0 B12R1.652 C=Cc1c(ccc(c1F)F)CO 271570a_100011290941_100015087060 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.652 C=Cc1ccc(c(c1C=O)F)C 271570a_100011290941_100000039034 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.652 C=Cc1cnc(c(c1C=O)F)F 271570a_100011290941_100009829415 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.652 COc1ccc(c(c1C=O)O)F 271570a_203496583355_100021272739 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.652 CSc1ccc(c(c1C=O)F)C 62a_100000039034_200000210301 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.652 CSc1ccc(c(c1C=O)F)C 62a_200000210301_100000039034 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.652 CSc1cnc(c(c1C=O)F)F 62a_100009829415_200000210301 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.652 CSc1cnc(c(c1C=O)F)F 62a_200000210301_100009829415 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.652 Cc1ccc(c(c1F)C=O)S[13CH3] 62a_100000039034_200025704644 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.652 Cc1ccc(c(c1F)C=O)S[13CH3] 62a_200025704644_100000039034 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.652 [13CH3]Sc1cnc(c(c1C=O)F)F 62a_100009829415_200025704644 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.652 [13CH3]Sc1cnc(c(c1C=O)F)F 62a_200025704644_100009829415 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.37 C=Cc1cc(ccc1CO)Br 271570a_100011290941_100010146605 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.37 C=Cc1cc(ccc1CO)Cl 271570a_100011290941_100000722340 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.37 C=Cc1cc(ccc1CO)F 271570a_100011290941_100000744086 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.37 C=Cc1cc(ccc1CO)O 271570a_100011290941_100010146404 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.37 C=Cc1cc(ncc1CC)C 271570a_100011290941_100010291839 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.37 C=Cc1cc(ncc1OC)C 271570a_100011290941_100010109759 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.37 C=Cc1ccc(cc1C=O)C 271570a_100011290941_100011551863 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.37 C=Cc1nc(ccc1CO)C 271570a_100011290941_102495338573 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.37 C=Cc1nc(ncc1CC)C 271570a_100011290941_200000069817 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.37 CCc1cnc(cc1NC)C 27a_100102657272_100010291839 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.37 CCc1cnc(cc1SC)C 62a_100010291839_200000210301 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.37 CCc1cnc(cc1SC)C 62a_200000210301_100010291839 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.37 CCc1cnc(cc1S[13CH3])C 62a_100010291839_200025704644 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.37 CCc1cnc(cc1S[13CH3])C 62a_200025704644_100010291839 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.37 CNc1cc(ccc1CO)C 34a_100000087799_200000210301 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.37 COc1cc(ncc1CO)O 271570a_203496583355_100010714672 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.37 CSc1ccc(cc1C=O)C 62a_100011551863_200000210301 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.37 CSc1ccc(cc1C=O)C 62a_200000210301_100011551863 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.37 CSc1cnc(cc1C=O)O 62a_100010064890_200000210301 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.37 CSc1cnc(cc1C=O)O 62a_200000210301_100010064890 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.37 Cc1ccc(c(c1)C=O)S[13CH3] 62a_100011551863_200025704644 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.37 Cc1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100011551863 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.37 Cc1ccc(c(c1)N[13CH3])CO 34a_100000087799_200025704644 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.37 [13CH3]Sc1cnc(cc1C=O)O 62a_100010064890_200025704644 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.37 [13CH3]Sc1cnc(cc1C=O)O 62a_200025704644_100010064890 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.72 C=Cc1c(ccc(c1O)F)C 271570a_100011290941_200010223207 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.72 C=Cc1c(cnc(c1C)F)C 271570a_100011290941_100011016222 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.72 Cc1ccc(c(c1F)C=O)O 271570a_203496583355_100000039034 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.72 Cc1ccc(c(c1O)C=O)F 271570a_203496583355_100000033498 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.72 O=Cc1c(ccc(c1F)F)O 271570a_203496583355_100009814791 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.72 O=Cc1c(ccc(c1O)F)F 271570a_203496583355_100000034233 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.72 O=Cc1c(ccc(c1O)F)O 271570a_203496583355_100010762561 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.72 O=Cc1c(ccc(c1O)O)O 271570a_203496583355_100010184888 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.72 O=Cc1c(cnc(c1F)F)O 271570a_203496583355_100009829415 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.265 C=Cc1c(cccc1CO)Br 271570a_100011290941_100010146604 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.265 C=Cc1c(cccc1CO)C 271570a_100011290941_100011659289 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.265 C=Cc1c(cccc1CO)F 271570a_100011290941_100000692438 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.265 C=Cc1cccc(c1C=O)O 271570a_100011290941_100009814793 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.265 C=Cc1cncc(c1C=O)F 271570a_100011290941_100010064882 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.265 COc1c(cccc1CO)O 271570a_203496583355_100000704359 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.265 COc1cccc(c1C=O)O 271570a_203496583355_100009814803 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.265 CSc1cccc(c1C=O)O 62a_200000210301_100010193437 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.265 CSc1cncc(c1C=O)F 62a_100010064882_200000210301 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.265 CSc1cncc(c1C=O)F 62a_200000210301_100010064882 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.265 [13CH3]Sc1cccc(c1C=O)O 62a_200025704644_100010193437 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.265 [13CH3]Sc1cncc(c1C=O)F 62a_100010064882_200025704644 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.265 [13CH3]Sc1cncc(c1C=O)F 62a_200025704644_100010064882 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.278 Cc1cnc(c(c1O)C)CO 271570a_203496583355_100000094799 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.278 Cc1ncc(c(c1O)Cl)C#N 271570a_203496583355_100010269157 [1,0,0,0,0,0|2,0,1]=4 61 B13R1.1253 CCSc1ccc(c(c1C=O)F)C 62a_100000039034_100000210202 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.1253 CCSc1ccc(c(c1C=O)F)C 62a_100000210202_100000039034 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.1253 CCSc1cnc(c(c1C=O)F)F 62a_100000210202_100009829415 [0,1,0,0,0,0|3,0,0]=4 64 B13R1.1253 CCSc1cnc(c(c1C=O)F)F 62a_100009829415_100000210202 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.1253 Cc1ccc(c(c1F)C=O)SCF 62a_100000039034_100015361967 [0,1,0,0,0,0|3,0,0]=4 66 B13R1.1253 Cc1ccc(c(c1F)C=O)SCF 62a_100015361967_100000039034 [0,1,0,0,0,0|3,0,0]=4 67 B13R1.1253 O=Cc1c(cnc(c1F)F)SCF 62a_100009829415_100015361967 [0,1,0,0,0,0|3,0,0]=4 68 B13R1.1253 O=Cc1c(cnc(c1F)F)SCF 62a_100015361967_100009829415 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.2277 COc1c(ncc(c1CN)CO)C 34a_100000070454_200000210301 [0,1,0,0,0,0|1,0,1]=3 70 B13R1.2277 Cc1ncc(c(c1O[13CH3])CN)CO 34a_100000070454_200025704644 [0,1,0,0,0,0|1,0,1]=3 71 B13R1.2422 C=Cc1ccc(c(c1C=O)O)OC 271570a_100011290941_100009813834 [0,1,0,0,0,0|2,0,1]=4 72 B13R2.3790 Nc1ccc2c(c1O)C(=O)CC2 271570a_203496583355_100010218033 [0,0,0,1,0,0|3,0,0]=4 73 B13R2.3790 O=C1CCc2c1c(c(cc2)F)O 271570a_203496583355_200010133456 [0,0,0,1,0,0|3,0,0]=4 74 B10R1.20 C=Cc1ccccc1CO 271570a_100011290941_100000187465 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.20 C=Cc1ccncc1CC 271570a_100011290941_100025704421 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.20 C=Cc1ccncc1CO 271570a_100011290941_100000117392 [2,0,0,0,0,0|1,0,0]=3 77 B10R1.20 C=Cc1cnccc1C=O 271570a_100011290941_100011934409 [2,0,0,0,0,0|1,0,1]=4 78 B10R1.20 CNc1ccncc1CO 27a_100102657272_100000117392 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.20 CSc1ccncc1CO 62a_100000117392_200000210301 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.20 CSc1ccncc1CO 62a_200000210301_100000117392 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.20 CSc1cnccc1C=O 62a_100011934409_200000210301 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.20 CSc1cnccc1C=O 62a_200000210301_100011934409 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.20 [13CH3]Sc1ccncc1CO 62a_100000117392_200025704644 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.20 [13CH3]Sc1ccncc1CO 62a_200025704644_100000117392 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_100011934409_200025704644 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_200025704644_100011934409 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.25 CCc1cnc(cc1O)C 271570a_203496583355_100010291839 [2,0,0,0,0,0|1,0,1]=4 88 B10R1.25 Cc1cc(ncc1CO)O 271570a_203496583355_100010277336 [2,0,0,0,0,0|1,0,1]=4 89 B10R1.25 Nc1cc(ncc1CO)O 271570a_203496583355_100009830438 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.30 C=Cc1cc(ncc1C)Br 271570a_100011290941_100010067628 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.30 C=Cc1cc(ncc1C)C 271570a_100011290941_100009862788 [2,0,0,0,0,0|1,0,0]=3 94 B10R1.30 C=Cc1cc(ncc1C)Cl 271570a_100011290941_100010068021 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.30 C=Cc1cc(ncc1C)F 271570a_100011290941_100000049870 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.30 C=Cc1cc(ncc1C)N 271570a_100011290941_100009819938 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.30 C=Cc1cc(ncc1C)O 271570a_100011290941_100009831917 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.30 C=Cc1cc(ncc1F)C 271570a_100011290941_100009867690 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.30 C=Cc1cc(ncc1O)C 271570a_100011290941_100009843476 [2,0,0,0,0,0|1,0,0]=3 100 B10R1.30 C=Cc1cc(ncc1O)Cl 271570a_100011290941_100000698892 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.30 CSc1cc(ncc1C)C 62a_100009862788_200000210301 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.30 CSc1cc(ncc1C)C 62a_200000210301_100009862788 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.30 CSc1cc(ncc1O)C 62a_100009843476_200000210301 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.30 CSc1cc(ncc1O)C 62a_200000210301_100009843476 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.30 Cc1cc(c(cn1)C)S[13CH3] 62a_100009862788_200025704644 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.30 Cc1cc(c(cn1)C)S[13CH3] 62a_200025704644_100009862788 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.30 Cc1cc(c(cn1)O)CO 271570a_203496583355_100015579599 [2,0,0,0,0,0|0,0,2]=4 109 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_100009843476_200025704644 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_200025704644_100009843476 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [2,0,0,0,0,0|1,0,0]=3 112 B10R1.30 Cc1ccc(c(n1)C=O)O 271570a_203496583355_100010173661 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.30 Cc1cnc(c(c1)C=O)O 271570a_203496583355_100000050350 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.30 O=Cc1cc(ncc1F)O 271570a_203496583355_100000707870 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.2 C=Cc1ccnc(c1C)C 271570a_100011290941_100009846815 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.2 C=Cc1ccnc(c1Cl)C 271570a_100011290941_100000698670 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.2 C=Cc1ccnc(c1F)C 271570a_100011290941_100009849794 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.2 C=Cc1ccnc(c1N)C 271570a_100011290941_100009885578 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.2 Cc1c(cccc1CO)O 271570a_203496583355_100000694458 [2,0,0,0,0,0|1,0,1]=4 127 B10R1.2 Cc1c(ccnc1O)C=O 271570a_203496583355_100000096011 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.2 Nc1c(cccc1CO)O 271570a_203496583355_100012349457 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.2 Nc1c(cncc1CO)O 271570a_203496583355_200010988789 [2,0,0,0,0,0|1,0,0]=3 130 B10R1.2 O=Cc1cccc(c1O)F 271570a_203496583355_100011998484 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100000737635 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100009816417 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.2 O=Cc1ccnc(c1F)O 271570a_203496583355_100010064874 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.2 O=Cc1ccnc(c1O)F 271570a_203496583355_100009856171 [2,0,0,0,0,0|1,0,0]=3 135 B10R1.2 OCc1cccc(c1Br)O 271570a_203496583355_100010240205 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.2 OCc1cccc(c1F)O 271570a_203496583355_100011935076 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.119 Cc1ccc(c(c1O)C)O 271570a_203496583355_100010659238 [2,0,0,0,0,0|1,0,1]=4 138 B10R1.119 Cc1ncc(c(c1O)C)N 271570a_203496583355_100012352430 [2,0,0,0,0,0|1,0,1]=4 139 B10R1.245 C=Cc1c(cccc1O)C 271570a_100011290941_100000686692 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.245 C=Cc1c(cccc1O)O 271570a_100011290941_100010205330 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.245 C=Cc1c(cncc1C)C 271570a_100011290941_100009817138 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.245 Cc1cccc(c1C=O)O 271570a_203496583355_100000041122 [2,0,0,0,0,0|1,0,0]=3 143 B10R1.245 Cc1cncc(c1C#N)O 271570a_203496583355_200009887794 [2,0,0,0,0,0|1,0,1]=4 144 B10R1.245 Nc1cccc(c1C=O)O 271570a_203496583355_100010232536 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.245 O=Cc1c(cccc1Cl)O 271570a_203496583355_100010147682 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.245 O=Cc1c(cccc1F)O 271570a_203496583355_100000210083 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.245 O=Cc1c(cccc1O)O 271570a_203496583355_100009814793 [2,0,0,0,0,0|1,0,0]=3 148 B10R1.245 O=Cc1c(ccnc1O)O 271570a_203496583355_200010729673 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.245 O=Cc1c(cncc1F)O 271570a_203496583355_100010064882 [2,0,0,0,0,0|1,0,0]=3 150 B10R1.176 C=Cc1cnc(c(c1)O)C 271570a_100011290941_100009864810 [2,0,0,0,0,0|1,0,1]=4 151 B10R1.176 CSc1cnc(c(c1)O)C 62a_100009864810_200000210301 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.176 CSc1cnc(c(c1)O)C 62a_200000210301_100009864810 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.176 Cc1cc(cnc1O)CO 271570a_203496583355_200000092119 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [2,0,0,0,0,0|1,0,0]=3 155 B10R1.176 Cc1cnc(cc1O)CO 271570a_203496583355_100010113723 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.176 Cc1ncc(cc1O)S[13CH3] 62a_100009864810_200025704644 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.176 Cc1ncc(cc1O)S[13CH3] 62a_200025704644_100009864810 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.176 Nc1ncc(cc1O)CO 271570a_203496583355_100012343677 [2,0,0,0,0,0|1,0,0]=3 159 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.176 OCc1cnc(c(c1)F)O 271570a_203496583355_100010065243 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.176 OCc1cnc(c(c1)O)Cl 271570a_203496583355_200015217190 [2,0,0,0,0,0|1,0,0]=3 164 B12R1.46 C=C(C)c1cc(ncc1CC)C 271570a_100000694244_100010291839 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.78 C=Cc1cc(ccc1CO)CO 271570a_100011290941_100010881536 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.78 C=Cc1cc(ccc1CO)OC 271570a_100011290941_100011982768 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.78 C=Cc1cnc(cc1C=O)OC 271570a_100011290941_100010171658 [1,1,0,0,0,0|1,0,1]=4 168 B12R1.78 C=Cc1nc(ncc1CO)SC 271570a_100011290941_100009869927 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.78 COc1cc(c(cn1)SC)C=O 62a_100010171658_200000210301 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.78 COc1cc(c(cn1)SC)C=O 62a_200000210301_100010171658 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.78 COc1cc(c(cn1)S[13CH3])C=O 62a_100010171658_200025704644 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.78 COc1cc(c(cn1)S[13CH3])C=O 62a_200025704644_100010171658 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.78 COc1cc(ncc1CO)SC 62a_100010714672_200000210301 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.78 COc1cc(ncc1CO)SC 62a_200000210301_100010714672 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.78 COc1cc(ncc1CO)S[13CH3] 62a_100010714672_200025704644 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.78 COc1cc(ncc1CO)S[13CH3] 62a_200025704644_100010714672 [1,1,0,0,0,0|2,0,0]=4 177 B12R1.112 CCSc1ccc(cc1C=O)C 62a_100000210202_100011551863 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.112 CCSc1ccc(cc1C=O)C 62a_100011551863_100000210202 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.112 CCSc1cnc(cc1C=O)O 62a_100000210202_100010064890 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.112 CCSc1cnc(cc1C=O)O 62a_100010064890_100000210202 [1,1,0,0,0,0|2,0,0]=4 181 B12R1.112 COCc1ccc(cc1C=O)F 34a_100138415774_100010132769 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.112 Cc1ccc(c(c1)C=O)SCF 62a_100011551863_100015361967 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.112 Cc1ccc(c(c1)C=O)SCF 62a_100015361967_100011551863 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.112 O=Cc1cc(ncc1SCF)O 62a_100010064890_100015361967 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.112 O=Cc1cc(ncc1SCF)O 62a_100015361967_100010064890 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.234 C=Cc1cc(cc(c1CO)F)C 271570a_100011290941_100016175008 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.268 C=C=Cc1cc(ncc1CC)C 271570a_100015277604_100010291839 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.268 CC=Cc1cc(ncc1CC)C 271570a_100016259895_100010291839 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.448 C=Cc1cc(c(cc1CO)C)C 271570a_100011290941_100010184405 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.98 Cc1c(cc(c(c1F)C=O)O)F 271570a_203496583355_200021237120 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.654 C=Cc1c(cnc(c1C)CO)C 271570a_100011290941_100000094799 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.654 COc1ccc(c(c1F)C=O)O 271570a_203496583355_100010204294 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.654 COc1ccc(c(c1O)C=O)F 271570a_203496583355_200010245882 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.654 COc1ccc(c(c1O)C=O)O 271570a_203496583355_100009813834 [1,1,0,0,0,0|1,0,0]=3 195 B12R1.894 CC(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200000210301 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.894 CC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_200000210301 [1,1,0,0,0,0|1,0,0]=3 197 B12R1.894 CC(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200000210301 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.894 Cc1ccc(c(c1O)C(=O)[13CH3])C 1458a_100011255215_200025704644 [1,1,0,0,0,0|1,0,0]=3 199 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200025704644 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200025704644 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.87 O=Cc1c(cccc1B(O)O)O 271570a_203496583355_100009861587 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.542 CCSc1cccc(c1C=O)O 62a_100000210202_100010193437 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.542 CCSc1cncc(c1C=O)F 62a_100000210202_100010064882 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.542 CCSc1cncc(c1C=O)F 62a_100010064882_100000210202 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.542 O=Cc1c(cccc1SCF)O 62a_100015361967_100010193437 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.542 O=Cc1c(cncc1SCF)F 62a_100010064882_100015361967 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.542 O=Cc1c(cncc1SCF)F 62a_100015361967_100010064882 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.1879 C=Cc1c(cccc1OC)CO 271570a_100011290941_100010236476 [1,1,0,0,0,0|2,0,0]=4 209 B14R1.1360 COCSc1ccc(c(c1C=O)F)C 62a_100000039034_100000766300 [0,2,0,0,0,0|2,0,0]=4 210 B14R1.1360 COCSc1ccc(c(c1C=O)F)C 62a_100000766300_100000039034 [0,2,0,0,0,0|2,0,0]=4 211 B14R1.1360 COCSc1cnc(c(c1C=O)F)F 62a_100000766300_100009829415 [0,2,0,0,0,0|2,0,0]=4 212 B14R1.1360 COCSc1cnc(c(c1C=O)F)F 62a_100009829415_100000766300 [0,2,0,0,0,0|2,0,0]=4 213 B14R1.1360 Cc1ccc(c(c1F)C=O)SCCO 62a_100000039034_100000211926 [0,2,0,0,0,0|2,0,0]=4 214 B14R1.1360 Cc1ccc(c(c1F)C=O)SCCO 62a_100000211926_100000039034 [0,2,0,0,0,0|2,0,0]=4 215 B14R1.1360 O=Cc1c(cnc(c1F)F)SCCO 62a_100000211926_100009829415 [0,2,0,0,0,0|2,0,0]=4 216 B14R1.1360 O=Cc1c(cnc(c1F)F)SCCO 62a_100009829415_100000211926 [0,2,0,0,0,0|2,0,0]=4 217 B14R1.5133 COCc1c(cnc(c1OC)C)CO 34a_100000076142_200000210301 [0,2,0,0,0,0|0,0,2]=4 218 B14R1.5133 COCc1c(cnc(c1OC)C)CO 7a_100000076142_200000210301 [0,2,0,0,0,0|0,0,2]=4 219 B14R1.5133 COCc1c(cnc(c1O[13CH3])C)CO 34a_100000076142_200025704644 [0,2,0,0,0,0|0,0,2]=4 220 B14R1.5133 COCc1c(cnc(c1O[13CH3])C)CO 7a_100000076142_200025704644 [0,2,0,0,0,0|0,0,2]=4 221 B14R1.5134 CCOc1c(ncc(c1CN)CO)C 34a_100000070454_100000210202 [0,2,0,0,0,0|1,0,1]=4 222 B14R1.5134 Cc1ncc(c(c1OCF)CN)CO 34a_100000070454_100015361967 [0,2,0,0,0,0|1,0,1]=4 223 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [1,0,0,1,0,0|2,0,0]=4 224 B12R2.82 Cc1ncc2[nH]ccc2c1O 271570a_203496583355_100011015088 [1,0,0,1,0,0|2,0,0]=4 225 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [1,0,0,1,0,0|2,0,0]=4 226 B12R2.203 O=C1NCc2c1c(ccc2)O 271570a_203496583355_100000724024 [1,0,0,1,0,0|2,0,0]=4 227 B12R2.203 O=C1OCc2c1c(ccc2)O 271570a_203496583355_100010132333 [1,0,0,1,0,0|1,0,0]=3 228 B14R2.2495 COc1ccc2c(c1O)C(=O)CC2 271570a_203496583355_100010009199 [0,1,0,1,0,0|2,0,0]=4 229 B10R1.32 C=Cc1cn(nc1CO)C 271570a_100011290941_100009816719 [1,0,0,0,1,0|2,0,0]=4 230 B10R1.32 C=Cc1sc(nc1CO)C 271570a_100011290941_100011103066 [1,0,0,0,1,0|2,0,0]=4 231 B10R1.257 C=Cc1c(cnn1C)CO 271570a_100011290941_100011063722 [1,0,0,0,1,0|2,0,0]=4 232 B10R1.257 C=Cc1c(n[nH]c1CO)C 271570a_100011290941_100015664438 [1,0,0,0,1,0|2,0,0]=4 233 B10R1.256 Cc1c(c(nn1C)O)C=O 271570a_203496583355_100016123337 [1,0,0,0,1,0|2,0,0]=4 234 B10R1.34 Cc1nn(c(c1O)C)CO 271570a_203496583355_100009992181 [1,0,0,0,1,0|1,0,1]=4 235 B12R1.300 CSc1cc(c(c(c1)C=O)O)C 62a_200000210301_100000696164 [0,0,0,0,1,1|2,0,0]=4 236 B12R1.300 Cc1cc(cc(c1O)C=O)S[13CH3] 62a_200025704644_100000696164 [0,0,0,0,1,1|2,0,0]=4