|4,0,0]=4 43 B14R2.10591 Cc1nc(c[nH]c1=O)SCC2CC2 62a_100010363809_100000742324 [0,0,0,0,0,0|4,0,0]=4 44 B14R2.10591 Cc1ncc(cc1O)SCC2CC2 62a_100000756562_100009864810 [0,0,0,0,0,0|3,0,1]=4 45 B14R2.10591 Cc1ncc(cc1O)SCC2CC2 62a_100009864810_100000742324 [0,0,0,0,0,0|3,0,1]=4 46 B14R2.10591 Clc1cc(ncc1Br)OCC2CC2 34a_100010369989_100000742324 [0,0,0,0,0,0|4,0,0]=4 47 B14R2.10591 Clc1cnc(cc1Cl)OCC2CC2 34a_200000099200_100000742324 [0,0,0,0,0,0|4,0,0]=4 48 B14R2.10591 Cn1cc(ncc1=O)SCC2CC2 62a_100000756562_100009843036 [0,0,0,0,0,0|4,0,0]=4 49 B14R2.10591 Cn1cc(ncc1=O)SCC2CC2 62a_100009843036_100000742324 [0,0,0,0,0,0|4,0,0]=4 50 B14R2.10591 Nc1cc(n[nH]c1=O)C#CC2CC2 271570a_200009880635_100000102183 [0,0,0,0,0,0|1,0,2]=3 51 B14R2.10591 Nc1cc(n[nH]c1=O)C=CC2CC2 271570a_100102526188_100000102183 [0,0,0,0,0,0|1,0,2]=3 52 B14R2.10591 Nc1cc(n[nH]c1=O)SCC2CC2 62a_100000756562_100000102183 [0,0,0,0,0,0|2,0,0]=2 53 B14R2.10591 Nc1cc(n[nH]c1=O)SCC2CO2 62a_102125554688_100000102183 [0,0,0,0,0,0|3,0,0]=3 54 B14R2.10591 Nc1cc(n[nH]c1=O)SCC2CS2 62a_100000031435_100000102183 [0,0,0,0,0,0|3,0,0]=3 55 B14R2.10591 Nc1cc(n[nH]c1=O)SC[C@@H]2CO2 62a_100000745022_100000102183 [0,0,0,0,0,0|3,0,0]=3 56 B14R2.10591 Nc1cc(ncc1F)SCC2CC2 62a_100000126464_100000742324 [0,0,0,0,0,0|4,0,0]=4 57 B14R2.10591 Nc1cc(ncc1F)SCC2CC2 62a_100000756562_100000126464 [0,0,0,0,0,0|4,0,0]=4 58 B14R2.10591 Nc1cc(ncc1O)SCC2CC2 62a_100000756562_100009819941 [0,0,0,0,0,0|3,0,1]=4 59 B14R2.10591 Nc1cc(ncc1O)SCC2CC2 62a_100009819941_100000742324 [0,0,0,0,0,0|3,0,1]=4 60 B14R2.10591 Nc1ccc(cc1O)SCC2CC2 62a_100000739049_100000742324 [0,0,0,0,0,0|4,0,0]=4 61 B14R2.10591 Nc1ccc(cc1O)SCC2CC2 62a_100000756562_100000739049 [0,0,0,0,0,0|4,0,0]=4 62 B14R2.10591 Nc1cnc(cc1N)SCC2CC2 62a_100000067514_100000742324 [0,0,0,0,0,0|4,0,0]=4 63 B14R2.10591 Nc1cnc(cc1N)SCC2CC2 62a_100000756562_100000067514 [0,0,0,0,0,0|4,0,0]=4 64 B14R2.10591 Nc1ncc(cc1O)SCC2CC2 62a_100000756562_100009819042 [0,0,0,0,0,0|3,0,1]=4 65 B14R2.10591 Nc1ncc(cc1O)SCC2CC2 62a_100009819042_100000742324 [0,0,0,0,0,0|3,0,1]=4 66 B14R2.10591 O=c1[nH]cc(cc1Br)C#CC2CC2 271570a_200009880635_100010125443 [0,0,0,0,0,0|2,0,2]=4 67 B14R2.10591 O=c1[nH]cc(cc1Br)C=CC2CC2 271570a_100102526188_100010125443 [0,0,0,0,0,0|2,0,2]=4 68 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CC2 62a_100000756562_100010125443 [0,0,0,0,0,0|3,0,0]=3 69 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CC2 62a_100010125443_100000742324 [0,0,0,0,0,0|3,0,0]=3 70 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CO2 62a_100010125443_102125554688 [0,0,0,0,0,0|4,0,0]=4 71 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CO2 62a_102125554688_100010125443 [0,0,0,0,0,0|4,0,0]=4 72 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CS2 62a_100000031435_100010125443 [0,0,0,0,0,0|4,0,0]=4 73 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CS2 62a_100010125443_100000031435 [0,0,0,0,0,0|4,0,0]=4 74 B14R2.10591 O=c1[nH]cc(cc1Br)SC[C@@H]2CO2 62a_100000745022_100010125443 [0,0,0,0,0,0|4,0,0]=4 75 B14R2.10591 O=c1[nH]cc(cc1Br)SC[C@@H]2CO2 62a_100010125443_100000745022 [0,0,0,0,0,0|4,0,0]=4 76 B14R2.10591 O=c1[nH]cc(cc1F)C#CC2CC2 271570a_200009880635_100000723523 [0,0,0,0,0,0|2,0,2]=4 77 B14R2.10591 O=c1[nH]cc(cc1F)C=CC2CC2 271570a_100102526188_100000723523 [0,0,0,0,0,0|2,0,2]=4 78 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CC2 62a_100000723523_100000742324 [0,0,0,0,0,0|3,0,0]=3 79 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CC2 62a_100000756562_100000723523 [0,0,0,0,0,0|3,0,0]=3 80 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CO2 62a_100000723523_102125554688 [0,0,0,0,0,0|4,0,0]=4 81 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CO2 62a_102125554688_100000723523 [0,0,0,0,0,0|4,0,0]=4 82 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CS2 62a_100000031435_100000723523 [0,0,0,0,0,0|4,0,0]=4 83 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CS2 62a_100000723523_100000031435 [0,0,0,0,0,0|4,0,0]=4 84 B14R2.10591 O=c1[nH]cc(cc1F)SC[C@@H]2CO2 62a_100000723523_100000745022 [0,0,0,0,0,0|4,0,0]=4 85 B14R2.10591 O=c1[nH]cc(cc1F)SC[C@@H]2CO2 62a_100000745022_100000723523 [0,0,0,0,0,0|4,0,0]=4 86 B14R2.10591 O=c1[nH]cc(cc1O)C#CC2CC2 271570a_200009880635_100009814561 [0,0,0,0,0,0|1,0,2]=3 87 B14R2.10591 O=c1[nH]cc(cc1O)C=CC2CC2 271570a_100102526188_100009814561 [0,0,0,0,0,0|1,0,2]=3 88 B14R2.10591 O=c1[nH]cc(cc1O)SCC2CC2 62a_100000756562_100009814561 [0,0,0,0,0,0|2,0,0]=2 89 B14R2.10591 O=c1[nH]cc(cc1O)SCC2CO2 62a_102125554688_100009814561 [0,0,0,0,0,0|3,0,0]=3 90 B14R2.10591 O=c1[nH]cc(cc1O)SCC2CS2 62a_100000031435_100009814561 [0,0,0,0,0,0|3,0,0]=3 91 B14R2.10591 O=c1[nH]cc(cc1O)SC[C@@H]2CO2 62a_100000745022_100009814561 [0,0,0,0,0,0|3,0,0]=3 92 B14R2.10591 Oc1cc(ccc1Br)SCC2CC2 62a_100000756562_100012356990 [0,0,0,0,0,0|4,0,0]=4 93 B14R2.10591 Oc1cc(ccc1Br)SCC2CC2 62a_100012356990_100000742324 [0,0,0,0,0,0|4,0,0]=4 94 B14R2.10591 Oc1cc(ccc1Cl)CNC2CC2 34a_100020636435_100000211595 [0,0,0,0,0,0|4,0,0]=4 95 B14R2.10591 Oc1cc(ccc1Cl)NCC2CC2 34a_100011934209_100000742324 [0,0,0,0,0,0|4,0,0]=4 96 B14R2.10591 Oc1cc(ccc1Cl)SCC2CC2 62a_100000756562_100011356854 [0,0,0,0,0,0|4,0,0]=4 97 B14R2.10591 Oc1cc(ccc1Cl)SCC2CC2 62a_100011356854_100000742324 [0,0,0,0,0,0|4,0,0]=4 98 B14R2.10591 Oc1cc(ccc1F)CNC2CC2 34a_100160469508_100000211595 [0,0,0,0,0,0|4,0,0]=4 99 B14R2.10591 Oc1cc(ccc1F)NCC2CC2 34a_100012017398_100000742324 [0,0,0,0,0,0|4,0,0]=4 100 B14R2.10591 Oc1cc(ccc1F)NCC2CC2 7a_100012017398_100000742324 [0,0,0,0,0,0|4,0,0]=4 101 B14R2.10591 Oc1cc(ccc1F)SCC2CC2 62a_100000686035_100000742324 [0,0,0,0,0,0|4,0,0]=4 102 B14R2.10591 Oc1cc(ccc1F)SCC2CC2 62a_100000756562_100000686035 [0,0,0,0,0,0|4,0,0]=4 103 B14R2.10591 Oc1cc(cnc1F)SCC2CC2 62a_100000756562_100009819871 [0,0,0,0,0,0|3,0,1]=4 104 B14R2.10591 Oc1cc(cnc1F)SCC2CC2 62a_100009819871_100000742324 [0,0,0,0,0,0|3,0,1]=4 105 B14R2.10591 Oc1cc(ncc1F)C#CC2CC2 271570a_200009880635_100009854642 [0,0,0,0,0,0|2,0,2]=4 106 B14R2.10591 Oc1cc(ncc1F)C=CC2CC2 271570a_100102526188_100009854642 [0,0,0,0,0,0|2,0,2]=4 107 B14R2.10591 Oc1cc(ncc1F)SCC2CC2 62a_100000756562_100009854642 [0,0,0,0,0,0|3,0,0]=3 108 B14R2.10591 Oc1cc(ncc1F)SCC2CC2 62a_100009854642_100000742324 [0,0,0,0,0,0|3,0,0]=3 109 B14R2.10591 Oc1cc(ncc1F)SCC2CO2 62a_100009854642_102125554688 [0,0,0,0,0,0|4,0,0]=4 110 B14R2.10591 Oc1cc(ncc1F)SCC2CO2 62a_102125554688_100009854642 [0,0,0,0,0,0|4,0,0]=4 111 B14R2.10591 Oc1cc(ncc1F)SCC2CS2 62a_100000031435_100009854642 [0,0,0,0,0,0|4,0,0]=4 112 B14R2.10591 Oc1cc(ncc1F)SCC2CS2 62a_100009854642_100000031435 [0,0,0,0,0,0|4,0,0]=4 113 B14R2.10591 Oc1cc(ncc1F)SC[C@@H]2CO2 62a_100000745022_100009854642 [0,0,0,0,0,0|4,0,0]=4 114 B14R2.10591 Oc1cc(ncc1F)SC[C@@H]2CO2 62a_100009854642_100000745022 [0,0,0,0,0,0|4,0,0]=4 115 B14R2.10591 Oc1ccc(cc1O)CNC2CC2 34a_100000010075_100000211595 [0,0,0,0,0,0|3,0,1]=4 116 B14R2.10591 Oc1ccc(cc1O)NCC2CC2 34a_100102946323_100000742324 [0,0,0,0,0,0|3,0,1]=4 117 B14R2.10591 Oc1ccc(cc1O)SCC2CC2 62a_100000756562_100009813601 [0,0,0,0,0,0|3,0,1]=4 118 B14R2.10591 Oc1nc(ncc1F)NCC2CC2 27a_100000735609_100011995740 [0,0,0,0,0,0|4,0,0]=4 119 B14R2.10591 Oc1nc(ncc1F)SCC2CC2 62a_100000756562_100011995740 [0,0,0,0,0,0|4,0,0]=4 120 B13R2.527 Brc1ccc(nc1)CNC2CC2 34a_100000212008_100000702658 [1,0,0,0,0,0|3,0,0]=4 121 B13R2.527 Brc1ccc(nc1)CNC2CC2 34a_100015188789_100000211595 [1,0,0,0,0,0|3,0,0]=4 122 B13R2.527 Brc1ccc(nc1)COC2CC2 34a_100000754261_100000211595 [1,0,0,0,0,0|3,0,0]=4 123 B13R2.527 Brc1ccc(nc1)CSC2CC2 62a_100000702658_100000211595 [1,0,0,0,0,0|3,0,0]=4 124 B13R2.527 Brc1ccc(nc1)NCC2CC2 27a_100000735609_100000686858 [1,0,0,0,0,0|3,0,0]=4 125 B13R2.527 Brc1ccc(nc1)SCC2CC2 62a_100000686858_100000742324 [1,0,0,0,0,0|3,0,0]=4 126 B13R2.527 Brc1ccc(nc1)SCC2CC2 62a_100000756562_100000686858 [1,0,0,0,0,0|3,0,0]=4 127 B13R2.527 Cc1ccc(nc1)CNC2CC2 34a_100000212008_100000691093 [1,0,0,0,0,0|3,0,0]=4 128 B13R2.527 Cc1ccc(nc1)CNC2CC2 34a_100015187455_100000211595 [1,0,0,0,0,0|3,0,0]=4 129 B13R2.527 Cc1ccc(nc1)COC2CC2 34a_100012001401_100000211595 [1,0,0,0,0,0|3,0,0]=4 130 B13R2.527 Cc1ccc(nc1)CSC2CC2 62a_100000691093_100000211595 [1,0,0,0,0,0|3,0,0]=4 131 B13R2.527 Cc1ccc(nc1)OCC2CC2 34a_100000759353_100000742324 [1,0,0,0,0,0|3,0,0]=4 132 B13R2.527 Cc1ccc(nc1)SCC2CC2 62a_100000756562_100000754016 [1,0,0,0,0,0|3,0,0]=4 133 B13R2.527 Cc1ccc(nc1)SCC2CC2 62a_100011192072_100000742324 [1,0,0,0,0,0|3,0,0]=4 134 B13R2.527 Cc1ccc(nn1)NCC2CC2 27a_100000735609_100000744512 [1,0,0,0,0,0|2,0,1]=4 135 B13R2.527 Cc1ccc(nn1)SCC2CC2 62a_100000744512_100000742324 [1,0,0,0,0,0|2,0,1]=4 136 B13R2.527 Cc1ccc(nn1)SCC2CC2 62a_100000756562_100000744512 [1,0,0,0,0,0|2,0,1]=4 137 B13R2.527 Clc1ccc(nc1)CNC2CC2 34a_100000212008_100012066911 [1,0,0,0,0,0|3,0,0]=4 138 B13R2.527 Clc1ccc(nc1)CNC2CC2 34a_100000697193_100000211595 [1,0,0,0,0,0|3,0,0]=4 139 B13R2.527 Clc1ccc(nc1)COC2CC2 34a_100000703999_100000211595 [1,0,0,0,0,0|3,0,0]=4 140 B13R2.527 Clc1ccc(nc1)CSC2CC2 62a_100012066911_100000211595 [1,0,0,0,0,0|3,0,0]=4 141 B13R2.527 Clc1ccc(nc1)OCC2CC2 34a_100011215309_100000742324 [1,0,0,0,0,0|3,0,0]=4 142 B13R2.527 Clc1ccc(nc1)SCC2CC2 62a_100000756562_100011356976 [1,0,0,0,0,0|3,0,0]=4 143 B13R2.527 Clc1ccc(nc1)SCC2CC2 62a_100011356976_100000742324 [1,0,0,0,0,0|3,0,0]=4 144 B13R2.527 Clc1ccc(nn1)CNC2CC2 34a_100000212008_100016992710 [1,0,0,0,0,0|2,0,1]=4 145 B13R2.527 Clc1ccc(nn1)CSC2CC2 62a_100016992710_100000211595 [1,0,0,0,0,0|2,0,1]=4 146 B13R2.527 Clc1ccc(nn1)SCC2CC2 62a_100000068654_100000742324 [1,0,0,0,0,0|2,0,1]=4 147 B13R2.527 Clc1ccc(nn1)SCC2CC2 62a_100000756562_100000068654 [1,0,0,0,0,0|2,0,1]=4 148 B13R2.527 Fc1ccc(nc1)CNC2CC2 34a_100000212008_100000703193 [1,0,0,0,0,0|3,0,0]=4 149 B13R2.527 Fc1ccc(nc1)CNC2CC2 34a_100020620131_100000211595 [1,0,0,0,0,0|3,0,0]=4 150 B13R2.527 Fc1ccc(nc1)COC2CC2 34a_100011999454_100000211595 [1,0,0,0,0,0|3,0,0]=4 151 B13R2.527 Fc1ccc(nc1)CSC2CC2 62a_100000703193_100000211595 [1,0,0,0,0,0|3,0,0]=4 152 B13R2.527 Fc1ccc(nc1)OCC2CC2 34a_100000742473_100000742324 [1,0,0,0,0,0|3,0,0]=4 153 B13R2.527 Fc1ccc(nc1)SCC2CC2 62a_100000744514_100000742324 [1,0,0,0,0,0|3,0,0]=4 154 B13R2.527 Fc1ccc(nc1)SCC2CC2 62a_100000756562_100000744514 [1,0,0,0,0,0|3,0,0]=4 155 B13R2.527 Nc1ccc(nc1)COC2CC2 34a_100011998161_100000211595 [1,0,0,0,0,0|3,0,0]=4 156 B13R2.527 Nc1ccc(nc1)OCC2CC2 34a_100000729260_100000742324 [1,0,0,0,0,0|3,0,0]=4 157 B13R2.527 Nc1ccc(nc1)SCC2CC2 62a_100000737798_100000742324 [1,0,0,0,0,0|3,0,0]=4 158 B13R2.527 Nc1ccc(nc1)SCC2CC2 62a_100000756562_100000737798 [1,0,0,0,0,0|3,0,0]=4 159 B13R2.527 Nc1ccc(nn1)SCC2CC2 62a_100000756562_100010219413 [1,0,0,0,0,0|2,0,1]=4 160 B13R2.527 Nc1ccc(nn1)SCC2CC2 62a_100010219413_100000742324 [1,0,0,0,0,0|2,0,1]=4 161 B13R2.527 O=c1ccc(c[nH]1)C#CC2CC2 271570a_200009880635_100000212171 [1,0,0,0,0,0|1,0,2]=4 162 B13R2.527 O=c1ccc(c[nH]1)C=CC2CC2 271570a_100102526188_100000212171 [1,0,0,0,0,0|1,0,2]=4 163 B13R2.527 O=c1ccc(c[nH]1)COC2CC2 34a_100011999846_100000211595 [1,0,0,0,0,0|2,0,0]=3 164 B13R2.527 O=c1ccc(c[nH]1)OCC2CC2 34a_100000075641_100000742324 [1,0,0,0,0,0|2,0,0]=3 165 B13R2.527 O=c1ccc(c[nH]1)OCC2CO2 34a_100000075641_102125554688 [1,0,0,0,0,0|3,0,0]=4 166 B13R2.527 O=c1ccc(c[nH]1)SCC2CC2 62a_100000212171_100000742324 [1,0,0,0,0,0|2,0,0]=3 167 B13R2.527 O=c1ccc(c[nH]1)SCC2CC2 62a_100000756562_100000212171 [1,0,0,0,0,0|2,0,0]=3 168 B13R2.527 O=c1ccc(c[nH]1)SCC2CO2 62a_100000212171_102125554688 [1,0,0,0,0,0|3,0,0]=4 169 B13R2.527 O=c1ccc(c[nH]1)SCC2CO2 62a_102125554688_100000212171 [1,0,0,0,0,0|3,0,0]=4 170 B13R2.527 O=c1ccc(c[nH]1)SCC2CS2 62a_100000031435_100000212171 [1,0,0,0,0,0|3,0,0]=4 171 B13R2.527 O=c1ccc(c[nH]1)SCC2CS2 62a_100000212171_100000031435 [1,0,0,0,0,0|3,0,0]=4 172 B13R2.527 O=c1ccc(c[nH]1)SC[C@@H]2CO2 62a_100000212171_100000745022 [1,0,0,0,0,0|3,0,0]=4 173 B13R2.527 O=c1ccc(c[nH]1)SC[C@@H]2CO2 62a_100000745022_100000212171 [1,0,0,0,0,0|3,0,0]=4 174 B13R2.527 O=c1ccc(n[nH]1)C#CC2CC2 271570a_200009880635_100009820020 [1,0,0,0,0,0|0,0,2]=3 175 B13R2.527 O=c1ccc(n[nH]1)C=CC2CC2 271570a_100102526188_100009820020 [1,0,0,0,0,0|0,0,2]=3 176 B13R2.527 O=c1ccc(n[nH]1)SCC2CC2 62a_100000756562_100009820020 [1,0,0,0,0,0|1,0,0]=2 177 B13R2.527 O=c1ccc(n[nH]1)SCC2CC2 62a_100009820020_100000742324 [1,0,0,0,0,0|1,0,0]=2 178 B13R2.527 O=c1ccc(n[nH]1)SCC2CO2 62a_100009820020_102125554688 [1,0,0,0,0,0|2,0,0]=3 179 B13R2.527 O=c1ccc(n[nH]1)SCC2CO2 62a_102125554688_100009820020 [1,0,0,0,0,0|2,0,0]=3 180 B13R2.527 O=c1ccc(n[nH]1)SCC2CS2 62a_100000031435_100009820020 [1,0,0,0,0,0|2,0,0]=3 181 B13R2.527 O=c1ccc(n[nH]1)SCC2CS2 62a_100009820020_100000031435 [1,0,0,0,0,0|2,0,0]=3 182 B13R2.527 O=c1ccc(n[nH]1)SC[C@@H]2CO2 62a_100000745022_100009820020 [1,0,0,0,0,0|2,0,0]=3 183 B13R2.527 O=c1ccc(n[nH]1)SC[C@@H]2CO2 62a_100009820020_100000745022 [1,0,0,0,0,0|2,0,0]=3 184 B13R2.527 O=c1ncc(c[nH]1)SCC2CC2 62a_100000756562_102495366499 [1,0,0,0,0,0|3,0,0]=4 185 B13R2.527 O=c1ncc(c[nH]1)SCC2CC2 62a_102495366499_100000742324 [1,0,0,0,0,0|3,0,0]=4 186 B13R2.527 Oc1ccc(nc1)OCC2CC2 271570a_203496583355_100011465590 [1,0,0,0,0,0|2,0,1]=4 187 B13R2.527 Oc1ccc(nc1)SCC2CC2 62a_100000685995_100000742324 [1,0,0,0,0,0|2,0,1]=4 188 B13R2.527 Oc1ccc(nc1)SCC2CC2 62a_100000756562_100000744096 [1,0,0,0,0,0|2,0,1]=4 189 B13R2.5331 Brc1ccnc(c1)CNC2CC2 34a_100000212008_100010173614 [1,0,0,0,0,0|3,0,0]=4 190 B13R2.5331 Brc1ccnc(c1)CSC2CC2 62a_100010173614_100000211595 [1,0,0,0,0,0|3,0,0]=4 191 B13R2.5331 Cc1ccnc(c1)CNC2CC2 34a_100000212008_100000718516 [1,0,0,0,0,0|3,0,0]=4 192 B13R2.5331 Cc1ccnc(c1)COC2CC2 34a_100011998357_100000211595 [1,0,0,0,0,0|3,0,0]=4 193 B13R2.5331 Cc1ccnc(c1)CSC2CC2 62a_100000718516_100000211595 [1,0,0,0,0,0|3,0,0]=4 194 B13R2.5331 Cc1ccnc(c1)SCC2CC2 62a_100000750283_100000742324 [1,0,0,0,0,0|3,0,0]=4 195 B13R2.5331 Cc1ccnc(c1)SCC2CC2 62a_100000756562_100000750283 [1,0,0,0,0,0|3,0,0]=4 196 B13R2.5331 Cc1cnnc(c1)COC2CC2 34a_100016212594_100000211595 [1,0,0,0,0,0|2,0,1]=4 197 B13R2.5331 Cc1cnnc(c1)NCC2CC2 27a_100000735609_100000070100 [1,0,0,0,0,0|2,0,1]=4 198 B13R2.5331 Cc1cnnc(c1)OCC2CC2 34a_100000766097_100000742324 [1,0,0,0,0,0|2,0,1]=4 199 B13R2.5331 Cc1cnnc(c1)SCC2CC2 62a_100000070100_100000742324 [1,0,0,0,0,0|2,0,1]=4 200 B13R2.5331 Cc1cnnc(c1)SCC2CC2 62a_100000756562_100000070100 [1,0,0,0,0,0|2,0,1]=4 201 B13R2.5331 Clc1ccnc(c1)CNC2CC2 34a_100000212008_100016988179 [1,0,0,0,0,0|3,0,0]=4 202 B13R2.5331 Clc1ccnc(c1)COC2CC2 34a_100000748867_100000211595 [1,0,0,0,0,0|3,0,0]=4 203 B13R2.5331 Clc1ccnc(c1)CSC2CC2 62a_100016988179_100000211595 [1,0,0,0,0,0|3,0,0]=4 204 B13R2.5331 Clc1ccnc(c1)SCC2CC2 62a_100000756562_100010167805 [1,0,0,0,0,0|3,0,0]=4 205 B13R2.5331 Clc1ccnc(c1)SCC2CC2 62a_100010167805_100000742324 [1,0,0,0,0,0|3,0,0]=4 206 B13R2.5331 Fc1ccnc(c1)NCC2CC2 27a_100000735609_100000764206 [1,0,0,0,0,0|3,0,0]=4 207 B13R2.5331 Fc1ccnc(c1)SCC2CC2 62a_100000756562_100000764206 [1,0,0,0,0,0|3,0,0]=4 208 B13R2.5331 Fc1ccnc(c1)SCC2CC2 62a_100000764206_100000742324 [1,0,0,0,0,0|3,0,0]=4 209 B13R2.5331 Nc1ccnc(c1)COC2CC2 34a_100000692640_100000211595 [1,0,0,0,0,0|3,0,0]=4 210 B13R2.5331 Nc1ccnc(c1)SCC2CC2 62a_100000756562_100009814236 [1,0,0,0,0,0|3,0,0]=4 211 B13R2.5331 Nc1ccnc(c1)SCC2CC2 62a_100009814236_100000742324 [1,0,0,0,0,0|3,0,0]=4 212 B13R2.5331 Nc1cnnc(c1)SCC2CC2 62a_100000756562_100011996757 [1,0,0,0,0,0|2,0,1]=4 213 B13R2.5331 Nc1cnnc(c1)SCC2CC2 62a_100011996757_100000742324 [1,0,0,0,0,0|2,0,1]=4 214 B13R2.5331 Oc1cc(ncn1)NCC2CC2 27a_100000735609_100000765262 [1,0,0,0,0,0|3,0,0]=4 215 B13R2.5331 Oc1cc(ncn1)SCC2CC2 62a_100000756562_100000765262 [1,0,0,0,0,0|3,0,0]=4 216 B13R2.5331 Oc1cccc(c1)CNC2CC2 271570a_203496583355_100000745908 [1,0,0,0,0,0|3,0,0]=4 217 B13R2.5331 Oc1cccc(c1)CNC2CC2 34a_100000212008_100011660834 [1,0,0,0,0,0|3,0,0]=4 218 B13R2.5331 Oc1cccc(c1)CNC2CC2 34a_100000743036_100000211595 [1,0,0,0,0,0|3,0,0]=4 219 B13R2.5331 Oc1cccc(c1)CSC2CC2 62a_100011660834_100000211595 [1,0,0,0,0,0|3,0,0]=4 220 B13R2.5331 Oc1cccc(c1)NCC2CC2 34a_100000210217_100000742324 [1,0,0,0,0,0|3,0,0]=4 221 B13R2.5331 Oc1cccc(c1)OCC2CC2 271570a_203496583355_100011316337 [1,0,0,0,0,0|3,0,0]=4 222 B13R2.5331 Oc1cccc(c1)SCC2CC2 271570a_203496583355_200010212085 [1,0,0,0,0,0|3,0,0]=4 223 B13R2.5331 Oc1cccc(c1)SCC2CC2 62a_100000756562_100000211634 [1,0,0,0,0,0|3,0,0]=4 224 B13R2.5331 Oc1ccnc(c1)C#CC2CC2 271570a_200009880635_100000762945 [1,0,0,0,0,0|1,0,2]=4 225 B13R2.5331 Oc1ccnc(c1)C=CC2CC2 271570a_100102526188_100000762945 [1,0,0,0,0,0|1,0,2]=4 226 B13R2.5331 Oc1ccnc(c1)SCC2CC2 62a_100000756562_100000762945 [1,0,0,0,0,0|2,0,0]=3 227 B13R2.5331 Oc1ccnc(c1)SCC2CO2 62a_102125554688_100000762945 [1,0,0,0,0,0|3,0,0]=4 228 B13R2.5331 Oc1ccnc(c1)SCC2CS2 62a_100000031435_100000762945 [1,0,0,0,0,0|3,0,0]=4 229 B13R2.5331 Oc1ccnc(c1)SC[C@@H]2CO2 62a_100000745022_100000762945 [1,0,0,0,0,0|3,0,0]=4 230 B13R2.5331 Oc1ccnc(n1)NCC2CC2 27a_100000735609_100011649813 [1,0,0,0,0,0|3,0,0]=4 231 B13R2.5331 Oc1ccnc(n1)SCC2CC2 62a_100000756562_100011649813 [1,0,0,0,0,0|3,0,0]=4 232 B13R2.5331 Oc1cncc(c1)SCC2CC2 62a_100000754920_100000742324 [1,0,0,0,0,0|2,0,1]=4 233 B13R2.5331 Oc1cncc(c1)SCC2CC2 62a_100000756562_100000754920 [1,0,0,0,0,0|2,0,1]=4 234 B13R2.5331 Oc1cnnc(c1)C#CC2CC2 271570a_200009880635_200010734679 [1,0,0,0,0,0|0,0,3]=4 235 B13R2.5331 Oc1cnnc(c1)C=CC2CC2 271570a_100102526188_200010734679 [1,0,0,0,0,0|0,0,3]=4 236 B13R2.5331 Oc1cnnc(c1)SCC2CC2 62a_100000756562_200010734679 [1,0,0,0,0,0|1,0,1]=3 237 B13R2.5331 Oc1cnnc(c1)SCC2CO2 62a_102125554688_200010734679 [1,0,0,0,0,0|2,0,1]=4 238 B13R2.5331 Oc1cnnc(c1)SCC2CS2 62a_100000031435_200010734679 [1,0,0,0,0,0|2,0,1]=4 239 B13R2.5331 Oc1cnnc(c1)SC[C@@H]2CO2 62a_100000745022_200010734679 [1,0,0,0,0,0|2,0,1]=4 240 B15R2.1524 CC1(CC1)NCc2c[nH]c(=O)c(c2)Cl 207a_100000757604_100000051075 [0,1,0,0,0,0|3,0,0]=4 241 B15R2.1524 CC1(CO1)CSc2c[nH]c(=O)c(c2)O 62a_100000760498_100009814561 [0,1,0,0,0,0|3,0,0]=4 242 B15R2.1524 CC1(CO1)CSc2cc(c(=O)[nH]n2)N 62a_100000760498_100000102183 [0,1,0,0,0,0|3,0,0]=4 243 B15R2.1524 Cc1cc(n[nH]c1=O)SCC2(CO2)C 62a_100000760498_100012187101 [0,1,0,0,0,0|3,0,0]=4 244 B15R2.1526 CN(Cc1c[nH]c(=O)c(c1)Cl)C2CC2 270004a_100000226674_100000051075 [0,1,0,0,0,0|3,0,0]=4 245 B15R2.4522 COc1cc(c[nH]c1=O)C#CC2CC2 271570a_200009880635_100010125397 [0,1,0,0,0,0|1,0,2]=4 246 B15R2.4522 COc1cc(c[nH]c1=O)C=CC2CC2 271570a_100102526188_100010125397 [0,1,0,0,0,0|1,0,2]=4 247 B15R2.4522 COc1cc(c[nH]c1=O)SCC2CC2 62a_100000756562_100010125397 [0,1,0,0,0,0|2,0,0]=3 248 B15R2.4522 COc1cc(c[nH]c1=O)SCC2CO2 62a_102125554688_100010125397 [0,1,0,0,0,0|3,0,0]=4 249 B15R2.4522 COc1cc(c[nH]c1=O)SCC2CS2 62a_100000031435_100010125397 [0,1,0,0,0,0|3,0,0]=4 250 B15R2.4522 COc1cc(c[nH]c1=O)SC[C@@H]2CO2 62a_100000745022_100010125397 [0,1,0,0,0,0|3,0,0]=4 251 B15R2.4522 COc1cc(ncc1Br)COC2CC2 34a_100010999569_100000211595 [0,1,0,0,0,0|3,0,0]=4 252 B15R2.4522 COc1cc(ncc1C)SCC2CC2 62a_100000756562_100010067687 [0,1,0,0,0,0|3,0,0]=4 253 B15R2.4522 COc1cc(ncc1C)SCC2CC2 62a_100010067687_100000742324 [0,1,0,0,0,0|3,0,0]=4 254 B15R2.4522 COc1cc(ncc1F)SCC2CC2 62a_100000756562_200010136270 [0,1,0,0,0,0|3,0,0]=4 255 B15R2.4522 COc1cc(ncc1F)SCC2CC2 62a_200010136270_100000742324 [0,1,0,0,0,0|3,0,0]=4 256 B15R2.4522 COc1cc(ncc1N)SCC2CC2 62a_100000756562_100009887741 [0,1,0,0,0,0|3,0,0]=4 257 B15R2.4522 COc1cc(ncc1N)SCC2CC2 62a_100009887741_100000742324 [0,1,0,0,0,0|3,0,0]=4 258 B15R2.4522 COc1cc(nnc1N)SCC2CC2 62a_100000688033_100000742324 [0,1,0,0,0,0|2,0,1]=4 259 B15R2.4522 COc1cc(nnc1N)SCC2CC2 62a_100000756562_100000688033 [0,1,0,0,0,0|2,0,1]=4 260 B15R2.4522 OCc1cc(ncc1F)SCC2CC2 62a_100000081974_100000742324 [0,1,0,0,0,0|3,0,0]=4 261 B15R2.4522 OCc1cc(ncc1F)SCC2CC2 62a_100000756562_100000081974 [0,1,0,0,0,0|3,0,0]=4 262 B15R2.15597 Cc1[nH]c(=O)c(cc1SCC2CC2)N 62a_100000756562_100010126670 [0,1,0,0,0,0|3,0,0]=4 263 B15R2.15597 Cc1[nH]c(=O)c(cc1SCC2CC2)N 62a_100010126670_100000742324 [0,1,0,0,0,0|3,0,0]=4 264 B15R2.31892 COc1cnc(cc1O)SCC2CC2 62a_100000756562_100010264082 [0,1,0,0,0,0|2,0,1]=4 265 B15R2.31892 Cc1cc(ncc1C=O)SCC2CC2 62a_100000085382_100000742324 [0,1,0,0,0,0|3,0,0]=4 266 B15R2.31892 Cc1cc(ncc1C=O)SCC2CC2 62a_100000756562_100000085382 [0,1,0,0,0,0|3,0,0]=4 267 B15R2.31892 Nc1cc(ncc1C=O)SCC2CC2 62a_100000050503_100000742324 [0,1,0,0,0,0|3,0,0]=4 268 B15R2.31892 Nc1cc(ncc1C=O)SCC2CC2 62a_100000756562_100000050503 [0,1,0,0,0,0|3,0,0]=4 269 B15R2.31892 O=Cc1ccc(cc1O)SCC2CC2 62a_100000756562_100011277552 [0,1,0,0,0,0|3,0,0]=4 270 B15R2.31892 O=Cc1ccc(cc1O)SCC2CC2 62a_100011277552_100000742324 [0,1,0,0,0,0|3,0,0]=4 271 B15R2.65845 Cc1c(c[nH]c(=O)c1N)SCC2CC2 62a_100000756562_100010163742 [0,1,0,0,0,0|3,0,0]=4 272 B15R2.65845 Cc1c(c[nH]c(=O)c1N)SCC2CC2 62a_100010163742_100000742324 [0,1,0,0,0,0|3,0,0]=4 273 B15R2.152902 Cc1cc(cn(c1=O)C)SCC2CC2 62a_100000756562_100011830242 [0,1,0,0,0,0|3,0,0]=4 274 B15R2.152902 Cc1cc(cn(c1=O)C)SCC2CC2 62a_100011830242_100000742324 [0,1,0,0,0,0|3,0,0]=4 275 B15R2.152902 Cc1cc(nn(c1=O)C)C#CC2CC2 271570a_200009880635_100010988966 [0,1,0,0,0,0|1,0,2]=4 276 B15R2.152902 Cc1cc(nn(c1=O)C)C=CC2CC2 271570a_100102526188_100010988966 [0,1,0,0,0,0|1,0,2]=4 277 B15R2.152902 Cc1cc(nn(c1=O)C)SCC2CC2 62a_100000756562_100010988966 [0,1,0,0,0,0|2,0,0]=3 278 B15R2.152902 Cc1cc(nn(c1=O)C)SCC2CC2 62a_100010988966_100000742324 [0,1,0,0,0,0|2,0,0]=3 279 B15R2.152902 Cc1cc(nn(c1=O)C)SCC2CO2 62a_100010988966_102125554688 [0,1,0,0,0,0|3,0,0]=4 280 B15R2.152902 Cc1cc(nn(c1=O)C)SCC2CO2 62a_102125554688_100010988966 [0,1,0,0,0,0|3,0,0]=4 281 B15R2.152902 Cc1cc(nn(c1=O)C)SCC2CS2 62a_100000031435_100010988966 [0,1,0,0,0,0|3,0,0]=4 282 B15R2.152902 Cc1cc(nn(c1=O)C)SCC2CS2 62a_100010988966_100000031435 [0,1,0,0,0,0|3,0,0]=4 283 B15R2.152902 Cc1cc(nn(c1=O)C)SC[C@@H]2CO2 62a_100000745022_100010988966 [0,1,0,0,0,0|3,0,0]=4 284 B15R2.152902 Cc1cc(nn(c1=O)C)SC[C@@H]2CO2 62a_100010988966_100000745022 [0,1,0,0,0,0|3,0,0]=4 285 B15R2.152902 Cn1cc(cc(c1=O)F)SCC2CC2 62a_100000756562_100010749421 [0,1,0,0,0,0|3,0,0]=4 286 B15R2.152902 Cn1cc(cc(c1=O)F)SCC2CC2 62a_100010749421_100000742324 [0,1,0,0,0,0|3,0,0]=4 287 B15R2.152902 Cn1cc(cc(c1=O)N)SCC2CC2 62a_100000756562_106446545582 [0,1,0,0,0,0|3,0,0]=4 288 B15R2.152902 Cn1cc(cc(c1=O)N)SCC2CC2 62a_106446545582_100000742324 [0,1,0,0,0,0|3,0,0]=4 289 B13R1.511 CC(C)C=Cc1c[nH]c(=O)c(c1)O 271570a_100016257149_100009814561 [0,0,1,0,0,0|1,0,2]=4 290 B13R1.511 CC(C)C=Cc1cc(c(=O)[nH]n1)N 271570a_100016257149_100000102183 [0,0,1,0,0,0|1,0,2]=4 291 B13R1.511 CC(C)CSc1c[nH]c(=O)c(c1)Br 62a_100000210624_100010125443 [0,0,1,0,0,0|3,0,0]=4 292 B13R1.511 CC(C)CSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210760 [0,0,1,0,0,0|3,0,0]=4 293 B13R1.511 CC(C)CSc1c[nH]c(=O)c(c1)F 62a_100000210624_100000723523 [0,0,1,0,0,0|3,0,0]=4 294 B13R1.511 CC(C)CSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210760 [0,0,1,0,0,0|3,0,0]=4 295 B13R1.511 CC(C)CSc1c[nH]c(=O)c(c1)O 62a_100000210624_100009814561 [0,0,1,0,0,0|2,0,0]=3 296 B13R1.511 CC(C)CSc1cc(c(=O)[nH]n1)N 62a_100000210624_100000102183 [0,0,1,0,0,0|2,0,0]=3 297 B13R1.511 CC(C)CSc1cc(c(cn1)F)O 62a_100000210624_100009854642 [0,0,1,0,0,0|3,0,0]=4 298 B13R1.511 CC(C)CSc1cc(c(cn1)F)O 62a_100009854642_100000210760 [0,0,1,0,0,0|3,0,0]=4 299 B13R1.511 CC(C)NCc1c[nH]c(=O)c(c1)Cl 207a_100138425928_100000051075 [0,0,1,0,0,0|3,0,0]=4 300 B13R1.511 CC(O)CSc1c[nH]c(=O)c(c1)O 62a_100011218427_100009814561 [0,0,1,0,0,0|3,0,0]=4 301 B13R1.511 CC(O)CSc1cc(c(=O)[nH]n1)N 62a_100011218427_100000102183 [0,0,1,0,0,0|3,0,0]=4 302 B13R1.511 C[C@@H](O)CSc1c[nH]c(=O)c(c1)O 62a_100009817552_100009814561 [0,0,1,0,0,0|3,0,0]=4 303 B13R1.511 C[C@@H](O)CSc1cc(c(=O)[nH]n1)N 62a_100009817552_100000102183 [0,0,1,0,0,0|3,0,0]=4 304 B13R1.511 Cc1cc(n[nH]c1=O)C=CC(C)C 271570a_100016257149_100012187101 [0,0,1,0,0,0|1,0,2]=4 305 B13R1.511 Cc1cc(n[nH]c1=O)SCC(C)C 62a_100000210624_100012187101 [0,0,1,0,0,0|2,0,0]=3 306 B13R1.511 Cc1cc(n[nH]c1=O)SCC(C)O 62a_100011218427_100012187101 [0,0,1,0,0,0|3,0,0]=4 307 B13R1.511 Cc1cc(n[nH]c1=O)SC[C@@H](C)O 62a_100009817552_100012187101 [0,0,1,0,0,0|3,0,0]=4 308 B13R1.511 Cc1cnc(cc1O)SCC(C)C 62a_100000210624_100000704368 [0,0,1,0,0,0|3,0,0]=4 309 B13R1.511 Cc1cnc(cc1O)SCC(C)C 62a_100000704368_100000210760 [0,0,1,0,0,0|3,0,0]=4 310 B13R1.669 CCCC=Cc1c[nH]c(=O)c(c1)O 271570a_100016258520_100009814561 [0,0,1,0,0,0|1,0,2]=4 311 B13R1.669 CCCC=Cc1cc(c(=O)[nH]n1)C 271570a_100016258520_100012187101 [0,0,1,0,0,0|1,0,2]=4 312 B13R1.669 CCCC=Cc1cc(c(=O)[nH]n1)N 271570a_100016258520_100000102183 [0,0,1,0,0,0|1,0,2]=4 313 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)Br 62a_100000210211_100010125443 [0,0,1,0,0,0|3,0,0]=4 314 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210210 [0,0,1,0,0,0|3,0,0]=4 315 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)F 62a_100000210211_100000723523 [0,0,1,0,0,0|3,0,0]=4 316 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210210 [0,0,1,0,0,0|3,0,0]=4 317 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)O 62a_100000210211_100009814561 [0,0,1,0,0,0|2,0,0]=3 318 B13R1.669 CCCCSc1cc(c(=O)[nH]n1)C 62a_100000210211_100012187101 [0,0,1,0,0,0|2,0,0]=3 319 B13R1.669 CCCCSc1cc(c(=O)[nH]n1)N 62a_100000210211_100000102183 [0,0,1,0,0,0|2,0,0]=3 320 B13R1.669 CCCCSc1cc(c(cn1)C)O 62a_100000210211_100000704368 [0,0,1,0,0,0|3,0,0]=4 321 B13R1.669 CCCCSc1cc(c(cn1)C)O 62a_100000704368_100000210210 [0,0,1,0,0,0|3,0,0]=4 322 B13R1.669 CCCCSc1cc(c(cn1)F)O 62a_100000210211_100009854642 [0,0,1,0,0,0|3,0,0]=4 323 B13R1.669 CCCCSc1cc(c(cn1)F)O 62a_100009854642_100000210210 [0,0,1,0,0,0|3,0,0]=4 324 B13R1.669 CCCNCc1c[nH]c(=O)c(c1)Cl 207a_100020643023_100000051075 [0,0,1,0,0,0|3,0,0]=4 325 B13R1.669 CCCNCc1c[nH]c(=O)c(c1)Cl 270004a_100020643023_100000051075 [0,0,1,0,0,0|3,0,0]=4 326 B13R1.669 CCOCSc1c[nH]c(=O)c(c1)O 62a_100000739092_100009814561 [0,0,1,0,0,0|3,0,0]=4 327 B13R1.669 CCOCSc1cc(c(=O)[nH]n1)C 62a_100000739092_100012187101 [0,0,1,0,0,0|3,0,0]=4 328 B13R1.669 CCOCSc1cc(c(=O)[nH]n1)N 62a_100000739092_100000102183 [0,0,1,0,0,0|3,0,0]=4 329 B13R1.669 COCCSc1c[nH]c(=O)c(c1)O 62a_100000233755_100009814561 [0,0,1,0,0,0|3,0,0]=4 330 B13R1.669 COCCSc1cc(c(=O)[nH]n1)C 62a_100000233755_100012187101 [0,0,1,0,0,0|3,0,0]=4 331 B13R1.669 COCCSc1cc(c(=O)[nH]n1)N 62a_100000233755_100000102183 [0,0,1,0,0,0|3,0,0]=4 332 B13R1.669 CSCCSc1c[nH]c(=O)c(c1)O 62a_100000212216_100009814561 [0,0,1,0,0,0|3,0,0]=4 333 B13R1.669 CSCCSc1cc(c(=O)[nH]n1)C 62a_100000212216_100012187101 [0,0,1,0,0,0|3,0,0]=4 334 B13R1.669 CSCCSc1cc(c(=O)[nH]n1)N 62a_100000212216_100000102183 [0,0,1,0,0,0|3,0,0]=4 335 B13R1.669 Cc1cc(n[nH]c1=O)SCCCF 62a_100011934791_100012187101 [0,0,1,0,0,0|3,0,0]=4 336 B13R1.669 Cc1cc(n[nH]c1=O)SCCCO 62a_100011215043_100012187101 [0,0,1,0,0,0|3,0,0]=4 337 B13R1.669 Nc1cc(n[nH]c1=O)SCCCF 62a_100011934791_100000102183 [0,0,1,0,0,0|3,0,0]=4 338 B13R1.669 Nc1cc(n[nH]c1=O)SCCCO 62a_100011215043_100000102183 [0,0,1,0,0,0|3,0,0]=4 339 B13R1.669 O=c1[nH]cc(cc1O)SCCCF 62a_100011934791_100009814561 [0,0,1,0,0,0|3,0,0]=4 340 B13R1.669 O=c1[nH]cc(cc1O)SCCCO 62a_100011215043_100009814561 [0,0,1,0,0,0|3,0,0]=4 341 B13R1.3546 C=CC(=O)NCC(=O)CCC1CC1 1458a_200011222540_100000694398 [0,0,1,0,0,0|3,0,0]=4 342 B13R2.521 Cc1cnc(cc1O)SC2CC2 62a_100000704368_100000211595 [0,0,0,0,1,0|3,0,0]=4 343 B13R2.521 O=c1[nH]cc(cc1Br)SC2CC2 62a_100010125443_100000211595 [0,0,0,0,1,0|3,0,0]=4 344 B13R2.521 O=c1[nH]cc(cc1F)SC2CC2 62a_100000723523_100000211595 [0,0,0,0,1,0|3,0,0]=4 345 B13R2.521 Oc1cc(ncc1F)SC2CC2 62a_100009854642_100000211595 [0,0,0,0,1,0|3,0,0]=4 346 B13R2.10270 Cc1[nH]nc(c1C)SCC2CC2 62a_100000756562_100015309786 [0,0,0,0,1,0|3,0,0]=4 347 B13R2.10270 Cc1[nH]nc(c1C)SCC2CC2 62a_100015309786_100000742324 [0,0,0,0,1,0|3,0,0]=4 348 B13R2.10270 Cn1c(n[nH]c1=O)CSC2CC2 62a_100010408635_100000211595 [0,0,0,0,1,0|3,0,0]=4 349 B15R2.18906 Cc1cc(n[nH]c1=O)SCCC2CC2 62a_100000764125_100012187101 [0,0,0,0,0,1|1,0,0]=2 350 B15R2.18906 Cc1cc(n[nH]c1=O)SCCC2CO2 62a_100000732470_100012187101 [0,0,0,0,0,1|2,0,0]=3 351 B15R2.18906 Cc1cc(ncc1Br)CNCC2CC2 207a_100000735609_100009814806 [0,0,0,0,0,1|3,0,0]=4 352 B15R2.18906 Cc1cc(ncc1Br)CNCC2CC2 270004a_100000735609_100009814806 [0,0,0,0,0,1|3,0,0]=4 353 B15R2.18906 Cc1cc(ncc1Br)COCC2CC2 34a_200010713146_100000742324 [0,0,0,0,0,1|3,0,0]=4 354 B15R2.18906 Cc1cc(ncc1Br)OCCC2CC2 34a_100000766222_100000694398 [0,0,0,0,0,1|3,0,0]=4 355 B15R2.18906 Cc1cc(ncc1Br)SCCC2CC2 62a_100000764125_100012356354 [0,0,0,0,0,1|3,0,0]=4 356 B15R2.18906 Cc1cc(ncc1Br)SCCC2CC2 62a_100012356354_100000764125 [0,0,0,0,0,1|3,0,0]=4 357 B15R2.18906 Cc1cc(ncc1Cl)OCCC2CC2 34a_200000085746_100000694398 [0,0,0,0,0,1|3,0,0]=4 358 B15R2.18906 Cc1cc(ncc1F)SCCC2CC2 62a_100000764125_100009818257 [0,0,0,0,0,1|3,0,0]=4 359 B15R2.18906 Cc1cc(ncc1F)SCCC2CC2 62a_100009818257_100000764125 [0,0,0,0,0,1|3,0,0]=4 360 B15R2.18906 Cc1cc(ncc1N)SCCC2CC2 62a_100000067204_100000764125 [0,0,0,0,0,1|3,0,0]=4 361 B15R2.18906 Cc1cc(ncc1N)SCCC2CC2 62a_100000764125_100000067204 [0,0,0,0,0,1|3,0,0]=4 362 B15R2.18906 Cc1cc(ncc1O)SCCC2CC2 62a_100000764125_100000692680 [0,0,0,0,0,1|2,0,1]=4 363 B15R2.18906 Cc1cc(nnc1N)SCCC2CC2 62a_100000764125_100153394926 [0,0,0,0,0,1|2,0,1]=4 364 B15R2.18906 Cc1cc(nnc1N)SCCC2CC2 62a_100153394926_100000764125 [0,0,0,0,0,1|2,0,1]=4 365 B15R2.18906 Cc1ccc(cc1O)NCCC2CC2 34a_100000759471_100000694398 [0,0,0,0,0,1|3,0,0]=4 366 B15R2.18906 Cc1ccc(cc1O)NCCC2CC2 7a_100000759471_100000764125 [0,0,0,0,0,1|3,0,0]=4 367 B15R2.18906 Cc1ccc(cc1O)SCCC2CC2 62a_100000685420_100000764125 [0,0,0,0,0,1|3,0,0]=4 368 B15R2.18906 Cc1ccc(cc1O)SCCC2CC2 62a_100000764125_100000685420 [0,0,0,0,0,1|3,0,0]=4 369 B15R2.18906 Cc1cnc(cc1Br)CNCC2CC2 207a_100000735609_100010174032 [0,0,0,0,0,1|3,0,0]=4 370 B15R2.18906 Cc1cnc(cc1Br)CNCC2CC2 270004a_100000735609_100010174032 [0,0,0,0,0,1|3,0,0]=4 371 B15R2.18906 Cc1cnc(cc1Br)COCC2CC2 34a_100010113723_100000742324 [0,0,0,0,0,1|3,0,0]=4 372 B15R2.18906 Cc1cnc(cc1Br)COCC2CC2 7a_100010113723_100000742324 [0,0,0,0,0,1|3,0,0]=4 373 B15R2.18906 Cc1cnc(cc1Br)OCCC2CC2 34a_100009831917_100000694398 [0,0,0,0,0,1|3,0,0]=4 374 B15R2.18906 Cc1cnc(cc1C)SCCC2CC2 62a_100000764125_100009850809 [0,0,0,0,0,1|3,0,0]=4 375 B15R2.18906 Cc1cnc(cc1C)SCCC2CC2 62a_100009850809_100000764125 [0,0,0,0,0,1|3,0,0]=4 376 B15R2.18906 Cc1cnc(cc1Cl)COCC2CC2 34a_200000144627_100000742324 [0,0,0,0,0,1|3,0,0]=4 377 B15R2.18906 Cc1cnc(cc1Cl)COCC2CC2 7a_200000144627_100000742324 [0,0,0,0,0,1|3,0,0]=4 378 B15R2.18906 Cc1cnc(cc1F)NCCC2CC2 27a_100000764129_100009841206 [0,0,0,0,0,1|3,0,0]=4 379 B15R2.18906 Cc1cnc(cc1F)SCCC2CC2 62a_100000764125_100009841206 [0,0,0,0,0,1|3,0,0]=4 380 B15R2.18906 Cc1cnc(cc1F)SCCC2CC2 62a_100009841206_100000764125 [0,0,0,0,0,1|3,0,0]=4 381 B15R2.18906 Cc1cnc(cc1N)SCCC2CC2 62a_100000126663_100000764125 [0,0,0,0,0,1|3,0,0]=4 382 B15R2.18906 Cc1cnc(cc1N)SCCC2CC2 62a_100000764125_100000126663 [0,0,0,0,0,1|3,0,0]=4 383 B15R2.18906 Cc1cnc(cc1O)SCCC2CC2 62a_100000704368_100000764125 [0,0,0,0,0,1|2,0,0]=3 384 B15R2.18906 Cc1cnc(cc1O)SCCC2CC2 62a_100000764125_100000704368 [0,0,0,0,0,1|2,0,0]=3 385 B15R2.18906 Cc1cnc(cc1O)SCCC2CO2 62a_100000704368_100000732470 [0,0,0,0,0,1|3,0,0]=4 386 B15R2.18906 Cc1cnc(cc1O)SCCC2CO2 62a_100000732470_100000704368 [0,0,0,0,0,1|3,0,0]=4 387 B15R2.18906 Cc1nc(c[nH]c1=O)SCCC2CC2 62a_100000764125_100010363809 [0,0,0,0,0,1|3,0,0]=4 388 B15R2.18906 Cc1nc(c[nH]c1=O)SCCC2CC2 62a_100010363809_100000764125 [0,0,0,0,0,1|3,0,0]=4 389 B15R2.18906 Cc1ncc(cc1O)SCCC2CC2 62a_100000764125_100009864810 [0,0,0,0,0,1|2,0,1]=4 390 B15R2.18906 Cc1ncc(cc1O)SCCC2CC2 62a_100009864810_100000764125 [0,0,0,0,0,1|2,0,1]=4 391 B15R2.18906 Clc1cc(ncc1Br)OCCC2CC2 34a_100010369989_100000694398 [0,0,0,0,0,1|3,0,0]=4 392 B15R2.18906 Clc1cnc(cc1Cl)OCCC2CC2 34a_200000099200_100000694398 [0,0,0,0,0,1|3,0,0]=4 393 B15R2.18906 Cn1cc(ncc1=O)SCCC2CC2 62a_100000764125_100009843036 [0,0,0,0,0,1|3,0,0]=4 394 B15R2.18906 Cn1cc(ncc1=O)SCCC2CC2 62a_100009843036_100000764125 [0,0,0,0,0,1|3,0,0]=4 395 B15R2.18906 Nc1cc(n[nH]c1=O)SCCC2CC2 62a_100000764125_100000102183 [0,0,0,0,0,1|1,0,0]=2 396 B15R2.18906 Nc1cc(n[nH]c1=O)SCCC2CO2 62a_100000732470_100000102183 [0,0,0,0,0,1|2,0,0]=3 397 B15R2.18906 Nc1cc(ncc1F)SCCC2CC2 62a_100000126464_100000764125 [0,0,0,0,0,1|3,0,0]=4 398 B15R2.18906 Nc1cc(ncc1F)SCCC2CC2 62a_100000764125_100000126464 [0,0,0,0,0,1|3,0,0]=4 399 B15R2.18906 Nc1cc(ncc1O)SCCC2CC2 62a_100000764125_100009819941 [0,0,0,0,0,1|2,0,1]=4 400 B15R2.18906 Nc1cc(ncc1O)SCCC2CC2 62a_100009819941_100000764125 [0,0,0,0,0,1|2,0,1]=4 401 B15R2.18906 Nc1ccc(cc1O)SCCC2CC2 62a_100000739049_100000764125 [0,0,0,0,0,1|3,0,0]=4 402 B15R2.18906 Nc1ccc(cc1O)SCCC2CC2 62a_100000764125_100000739049 [0,0,0,0,0,1|3,0,0]=4 403 B15R2.18906 Nc1cnc(cc1N)SCCC2CC2 62a_100000067514_100000764125 [0,0,0,0,0,1|3,0,0]=4 404 B15R2.18906 Nc1cnc(cc1N)SCCC2CC2 62a_100000764125_100000067514 [0,0,0,0,0,1|3,0,0]=4 405 B15R2.18906 Nc1ncc(cc1O)SCCC2CC2 62a_100000764125_100009819042 [0,0,0,0,0,1|2,0,1]=4 406 B15R2.18906 Nc1ncc(cc1O)SCCC2CC2 62a_100009819042_100000764125 [0,0,0,0,0,1|2,0,1]=4 407 B15R2.18906 O=c1[nH]cc(cc1Br)SCCC2CC2 62a_100000764125_100010125443 [0,0,0,0,0,1|2,0,0]=3 408 B15R2.18906 O=c1[nH]cc(cc1Br)SCCC2CC2 62a_100010125443_100000764125 [0,0,0,0,0,1|2,0,0]=3 409 B15R2.18906 O=c1[nH]cc(cc1Br)SCCC2CO2 62a_100000732470_100010125443 [0,0,0,0,0,1|3,0,0]=4 410 B15R2.18906 O=c1[nH]cc(cc1Br)SCCC2CO2 62a_100010125443_100000732470 [0,0,0,0,0,1|3,0,0]=4 411 B15R2.18906 O=c1[nH]cc(cc1Cl)CNCC2CC2 207a_100000735609_100000051075 [0,0,0,0,0,1|2,0,0]=3 412 B15R2.18906 O=c1[nH]cc(cc1Cl)CNCC2CC2 270004a_100000735609_100000051075 [0,0,0,0,0,1|2,0,0]=3 413 B15R2.18906 O=c1[nH]cc(cc1F)SCCC2CC2 62a_100000723523_100000764125 [0,0,0,0,0,1|2,0,0]=3 414 B15R2.18906 O=c1[nH]cc(cc1F)SCCC2CC2 62a_100000764125_100000723523 [0,0,0,0,0,1|2,0,0]=3 415 B15R2.18906 O=c1[nH]cc(cc1F)SCCC2CO2 62a_100000723523_100000732470 [0,0,0,0,0,1|3,0,0]=4 416 B15R2.18906 O=c1[nH]cc(cc1F)SCCC2CO2 62a_100000732470_100000723523 [0,0,0,0,0,1|3,0,0]=4 417 B15R2.18906 O=c1[nH]cc(cc1O)SCCC2CC2 62a_100000764125_100009814561 [0,0,0,0,0,1|1,0,0]=2 418 B15R2.18906 O=c1[nH]cc(cc1O)SCCC2CO2 62a_100000732470_100009814561 [0,0,0,0,0,1|2,0,0]=3 419 B15R2.18906 Oc1cc(ccc1Br)SCCC2CC2 62a_100000764125_100012356990 [0,0,0,0,0,1|3,0,0]=4 420 B15R2.18906 Oc1cc(ccc1Br)SCCC2CC2 62a_100012356990_100000764125 [0,0,0,0,0,1|3,0,0]=4 421 B15R2.18906 Oc1cc(ccc1Cl)CNCC2CC2 269862a_100020636435_100000741477 [0,0,0,0,0,1|3,0,0]=4 422 B15R2.18906 Oc1cc(ccc1Cl)CNCC2CC2 34a_100020636435_100000742324 [0,0,0,0,0,1|3,0,0]=4 423 B15R2.18906 Oc1cc(ccc1Cl)NCCC2CC2 34a_100011934209_100000694398 [0,0,0,0,0,1|3,0,0]=4 424 B15R2.18906 Oc1cc(ccc1Cl)SCCC2CC2 62a_100000764125_100011356854 [0,0,0,0,0,1|3,0,0]=4 425 B15R2.18906 Oc1cc(ccc1Cl)SCCC2CC2 62a_100011356854_100000764125 [0,0,0,0,0,1|3,0,0]=4 426 B15R2.18906 Oc1cc(ccc1F)CNCC2CC2 269862a_100160469508_100000741477 [0,0,0,0,0,1|3,0,0]=4 427 B15R2.18906 Oc1cc(ccc1F)CNCC2CC2 34a_100160469508_100000742324 [0,0,0,0,0,1|3,0,0]=4 428 B15R2.18906 Oc1cc(ccc1F)NCCC2CC2 34a_100012017398_100000694398 [0,0,0,0,0,1|3,0,0]=4 429 B15R2.18906 Oc1cc(ccc1F)NCCC2CC2 7a_100012017398_100000764125 [0,0,0,0,0,1|3,0,0]=4 430 B15R2.18906 Oc1cc(ccc1F)SCCC2CC2 62a_100000686035_100000764125 [0,0,0,0,0,1|3,0,0]=4 431 B15R2.18906 Oc1cc(ccc1F)SCCC2CC2 62a_100000764125_100000686035 [0,0,0,0,0,1|3,0,0]=4 432 B15R2.18906 Oc1cc(cnc1F)SCCC2CC2 62a_100000764125_100009819871 [0,0,0,0,0,1|2,0,1]=4 433 B15R2.18906 Oc1cc(cnc1F)SCCC2CC2 62a_100009819871_100000764125 [0,0,0,0,0,1|2,0,1]=4 434 B15R2.18906 Oc1cc(ncc1F)SCCC2CC2 62a_100000764125_100009854642 [0,0,0,0,0,1|2,0,0]=3 435 B15R2.18906 Oc1cc(ncc1F)SCCC2CC2 62a_100009854642_100000764125 [0,0,0,0,0,1|2,0,0]=3 436 B15R2.18906 Oc1cc(ncc1F)SCCC2CO2 62a_100000732470_100009854642 [0,0,0,0,0,1|3,0,0]=4 437 B15R2.18906 Oc1cc(ncc1F)SCCC2CO2 62a_100009854642_100000732470 [0,0,0,0,0,1|3,0,0]=4 438 B15R2.18906 Oc1ccc(cc1O)CCNC2CC2 34a_100000210387_100000211595 [0,0,0,0,0,1|2,0,1]=4 439 B15R2.18906 Oc1ccc(cc1O)CNCC2CC2 34a_100000010075_100000742324 [0,0,0,0,0,1|2,0,1]=4 440 B15R2.18906 Oc1ccc(cc1O)NCCC2CC2 34a_100102946323_100000694398 [0,0,0,0,0,1|2,0,1]=4 441 B15R2.18906 Oc1ccc(cc1O)SCCC2CC2 62a_100000764125_100009813601 [0,0,0,0,0,1|2,0,1]=4 442 B15R2.18906 Oc1nc(ncc1F)NCCC2CC2 27a_100000764129_100011995740 [0,0,0,0,0,1|3,0,0]=4 443 B15R2.18906 Oc1nc(ncc1F)SCCC2CC2 62a_100000764125_100011995740 [0,0,0,0,0,1|3,0,0]=4 444 B15R2.18973 Cc1cc(n[nH]c1=O)SCC2CCC2 62a_100000763275_100012187101 [0,0,0,0,0,1|2,0,0]=3 445 B15R2.18973 Cc1cc(n[nH]c1=O)SCC2CCO2 62a_100000103362_100012187101 [0,0,0,0,0,1|2,0,0]=3 446 B15R2.18973 Cc1cc(n[nH]c1=O)SCC2COC2 62a_100010264016_100012187101 [0,0,0,0,0,1|2,0,0]=3 447 B15R2.18973 Cc1cnc(cc1O)SCC2CCC2 62a_100000704368_100000763275 [0,0,0,0,0,1|3,0,0]=4 448 B15R2.18973 Cc1cnc(cc1O)SCC2CCC2 62a_100000763275_100000704368 [0,0,0,0,0,1|3,0,0]=4 449 B15R2.18973 Cc1cnc(cc1O)SCC2CCO2 62a_100000103362_100000704368 [0,0,0,0,0,1|3,0,0]=4 450 B15R2.18973 Cc1cnc(cc1O)SCC2CCO2 62a_100000704368_100000103362 [0,0,0,0,0,1|3,0,0]=4 451 B15R2.18973 Cc1cnc(cc1O)SCC2COC2 62a_100000704368_100010264016 [0,0,0,0,0,1|3,0,0]=4 452 B15R2.18973 Cc1cnc(cc1O)SCC2COC2 62a_100010264016_100000704368 [0,0,0,0,0,1|3,0,0]=4 453 B15R2.18973 Nc1cc(n[nH]c1=O)SCC2CCC2 62a_100000763275_100000102183 [0,0,0,0,0,1|2,0,0]=3 454 B15R2.18973 Nc1cc(n[nH]c1=O)SCC2CCO2 62a_100000103362_100000102183 [0,0,0,0,0,1|2,0,0]=3 455 B15R2.18973 Nc1cc(n[nH]c1=O)SCC2COC2 62a_100010264016_100000102183 [0,0,0,0,0,1|2,0,0]=3 456 B15R2.18973 O=c1[nH]cc(cc1Br)SCC2CCC2 62a_100000763275_100010125443 [0,0,0,0,0,1|3,0,0]=4 457 B15R2.18973 O=c1[nH]cc(cc1Br)SCC2CCC2 62a_100010125443_100000763275 [0,0,0,0,0,1|3,0,0]=4 458 B15R2.18973 O=c1[nH]cc(cc1Br)SCC2CCO2 62a_100000103362_100010125443 [0,0,0,0,0,1|3,0,0]=4 459 B15R2.18973 O=c1[nH]cc(cc1Br)SCC2CCO2 62a_100010125443_100000103362 [0,0,0,0,0,1|3,0,0]=4 460 B15R2.18973 O=c1[nH]cc(cc1Br)SCC2COC2 62a_100010125443_100010264016 [0,0,0,0,0,1|3,0,0]=4 461 B15R2.18973 O=c1[nH]cc(cc1Br)SCC2COC2 62a_100010264016_100010125443 [0,0,0,0,0,1|3,0,0]=4 462 B15R2.18973 O=c1[nH]cc(cc1Cl)CNC2COC2 207a_100016991112_100000051075 [0,0,0,0,0,1|3,0,0]=4 463 B15R2.18973 O=c1[nH]cc(cc1Cl)CNC2COC2 270004a_100016991112_100000051075 [0,0,0,0,0,1|3,0,0]=4 464 B15R2.18973 O=c1[nH]cc(cc1Cl)CNC2CSC2 207a_100016994217_100000051075 [0,0,0,0,0,1|3,0,0]=4 465 B15R2.18973 O=c1[nH]cc(cc1Cl)CNC2CSC2 270004a_100016994217_100000051075 [0,0,0,0,0,1|3,0,0]=4 466 B15R2.18973 O=c1[nH]cc(cc1F)SCC2CCC2 62a_100000723523_100000763275 [0,0,0,0,0,1|3,0,0]=4 467 B15R2.18973 O=c1[nH]cc(cc1F)SCC2CCC2 62a_100000763275_100000723523 [0,0,0,0,0,1|3,0,0]=4 468 B15R2.18973 O=c1[nH]cc(cc1F)SCC2CCO2 62a_100000103362_100000723523 [0,0,0,0,0,1|3,0,0]=4 469 B15R2.18973 O=c1[nH]cc(cc1F)SCC2CCO2 62a_100000723523_100000103362 [0,0,0,0,0,1|3,0,0]=4 470 B15R2.18973 O=c1[nH]cc(cc1F)SCC2COC2 62a_100000723523_100010264016 [0,0,0,0,0,1|3,0,0]=4 471 B15R2.18973 O=c1[nH]cc(cc1F)SCC2COC2 62a_100010264016_100000723523 [0,0,0,0,0,1|3,0,0]=4 472 B15R2.18973 O=c1[nH]cc(cc1O)SCC2CCC2 62a_100000763275_100009814561 [0,0,0,0,0,1|2,0,0]=3 473 B15R2.18973 O=c1[nH]cc(cc1O)SCC2CCO2 62a_100000103362_100009814561 [0,0,0,0,0,1|2,0,0]=3 474 B15R2.18973 O=c1[nH]cc(cc1O)SCC2COC2 62a_100010264016_100009814561 [0,0,0,0,0,1|2,0,0]=3 475 B15R2.18973 Oc1cc(ncc1F)SCC2CCC2 62a_100000763275_100009854642 [0,0,0,0,0,1|3,0,0]=4 476 B15R2.18973 Oc1cc(ncc1F)SCC2CCC2 62a_100009854642_100000763275 [0,0,0,0,0,1|3,0,0]=4 477 B15R2.18973 Oc1cc(ncc1F)SCC2CCO2 62a_100000103362_100009854642 [0,0,0,0,0,1|3,0,0]=4 478 B15R2.18973 Oc1cc(ncc1F)SCC2CCO2 62a_100009854642_100000103362 [0,0,0,0,0,1|3,0,0]=4 479 B15R2.18973 Oc1cc(ncc1F)SCC2COC2 62a_100009854642_100010264016 [0,0,0,0,0,1|3,0,0]=4 480 B15R2.18973 Oc1cc(ncc1F)SCC2COC2 62a_100010264016_100009854642 [0,0,0,0,0,1|3,0,0]=4 481 B12R1.21 CC(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200000210301 [1,0,1,0,0,0|1,0,1]=4 482 B12R1.21 CC(C)C=Cc1ccc(=O)[nH]n1 271570a_100016257149_100009820020 [1,0,1,0,0,0|0,0,2]=4 483 B12R1.21 CC(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000210624 [1,0,1,0,0,0|2,0,0]=4 484 B12R1.21 CC(C)CSc1ccc(=O)[nH]c1 62a_100000210624_100000212171 [1,0,1,0,0,0|2,0,0]=4 485 B12R1.21 CC(C)CSc1ccc(=O)[nH]c1 62a_100000212171_100000210760 [1,0,1,0,0,0|2,0,0]=4 486 B12R1.21 CC(C)CSc1ccc(=O)[nH]n1 62a_100000210624_100009820020 [1,0,1,0,0,0|1,0,0]=3 487 B12R1.21 CC(C)CSc1ccc(=O)[nH]n1 62a_100009820020_100000210760 [1,0,1,0,0,0|1,0,0]=3 488 B12R1.21 CC(C)NCc1ccc(=O)[nH]n1 207a_100138425928_100011361533 [1,0,1,0,0,0|1,0,0]=3 489 B12R1.21 CC(C)OCc1ccc(=O)[nH]c1 34a_100011999846_100000210206 [1,0,1,0,0,0|2,0,0]=4 490 B12R1.21 CC(O)CSc1ccc(=O)[nH]n1 62a_100009820020_100011218427 [1,0,1,0,0,0|2,0,0]=4 491 B12R1.21 CC(O)CSc1ccc(=O)[nH]n1 62a_100011218427_100009820020 [1,0,1,0,0,0|2,0,0]=4 492 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]n1 62a_100009817552_100009820020 [1,0,1,0,0,0|2,0,0]=4 493 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]n1 62a_100009820020_100009817552 [1,0,1,0,0,0|2,0,0]=4 494 B12R1.21 [13CH3]C(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200025704644 [1,0,1,0,0,0|1,0,1]=4 495 B12R1.226 CC(C)CSc1cc(ccn1)O 62a_100000210624_100000762945 [1,0,1,0,0,0|2,0,0]=4 496 B12R1.226 CC(C)CSc1cc(cnn1)O 62a_100000210624_200010734679 [1,0,1,0,0,0|1,0,1]=4 497 B12R1.385 CCCCc1c[nH]c(=O)c(c1)Br 271570a_100020621405_100010125443 [1,0,1,0,0,0|2,0,0]=4 498 B12R1.385 CCCCc1c[nH]c(=O)c(c1)F 271570a_100020621405_100000723523 [1,0,1,0,0,0|2,0,0]=4 499 B12R1.385 CCCCc1c[nH]c(=O)c(c1)O 271570a_100020621405_100009814561 [1,0,1,0,0,0|1,0,0]=3 500 B12R1.385 CCCCc1cc(c(=O)[nH]n1)C 271570a_100020621405_100012187101 [1,0,1,0,0,0|1,0,0]=3 501 B12R1.385 CCCCc1cc(c(=O)[nH]n1)N 271570a_100020621405_100000102183 [1,0,1,0,0,0|1,0,0]=3 502 B12R1.385 CCCCc1cc(c(cn1)C)O 271570a_100020621405_100000704368 [1,0,1,0,0,0|2,0,0]=4 503 B12R1.385 CCCCc1cc(c(cn1)F)O 271570a_100020621405_100009854642 [1,0,1,0,0,0|2,0,0]=4 504 B12R1.385 CCCSc1c[nH]c(=O)c(c1)O 62a_100000210303_100009814561 [1,0,1,0,0,0|2,0,0]=4 505 B12R1.385 CCCSc1cc(c(=O)[nH]n1)C 62a_100000210303_100012187101 [1,0,1,0,0,0|2,0,0]=4 506 B12R1.385 CCCSc1cc(c(=O)[nH]n1)N 62a_100000210303_100000102183 [1,0,1,0,0,0|2,0,0]=4 507 B12R1.1 CCCC=Cc1ccc(=O)[nH]n1 271570a_100016258520_100009820020 [1,0,1,0,0,0|0,0,2]=4 508 B12R1.1 CCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210210 [1,0,1,0,0,0|2,0,0]=4 509 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000210211_100000212171 [1,0,1,0,0,0|2,0,0]=4 510 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210210 [1,0,1,0,0,0|2,0,0]=4 511 B12R1.1 CCCCSc1ccc(=O)[nH]n1 62a_100000210211_100009820020 [1,0,1,0,0,0|1,0,0]=3 512 B12R1.1 CCCCSc1ccc(=O)[nH]n1 62a_100009820020_100000210210 [1,0,1,0,0,0|1,0,0]=3 513 B12R1.1 CCCNCc1ccc(=O)[nH]n1 207a_100020643023_100011361533 [1,0,1,0,0,0|1,0,0]=3 514 B12R1.1 CCCNCc1ccc(=O)[nH]n1 270004a_100020643023_100011361533 [1,0,1,0,0,0|1,0,0]=3 515 B12R1.1 CCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210303 [1,0,1,0,0,0|2,0,0]=4 516 B12R1.1 CCOCSc1ccc(=O)[nH]n1 62a_100000739092_100009820020 [1,0,1,0,0,0|2,0,0]=4 517 B12R1.1 CCOCSc1ccc(=O)[nH]n1 62a_100009820020_100000739092 [1,0,1,0,0,0|2,0,0]=4 518 B12R1.1 COCCSc1ccc(=O)[nH]n1 62a_100000233755_100009820020 [1,0,1,0,0,0|2,0,0]=4 519 B12R1.1 COCCSc1ccc(=O)[nH]n1 62a_100009820020_100000233755 [1,0,1,0,0,0|2,0,0]=4 520 B12R1.1 CSCCSc1ccc(=O)[nH]n1 62a_100000212216_100009820020 [1,0,1,0,0,0|2,0,0]=4 521 B12R1.1 CSCCSc1ccc(=O)[nH]n1 62a_100009820020_100000751147 [1,0,1,0,0,0|2,0,0]=4 522 B12R1.1 O=c1ccc(n[nH]1)CNCCO 207a_100000210304_100011361533 [1,0,1,0,0,0|2,0,0]=4 523 B12R1.1 O=c1ccc(n[nH]1)CNCCO 270004a_100000210304_100011361533 [1,0,1,0,0,0|2,0,0]=4 524 B12R1.1 O=c1ccc(n[nH]1)SCCCF 62a_100009820020_100011934791 [1,0,1,0,0,0|2,0,0]=4 525 B12R1.1 O=c1ccc(n[nH]1)SCCCF 62a_100011934791_100009820020 [1,0,1,0,0,0|2,0,0]=4 526 B12R1.1 O=c1ccc(n[nH]1)SCCCO 62a_100009820020_100011215043 [1,0,1,0,0,0|2,0,0]=4 527 B12R1.1 O=c1ccc(n[nH]1)SCCCO 62a_100011215043_100009820020 [1,0,1,0,0,0|2,0,0]=4 528 B12R1.28 CCCCSc1cc(ccn1)O 62a_100000210211_100000762945 [1,0,1,0,0,0|2,0,0]=4 529 B12R1.28 CCCCSc1cc(cnn1)O 62a_100000210211_200010734679 [1,0,1,0,0,0|1,0,1]=4 530 B12R2.2057 c1ccc(nc1)CNC2CC2 34a_100000212008_100000721315 [2,0,0,0,0,0|2,0,0]=4 531 B12R2.2057 c1ccc(nc1)CSC2CC2 62a_100000721315_100000211595 [2,0,0,0,0,0|2,0,0]=4 532 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100000756562_100011216584 [2,0,0,0,0,0|2,0,0]=4 533 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100011216584_100000742324 [2,0,0,0,0,0|2,0,0]=4 534 B12R2.2057 c1cnnc(c1)CNC2CC2 34a_100000212008_100016990269 [2,0,0,0,0,0|1,0,1]=4 535 B12R2.2057 c1cnnc(c1)CSC2CC2 62a_100016990269_100000211595 [2,0,0,0,0,0|1,0,1]=4 536 B12R2.2057 c1cnnc(c1)NCC2CC2 27a_100000735609_100016991348 [2,0,0,0,0,0|1,0,1]=4 537 B12R2.2057 c1cnnc(c1)SCC2CC2 62a_100000756562_100016991348 [2,0,0,0,0,0|1,0,1]=4 538 B12R2.2057 c1cnnc(c1)SCC2CC2 62a_100016991348_100000742324 [2,0,0,0,0,0|1,0,1]=4 539 B14R1.42 COc1cc(c[nH]c1=O)SCC(C)C 62a_100000210624_100010125397 [0,1,1,0,0,0|2,0,0]=4 540 B14R1.684 CC(C)(C)CSc1c[nH]c(=O)c(c1)O 62a_100011219605_100009814561 [0,1,1,0,0,0|2,0,0]=4 541 B14R1.684 CC(C)(C)CSc1cc(c(=O)[nH]n1)N 62a_100011219605_100000102183 [0,1,1,0,0,0|2,0,0]=4 542 B14R1.684 CC(C)(F)CSc1c[nH]c(=O)c(c1)O 62a_100011997219_100009814561 [0,1,1,0,0,0|2,0,0]=4 543 B14R1.684 CC(C)(F)CSc1cc(c(=O)[nH]n1)N 62a_100011997219_100000102183 [0,1,1,0,0,0|2,0,0]=4 544 B14R1.684 CC(C)(O)CSc1c[nH]c(=O)c(c1)O 62a_100000764493_100009814561 [0,1,1,0,0,0|2,0,0]=4 545 B14R1.684 CC(C)(O)CSc1cc(c(=O)[nH]n1)N 62a_100000764493_100000102183 [0,1,1,0,0,0|2,0,0]=4 546 B14R1.684 Cc1cc(n[nH]c1=O)SCC(C)(C)C 62a_100011219605_100012187101 [0,1,1,0,0,0|2,0,0]=4 547 B14R1.684 Cc1cc(n[nH]c1=O)SCC(C)(C)F 62a_100011997219_100012187101 [0,1,1,0,0,0|2,0,0]=4 548 B14R1.684 Cc1cc(n[nH]c1=O)SCC(C)(C)O 62a_100000764493_100012187101 [0,1,1,0,0,0|2,0,0]=4 549 B14R1.685 CC(C)C[C@H](N)c1c[nH]c(=O)c(c1)Br 271570a_100015190218_100010125443 [0,1,1,0,0,0|2,0,0]=4 550 B14R1.685 CC(C)C[C@H](N)c1c[nH]c(=O)c(c1)F 271570a_100015190218_100000723523 [0,1,1,0,0,0|2,0,0]=4 551 B14R1.685 CC(C)C[C@H](N)c1c[nH]c(=O)c(c1)O 271570a_100015190218_100009814561 [0,1,1,0,0,0|1,0,0]=3 552 B14R1.685 CC(C)C[C@H](N)c1cc(c(=O)[nH]n1)N 271570a_100015190218_100000102183 [0,1,1,0,0,0|1,0,0]=3 553 B14R1.685 CC(C)C[C@H](N)c1cc(c(cn1)F)O 271570a_100015190218_100009854642 [0,1,1,0,0,0|2,0,0]=4 554 B14R1.685 Cc1cc(n[nH]c1=O)[C@@H](N)CC(C)C 271570a_100015190218_100012187101 [0,1,1,0,0,0|1,0,0]=3 555 B14R1.685 Cc1cnc(cc1O)[C@@H](N)CC(C)C 271570a_100015190218_100000704368 [0,1,1,0,0,0|2,0,0]=4 556 B14R1.833 CCC(C)CSc1c[nH]c(=O)c(c1)O 62a_100000748023_100009814561 [0,1,1,0,0,0|2,0,0]=4 557 B14R1.833 CCC(C)CSc1cc(c(=O)[nH]n1)C 62a_100000748023_100012187101 [0,1,1,0,0,0|2,0,0]=4 558 B14R1.833 CCC(C)CSc1cc(c(=O)[nH]n1)N 62a_100000748023_100000102183 [0,1,1,0,0,0|2,0,0]=4 559 B14R1.833 CC[C@H](C)CSc1c[nH]c(=O)c(c1)O 62a_100009816398_100009814561 [0,1,1,0,0,0|2,0,0]=4 560 B14R1.833 CC[C@H](C)CSc1cc(c(=O)[nH]n1)C 62a_100009816398_100012187101 [0,1,1,0,0,0|2,0,0]=4 561 B14R1.833 CC[C@H](C)CSc1cc(c(=O)[nH]n1)N 62a_100009816398_100000102183 [0,1,1,0,0,0|2,0,0]=4 562 B14R1.833 C[C@@H](CO)CSc1c[nH]c(=O)c(c1)O 62a_100000059175_100009814561 [0,1,1,0,0,0|2,0,0]=4 563 B14R1.833 C[C@@H](CO)CSc1cc(c(=O)[nH]n1)N 62a_100000059175_100000102183 [0,1,1,0,0,0|2,0,0]=4 564 B14R1.833 Cc1cc(n[nH]c1=O)SC[C@@H](C)CO 62a_100000059175_100012187101 [0,1,1,0,0,0|2,0,0]=4 565 B14R1.15552 Cc1cc(nn(c1=O)C)SCC(C)C 62a_100000210624_100010988966 [0,1,1,0,0,0|2,0,0]=4 566 B14R1.15552 Cc1cc(nn(c1=O)C)SCC(C)C 62a_100010988966_100000210760 [0,1,1,0,0,0|2,0,0]=4 567 B14R1.61 CCCCSc1cc(c(=O)n(n1)C)C 62a_100000210211_100010988966 [0,1,1,0,0,0|2,0,0]=4 568 B14R1.61 CCCCSc1cc(c(=O)n(n1)C)C 62a_100010988966_100000210210 [0,1,1,0,0,0|2,0,0]=4 569 B14R1.232 CCCCC=Cc1c[nH]c(=O)c(c1)O 271570a_100016275911_100009814561 [0,1,1,0,0,0|1,0,1]=4 570 B14R1.232 CCCCC=Cc1cc(c(=O)[nH]n1)C 271570a_100016275911_100012187101 [0,1,1,0,0,0|1,0,1]=4 571 B14R1.232 CCCCC=Cc1cc(c(=O)[nH]n1)N 271570a_100016275911_100000102183 [0,1,1,0,0,0|1,0,1]=4 572 B14R1.232 CCCCCSc1c[nH]c(=O)c(c1)Br 62a_100000210326_100010125443 [0,1,1,0,0,0|2,0,0]=4 573 B14R1.232 CCCCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210326 [0,1,1,0,0,0|2,0,0]=4 574 B14R1.232 CCCCCSc1c[nH]c(=O)c(c1)F 62a_100000210326_100000723523 [0,1,1,0,0,0|2,0,0]=4 575 B14R1.232 CCCCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210326 [0,1,1,0,0,0|2,0,0]=4 576 B14R1.232 CCCCCSc1c[nH]c(=O)c(c1)O 62a_100000210326_100009814561 [0,1,1,0,0,0|1,0,0]=3 577 B14R1.232 CCCCCSc1cc(c(=O)[nH]n1)C 62a_100000210326_100012187101 [0,1,1,0,0,0|1,0,0]=3 578 B14R1.232 CCCCCSc1cc(c(=O)[nH]n1)N 62a_100000210326_100000102183 [0,1,1,0,0,0|1,0,0]=3 579 B14R1.232 CCCCCSc1cc(c(cn1)C)O 62a_100000210326_100000704368 [0,1,1,0,0,0|2,0,0]=4 580 B14R1.232 CCCCCSc1cc(c(cn1)C)O 62a_100000704368_100000210326 [0,1,1,0,0,0|2,0,0]=4 581 B14R1.232 CCCCCSc1cc(c(cn1)F)O 62a_100000210326_100009854642 [0,1,1,0,0,0|2,0,0]=4 582 B14R1.232 CCCCCSc1cc(c(cn1)F)O 62a_100009854642_100000210326 [0,1,1,0,0,0|2,0,0]=4 583 B14R1.232 CCCCNCc1c[nH]c(=O)c(c1)Cl 207a_100000102301_100000051075 [0,1,1,0,0,0|2,0,0]=4 584 B14R1.232 CCCCNCc1c[nH]c(=O)c(c1)Cl 270004a_100000102301_100000051075 [0,1,1,0,0,0|2,0,0]=4 585 B14R1.232 CCOCCSc1c[nH]c(=O)c(c1)O 62a_100000210147_100009814561 [0,1,1,0,0,0|2,0,0]=4 586 B14R1.232 CCOCCSc1cc(c(=O)[nH]n1)C 62a_100000210147_100012187101 [0,1,1,0,0,0|2,0,0]=4 587 B14R1.232 CCOCCSc1cc(c(=O)[nH]n1)N 62a_100000210147_100000102183 [0,1,1,0,0,0|2,0,0]=4 588 B14R1.232 CCSCCSc1c[nH]c(=O)c(c1)O 62a_100000757381_100009814561 [0,1,1,0,0,0|2,0,0]=4 589 B14R1.232 CCSCCSc1cc(c(=O)[nH]n1)C 62a_100000757381_100012187101 [0,1,1,0,0,0|2,0,0]=4 590 B14R1.232 CCSCCSc1cc(c(=O)[nH]n1)N 62a_100000757381_100000102183 [0,1,1,0,0,0|2,0,0]=4 591 B14R1.232 COCCCSc1c[nH]c(=O)c(c1)O 62a_100000709357_100009814561 [0,1,1,0,0,0|2,0,0]=4 592 B14R1.232 COCCCSc1cc(c(=O)[nH]n1)C 62a_100000709357_100012187101 [0,1,1,0,0,0|2,0,0]=4 593 B14R1.232 COCCCSc1cc(c(=O)[nH]n1)N 62a_100000709357_100000102183 [0,1,1,0,0,0|2,0,0]=4 594 B14R1.232 Cc1cc(n[nH]c1=O)SCCCCF 62a_100000729493_100012187101 [0,1,1,0,0,0|2,0,0]=4 595 B14R1.232 Cc1cc(n[nH]c1=O)SCCCCO 62a_100000210776_100012187101 [0,1,1,0,0,0|2,0,0]=4 596 B14R1.232 Nc1cc(n[nH]c1=O)SCCCCF 62a_100000729493_100000102183 [0,1,1,0,0,0|2,0,0]=4 597 B14R1.232 Nc1cc(n[nH]c1=O)SCCCCO 62a_100000210776_100000102183 [0,1,1,0,0,0|2,0,0]=4 598 B14R1.232 O=c1[nH]cc(cc1O)SCCCCF 62a_100000729493_100009814561 [0,1,1,0,0,0|2,0,0]=4 599 B14R1.232 O=c1[nH]cc(cc1O)SCCCCO 62a_100000210776_100009814561 [0,1,1,0,0,0|2,0,0]=4 600 B14R1.687 CC(C)CCSc1c[nH]c(=O)c(c1)O 62a_100000210312_100009814561 [0,1,1,0,0,0|2,0,0]=4 601 B14R1.687 CC(C)CCSc1cc(c(=O)[nH]n1)N 62a_100000210312_100000102183 [0,1,1,0,0,0|2,0,0]=4 602 B14R1.687 CC(O)CCSc1c[nH]c(=O)c(c1)O 62a_100012276601_100009814561 [0,1,1,0,0,0|2,0,0]=4 603 B14R1.687 CC(O)CCSc1cc(c(=O)[nH]n1)N 62a_100012276601_100000102183 [0,1,1,0,0,0|2,0,0]=4 604 B14R1.687 Cc1cc(n[nH]c1=O)SCCC(C)C 62a_100000210312_100012187101 [0,1,1,0,0,0|2,0,0]=4 605 B14R1.687 Cc1cc(n[nH]c1=O)SCCC(C)O 62a_100012276601_100012187101 [0,1,1,0,0,0|2,0,0]=4 606 B14R1.907 CCCCSc1c[nH]c(=O)c(c1)OC 62a_100000210211_100010125397 [0,1,1,0,0,0|2,0,0]=4 607 B14R1.967 CCCC(C)Sc1c[nH]c(=O)c(c1)O 62a_100000766640_100009814561 [0,1,1,0,0,0|2,0,0]=4 608 B14R1.967 CCCC(C)Sc1cc(c(=O)[nH]n1)C 62a_100000766640_100012187101 [0,1,1,0,0,0|2,0,0]=4 609 B14R1.967 CCCC(C)Sc1cc(c(=O)[nH]n1)N 62a_100000766640_100000102183 [0,1,1,0,0,0|2,0,0]=4 610 B14R1.6374 C=C(C)C(=O)NCC(=O)CCC1CC1 1458a_100000076187_100000694398 [0,1,1,0,0,0|2,0,0]=4 611 B14R2.328 O=Cc1ccc(nc1)SCC2CC2 62a_100000756562_100000766901 [1,1,0,0,0,0|2,0,0]=4 612 B14R2.328 O=Cc1ccc(nc1)SCC2CC2 62a_100000766901_100000742324 [1,1,0,0,0,0|2,0,0]=4 613 B14R2.328 O=Cc1ccc(nn1)SCC2CC2 62a_100000044651_100000742324 [1,1,0,0,0,0|1,0,1]=4 614 B14R2.328 O=Cc1ccc(nn1)SCC2CC2 62a_100000756562_100000044651 [1,1,0,0,0,0|1,0,1]=4 615 B14R2.948 CC1(CC1)NCc2ccc(=O)[nH]n2 207a_100000757604_100011361533 [1,1,0,0,0,0|1,0,0]=3 616 B14R2.948 CC1(CO1)CSc2ccc(=O)[nH]n2 62a_100000760498_100009820020 [1,1,0,0,0,0|2,0,0]=4 617 B14R2.948 CC1(CO1)CSc2ccc(=O)[nH]n2 62a_100009820020_100000760498 [1,1,0,0,0,0|2,0,0]=4 618 B14R2.949 CN(Cc1ccc(=O)[nH]n1)C2CC2 270004a_100000226674_100011361533 [1,1,0,0,0,0|1,0,0]=3 619 B14R2.4687 Cc1cc(=O)[nH]nc1C#CC2CC2 271570a_200009880635_100000081757 [1,1,0,0,0,0|0,0,2]=4 620 B14R2.4687 Cc1cc(=O)[nH]nc1C=CC2CC2 271570a_100102526188_100000081757 [1,1,0,0,0,0|0,0,2]=4 621 B14R2.4687 Cc1cc(=O)[nH]nc1SCC2CC2 62a_100000756562_100000081757 [1,1,0,0,0,0|1,0,0]=3 622 B14R2.4687 Cc1cc(=O)[nH]nc1SCC2CO2 62a_102125554688_100000081757 [1,1,0,0,0,0|2,0,0]=4 623 B14R2.4687 Cc1cc(=O)[nH]nc1SCC2CS2 62a_100000031435_100000081757 [1,1,0,0,0,0|2,0,0]=4 624 B14R2.4687 Cc1cc(=O)[nH]nc1SC[C@@H]2CO2 62a_100000745022_100000081757 [1,1,0,0,0,0|2,0,0]=4 625 B14R2.4687 Nc1[nH]c(=O)ccc1SCC2CC2 62a_100009884077_100000742324 [1,1,0,0,0,0|2,0,0]=4 626 B14R2.4687 O=c1[nH]nc(c(=O)[nH]1)NCC2CC2 27a_100000735609_100000181694 [1,1,0,0,0,0|2,0,0]=4 627 B14R2.4687 O=c1[nH]nc(c(=O)[nH]1)SCC2CC2 62a_100000756562_100000181694 [1,1,0,0,0,0|2,0,0]=4 628 B14R2.4687 O=c1cc(c(c[nH]1)SCC2CC2)F 62a_100000756562_100015631685 [1,1,0,0,0,0|2,0,0]=4 629 B14R2.4687 O=c1cc(c(c[nH]1)SCC2CC2)F 62a_100015631685_100000742324 [1,1,0,0,0,0|2,0,0]=4 630 B14R2.2185 COc1ccnc(c1)CNC2CC2 34a_100000212008_100000752681 [1,1,0,0,0,0|2,0,0]=4 631 B14R2.2185 COc1ccnc(c1)COC2CC2 34a_100000749536_100000211595 [1,1,0,0,0,0|2,0,0]=4 632 B14R2.2185 COc1ccnc(c1)CSC2CC2 62a_100000752681_100000211595 [1,1,0,0,0,0|2,0,0]=4 633 B14R2.2185 COc1ccnc(c1)SCC2CC2 62a_100000756562_100011216251 [1,1,0,0,0,0|2,0,0]=4 634 B14R2.2185 COc1ccnc(c1)SCC2CC2 62a_100009817693_100000742324 [1,1,0,0,0,0|2,0,0]=4 635 B14R2.2185 COc1cnnc(c1)SCC2CC2 62a_100000756562_100000087634 [1,1,0,0,0,0|1,0,1]=4 636 B14R2.2185 OCc1ccnc(c1)SCC2CC2 62a_100000756562_100009814636 [1,1,0,0,0,0|2,0,0]=4 637 B14R2.2185 OCc1ccnc(c1)SCC2CC2 62a_100009814636_100000742324 [1,1,0,0,0,0|2,0,0]=4 638 B14R2.4487 Oc1ccnc(c1F)SCC2CC2 62a_100000756562_100009876375 [1,1,0,0,0,0|2,0,0]=4 639 B14R2.4487 Oc1ccnc(c1F)SCC2CC2 62a_100009876375_100000742324 [1,1,0,0,0,0|2,0,0]=4 640 B14R2.954 C=C(c1c[nH]c(=O)c(c1)O)C2CC2 271570a_100010895485_100009814561 [0,1,0,0,1,0|1,0,1]=4 641 B14R2.954 C=C(c1cc(c(=O)[nH]n1)C)C2CC2 271570a_100010895485_100012187101 [0,1,0,0,1,0|1,0,1]=4 642 B14R2.954 C=C(c1cc(c(=O)[nH]n1)N)C2CC2 271570a_100010895485_100000102183 [0,1,0,0,1,0|1,0,1]=4 643 B14R2.23185 Cc1cc(nn(c1=O)C)SC2CC2 62a_100010988966_100000211595 [0,1,0,0,1,0|2,0,0]=4 644 B16R2.6912 COc1cc(c[nH]c1=O)SCCC2CC2 62a_100000764125_100010125397 [0,1,0,0,0,1|1,0,0]=3 645 B16R2.6912 COc1cc(c[nH]c1=O)SCCC2CO2 62a_100000732470_100010125397 [0,1,0,0,0,1|2,0,0]=4 646 B16R2.6912 COc1cc(ncc1Br)COCC2CC2 34a_100010999569_100000742324 [0,1,0,0,0,1|2,0,0]=4 647 B16R2.6912 COc1cc(ncc1C)SCCC2CC2 62a_100000764125_100010067687 [0,1,0,0,0,1|2,0,0]=4 648 B16R2.6912 COc1cc(ncc1C)SCCC2CC2 62a_100010067687_100000764125 [0,1,0,0,0,1|2,0,0]=4 649 B16R2.6912 COc1cc(ncc1F)SCCC2CC2 62a_100000764125_200010136270 [0,1,0,0,0,1|2,0,0]=4 650 B16R2.6912 COc1cc(ncc1F)SCCC2CC2 62a_200010136270_100000764125 [0,1,0,0,0,1|2,0,0]=4 651 B16R2.6912 COc1cc(ncc1N)SCCC2CC2 62a_100000764125_100009887741 [0,1,0,0,0,1|2,0,0]=4 652 B16R2.6912 COc1cc(ncc1N)SCCC2CC2 62a_100009887741_100000764125 [0,1,0,0,0,1|2,0,0]=4 653 B16R2.6912 COc1cc(nnc1N)SCCC2CC2 62a_100000688033_100000764125 [0,1,0,0,0,1|1,0,1]=4 654 B16R2.6912 COc1cc(nnc1N)SCCC2CC2 62a_100000764125_100000688033 [0,1,0,0,0,1|1,0,1]=4 655 B16R2.6912 OCc1cc(ncc1F)SCCC2CC2 62a_100000081974_100000764125 [0,1,0,0,0,1|2,0,0]=4 656 B16R2.6912 OCc1cc(ncc1F)SCCC2CC2 62a_100000764125_100000081974 [0,1,0,0,0,1|2,0,0]=4 657 B16R2.26089 Cc1[nH]c(=O)c(cc1SCCC2CC2)N 62a_100000764125_100010126670 [0,1,0,0,0,1|2,0,0]=4 658 B16R2.26089 Cc1[nH]c(=O)c(cc1SCCC2CC2)N 62a_100010126670_100000764125 [0,1,0,0,0,1|2,0,0]=4 659 B16R2.33072 CC(NCc1c[nH]c(=O)c(c1)Cl)C2CC2 207a_100000700016_100000051075 [0,1,0,0,0,1|2,0,0]=4 660 B16R2.33072 CC(NCc1c[nH]c(=O)c(c1)Cl)C2CC2 270004a_100000700016_100000051075 [0,1,0,0,0,1|2,0,0]=4 661 B16R2.33072 Cc1cc(n[nH]c1=O)SCC(=O)C2CC2 62a_100000746382_100012187101 [0,1,0,0,0,1|1,0,1]=4 662 B16R2.33072 Nc1cc(n[nH]c1=O)SCC(=O)C2CC2 62a_100000746382_100000102183 [0,1,0,0,0,1|1,0,1]=4 663 B16R2.33072 O=C(CSc1c[nH]c(=O)c(c1)O)C2CC2 62a_100000746382_100009814561 [0,1,0,0,0,1|1,0,1]=4 664 B16R2.33079 CC1(CC1)CNCc2c[nH]c(=O)c(c2)Cl 207a_100000766693_100000051075 [0,1,0,0,0,1|2,0,0]=4 665 B16R2.33079 CC1(CC1)CNCc2c[nH]c(=O)c(c2)Cl 270004a_100000766693_100000051075 [0,1,0,0,0,1|2,0,0]=4 666 B16R2.33079 O=c1[nH]cc(cc1Cl)CNCC2(CC2)O 207a_100011936951_100000051075 [0,1,0,0,0,1|2,0,0]=4 667 B16R2.33079 O=c1[nH]cc(cc1Cl)CNCC2(CC2)O 270004a_100011936951_100000051075 [0,1,0,0,0,1|2,0,0]=4 668 B16R2.33230 CN(Cc1c[nH]c(=O)c(c1)Cl)CC2CC2 270004a_100000741881_100000051075 [0,1,0,0,0,1|2,0,0]=4 669 B16R2.58751 COc1cnc(cc1O)SCCC2CC2 62a_100000764125_100010264082 [0,1,0,0,0,1|1,0,1]=4 670 B16R2.58751 Cc1cc(ncc1C=O)SCCC2CC2 62a_100000085382_100000764125 [0,1,0,0,0,1|2,0,0]=4 671 B16R2.58751 Cc1cc(ncc1C=O)SCCC2CC2 62a_100000764125_100000085382 [0,1,0,0,0,1|2,0,0]=4 672 B16R2.58751 Nc1cc(ncc1C=O)SCCC2CC2 62a_100000050503_100000764125 [0,1,0,0,0,1|2,0,0]=4 673 B16R2.58751 Nc1cc(ncc1C=O)SCCC2CC2 62a_100000764125_100000050503 [0,1,0,0,0,1|2,0,0]=4 674 B16R2.58751 O=Cc1ccc(cc1O)SCCC2CC2 62a_100000764125_100011277552 [0,1,0,0,0,1|2,0,0]=4 675 B16R2.58751 O=Cc1ccc(cc1O)SCCC2CC2 62a_100011277552_100000764125 [0,1,0,0,0,1|2,0,0]=4 676 B16R2.138163 Cc1c(c[nH]c(=O)c1N)SCCC2CC2 62a_100000764125_100010163742 [0,1,0,0,0,1|2,0,0]=4 677 B16R2.138163 Cc1c(c[nH]c(=O)c1N)SCCC2CC2 62a_100010163742_100000764125 [0,1,0,0,0,1|2,0,0]=4 678 B16R2.375769 Cc1cc(cn(c1=O)C)SCCC2CC2 62a_100000764125_100011830242 [0,1,0,0,0,1|2,0,0]=4 679 B16R2.375769 Cc1cc(cn(c1=O)C)SCCC2CC2 62a_100011830242_100000764125 [0,1,0,0,0,1|2,0,0]=4 680 B16R2.375769 Cc1cc(nn(c1=O)C)SCCC2CC2 62a_100000764125_100010988966 [0,1,0,0,0,1|1,0,0]=3 681 B16R2.375769 Cc1cc(nn(c1=O)C)SCCC2CC2 62a_100010988966_100000764125 [0,1,0,0,0,1|1,0,0]=3 682 B16R2.375769 Cc1cc(nn(c1=O)C)SCCC2CO2 62a_100000732470_100010988966 [0,1,0,0,0,1|2,0,0]=4 683 B16R2.375769 Cc1cc(nn(c1=O)C)SCCC2CO2 62a_100010988966_100000732470 [0,1,0,0,0,1|2,0,0]=4 684 B16R2.375769 Cn1cc(cc(c1=O)F)SCCC2CC2 62a_100000764125_100010749421 [0,1,0,0,0,1|2,0,0]=4 685 B16R2.375769 Cn1cc(cc(c1=O)F)SCCC2CC2 62a_100010749421_100000764125 [0,1,0,0,0,1|2,0,0]=4 686 B16R2.375769 Cn1cc(cc(c1=O)N)SCCC2CC2 62a_100000764125_106446545582 [0,1,0,0,0,1|2,0,0]=4 687 B16R2.375769 Cn1cc(cc(c1=O)N)SCCC2CC2 62a_106446545582_100000764125 [0,1,0,0,0,1|2,0,0]=4 688 B16R2.33078 Cc1cc(n[nH]c1=O)SCC2CC(=O)C2 62a_100009874392_100012187101 [0,1,0,0,0,1|2,0,0]=4 689 B16R2.33078 Nc1cc(n[nH]c1=O)SCC2CC(=O)C2 62a_100009874392_100000102183 [0,1,0,0,0,1|2,0,0]=4 690 B16R2.33078 O=C1CC(C1)CSc2c[nH]c(=O)c(c2)O 62a_100009874392_100009814561 [0,1,0,0,0,1|2,0,0]=4 691 B16R2.33203 CC1(CCC1)CSc2c[nH]c(=O)c(c2)O 62a_100000726658_100009814561 [0,1,0,0,0,1|2,0,0]=4 692 B16R2.33203 CC1(CCC1)CSc2cc(c(=O)[nH]n2)N 62a_100000726658_100000102183 [0,1,0,0,0,1|2,0,0]=4 693 B16R2.33203 CC1(COC1)CSc2c[nH]c(=O)c(c2)O 62a_100009817586_100009814561 [0,1,0,0,0,1|2,0,0]=4 694 B16R2.33203 CC1(COC1)CSc2cc(c(=O)[nH]n2)N 62a_100009817586_100000102183 [0,1,0,0,0,1|2,0,0]=4 695 B16R2.33203 Cc1cc(n[nH]c1=O)SCC2(CCC2)C 62a_100000726658_100012187101 [0,1,0,0,0,1|2,0,0]=4 696 B16R2.33203 Cc1cc(n[nH]c1=O)SCC2(COC2)C 62a_100009817586_100012187101 [0,1,0,0,0,1|2,0,0]=4 697 B16R2.54916 COc1cc(c[nH]c1=O)SCC2CCC2 62a_100000763275_100010125397 [0,1,0,0,0,1|2,0,0]=4 698 B16R2.54916 COc1cc(c[nH]c1=O)SCC2CCO2 62a_100000103362_100010125397 [0,1,0,0,0,1|2,0,0]=4 699 B16R2.54916 COc1cc(c[nH]c1=O)SCC2COC2 62a_100010264016_100010125397 [0,1,0,0,0,1|2,0,0]=4 700 B16R2.375751 Cc1cc(nn(c1=O)C)SCC2CCC2 62a_100000763275_100010988966 [0,1,0,0,0,1|2,0,0]=4 701 B16R2.375751 Cc1cc(nn(c1=O)C)SCC2CCC2 62a_100010988966_100000763275 [0,1,0,0,0,1|2,0,0]=4 702 B16R2.375751 Cc1cc(nn(c1=O)C)SCC2CCO2 62a_100000103362_100010988966 [0,1,0,0,0,1|2,0,0]=4 703 B16R2.375751 Cc1cc(nn(c1=O)C)SCC2CCO2 62a_100010988966_100000103362 [0,1,0,0,0,1|2,0,0]=4 704 B16R2.375751 Cc1cc(nn(c1=O)C)SCC2COC2 62a_100010264016_100010988966 [0,1,0,0,0,1|2,0,0]=4 705 B16R2.375751 Cc1cc(nn(c1=O)C)SCC2COC2 62a_100010988966_100010264016 [0,1,0,0,0,1|2,0,0]=4 706 B16R2.62805 Cc1cc(n[nH]c1=O)SCC2(CC2)C#N 62a_100000695377_100012187101 [0,2,0,0,0,0|2,0,0]=4 707 B16R2.62805 N#CC1(CC1)CSc2c[nH]c(=O)c(c2)O 62a_100000695377_100009814561 [0,2,0,0,0,0|2,0,0]=4 708 B16R2.62805 N#CC1(CC1)CSc2cc(c(=O)[nH]n2)N 62a_100000695377_100000102183 [0,2,0,0,0,0|2,0,0]=4 709 B16R2.33219 Cc1cc(n[nH]c1=O)SCC2CC2(F)F 62a_100009817841_100012187101 [0,2,0,0,0,0|2,0,0]=4 710 B16R2.33219 Nc1cc(n[nH]c1=O)SCC2CC2(F)F 62a_100009817841_100000102183 [0,2,0,0,0,0|2,0,0]=4 711 B16R2.33219 O=c1[nH]cc(cc1O)SCC2CC2(F)F 62a_100009817841_100009814561 [0,2,0,0,0,0|2,0,0]=4 712 B16R2.196403 COc1cc(ncc1C=O)SCC2CC2 62a_100000756562_100009846838 [0,2,0,0,0,0|2,0,0]=4 713 B16R2.196403 COc1cc(ncc1C=O)SCC2CC2 62a_100009846838_100000742324 [0,2,0,0,0,0|2,0,0]=4 714 B12R0.251 CCCCCC=NNC(=O)C(=O)N 4a_100000211141_100000737632 [0,0,2,0,0,0|1,0,1]=4 715 B14R2.9470 NC(=O)c1cc(co1)SCC2CC2 62a_100000756562_200009817131 [0,0,1,1,0,0|2,0,0]=4 716 B14R2.9470 NC(=O)c1cc(co1)SCC2CC2 62a_200009817131_100000742324 [0,0,1,1,0,0|2,0,0]=4 717 B14R2.9470 NC(=O)c1cc(no1)SCC2CC2 62a_100000756562_100010589868 [0,0,1,1,0,0|1,0,0]=3 718 B14R2.9470 NC(=O)c1cc(no1)SCC2CC2 62a_100010589868_100000742324 [0,0,1,1,0,0|1,0,0]=3 719 B14R2.9470 NC(=O)c1cc(no1)SCC2CO2 62a_100010589868_102125554688 [0,0,1,1,0,0|2,0,0]=4 720 B14R2.9470 NC(=O)c1cc(no1)SCC2CO2 62a_102125554688_100010589868 [0,0,1,1,0,0|2,0,0]=4 721 B14R2.9470 NC(=O)c1cc(no1)SCC2CS2 62a_100000031435_100010589868 [0,0,1,1,0,0|2,0,0]=4 722 B14R2.9470 NC(=O)c1cc(no1)SCC2CS2 62a_100010589868_100000031435 [0,0,1,1,0,0|2,0,0]=4 723 B14R2.9470 NC(=O)c1cc(no1)SC[C@@H]2CO2 62a_100000745022_100010589868 [0,0,1,1,0,0|2,0,0]=4 724 B14R2.9470 NC(=O)c1cc(no1)SC[C@@H]2CO2 62a_100010589868_100000745022 [0,0,1,1,0,0|2,0,0]=4 725 B14R2.9470 NC(=O)c1cn(nn1)CCC2CC2 274090a_100000764125_100011470575 [0,0,1,1,0,0|2,0,0]=4 726 B14R2.31826 NC(=O)C(=O)NN=C1CCC2C1C2 4a_100000211141_100000692480 [0,0,1,1,0,0|1,0,1]=4 727 B12R1.19 CC(C)Sc1c[nH]c(=O)c(c1)O 62a_100000210206_100009814561 [0,0,1,0,1,0|2,0,0]=4 728 B12R1.19 CC(C)Sc1cc(c(=O)[nH]n1)N 62a_100000210206_100000102183 [0,0,1,0,1,0|2,0,0]=4 729 B12R1.19 Cc1cc(n[nH]c1=O)SC(C)C 62a_100000210206_100012187101 [0,0,1,0,1,0|2,0,0]=4 730 B12R2.294 O=c1ccc(c[nH]1)OC2CC2 34a_100000075641_100000211595 [1,0,0,0,1,0|2,0,0]=4 731 B12R2.294 O=c1ccc(c[nH]1)SC2CC2 62a_100000212171_100000211595 [1,0,0,0,1,0|2,0,0]=4 732 B12R2.294 O=c1ccc(n[nH]1)SC2CC2 62a_100009820020_100000211595 [1,0,0,0,1,0|1,0,0]=3 733 B12R2.2298 Cc1cc(n[nH]1)SCC2CC2 62a_100000756562_100009819999 [1,0,0,0,1,0|2,0,0]=4 734 B12R2.2298 Cc1cc(n[nH]1)SCC2CC2 62a_100009819999_100000742324 [1,0,0,0,1,0|2,0,0]=4 735 B12R2.2298 Nc1cc(n[nH]1)SCC2CC2 62a_100000756562_100009822546 [1,0,0,0,1,0|2,0,0]=4 736 B12R2.2298 Nc1cc(n[nH]1)SCC2CC2 62a_100009822546_100000742324 [1,0,0,0,1,0|2,0,0]=4 737 B12R2.466 Brc1c[nH]nc1SCC2CC2 62a_100000756562_100015839836 [1,0,0,0,1,0|2,0,0]=4 738 B12R2.466 Brc1c[nH]nc1SCC2CC2 62a_100015839836_100000742324 [1,0,0,0,1,0|2,0,0]=4 739 B12R2.466 Cc1c[nH]nc1SCC2CC2 62a_100000756562_100009871783 [1,0,0,0,1,0|2,0,0]=4 740 B12R2.466 Cc1c[nH]nc1SCC2CC2 62a_100009871783_100000742324 [1,0,0,0,1,0|2,0,0]=4 741 B12R2.466 Nc1c[nH]nc1SCC2CC2 62a_100000756562_100010894806 [1,0,0,0,1,0|2,0,0]=4 742 B12R2.466 Nc1c[nH]nc1SCC2CC2 62a_100010894806_100000742324 [1,0,0,0,1,0|2,0,0]=4 743 B12R2.1286 Oc1ccnc(c1)OC2CC2 271570a_203496583355_100010191144 [1,0,0,0,1,0|2,0,0]=4 744 B12R2.291 Cc1cc(n[nH]c1=O)C2CC2 271570a_100011220607_100012187101 [0,0,0,0,2,0|1,0,0]=3 745 B12R2.291 Cc1cnc(cc1O)C2CC2 271570a_100011220607_100000704368 [0,0,0,0,2,0|2,0,0]=4 746 B12R2.291 Nc1cc(n[nH]c1=O)C2CC2 271570a_100011220607_100000102183 [0,0,0,0,2,0|1,0,0]=3 747 B12R2.291 O=c1[nH]cc(cc1Br)C2CC2 271570a_100011220607_100010125443 [0,0,0,0,2,0|2,0,0]=4 748 B12R2.291 O=c1[nH]cc(cc1F)C2CC2 271570a_100011220607_100000723523 [0,0,0,0,2,0|2,0,0]=4 749 B12R2.291 O=c1[nH]cc(cc1O)C2CC2 271570a_100011220607_100009814561 [0,0,0,0,2,0|1,0,0]=3 750 B12R2.291 Oc1cc(ncc1F)C2CC2 271570a_100011220607_100009854642 [0,0,0,0,2,0|2,0,0]=4 751 B14R2.951 Brc1ccc(nc1)CCOC2CC2 34a_100012357577_100000211595 [1,0,0,0,0,1|2,0,0]=4 752 B14R2.951 Brc1ccc(nc1)CNCC2CC2 207a_100000735609_100000754260 [1,0,0,0,0,1|2,0,0]=4 753 B14R2.951 Brc1ccc(nc1)CNCC2CC2 2230a_100000735609_100000702658 [1,0,0,0,0,1|2,0,0]=4 754 B14R2.951 Brc1ccc(nc1)CNCC2CC2 270004a_100000735609_100000754260 [1,0,0,0,0,1|2,0,0]=4 755 B14R2.951 Brc1ccc(nc1)CNCC2CC2 34a_100000735609_100000702658 [1,0,0,0,0,1|2,0,0]=4 756 B14R2.951 Brc1ccc(nc1)CNCC2CC2 34a_100015188789_100000742324 [1,0,0,0,0,1|2,0,0]=4 757 B14R2.951 Brc1ccc(nc1)COCC2CC2 34a_100000211283_100000702658 [1,0,0,0,0,1|2,0,0]=4 758 B14R2.951 Brc1ccc(nc1)COCC2CC2 34a_100000754261_100000742324 [1,0,0,0,0,1|2,0,0]=4 759 B14R2.951 Brc1ccc(nc1)CSCC2CC2 62a_100000702658_100000742324 [1,0,0,0,0,1|2,0,0]=4 760 B14R2.951 Brc1ccc(nc1)CSCC2CC2 62a_100000756562_100000702658 [1,0,0,0,0,1|2,0,0]=4 761 B14R2.951 Brc1ccc(nc1)NCCC2CC2 27a_100000764129_100000686858 [1,0,0,0,0,1|2,0,0]=4 762 B14R2.951 Brc1ccc(nc1)SCCC2CC2 62a_100000686858_100000764125 [1,0,0,0,0,1|2,0,0]=4 763 B14R2.951 Brc1ccc(nc1)SCCC2CC2 62a_100000764125_100000686858 [1,0,0,0,0,1|2,0,0]=4 764 B14R2.951 Cc1ccc(nc1)CNCC2CC2 207a_100000735609_100000050478 [1,0,0,0,0,1|2,0,0]=4 765 B14R2.951 Cc1ccc(nc1)CNCC2CC2 2230a_100000735609_100000691093 [1,0,0,0,0,1|2,0,0]=4 766 B14R2.951 Cc1ccc(nc1)CNCC2CC2 270004a_100000735609_100000050478 [1,0,0,0,0,1|2,0,0]=4 767 B14R2.951 Cc1ccc(nc1)CNCC2CC2 34a_100000735609_100000691093 [1,0,0,0,0,1|2,0,0]=4 768 B14R2.951 Cc1ccc(nc1)CNCC2CC2 34a_100015187455_100000742324 [1,0,0,0,0,1|2,0,0]=4 769 B14R2.951 Cc1ccc(nc1)COCC2CC2 34a_100000211283_100000691093 [1,0,0,0,0,1|2,0,0]=4 770 B14R2.951 Cc1ccc(nc1)COCC2CC2 34a_100012001401_100000742324 [1,0,0,0,0,1|2,0,0]=4 771 B14R2.951 Cc1ccc(nc1)CSCC2CC2 62a_100000691093_100000742324 [1,0,0,0,0,1|2,0,0]=4 772 B14R2.951 Cc1ccc(nc1)CSCC2CC2 62a_100000756562_100000691093 [1,0,0,0,0,1|2,0,0]=4 773 B14R2.951 Cc1ccc(nc1)OCCC2CC2 34a_100000759353_100000694398 [1,0,0,0,0,1|2,0,0]=4 774 B14R2.951 Cc1ccc(nc1)SCCC2CC2 62a_100000764125_100000754016 [1,0,0,0,0,1|2,0,0]=4 775 B14R2.951 Cc1ccc(nc1)SCCC2CC2 62a_100011192072_100000764125 [1,0,0,0,0,1|2,0,0]=4 776 B14R2.951 Cc1ccc(nn1)NCCC2CC2 27a_100000764129_100000744512 [1,0,0,0,0,1|1,0,1]=4 777 B14R2.951 Cc1ccc(nn1)SCCC2CC2 62a_100000744512_100000764125 [1,0,0,0,0,1|1,0,1]=4 778 B14R2.951 Cc1ccc(nn1)SCCC2CC2 62a_100000764125_100000744512 [1,0,0,0,0,1|1,0,1]=4 779 B14R2.951 Clc1ccc(nc1)CNCC2CC2 207a_100000735609_100011361569 [1,0,0,0,0,1|2,0,0]=4 780 B14R2.951 Clc1ccc(nc1)CNCC2CC2 2230a_100000735609_100012066911 [1,0,0,0,0,1|2,0,0]=4 781 B14R2.951 Clc1ccc(nc1)CNCC2CC2 269862a_100000697193_100000741477 [1,0,0,0,0,1|2,0,0]=4 782 B14R2.951 Clc1ccc(nc1)CNCC2CC2 270004a_100000735609_100011361569 [1,0,0,0,0,1|2,0,0]=4 783 B14R2.951 Clc1ccc(nc1)CNCC2CC2 34a_100000697193_100000742324 [1,0,0,0,0,1|2,0,0]=4 784 B14R2.951 Clc1ccc(nc1)CNCC2CC2 34a_100000735609_100012066911 [1,0,0,0,0,1|2,0,0]=4 785 B14R2.951 Clc1ccc(nc1)COCC2CC2 34a_100000211283_100012066911 [1,0,0,0,0,1|2,0,0]=4 786 B14R2.951 Clc1ccc(nc1)COCC2CC2 34a_100000703999_100000742324 [1,0,0,0,0,1|2,0,0]=4 787 B14R2.951 Clc1ccc(nc1)CSCC2CC2 62a_100000756562_100000697101 [1,0,0,0,0,1|2,0,0]=4 788 B14R2.951 Clc1ccc(nc1)CSCC2CC2 62a_100012066911_100000742324 [1,0,0,0,0,1|2,0,0]=4 789 B14R2.951 Clc1ccc(nc1)OCCC2CC2 34a_100011215309_100000694398 [1,0,0,0,0,1|2,0,0]=4 790 B14R2.951 Clc1ccc(nc1)SCCC2CC2 62a_100000764125_100011356976 [1,0,0,0,0,1|2,0,0]=4 791 B14R2.951 Clc1ccc(nc1)SCCC2CC2 62a_100011356976_100000764125 [1,0,0,0,0,1|2,0,0]=4 792 B14R2.951 Clc1ccc(nn1)CNCC2CC2 2230a_100000735609_100016992710 [1,0,0,0,0,1|1,0,1]=4 793 B14R2.951 Clc1ccc(nn1)CNCC2CC2 270004a_100000735609_100000044651 [1,0,0,0,0,1|1,0,1]=4 794 B14R2.951 Clc1ccc(nn1)CNCC2CC2 34a_100000735609_100016992710 [1,0,0,0,0,1|1,0,1]=4 795 B14R2.951 Clc1ccc(nn1)COCC2CC2 34a_100000211283_100016992710 [1,0,0,0,0,1|1,0,1]=4 796 B14R2.951 Clc1ccc(nn1)CSCC2CC2 62a_100000756562_100016992710 [1,0,0,0,0,1|1,0,1]=4 797 B14R2.951 Clc1ccc(nn1)CSCC2CC2 62a_100016992710_100000742324 [1,0,0,0,0,1|1,0,1]=4 798 B14R2.951 Clc1ccc(nn1)SCCC2CC2 62a_100000068654_100000764125 [1,0,0,0,0,1|1,0,1]=4 799 B14R2.951 Clc1ccc(nn1)SCCC2CC2 62a_100000764125_100000068654 [1,0,0,0,0,1|1,0,1]=4 800 B14R2.951 Fc1ccc(nc1)CNCC2CC2 207a_100000735609_100011934744 [1,0,0,0,0,1|2,0,0]=4 801 B14R2.951 Fc1ccc(nc1)CNCC2CC2 2230a_100000735609_100000703193 [1,0,0,0,0,1|2,0,0]=4 802 B14R2.951 Fc1ccc(nc1)CNCC2CC2 270004a_100000735609_100011934744 [1,0,0,0,0,1|2,0,0]=4 803 B14R2.951 Fc1ccc(nc1)CNCC2CC2 34a_100000735609_100000703193 [1,0,0,0,0,1|2,0,0]=4 804 B14R2.951 Fc1ccc(nc1)CNCC2CC2 34a_100020620131_100000742324 [1,0,0,0,0,1|2,0,0]=4 805 B14R2.951 Fc1ccc(nc1)COCC2CC2 34a_100000211283_100000703193 [1,0,0,0,0,1|2,0,0]=4 806 B14R2.951 Fc1ccc(nc1)COCC2CC2 34a_100011999454_100000742324 [1,0,0,0,0,1|2,0,0]=4 807 B14R2.951 Fc1ccc(nc1)CSCC2CC2 62a_100000703193_100000742324 [1,0,0,0,0,1|2,0,0]=4 808 B14R2.951 Fc1ccc(nc1)CSCC2CC2 62a_100000756562_100000703193 [1,0,0,0,0,1|2,0,0]=4 809 B14R2.951 Fc1ccc(nc1)OCCC2CC2 34a_100000742473_100000694398 [1,0,0,0,0,1|2,0,0]=4 810 B14R2.951 Fc1ccc(nc1)SCCC2CC2 62a_100000744514_100000764125 [1,0,0,0,0,1|2,0,0]=4 811 B14R2.951 Fc1ccc(nc1)SCCC2CC2 62a_100000764125_100000744514 [1,0,0,0,0,1|2,0,0]=4 812 B14R2.951 Nc1ccc(nc1)COCC2CC2 34a_100011998161_100000742324 [1,0,0,0,0,1|2,0,0]=4 813 B14R2.951 Nc1ccc(nc1)OCCC2CC2 34a_100000729260_100000694398 [1,0,0,0,0,1|2,0,0]=4 814 B14R2.951 Nc1ccc(nc1)SCCC2CC2 62a_100000737798_100000764125 [1,0,0,0,0,1|2,0,0]=4 815 B14R2.951 Nc1ccc(nc1)SCCC2CC2 62a_100000764125_100000737798 [1,0,0,0,0,1|2,0,0]=4 816 B14R2.951 Nc1ccc(nn1)SCCC2CC2 62a_100000764125_100010219413 [1,0,0,0,0,1|1,0,1]=4 817 B14R2.951 Nc1ccc(nn1)SCCC2CC2 62a_100010219413_100000764125 [1,0,0,0,0,1|1,0,1]=4 818 B14R2.951 O=c1ccc(c[nH]1)COCC2CC2 34a_100011999846_100000742324 [1,0,0,0,0,1|1,0,0]=3 819 B14R2.951 O=c1ccc(c[nH]1)COCC2CO2 34a_100011999846_102125554688 [1,0,0,0,0,1|2,0,0]=4 820 B14R2.951 O=c1ccc(c[nH]1)OCCC2CC2 34a_100000075641_100000694398 [1,0,0,0,0,1|1,0,0]=3 821 B14R2.951 O=c1ccc(c[nH]1)OCCC2CO2 34a_100000075641_100000732470 [1,0,0,0,0,1|2,0,0]=4 822 B14R2.951 O=c1ccc(c[nH]1)SCCC2CC2 62a_100000212171_100000764125 [1,0,0,0,0,1|1,0,0]=3 823 B14R2.951 O=c1ccc(c[nH]1)SCCC2CC2 62a_100000764125_100000212171 [1,0,0,0,0,1|1,0,0]=3 824 B14R2.951 O=c1ccc(c[nH]1)SCCC2CO2 62a_100000212171_100000732470 [1,0,0,0,0,1|2,0,0]=4 825 B14R2.951 O=c1ccc(c[nH]1)SCCC2CO2 62a_100000732470_100000212171 [1,0,0,0,0,1|2,0,0]=4 826 B14R2.951 O=c1ccc(n[nH]1)C=NNC2CC2 4a_100000701032_100011361533 [1,0,0,0,0,1|1,0,1]=4 827 B14R2.951 O=c1ccc(n[nH]1)CNCC2CC2 207a_100000735609_100011361533 [1,0,0,0,0,1|0,0,0]=2 828 B14R2.951 O=c1ccc(n[nH]1)CNCC2CC2 270004a_100000735609_100011361533 [1,0,0,0,0,1|0,0,0]=2 829 B14R2.951 O=c1ccc(n[nH]1)SCCC2CC2 62a_100000764125_100009820020 [1,0,0,0,0,1|0,0,0]=2 830 B14R2.951 O=c1ccc(n[nH]1)SCCC2CC2 62a_100009820020_100000764125 [1,0,0,0,0,1|0,0,0]=2 831 B14R2.951 O=c1ccc(n[nH]1)SCCC2CO2 62a_100000732470_100009820020 [1,0,0,0,0,1|1,0,0]=3 832 B14R2.951 O=c1ccc(n[nH]1)SCCC2CO2 62a_100009820020_100000732470 [1,0,0,0,0,1|1,0,0]=3 833 B14R2.951 O=c1ncc(c[nH]1)SCCC2CC2 62a_100000764125_102495366499 [1,0,0,0,0,1|2,0,0]=4 834 B14R2.951 O=c1ncc(c[nH]1)SCCC2CC2 62a_102495366499_100000764125 [1,0,0,0,0,1|2,0,0]=4 835 B14R2.951 Oc1ccc(nc1)SCCC2CC2 62a_100000685995_100000764125 [1,0,0,0,0,1|1,0,1]=4 836 B14R2.951 Oc1ccc(nc1)SCCC2CC2 62a_100000764125_100000744096 [1,0,0,0,0,1|1,0,1]=4 837 B14R2.10626 O=c1ccc(c[nH]1)COC2CCC2 34a_100011999846_100000749161 [1,0,0,0,0,1|2,0,0]=4 838 B14R2.10626 O=c1ccc(c[nH]1)COC2COC2 34a_100011999846_100009818527 [1,0,0,0,0,1|2,0,0]=4 839 B14R2.10626 O=c1ccc(c[nH]1)OCC2CCC2 34a_100000075641_100000763275 [1,0,0,0,0,1|2,0,0]=4 840 B14R2.10626 O=c1ccc(c[nH]1)OCC2CCO2 34a_100000075641_100000103362 [1,0,0,0,0,1|2,0,0]=4 841 B14R2.10626 O=c1ccc(c[nH]1)OCC2COC2 34a_100000075641_100010264016 [1,0,0,0,0,1|2,0,0]=4 842 B14R2.10626 O=c1ccc(c[nH]1)SCC2CCC2 62a_100000212171_100000763275 [1,0,0,0,0,1|2,0,0]=4 843 B14R2.10626 O=c1ccc(c[nH]1)SCC2CCC2 62a_100000763275_100000212171 [1,0,0,0,0,1|2,0,0]=4 844 B14R2.10626 O=c1ccc(c[nH]1)SCC2CCO2 62a_100000103362_100000212171 [1,0,0,0,0,1|2,0,0]=4 845 B14R2.10626 O=c1ccc(c[nH]1)SCC2CCO2 62a_100000212171_100000103362 [1,0,0,0,0,1|2,0,0]=4 846 B14R2.10626 O=c1ccc(c[nH]1)SCC2COC2 62a_100000212171_100010264016 [1,0,0,0,0,1|2,0,0]=4 847 B14R2.10626 O=c1ccc(c[nH]1)SCC2COC2 62a_100010264016_100000212171 [1,0,0,0,0,1|2,0,0]=4 848 B14R2.10626 O=c1ccc(n[nH]1)CNC2COC2 207a_100016991112_100011361533 [1,0,0,0,0,1|1,0,0]=3 849 B14R2.10626 O=c1ccc(n[nH]1)CNC2COC2 270004a_100016991112_100011361533 [1,0,0,0,0,1|1,0,0]=3 850 B14R2.10626 O=c1ccc(n[nH]1)CNC2CSC2 207a_100016994217_100011361533 [1,0,0,0,0,1|1,0,0]=3 851 B14R2.10626 O=c1ccc(n[nH]1)CNC2CSC2 270004a_100016994217_100011361533 [1,0,0,0,0,1|1,0,0]=3 852 B14R2.10626 O=c1ccc(n[nH]1)SCC2CCC2 62a_100000763275_100009820020 [1,0,0,0,0,1|1,0,0]=3 853 B14R2.10626 O=c1ccc(n[nH]1)SCC2CCC2 62a_100009820020_100000763275 [1,0,0,0,0,1|1,0,0]=3 854 B14R2.10626 O=c1ccc(n[nH]1)SCC2CCO2 62a_100000103362_100009820020 [1,0,0,0,0,1|1,0,0]=3 855 B14R2.10626 O=c1ccc(n[nH]1)SCC2CCO2 62a_100009820020_100000103362 [1,0,0,0,0,1|1,0,0]=3 856 B14R2.10626 O=c1ccc(n[nH]1)SCC2COC2 62a_100009820020_100010264016 [1,0,0,0,0,1|1,0,0]=3 857 B14R2.10626 O=c1ccc(n[nH]1)SCC2COC2 62a_100010264016_100009820020 [1,0,0,0,0,1|1,0,0]=3 858 B14R2.4475 Oc1ccnc(c1)SCC2CCC2 62a_100000763275_100000762945 [1,0,0,0,0,1|2,0,0]=4 859 B14R2.4475 Oc1ccnc(c1)SCC2CCO2 62a_100000103362_100000762945 [1,0,0,0,0,1|2,0,0]=4 860 B14R2.4475 Oc1ccnc(c1)SCC2COC2 62a_100010264016_100000762945 [1,0,0,0,0,1|2,0,0]=4 861 B14R2.4475 Oc1cnnc(c1)SCC2CCC2 62a_100000763275_200010734679 [1,0,0,0,0,1|1,0,1]=4 862 B14R2.4475 Oc1cnnc(c1)SCC2CCO2 62a_100000103362_200010734679 [1,0,0,0,0,1|1,0,1]=4 863 B14R2.4475 Oc1cnnc(c1)SCC2COC2 62a_100010264016_200010734679 [1,0,0,0,0,1|1,0,1]=4 864 B14R2.9061 Brc1ccnc(c1)CNCC2CC2 2230a_100000735609_100010173614 [1,0,0,0,0,1|2,0,0]=4 865 B14R2.9061 Brc1ccnc(c1)CNCC2CC2 270004a_100000735609_100009818557 [1,0,0,0,0,1|2,0,0]=4 866 B14R2.9061 Brc1ccnc(c1)CNCC2CC2 34a_100000735609_100010173614 [1,0,0,0,0,1|2,0,0]=4 867 B14R2.9061 Brc1ccnc(c1)COCC2CC2 34a_100000211283_100010173614 [1,0,0,0,0,1|2,0,0]=4 868 B14R2.9061 Brc1ccnc(c1)CSCC2CC2 62a_100000756562_100010173614 [1,0,0,0,0,1|2,0,0]=4 869 B14R2.9061 Brc1ccnc(c1)CSCC2CC2 62a_100010173614_100000742324 [1,0,0,0,0,1|2,0,0]=4 870 B14R2.9061 Cc1ccnc(c1)CNCC2CC2 207a_100000735609_100011361488 [1,0,0,0,0,1|2,0,0]=4 871 B14R2.9061 Cc1ccnc(c1)CNCC2CC2 2230a_100000735609_100000718516 [1,0,0,0,0,1|2,0,0]=4 872 B14R2.9061 Cc1ccnc(c1)CNCC2CC2 270004a_100000735609_100011361488 [1,0,0,0,0,1|2,0,0]=4 873 B14R2.9061 Cc1ccnc(c1)CNCC2CC2 34a_100000735609_100000718516 [1,0,0,0,0,1|2,0,0]=4 874 B14R2.9061 Cc1ccnc(c1)COCC2CC2 34a_100000211283_100000718516 [1,0,0,0,0,1|2,0,0]=4 875 B14R2.9061 Cc1ccnc(c1)COCC2CC2 34a_100011998357_100000742324 [1,0,0,0,0,1|2,0,0]=4 876 B14R2.9061 Cc1ccnc(c1)CSCC2CC2 62a_100000718516_100000742324 [1,0,0,0,0,1|2,0,0]=4 877 B14R2.9061 Cc1ccnc(c1)CSCC2CC2 62a_100000756562_100000718516 [1,0,0,0,0,1|2,0,0]=4 878 B14R2.9061 Cc1ccnc(c1)SCCC2CC2 62a_100000750283_100000764125 [1,0,0,0,0,1|2,0,0]=4 879 B14R2.9061 Cc1ccnc(c1)SCCC2CC2 62a_100000764125_100000750283 [1,0,0,0,0,1|2,0,0]=4 880 B14R2.9061 Cc1cnnc(c1)COCC2CC2 34a_100016212594_100000742324 [1,0,0,0,0,1|1,0,1]=4 881 B14R2.9061 Cc1cnnc(c1)NCCC2CC2 27a_100000764129_100000070100 [1,0,0,0,0,1|1,0,1]=4 882 B14R2.9061 Cc1cnnc(c1)OCCC2CC2 34a_100000766097_100000694398 [1,0,0,0,0,1|1,0,1]=4 883 B14R2.9061 Cc1cnnc(c1)SCCC2CC2 62a_100000070100_100000764125 [1,0,0,0,0,1|1,0,1]=4 884 B14R2.9061 Cc1cnnc(c1)SCCC2CC2 62a_100000764125_100000070100 [1,0,0,0,0,1|1,0,1]=4 885 B14R2.9061 Clc1ccnc(c1)CNCC2CC2 2230a_100000735609_100016988179 [1,0,0,0,0,1|2,0,0]=4 886 B14R2.9061 Clc1ccnc(c1)CNCC2CC2 270004a_100000735609_100011998288 [1,0,0,0,0,1|2,0,0]=4 887 B14R2.9061 Clc1ccnc(c1)CNCC2CC2 34a_100000735609_100016988179 [1,0,0,0,0,1|2,0,0]=4 888 B14R2.9061 Clc1ccnc(c1)COCC2CC2 34a_100000211283_100016988179 [1,0,0,0,0,1|2,0,0]=4 889 B14R2.9061 Clc1ccnc(c1)COCC2CC2 34a_100000748867_100000742324 [1,0,0,0,0,1|2,0,0]=4 890 B14R2.9061 Clc1ccnc(c1)CSCC2CC2 62a_100000756562_100016988179 [1,0,0,0,0,1|2,0,0]=4 891 B14R2.9061 Clc1ccnc(c1)CSCC2CC2 62a_100016988179_100000742324 [1,0,0,0,0,1|2,0,0]=4 892 B14R2.9061 Clc1ccnc(c1)SCCC2CC2 62a_100000764125_100010167805 [1,0,0,0,0,1|2,0,0]=4 893 B14R2.9061 Clc1ccnc(c1)SCCC2CC2 62a_100010167805_100000764125 [1,0,0,0,0,1|2,0,0]=4 894 B14R2.9061 Fc1ccnc(c1)NCCC2CC2 27a_100000764129_100000764206 [1,0,0,0,0,1|2,0,0]=4 895 B14R2.9061 Fc1ccnc(c1)SCCC2CC2 62a_100000764125_100000764206 [1,0,0,0,0,1|2,0,0]=4 896 B14R2.9061 Fc1ccnc(c1)SCCC2CC2 62a_100000764206_100000764125 [1,0,0,0,0,1|2,0,0]=4 897 B14R2.9061 Nc1ccnc(c1)COCC2CC2 34a_100000692640_100000742324 [1,0,0,0,0,1|2,0,0]=4 898 B14R2.9061 Nc1ccnc(c1)SCCC2CC2 62a_100000764125_100009814236 [1,0,0,0,0,1|2,0,0]=4 899 B14R2.9061 Nc1ccnc(c1)SCCC2CC2 62a_100009814236_100000764125 [1,0,0,0,0,1|2,0,0]=4 900 B14R2.9061 Nc1cnnc(c1)SCCC2CC2 62a_100000764125_100011996757 [1,0,0,0,0,1|1,0,1]=4 901 B14R2.9061 Nc1cnnc(c1)SCCC2CC2 62a_100011996757_100000764125 [1,0,0,0,0,1|1,0,1]=4 902 B14R2.9061 Oc1cc(ncn1)NCCC2CC2 27a_100000764129_100000765262 [1,0,0,0,0,1|2,0,0]=4 903 B14R2.9061 Oc1cc(ncn1)SCCC2CC2 62a_100000764125_100000765262 [1,0,0,0,0,1|2,0,0]=4 904 B14R2.9061 Oc1cccc(c1)CCNC2CC2 34a_100000747277_100000211595 [1,0,0,0,0,1|2,0,0]=4 905 B14R2.9061 Oc1cccc(c1)CNCC2CC2 207a_100000735609_100000188321 [1,0,0,0,0,1|2,0,0]=4 906 B14R2.9061 Oc1cccc(c1)CNCC2CC2 2230a_100000735609_100011660834 [1,0,0,0,0,1|2,0,0]=4 907 B14R2.9061 Oc1cccc(c1)CNCC2CC2 2230a_100000743036_100000742324 [1,0,0,0,0,1|2,0,0]=4 908 B14R2.9061 Oc1cccc(c1)CNCC2CC2 269862a_100000743036_100000741477 [1,0,0,0,0,1|2,0,0]=4 909 B14R2.9061 Oc1cccc(c1)CNCC2CC2 270004a_100000735609_100000188321 [1,0,0,0,0,1|2,0,0]=4 910 B14R2.9061 Oc1cccc(c1)CNCC2CC2 271570a_203496583355_100000712819 [1,0,0,0,0,1|2,0,0]=4 911 B14R2.9061 Oc1cccc(c1)CNCC2CC2 34a_100000735609_100011660834 [1,0,0,0,0,1|2,0,0]=4 912 B14R2.9061 Oc1cccc(c1)CNCC2CC2 34a_100000743036_100000742324 [1,0,0,0,0,1|2,0,0]=4 913 B14R2.9061 Oc1cccc(c1)COCC2CC2 34a_100000211283_100011660834 [1,0,0,0,0,1|2,0,0]=4 914 B14R2.9061 Oc1cccc(c1)CSCC2CC2 62a_100000756562_100011660834 [1,0,0,0,0,1|2,0,0]=4 915 B14R2.9061 Oc1cccc(c1)CSCC2CC2 62a_100011660834_100000742324 [1,0,0,0,0,1|2,0,0]=4 916 B14R2.9061 Oc1cccc(c1)NCCC2CC2 34a_100000210217_100000694398 [1,0,0,0,0,1|2,0,0]=4 917 B14R2.9061 Oc1cccc(c1)SCCC2CC2 62a_100000764125_100000211634 [1,0,0,0,0,1|2,0,0]=4 918 B14R2.9061 Oc1ccnc(c1)SCCC2CC2 62a_100000764125_100000762945 [1,0,0,0,0,1|1,0,0]=3 919 B14R2.9061 Oc1ccnc(c1)SCCC2CO2 62a_100000732470_100000762945 [1,0,0,0,0,1|2,0,0]=4 920 B14R2.9061 Oc1ccnc(n1)NCCC2CC2 27a_100000764129_100011649813 [1,0,0,0,0,1|2,0,0]=4 921 B14R2.9061 Oc1ccnc(n1)SCCC2CC2 62a_100000764125_100011649813 [1,0,0,0,0,1|2,0,0]=4 922 B14R2.9061 Oc1cncc(c1)CNCC2CC2 207a_100000735609_100012187055 [1,0,0,0,0,1|1,0,1]=4 923 B14R2.9061 Oc1cncc(c1)CNCC2CC2 270004a_100000735609_100012187055 [1,0,0,0,0,1|1,0,1]=4 924 B14R2.9061 Oc1cncc(c1)SCCC2CC2 62a_100000754920_100000764125 [1,0,0,0,0,1|1,0,1]=4 925 B14R2.9061 Oc1cncc(c1)SCCC2CC2 62a_100000764125_100000754920 [1,0,0,0,0,1|1,0,1]=4 926 B14R2.9061 Oc1cnnc(c1)SCCC2CC2 62a_100000764125_200010734679 [1,0,0,0,0,1|0,0,1]=3 927 B14R2.9061 Oc1cnnc(c1)SCCC2CO2 62a_100000732470_200010734679 [1,0,0,0,0,1|1,0,1]=4 928 B16R2.33220 Cc1cc(n[nH]c1=O)SCC#CC2CC2 62a_100009895102_100012187101 [0,0,0,0,0,2|1,0,1]=4 929 B16R2.33220 Cc1cc(n[nH]c1=O)SCCCC2CO2 62a_100000733510_100012187101 [0,0,0,0,0,2|2,0,0]=4 930 B16R2.33220 Nc1cc(n[nH]c1=O)SCC#CC2CC2 62a_100009895102_100000102183 [0,0,0,0,0,2|1,0,1]=4 931 B16R2.33220 Nc1cc(n[nH]c1=O)SCCCC2CO2 62a_100000733510_100000102183 [0,0,0,0,0,2|2,0,0]=4 932 B16R2.33220 O=c1[nH]cc(cc1Cl)CNCCC2CC2 207a_100000764129_100000051075 [0,0,0,0,0,2|2,0,0]=4 933 B16R2.33220 O=c1[nH]cc(cc1Cl)CNCCC2CC2 270004a_100000764129_100000051075 [0,0,0,0,0,2|2,0,0]=4 934 B16R2.33220 O=c1[nH]cc(cc1O)SCC#CC2CC2 62a_100009895102_100009814561 [0,0,0,0,0,2|1,0,1]=4 935 B16R2.33220 O=c1[nH]cc(cc1O)SCCCC2CO2 62a_100000733510_100009814561 [0,0,0,0,0,2|2,0,0]=4 936 B16R2.33231 O=c1[nH]cc(cc1Cl)CNCC2CCC2 207a_100000738700_100000051075 [0,0,0,0,0,2|2,0,0]=4 937 B16R2.33231 O=c1[nH]cc(cc1Cl)CNCC2CCC2 270004a_100000738700_100000051075 [0,0,0,0,0,2|2,0,0]=4 938 B16R2.33231 O=c1[nH]cc(cc1Cl)CNCC2COC2 207a_100015281925_100000051075 [0,0,0,0,0,2|2,0,0]=4 939 B16R2.33231 O=c1[nH]cc(cc1Cl)CNCC2COC2 270004a_100015281925_100000051075 [0,0,0,0,0,2|2,0,0]=4 940 B16R2.33231 O=c1[nH]cc(cc1Cl)CNC[C@@H]2CCO2 207a_100020831831_100000051075 [0,0,0,0,0,2|2,0,0]=4 941 B16R2.33231 O=c1[nH]cc(cc1Cl)CNC[C@@H]2CCO2 270004a_100020831831_100000051075 [0,0,0,0,0,2|2,0,0]=4 942 B16R2.1063 Cc1cc(n[nH]c1=O)SCC2CCCC2 62a_100000740388_100012187101 [0,0,0,0,0,2|2,0,0]=4 943 B16R2.1063 Cc1cc(n[nH]c1=O)SCC2CCCO2 62a_100000203698_100012187101 [0,0,0,0,0,2|2,0,0]=4 944 B16R2.1063 Cc1cc(n[nH]c1=O)SCC2CCOC2 62a_100000702531_100012187101 [0,0,0,0,0,2|2,0,0]=4 945 B16R2.1063 Cc1cc(n[nH]c1=O)SCC2OCCO2 62a_100000755774_100012187101 [0,0,0,0,0,2|2,0,0]=4 946 B16R2.1063 Nc1cc(n[nH]c1=O)SCC2CCCC2 62a_100000740388_100000102183 [0,0,0,0,0,2|2,0,0]=4 947 B16R2.1063 Nc1cc(n[nH]c1=O)SCC2CCCO2 62a_100000203698_100000102183 [0,0,0,0,0,2|2,0,0]=4 948 B16R2.1063 Nc1cc(n[nH]c1=O)SCC2CCOC2 62a_100000702531_100000102183 [0,0,0,0,0,2|2,0,0]=4 949 B16R2.1063 Nc1cc(n[nH]c1=O)SCC2OCCO2 62a_100000755774_100000102183 [0,0,0,0,0,2|2,0,0]=4 950 B16R2.1063 O=c1[nH]cc(cc1O)SCC2CCCC2 62a_100000740388_100009814561 [0,0,0,0,0,2|2,0,0]=4 951 B16R2.1063 O=c1[nH]cc(cc1O)SCC2CCCO2 62a_100000203698_100009814561 [0,0,0,0,0,2|2,0,0]=4 952 B16R2.1063 O=c1[nH]cc(cc1O)SCC2CCOC2 62a_100000702531_100009814561 [0,0,0,0,0,2|2,0,0]=4 953 B16R2.1063 O=c1[nH]cc(cc1O)SCC2OCCO2 62a_100000755774_100009814561 [0,0,0,0,0,2|2,0,0]=4