0 B11R1.279 C#Cc1ccc(cc1Cl)NC 2230a_100012001888_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.279 C#Cc1ccc(cc1Cl)NC 34a_100012001888_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.279 C#Cc1ccc(cc1Cl)N[13CH3] 2230a_100012001888_200025704644 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.279 C#Cc1ccc(cc1Cl)N[13CH3] 34a_100012001888_200025704644 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.279 C#Cc1ccc(cc1F)NC 2230a_100012001886_200000210301 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.279 C#Cc1ccc(cc1F)NC 34a_100012001886_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.279 C#Cc1ccc(cc1F)N[13CH3] 2230a_100012001886_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.279 C#Cc1ccc(cc1F)N[13CH3] 34a_100012001886_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.279 C=Cc1cc(c(cn1)C=O)C 271570a_100011290941_100000085382 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.279 C=Cc1ccc(c(c1)Br)C=O 271570a_100011290941_100010185650 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.279 C=Cc1ccc(c(c1)C)C=O 271570a_100011290941_100000687586 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.279 C=Cc1ccc(c(c1)Cl)C=O 271570a_100011290941_100000727542 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.279 C=Cc1ccc(c(c1)F)C=O 271570a_100011290941_100000211676 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.279 C=Cc1ccc(c(c1)N)C=O 271570a_100011290941_100009814810 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.279 C=Cc1ccc(c(c1)O)C#N 271570a_100011290941_100011934713 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [0,0,0,0,0,0|1,0,1]=2 16 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [0,0,0,0,0,0|1,0,3]=4 17 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.279 C=Cc1ccc(c(n1)C)C=O 271570a_100011290941_100000050599 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.279 C=Cc1ccc(c(n1)F)C=O 271570a_100011290941_100010064369 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.279 C=Cc1ccc(cc1Br)C#N 271570a_100011290941_100012356348 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.279 C=Cc1ccc(cc1Br)CC 271570a_100011290941_200009997437 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.279 C=Cc1ccc(cc1Br)OC 271570a_100011290941_100012349170 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.279 C=Cc1ccc(cc1C)C#N 271570a_100011290941_100000212329 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.279 C=Cc1ccc(cc1C)C=O 271570a_100011290941_100000765772 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.279 C=Cc1ccc(cc1C)CN 271570a_100011290941_100015205234 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.279 C=Cc1ccc(cc1C)CO 271570a_100011290941_100000718852 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.279 C=Cc1ccc(cc1C)NC 271570a_100011290941_100102888905 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.279 C=Cc1ccc(cc1C)NN 271570a_100011290941_100000745493 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.279 C=Cc1ccc(cc1C)OC 271570a_100011290941_100000759875 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.279 C=Cc1ccc(cc1Cl)C#N 271570a_100011290941_100012349663 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.279 C=Cc1ccc(cc1Cl)CO 271570a_100011290941_100000718186 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.279 C=Cc1ccc(cc1F)C#N 271570a_100011290941_100011794375 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.279 C=Cc1ccc(cc1F)C=O 271570a_100011290941_100000686674 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.279 C=Cc1ccc(cc1F)CC 271570a_100011290941_200010339503 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.279 C=Cc1ccc(cc1F)CN 271570a_100011290941_100000755036 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.279 C=Cc1ccc(cc1F)CO 271570a_100011290941_100011533735 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.279 C=Cc1ccc(cc1F)NC 271570a_100011290941_100012285320 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.279 C=Cc1ccc(cc1F)NN 271570a_100011290941_100016992936 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.279 C=Cc1ccc(cc1F)OC 271570a_100011290941_100000753793 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.279 C=Cc1ccc(cc1F)SC 271570a_100011290941_100009816902 [0,0,0,0,0,0|2,1,0]=3 41 B11R1.279 C=Cc1ccc(cc1F)SC 62a_100011935271_200000210301 [0,0,0,0,0,0|2,1,0]=3 42 B11R1.279 C=Cc1ccc(cc1F)SC 62a_200000210301_100011935271 [0,0,0,0,0,0|2,1,0]=3 43 B11R1.279 C=Cc1ccc(cc1F)S[13CH3] 62a_100011935271_200025704644 [0,0,0,0,0,0|2,1,0]=3 44 B11R1.279 C=Cc1ccc(cc1F)S[13CH3] 62a_200025704644_100011935271 [0,0,0,0,0,0|2,1,0]=3 45 B11R1.279 C=Cc1ccc(cc1N)C#N 271570a_100011290941_100012001879 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.279 C=Cc1ccc(cc1N)CO 271570a_100011290941_100012347568 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.279 C=Cc1ccc(cc1N)OC 271570a_100011290941_100000748021 [0,0,0,0,0,0|2,0,0]=2 48 B11R1.279 C=Cc1ccc(cc1O)C#N 271570a_100011290941_100000724445 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.279 C=Cc1ccc(cc1O)C=O 271570a_100011290941_100000041418 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.279 C=Cc1ccc(cc1O)CO 271570a_100011290941_100000049605 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.279 C=Cc1ccc(cc1O)OC 271570a_100011290941_100000719091 [0,0,0,0,0,0|1,0,0]=1 52 B11R1.279 C=Cc1ccc(nc1C)OC 271570a_100011290941_100000766551 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.279 C=Cc1ccc(nc1F)OC 271570a_100011290941_100010067559 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.279 C=Cc1ccc(nc1N)OC 271570a_100011290941_100010187629 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.279 C=Cc1ccc(nc1O)C#N 271570a_100011290941_200011068624 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.279 C=Cc1cnc(c(c1)C)C=O 271570a_100011290941_100010185443 [0,0,0,0,0,0|3,0,1]=4 57 B11R1.279 C=Cc1cnc(c(c1)F)C=O 271570a_100011290941_100010180630 [0,0,0,0,0,0|3,0,1]=4 58 B11R1.279 C=Cc1cnc(cc1C)NC 271570a_100011290941_100012352278 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.279 C=Cc1cnc(cc1C)OC 271570a_100011290941_100011934368 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.279 C=Cc1cnc(cc1F)OC 271570a_100011290941_100010136277 [0,0,0,0,0,0|3,0,0]=3 61 B11R1.279 C=Cc1cnc(cc1N)OC 271570a_100011290941_100010254562 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.279 C=Cc1cnc(cc1O)C#N 271570a_100011290941_100016221821 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.279 C=Cc1cnc(cc1O)OC 271570a_100011290941_100010738159 [0,0,0,0,0,0|2,0,0]=2 64 B11R1.279 C=Cc1cnc(nc1C)OC 271570a_100011290941_100010152497 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.279 C=Cc1cnc(nc1N)OC 271570a_100011290941_100010218985 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.279 C=Cc1cnc(nc1O)SC 271570a_100011290941_100010221251 [0,0,0,0,0,0|3,1,0]=4 67 B11R1.279 C=Cc1ncc(cc1C)OC 271570a_100011290941_200009851512 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.279 C=Cc1ncc(cc1C)SC 271570a_100011290941_203440288091 [0,0,0,0,0,0|3,1,0]=4 69 B11R1.279 C=Cc1ncc(cc1F)SC 271570a_100011290941_100010884644 [0,0,0,0,0,0|3,1,0]=4 70 B11R1.279 C=Cc1ncc(cc1N)OC 271570a_100011290941_100010074831 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.279 C=Cc1ncc(nc1C)OC 271570a_100011290941_200010730098 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.279 C=Cc1ncc(nc1N)OC 271570a_100011290941_100009955223 [0,0,0,0,0,0|4,0,0]=4 73 B11R1.279 CCc1ccc(c(c1)Br)NC 2230a_100012339725_200000210301 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.279 CCc1ccc(c(c1)Br)NC 34a_100012339725_200000210301 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.279 CCc1ccc(c(c1)Br)N[13CH3] 2230a_100012339725_200025704644 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.279 CCc1ccc(c(c1)Br)N[13CH3] 34a_100012339725_200025704644 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.279 CCc1ccc(c(c1)Br)OC 34a_100012339963_200000210301 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.279 CCc1ccc(c(c1)Br)OC 7a_100012339963_200000210301 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 34a_100012339963_200025704644 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 7a_100012339963_200025704644 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.279 CCc1ccc(c(c1)Br)SC 62a_200000210301_200009997437 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.279 CCc1ccc(c(c1)Br)SC 62a_200009997437_200000210301 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.279 CCc1ccc(c(c1)Br)S[13CH3] 62a_200009997437_200025704644 [0,0,0,0,0,0|4,0,0]=4 84 B11R1.279 CCc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_200009997437 [0,0,0,0,0,0|4,0,0]=4 85 B11R1.279 CCc1ccc(c(c1)C)NC 2230a_100011226020_200000210301 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.279 CCc1ccc(c(c1)C)NC 34a_100011226020_200000210301 [0,0,0,0,0,0|4,0,0]=4 87 B11R1.279 CCc1ccc(c(c1)C)NC 7a_100011226020_200000210301 [0,0,0,0,0,0|4,0,0]=4 88 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 2230a_100011226020_200025704644 [0,0,0,0,0,0|4,0,0]=4 89 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 34a_100011226020_200025704644 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 7a_100011226020_200025704644 [0,0,0,0,0,0|4,0,0]=4 91 B11R1.279 CCc1ccc(c(c1)F)NC 2230a_100016177294_200000210301 [0,0,0,0,0,0|4,0,0]=4 92 B11R1.279 CCc1ccc(c(c1)F)NC 34a_100016177294_200000210301 [0,0,0,0,0,0|4,0,0]=4 93 B11R1.279 CCc1ccc(c(c1)F)N[13CH3] 2230a_100016177294_200025704644 [0,0,0,0,0,0|4,0,0]=4 94 B11R1.279 CCc1ccc(c(c1)F)N[13CH3] 34a_100016177294_200025704644 [0,0,0,0,0,0|4,0,0]=4 95 B11R1.279 CCc1ccc(c(c1)F)SC 62a_200000210301_200010339503 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.279 CCc1ccc(c(c1)F)SC 62a_200010339503_200000210301 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.279 CCc1ccc(c(c1)F)S[13CH3] 62a_200010339503_200025704644 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.279 CCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_200010339503 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.279 CCc1ccc(c(c1)N)OC 34a_100000765835_200000210301 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.279 CCc1ccc(c(c1)N)OC 7a_100000765835_200000210301 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 34a_100000765835_200025704644 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 7a_100000765835_200025704644 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.279 CCc1ccc(c(c1)O)C#N 271570a_203496583355_100010295696 [0,0,0,0,0,0|2,0,1]=3 104 B11R1.279 CCc1ccc(c(c1)O)NC 34a_100000124328_200000210301 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.279 CCc1ccc(c(c1)O)N[13CH3] 34a_100000124328_200025704644 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [0,0,0,0,0,0|3,0,0]=3 107 B11R1.279 CCc1ccc(c(n1)O)C#N 271570a_203496583355_200009874664 [0,0,0,0,0,0|3,0,1]=4 108 B11R1.279 CCc1ccc(cc1Cl)NC 2230a_100000766362_200000210301 [0,0,0,0,0,0|3,0,1]=4 109 B11R1.279 CCc1ccc(cc1Cl)NC 34a_100000766362_200000210301 [0,0,0,0,0,0|3,0,1]=4 110 B11R1.279 CCc1ccc(cc1Cl)NC 7a_100000766362_200000210301 [0,0,0,0,0,0|3,0,1]=4 111 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 2230a_100000766362_200025704644 [0,0,0,0,0,0|3,0,1]=4 112 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 34a_100000766362_200025704644 [0,0,0,0,0,0|3,0,1]=4 113 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 7a_100000766362_200025704644 [0,0,0,0,0,0|3,0,1]=4 114 B11R1.279 CCc1ccc(cc1Cl)OC 34a_100009886192_200000210301 [0,0,0,0,0,0|2,0,1]=3 115 B11R1.279 CCc1ccc(cc1Cl)OC 7a_100009886192_200000210301 [0,0,0,0,0,0|2,0,1]=3 116 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 34a_100009886192_200025704644 [0,0,0,0,0,0|2,0,1]=3 117 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 7a_100009886192_200025704644 [0,0,0,0,0,0|2,0,1]=3 118 B11R1.279 CCc1ccc(cc1F)SC 62a_200000210301_200010071577 [0,0,0,0,0,0|2,1,1]=4 119 B11R1.279 CCc1ccc(cc1F)SC 62a_200010071577_200000210301 [0,0,0,0,0,0|2,1,1]=4 120 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200010071577_200025704644 [0,0,0,0,0,0|2,1,1]=4 121 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200025704644_200010071577 [0,0,0,0,0,0|2,1,1]=4 122 B11R1.279 CCc1ccc(cc1N)SC 62a_100012354963_200000210301 [0,0,0,0,0,0|2,1,1]=4 123 B11R1.279 CCc1ccc(cc1N)SC 62a_200000210301_100012354963 [0,0,0,0,0,0|2,1,1]=4 124 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_100012354963_200025704644 [0,0,0,0,0,0|2,1,1]=4 125 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_200025704644_100012354963 [0,0,0,0,0,0|2,1,1]=4 126 B11R1.279 CNc1ccc(c(c1)Br)C#N 27a_100102657272_100012349582 [0,0,0,0,0,0|3,0,1]=4 127 B11R1.279 CNc1ccc(c(c1)Br)C#N 34a_100000689153_200000210301 [0,0,0,0,0,0|3,0,1]=4 128 B11R1.279 CNc1ccc(c(c1)Br)C#N 7a_100000689153_200000210301 [0,0,0,0,0,0|3,0,1]=4 129 B11R1.279 CNc1ccc(c(c1)Br)OC 34a_100000187427_200000210301 [0,0,0,0,0,0|4,0,0]=4 130 B11R1.279 CNc1ccc(c(c1)C)C#N 34a_100011999795_200000210301 [0,0,0,0,0,0|3,0,1]=4 131 B11R1.279 CNc1ccc(c(c1)C)C#N 7a_100011999795_200000210301 [0,0,0,0,0,0|3,0,1]=4 132 B11R1.279 CNc1ccc(c(c1)C)CO 34a_100000102464_200000210301 [0,0,0,0,0,0|2,0,2]=4 133 B11R1.279 CNc1ccc(c(c1)C)OC 2230a_100000743268_200000210301 [0,0,0,0,0,0|4,0,0]=4 134 B11R1.279 CNc1ccc(c(c1)C)OC 34a_100000743268_200000210301 [0,0,0,0,0,0|4,0,0]=4 135 B11R1.279 CNc1ccc(c(c1)C)OC 7a_100000743268_200000210301 [0,0,0,0,0,0|4,0,0]=4 136 B11R1.279 CNc1ccc(c(c1)C)SC 62a_100102888905_200000210301 [0,0,0,0,0,0|4,0,0]=4 137 B11R1.279 CNc1ccc(c(c1)C)SC 62a_200000210301_100102888905 [0,0,0,0,0,0|4,0,0]=4 138 B11R1.279 CNc1ccc(c(c1)C)S[13CH3] 62a_100102888905_200025704644 [0,0,0,0,0,0|4,0,0]=4 139 B11R1.279 CNc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100102888905 [0,0,0,0,0,0|4,0,0]=4 140 B11R1.279 CNc1ccc(c(c1)Cl)C#N 34a_100000211542_200000210301 [0,0,0,0,0,0|3,0,1]=4 141 B11R1.279 CNc1ccc(c(c1)Cl)C#N 7a_100000211542_200000210301 [0,0,0,0,0,0|3,0,1]=4 142 B11R1.279 CNc1ccc(c(c1)Cl)CO 34a_100000689119_200000210301 [0,0,0,0,0,0|2,0,2]=4 143 B11R1.279 CNc1ccc(c(c1)Cl)OC 2230a_100000211044_200000210301 [0,0,0,0,0,0|4,0,0]=4 144 B11R1.279 CNc1ccc(c(c1)Cl)OC 34a_100000211044_200000210301 [0,0,0,0,0,0|4,0,0]=4 145 B11R1.279 CNc1ccc(c(c1)F)C#N 27a_100102657272_100000037869 [0,0,0,0,0,0|3,0,1]=4 146 B11R1.279 CNc1ccc(c(c1)F)C#N 34a_100000765089_200000210301 [0,0,0,0,0,0|3,0,1]=4 147 B11R1.279 CNc1ccc(c(c1)F)C#N 7a_100000765089_200000210301 [0,0,0,0,0,0|3,0,1]=4 148 B11R1.279 CNc1ccc(c(c1)F)OC 2230a_100000740183_200000210301 [0,0,0,0,0,0|4,0,0]=4 149 B11R1.279 CNc1ccc(c(c1)F)OC 34a_100000740183_200000210301 [0,0,0,0,0,0|4,0,0]=4 150 B11R1.279 CNc1ccc(c(c1)F)SC 2230a_100000762756_200000210301 [0,0,0,0,0,0|4,0,0]=4 151 B11R1.279 CNc1ccc(c(c1)F)SC 34a_100000762756_200000210301 [0,0,0,0,0,0|4,0,0]=4 152 B11R1.279 CNc1ccc(c(c1)F)SC 62a_100012285320_200000210301 [0,0,0,0,0,0|4,0,0]=4 153 B11R1.279 CNc1ccc(c(c1)F)SC 62a_200000210301_100012285320 [0,0,0,0,0,0|4,0,0]=4 154 B11R1.279 CNc1ccc(c(c1)F)S[13CH3] 62a_100012285320_200025704644 [0,0,0,0,0,0|4,0,0]=4 155 B11R1.279 CNc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100012285320 [0,0,0,0,0,0|4,0,0]=4 156 B11R1.279 CNc1ccc(c(c1)I)OC 34a_100011356947_200000210301 [0,0,0,0,0,0|4,0,0]=4 157 B11R1.279 CNc1ccc(c(c1)O)C#N 34a_100000094571_200000210301 [0,0,0,0,0,0|2,0,1]=3 158 B11R1.279 CNc1ccc(c(c1)O)C#N 7a_100000094571_200000210301 [0,0,0,0,0,0|2,0,1]=3 159 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [0,0,0,0,0,0|3,0,0]=3 160 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [0,0,0,0,0,0|3,0,0]=3 161 B11R1.279 CNc1ccc(c(n1)F)C=O 27a_100102657272_100010064369 [0,0,0,0,0,0|3,0,0]=3 162 B11R1.279 CNc1ccc(cc1Br)OC 34a_100015195136_200000210301 [0,0,0,0,0,0|3,0,0]=3 163 B11R1.279 CNc1ccc(cc1C)OC 34a_100000750285_200000210301 [0,0,0,0,0,0|3,0,0]=3 164 B11R1.279 CNc1ccc(cc1C)OC 34a_100161107805_200000210301 [0,0,0,0,0,0|3,0,0]=3 165 B11R1.279 CNc1ccc(cc1C)OC 7a_100161107805_200000210301 [0,0,0,0,0,0|3,0,0]=3 166 B11R1.279 CNc1ccc(cc1C)O[13CH3] 34a_100161107805_200025704644 [0,0,0,0,0,0|3,0,0]=3 167 B11R1.279 CNc1ccc(cc1C)O[13CH3] 7a_100161107805_200025704644 [0,0,0,0,0,0|3,0,0]=3 168 B11R1.279 CNc1ccc(cc1C)SC 62a_100000221803_200000210301 [0,0,0,0,0,0|3,1,0]=4 169 B11R1.279 CNc1ccc(cc1C)SC 62a_200000210301_100000221803 [0,0,0,0,0,0|3,1,0]=4 170 B11R1.279 CNc1ccc(cc1C)S[13CH3] 62a_100000221803_200025704644 [0,0,0,0,0,0|3,1,0]=4 171 B11R1.279 CNc1ccc(cc1C)S[13CH3] 62a_200025704644_100000221803 [0,0,0,0,0,0|3,1,0]=4 172 B11R1.279 CNc1ccc(cc1Cl)OC 34a_100000747055_200000210301 [0,0,0,0,0,0|3,0,0]=3 173 B11R1.279 CNc1ccc(cc1F)OC 34a_100011299463_200000210301 [0,0,0,0,0,0|3,0,0]=3 174 B11R1.279 CNc1ccc(cc1F)SC 34a_100012056844_200000210301 [0,0,0,0,0,0|3,1,0]=4 175 B11R1.279 CNc1ccc(cc1F)SC 62a_100000743884_200000210301 [0,0,0,0,0,0|3,1,0]=4 176 B11R1.279 CNc1ccc(cc1F)SC 62a_200000210301_100000743884 [0,0,0,0,0,0|3,1,0]=4 177 B11R1.279 CNc1ccc(cc1F)S[13CH3] 62a_100000743884_200025704644 [0,0,0,0,0,0|3,1,0]=4 178 B11R1.279 CNc1ccc(cc1F)S[13CH3] 62a_200025704644_100000743884 [0,0,0,0,0,0|3,1,0]=4 179 B11R1.279 CNc1ccc(cc1I)OC 34a_100000049804_200000210301 [0,0,0,0,0,0|3,0,0]=3 180 B11R1.279 CNc1ccc(cc1N)SC 62a_100000741790_200000210301 [0,0,0,0,0,0|3,1,0]=4 181 B11R1.279 CNc1ccc(cc1N)S[13CH3] 62a_100000741790_200025704644 [0,0,0,0,0,0|3,1,0]=4 182 B11R1.279 CNc1ccc(cc1O)C#N 271570a_203496583355_200020994358 [0,0,0,0,0,0|4,0,0]=4 183 B11R1.279 CNc1ccc(cc1O)C#N 34a_100011997735_200000210301 [0,0,0,0,0,0|4,0,0]=4 184 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [0,0,0,0,0,0|4,0,0]=4 185 B11R1.279 CNc1ccc(cc1O)OC 34a_100016989039_200000210301 [0,0,0,0,0,0|2,0,0]=2 186 B11R1.279 COc1cc(c(cn1)C#N)O 271570a_203496583355_100000696732 [0,0,0,0,0,0|2,0,1]=3 187 B11R1.279 COc1cc(c(cn1)SC)C 62a_100011934368_200000210301 [0,0,0,0,0,0|4,0,0]=4 188 B11R1.279 COc1cc(c(cn1)SC)C 62a_200000210301_100011934368 [0,0,0,0,0,0|4,0,0]=4 189 B11R1.279 COc1cc(c(cn1)SC)F 62a_100010136277_200000210301 [0,0,0,0,0,0|4,0,0]=4 190 B11R1.279 COc1cc(c(cn1)SC)F 62a_200000210301_100010136277 [0,0,0,0,0,0|4,0,0]=4 191 B11R1.279 COc1cc(c(cn1)SC)N 62a_100010254562_200000210301 [0,0,0,0,0,0|4,0,0]=4 192 B11R1.279 COc1cc(c(cn1)SC)N 62a_200000210301_100010254562 [0,0,0,0,0,0|4,0,0]=4 193 B11R1.279 COc1cc(c(cn1)SC)O 62a_100010738159_200000210301 [0,0,0,0,0,0|3,0,0]=3 194 B11R1.279 COc1cc(c(cn1)SC)O 62a_200000210301_100010738159 [0,0,0,0,0,0|3,0,0]=3 195 B11R1.279 COc1cc(c(cn1)S[13CH3])C 62a_100011934368_200025704644 [0,0,0,0,0,0|4,0,0]=4 196 B11R1.279 COc1cc(c(cn1)S[13CH3])C 62a_200025704644_100011934368 [0,0,0,0,0,0|4,0,0]=4 197 B11R1.279 COc1cc(c(cn1)S[13CH3])F 62a_100010136277_200025704644 [0,0,0,0,0,0|4,0,0]=4 198 B11R1.279 COc1cc(c(cn1)S[13CH3])F 62a_200025704644_100010136277 [0,0,0,0,0,0|4,0,0]=4 199 B11R1.279 COc1cc(c(cn1)S[13CH3])N 62a_100010254562_200025704644 [0,0,0,0,0,0|4,0,0]=4 200 B11R1.279 COc1cc(c(cn1)S[13CH3])N 62a_200025704644_100010254562 [0,0,0,0,0,0|4,0,0]=4 201 B11R1.279 COc1cc(c(cn1)S[13CH3])O 62a_100010738159_200025704644 [0,0,0,0,0,0|3,0,0]=3 202 B11R1.279 COc1cc(c(cn1)S[13CH3])O 62a_200025704644_100010738159 [0,0,0,0,0,0|3,0,0]=3 203 B11R1.279 COc1ccc(c(c1)Br)C#N 34a_100012184851_200000210301 [0,0,0,0,0,0|2,0,1]=3 204 B11R1.279 COc1ccc(c(c1)Br)C#N 7a_100012184851_200000210301 [0,0,0,0,0,0|2,0,1]=3 205 B11R1.279 COc1ccc(c(c1)Br)CO 34a_100010146404_200000210301 [0,0,0,0,0,0|1,0,2]=3 206 B11R1.279 COc1ccc(c(c1)Br)CO 7a_100010146404_200000210301 [0,0,0,0,0,0|1,0,2]=3 207 B11R1.279 COc1ccc(c(c1)Br)N[13CH3] 34a_100015195136_200025704644 [0,0,0,0,0,0|3,0,0]=3 208 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100000685887_200000210301 [0,0,0,0,0,0|3,0,0]=3 209 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100010234764_200000210301 [0,0,0,0,0,0|3,0,0]=3 210 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100000685887_200000210301 [0,0,0,0,0,0|3,0,0]=3 211 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100010234764_200000210301 [0,0,0,0,0,0|3,0,0]=3 212 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 34a_100000685887_200025704644 [0,0,0,0,0,0|3,0,0]=3 213 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 7a_100000685887_200025704644 [0,0,0,0,0,0|3,0,0]=3 214 B11R1.279 COc1ccc(c(c1)Br)SC 62a_100012349170_200000210301 [0,0,0,0,0,0|3,0,0]=3 215 B11R1.279 COc1ccc(c(c1)Br)SC 62a_200000210301_100012349170 [0,0,0,0,0,0|3,0,0]=3 216 B11R1.279 COc1ccc(c(c1)Br)S[13CH3] 62a_100012349170_200025704644 [0,0,0,0,0,0|3,0,0]=3 217 B11R1.279 COc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100012349170 [0,0,0,0,0,0|3,0,0]=3 218 B11R1.279 COc1ccc(c(c1)C)C#N 34a_100000720286_200000210301 [0,0,0,0,0,0|2,0,1]=3 219 B11R1.279 COc1ccc(c(c1)C)C#N 7a_100000720286_200000210301 [0,0,0,0,0,0|2,0,1]=3 220 B11R1.279 COc1ccc(c(c1)C)N[13CH3] 34a_100000750285_200025704644 [0,0,0,0,0,0|3,0,0]=3 221 B11R1.279 COc1ccc(c(c1)C)OC 34a_100000759738_200000210301 [0,0,0,0,0,0|3,0,0]=3 222 B11R1.279 COc1ccc(c(c1)C)OC 34a_100012002223_200000210301 [0,0,0,0,0,0|3,0,0]=3 223 B11R1.279 COc1ccc(c(c1)C)OC 7a_100000759738_200000210301 [0,0,0,0,0,0|3,0,0]=3 224 B11R1.279 COc1ccc(c(c1)C)OC 7a_100012002223_200000210301 [0,0,0,0,0,0|3,0,0]=3 225 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 34a_100012002223_200025704644 [0,0,0,0,0,0|3,0,0]=3 226 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 7a_100012002223_200025704644 [0,0,0,0,0,0|3,0,0]=3 227 B11R1.279 COc1ccc(c(c1)C)SC 34a_100000030144_200000210301 [0,0,0,0,0,0|3,0,0]=3 228 B11R1.279 COc1ccc(c(c1)C)SC 62a_100000759875_200000210301 [0,0,0,0,0,0|3,0,0]=3 229 B11R1.279 COc1ccc(c(c1)C)SC 62a_200000210301_100000759875 [0,0,0,0,0,0|3,0,0]=3 230 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_100000759875_200025704644 [0,0,0,0,0,0|3,0,0]=3 231 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000759875 [0,0,0,0,0,0|3,0,0]=3 232 B11R1.279 COc1ccc(c(c1)Cl)C#N 34a_100000716493_200000210301 [0,0,0,0,0,0|2,0,1]=3 233 B11R1.279 COc1ccc(c(c1)Cl)C#N 7a_100000716493_200000210301 [0,0,0,0,0,0|2,0,1]=3 234 B11R1.279 COc1ccc(c(c1)Cl)CN 34a_200161156549_200000210301 [0,0,0,0,0,0|2,0,1]=3 235 B11R1.279 COc1ccc(c(c1)Cl)CO 34a_200000075811_200000210301 [0,0,0,0,0,0|1,0,2]=3 236 B11R1.279 COc1ccc(c(c1)Cl)CO 7a_200000075811_200000210301 [0,0,0,0,0,0|1,0,2]=3 237 B11R1.279 COc1ccc(c(c1)Cl)N[13CH3] 34a_100000747055_200025704644 [0,0,0,0,0,0|3,0,0]=3 238 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_100000038596_200000210301 [0,0,0,0,0,0|3,0,0]=3 239 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_200009861682_200000210301 [0,0,0,0,0,0|3,0,0]=3 240 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_100000038596_200000210301 [0,0,0,0,0,0|3,0,0]=3 241 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_200009861682_200000210301 [0,0,0,0,0,0|3,0,0]=3 242 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 34a_100000038596_200025704644 [0,0,0,0,0,0|3,0,0]=3 243 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 7a_100000038596_200025704644 [0,0,0,0,0,0|3,0,0]=3 244 B11R1.279 COc1ccc(c(c1)F)C#N 34a_100000753931_200000210301 [0,0,0,0,0,0|2,0,1]=3 245 B11R1.279 COc1ccc(c(c1)F)C#N 7a_100000753931_200000210301 [0,0,0,0,0,0|2,0,1]=3 246 B11R1.279 COc1ccc(c(c1)F)CO 34a_100000084598_200000210301 [0,0,0,0,0,0|1,0,2]=3 247 B11R1.279 COc1ccc(c(c1)F)CO 7a_100000084598_200000210301 [0,0,0,0,0,0|1,0,2]=3 248 B11R1.279 COc1ccc(c(c1)F)N[13CH3] 34a_100011299463_200025704644 [0,0,0,0,0,0|3,0,0]=3 249 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000036999_200000210301 [0,0,0,0,0,0|3,0,0]=3 250 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000746305_200000210301 [0,0,0,0,0,0|3,0,0]=3 251 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000036999_200000210301 [0,0,0,0,0,0|3,0,0]=3 252 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000746305_200000210301 [0,0,0,0,0,0|3,0,0]=3 253 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 34a_100000036999_200025704644 [0,0,0,0,0,0|3,0,0]=3 254 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 7a_100000036999_200025704644 [0,0,0,0,0,0|3,0,0]=3 255 B11R1.279 COc1ccc(c(c1)F)SC 62a_100000753793_200000210301 [0,0,0,0,0,0|3,0,0]=3 256 B11R1.279 COc1ccc(c(c1)F)SC 62a_200000210301_100000753793 [0,0,0,0,0,0|3,0,0]=3 257 B11R1.279 COc1ccc(c(c1)F)S[13CH3] 62a_100000753793_200025704644 [0,0,0,0,0,0|3,0,0]=3 258 B11R1.279 COc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000753793 [0,0,0,0,0,0|3,0,0]=3 259 B11R1.279 COc1ccc(c(c1)I)N[13CH3] 34a_100000049804_200025704644 [0,0,0,0,0,0|3,0,0]=3 260 B11R1.279 COc1ccc(c(c1)I)OC 34a_100010084122_200000210301 [0,0,0,0,0,0|3,0,0]=3 261 B11R1.279 COc1ccc(c(c1)I)OC 7a_100010084122_200000210301 [0,0,0,0,0,0|3,0,0]=3 262 B11R1.279 COc1ccc(c(c1)N)OC 34a_100000188146_200000210301 [0,0,0,0,0,0|3,0,0]=3 263 B11R1.279 COc1ccc(c(c1)N)O[13CH3] 34a_100000188146_200025704644 [0,0,0,0,0,0|3,0,0]=3 264 B11R1.279 COc1ccc(c(c1)N)SC 62a_100000748021_200000210301 [0,0,0,0,0,0|3,0,0]=3 265 B11R1.279 COc1ccc(c(c1)N)SC 62a_200000210301_100000748021 [0,0,0,0,0,0|3,0,0]=3 266 B11R1.279 COc1ccc(c(c1)N)S[13CH3] 62a_100000748021_200025704644 [0,0,0,0,0,0|3,0,0]=3 267 B11R1.279 COc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100000748021 [0,0,0,0,0,0|3,0,0]=3 268 B11R1.279 COc1ccc(c(c1)O)C#N 271570a_203496583355_100012355471 [0,0,0,0,0,0|1,0,1]=2 269 B11R1.279 COc1ccc(c(c1)O)C=O 271570a_203496583355_100000723261 [0,0,0,0,0,0|0,0,0]=0 270 B11R1.279 COc1ccc(c(c1)O)CO 271570a_203496583355_100011982768 [0,0,0,0,0,0|0,0,2]=2 271 B11R1.279 COc1ccc(c(c1)O)N[13CH3] 34a_100016989039_200025704644 [0,0,0,0,0,0|2,0,0]=2 272 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [0,0,0,0,0,0|2,0,0]=2 273 B11R1.279 COc1ccc(c(c1)O)SC 62a_200000210301_100000719091 [0,0,0,0,0,0|2,0,0]=2 274 B11R1.279 COc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100000719091 [0,0,0,0,0,0|2,0,0]=2 275 B11R1.279 COc1ccc(c(n1)C)OC 34a_200009873766_200000210301 [0,0,0,0,0,0|4,0,0]=4 276 B11R1.279 COc1ccc(c(n1)C)O[13CH3] 34a_200009873766_200025704644 [0,0,0,0,0,0|4,0,0]=4 277 B11R1.279 COc1ccc(c(n1)C)SC 62a_100000766551_200000210301 [0,0,0,0,0,0|4,0,0]=4 278 B11R1.279 COc1ccc(c(n1)C)SC 62a_200000210301_100000766551 [0,0,0,0,0,0|4,0,0]=4 279 B11R1.279 COc1ccc(c(n1)C)S[13CH3] 62a_100000766551_200025704644 [0,0,0,0,0,0|4,0,0]=4 280 B11R1.279 COc1ccc(c(n1)C)S[13CH3] 62a_200025704644_100000766551 [0,0,0,0,0,0|4,0,0]=4 281 B11R1.279 COc1ccc(c(n1)F)SC 62a_100010067559_200000210301 [0,0,0,0,0,0|4,0,0]=4 282 B11R1.279 COc1ccc(c(n1)F)SC 62a_200000210301_100010067559 [0,0,0,0,0,0|4,0,0]=4 283 B11R1.279 COc1ccc(c(n1)F)S[13CH3] 62a_100010067559_200025704644 [0,0,0,0,0,0|4,0,0]=4 284 B11R1.279 COc1ccc(c(n1)F)S[13CH3] 62a_200025704644_100010067559 [0,0,0,0,0,0|4,0,0]=4 285 B11R1.279 COc1ccc(c(n1)N)SC 62a_100010187629_200000210301 [0,0,0,0,0,0|4,0,0]=4 286 B11R1.279 COc1ccc(c(n1)N)S[13CH3] 62a_100010187629_200025704644 [0,0,0,0,0,0|4,0,0]=4 287 B11R1.279 COc1ccc(c(n1)O)C=O 271570a_203496583355_100012351648 [0,0,0,0,0,0|1,0,0]=1 288 B11R1.279 COc1ccc(c(n1)O)CO 271570a_203496583355_100009885603 [0,0,0,0,0,0|1,0,2]=3 289 B11R1.279 COc1ccc(cc1Br)N[13CH3] 34a_100000187427_200025704644 [0,0,0,0,0,0|4,0,0]=4 290 B11R1.279 COc1ccc(cc1Br)O[13CH3] 34a_100010234764_200025704644 [0,0,0,0,0,0|3,0,0]=3 291 B11R1.279 COc1ccc(cc1Br)O[13CH3] 7a_100010234764_200025704644 [0,0,0,0,0,0|3,0,0]=3 292 B11R1.279 COc1ccc(cc1Br)SC 62a_100011249507_200000210301 [0,0,0,0,0,0|3,1,0]=4 293 B11R1.279 COc1ccc(cc1Br)SC 62a_200000210301_100011249507 [0,0,0,0,0,0|3,1,0]=4 294 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_100011249507_200025704644 [0,0,0,0,0,0|3,1,0]=4 295 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_200025704644_100011249507 [0,0,0,0,0,0|3,1,0]=4 296 B11R1.279 COc1ccc(cc1C)N[13CH3] 2230a_100000743268_200025704644 [0,0,0,0,0,0|4,0,0]=4 297 B11R1.279 COc1ccc(cc1C)N[13CH3] 34a_100000743268_200025704644 [0,0,0,0,0,0|4,0,0]=4 298 B11R1.279 COc1ccc(cc1C)N[13CH3] 7a_100000743268_200025704644 [0,0,0,0,0,0|4,0,0]=4 299 B11R1.279 COc1ccc(cc1C)O[13CH3] 34a_100000759738_200025704644 [0,0,0,0,0,0|3,0,0]=3 300 B11R1.279 COc1ccc(cc1C)O[13CH3] 7a_100000759738_200025704644 [0,0,0,0,0,0|3,0,0]=3 301 B11R1.279 COc1ccc(cc1C)SC 62a_100011219705_200000210301 [0,0,0,0,0,0|3,1,0]=4 302 B11R1.279 COc1ccc(cc1C)SC 62a_200000210301_100011219705 [0,0,0,0,0,0|3,1,0]=4 303 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_100011219705_200025704644 [0,0,0,0,0,0|3,1,0]=4 304 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_200025704644_100011219705 [0,0,0,0,0,0|3,1,0]=4 305 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 2230a_100000211044_200025704644 [0,0,0,0,0,0|4,0,0]=4 306 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 34a_100000211044_200025704644 [0,0,0,0,0,0|4,0,0]=4 307 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 34a_200009861682_200025704644 [0,0,0,0,0,0|3,0,0]=3 308 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 7a_200009861682_200025704644 [0,0,0,0,0,0|3,0,0]=3 309 B11R1.279 COc1ccc(cc1Cl)SC 62a_100012355395_200000210301 [0,0,0,0,0,0|3,1,0]=4 310 B11R1.279 COc1ccc(cc1Cl)SC 62a_200000210301_100012355395 [0,0,0,0,0,0|3,1,0]=4 311 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_100012355395_200025704644 [0,0,0,0,0,0|3,1,0]=4 312 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100012355395 [0,0,0,0,0,0|3,1,0]=4 313 B11R1.279 COc1ccc(cc1F)N[13CH3] 2230a_100000740183_200025704644 [0,0,0,0,0,0|4,0,0]=4 314 B11R1.279 COc1ccc(cc1F)N[13CH3] 34a_100000740183_200025704644 [0,0,0,0,0,0|4,0,0]=4 315 B11R1.279 COc1ccc(cc1F)O[13CH3] 34a_100000746305_200025704644 [0,0,0,0,0,0|3,0,0]=3 316 B11R1.279 COc1ccc(cc1F)O[13CH3] 7a_100000746305_200025704644 [0,0,0,0,0,0|3,0,0]=3 317 B11R1.279 COc1ccc(cc1F)SC 62a_100000171752_200000210301 [0,0,0,0,0,0|3,1,0]=4 318 B11R1.279 COc1ccc(cc1F)SC 62a_200000210301_100000171752 [0,0,0,0,0,0|3,1,0]=4 319 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_100000171752_200025704644 [0,0,0,0,0,0|3,1,0]=4 320 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_200025704644_100000171752 [0,0,0,0,0,0|3,1,0]=4 321 B11R1.279 COc1ccc(cc1I)N[13CH3] 34a_100011356947_200025704644 [0,0,0,0,0,0|4,0,0]=4 322 B11R1.279 COc1ccc(cc1I)O[13CH3] 34a_100010084122_200025704644 [0,0,0,0,0,0|3,0,0]=3 323 B11R1.279 COc1ccc(cc1I)O[13CH3] 7a_100010084122_200025704644 [0,0,0,0,0,0|3,0,0]=3 324 B11R1.279 COc1ccc(cc1N)SC 62a_100011249504_200000210301 [0,0,0,0,0,0|3,1,0]=4 325 B11R1.279 COc1ccc(cc1N)SC 62a_200000210301_100011249504 [0,0,0,0,0,0|3,1,0]=4 326 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_100011249504_200025704644 [0,0,0,0,0,0|3,1,0]=4 327 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_200025704644_100011249504 [0,0,0,0,0,0|3,1,0]=4 328 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [0,0,0,0,0,0|4,0,0]=4 329 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [0,0,0,0,0,0|4,0,0]=4 330 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [0,0,0,0,0,0|4,0,0]=4 331 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [0,0,0,0,0,0|4,0,0]=4 332 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [0,0,0,0,0,0|3,0,0]=3 333 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [0,0,0,0,0,0|2,1,0]=3 334 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [0,0,0,0,0,0|2,1,0]=3 335 B11R1.279 COc1cnc(c(c1)Br)C#N 34a_200015293162_200000210301 [0,0,0,0,0,0|3,0,1]=4 336 B11R1.279 COc1cnc(c(c1)Br)C#N 7a_200015293162_200000210301 [0,0,0,0,0,0|3,0,1]=4 337 B11R1.279 COc1cnc(c(c1)C)SC 62a_200000210301_200009851512 [0,0,0,0,0,0|4,0,0]=4 338 B11R1.279 COc1cnc(c(c1)C)S[13CH3] 62a_200025704644_200009851512 [0,0,0,0,0,0|4,0,0]=4 339 B11R1.279 COc1cnc(c(c1)N)SC 62a_100010074831_200000210301 [0,0,0,0,0,0|4,0,0]=4 340 B11R1.279 COc1cnc(c(c1)N)SC 62a_200000210301_100010074831 [0,0,0,0,0,0|4,0,0]=4 341 B11R1.279 COc1cnc(c(c1)N)S[13CH3] 62a_100010074831_200025704644 [0,0,0,0,0,0|4,0,0]=4 342 B11R1.279 COc1cnc(c(c1)N)S[13CH3] 62a_200025704644_100010074831 [0,0,0,0,0,0|4,0,0]=4 343 B11R1.279 COc1cnc(c(c1)O)C#N 271570a_203496583355_100010187620 [0,0,0,0,0,0|2,0,1]=3 344 B11R1.279 COc1cnc(c(c1)O)C=O 271570a_203496583355_200010135874 [0,0,0,0,0,0|1,0,0]=1 345 B11R1.279 COc1cnc(cc1O)SC 62a_200000210301_100010264082 [0,0,0,0,0,0|3,1,0]=4 346 B11R1.279 COc1cnc(cc1O)S[13CH3] 62a_200025704644_100010264082 [0,0,0,0,0,0|3,1,0]=4 347 B11R1.279 COc1ncc(cc1O)SC 62a_200000210301_100010135713 [0,0,0,0,0,0|3,1,0]=4 348 B11R1.279 COc1ncc(cc1O)S[13CH3] 62a_200025704644_100010135713 [0,0,0,0,0,0|3,1,0]=4 349 B11R1.279 CSc1cc(c(cn1)C=O)C 62a_100000085382_200000210301 [0,0,0,0,0,0|2,1,0]=3 350 B11R1.279 CSc1cc(c(cn1)C=O)C 62a_200000210301_100000085382 [0,0,0,0,0,0|2,1,0]=3 351 B11R1.279 CSc1cc(c(cn1)C=O)N 62a_100000050503_200000210301 [0,0,0,0,0,0|2,1,0]=3 352 B11R1.279 CSc1cc(c(cn1)C=O)N 62a_200000210301_100000050503 [0,0,0,0,0,0|2,1,0]=3 353 B11R1.279 CSc1ccc(c(c1)Br)C#N 62a_100012349582_200000210301 [0,0,0,0,0,0|2,1,1]=4 354 B11R1.279 CSc1ccc(c(c1)Br)C#N 62a_200000210301_100012349582 [0,0,0,0,0,0|2,1,1]=4 355 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_100010185650_200000210301 [0,0,0,0,0,0|1,1,0]=2 356 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_200000210301_100010185650 [0,0,0,0,0,0|1,1,0]=2 357 B11R1.279 CSc1ccc(c(c1)Br)CO 62a_100010240206_200000210301 [0,0,0,0,0,0|1,1,2]=4 358 B11R1.279 CSc1ccc(c(c1)Br)CO 62a_200000210301_100010240206 [0,0,0,0,0,0|1,1,2]=4 359 B11R1.279 CSc1ccc(c(c1)C)C#N 62a_200000210301_100000687762 [0,0,0,0,0,0|2,1,1]=4 360 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_100000766358_200000210301 [0,0,0,0,0,0|1,1,0]=2 361 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_200000210301_100000766358 [0,0,0,0,0,0|1,1,0]=2 362 B11R1.279 CSc1ccc(c(c1)C)CF 62a_200000210301_200010711859 [0,0,0,0,0,0|2,1,1]=4 363 B11R1.279 CSc1ccc(c(c1)C)CF 62a_200010711859_200000210301 [0,0,0,0,0,0|2,1,1]=4 364 B11R1.279 CSc1ccc(c(c1)C)CN 62a_100000753881_200000210301 [0,0,0,0,0,0|2,1,1]=4 365 B11R1.279 CSc1ccc(c(c1)C)CN 62a_200000210301_100000753881 [0,0,0,0,0,0|2,1,1]=4 366 B11R1.279 CSc1ccc(c(c1)C)CO 62a_100000748258_200000210301 [0,0,0,0,0,0|1,1,2]=4 367 B11R1.279 CSc1ccc(c(c1)C)CO 62a_200000210301_100000748258 [0,0,0,0,0,0|1,1,2]=4 368 B11R1.279 CSc1ccc(c(c1)C)NN 62a_100000751375_200000210301 [0,0,0,0,0,0|3,1,0]=4 369 B11R1.279 CSc1ccc(c(c1)C)NN 62a_200000210301_100000751375 [0,0,0,0,0,0|3,1,0]=4 370 B11R1.279 CSc1ccc(c(c1)Cl)C#N 62a_200000210301_100012349662 [0,0,0,0,0,0|2,1,1]=4 371 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_100000727542_200000210301 [0,0,0,0,0,0|1,1,0]=2 372 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_200000210301_100000727542 [0,0,0,0,0,0|1,1,0]=2 373 B11R1.279 CSc1ccc(c(c1)Cl)SC 62a_200000210301_206447510565 [0,0,0,0,0,0|3,1,0]=4 374 B11R1.279 CSc1ccc(c(c1)Cl)SC 62a_206447510565_200000210301 [0,0,0,0,0,0|3,1,0]=4 375 B11R1.279 CSc1ccc(c(c1)F)C#N 62a_200000210301_100000037869 [0,0,0,0,0,0|2,1,1]=4 376 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_100000211676_200000210301 [0,0,0,0,0,0|1,1,0]=2 377 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_200000210301_100000211676 [0,0,0,0,0,0|1,1,0]=2 378 B11R1.279 CSc1ccc(c(c1)F)CN 62a_100000754580_200000210301 [0,0,0,0,0,0|2,1,1]=4 379 B11R1.279 CSc1ccc(c(c1)F)CN 62a_200000210301_100000754580 [0,0,0,0,0,0|2,1,1]=4 380 B11R1.279 CSc1ccc(c(c1)F)CO 62a_100011191541_200000210301 [0,0,0,0,0,0|1,1,2]=4 381 B11R1.279 CSc1ccc(c(c1)F)CO 62a_200000210301_100011191541 [0,0,0,0,0,0|1,1,2]=4 382 B11R1.279 CSc1ccc(c(c1)F)NN 62a_100000751572_200000210301 [0,0,0,0,0,0|3,1,0]=4 383 B11R1.279 CSc1ccc(c(c1)F)NN 62a_200000210301_100000751572 [0,0,0,0,0,0|3,1,0]=4 384 B11R1.279 CSc1ccc(c(c1)F)N[13CH3] 34a_100012056844_200025704644 [0,0,0,0,0,0|3,1,0]=4 385 B11R1.279 CSc1ccc(c(c1)F)SC 62a_100009816902_200000210301 [0,0,0,0,0,0|3,1,0]=4 386 B11R1.279 CSc1ccc(c(c1)F)SC 62a_100010161220_200000210301 [0,0,0,0,0,0|3,1,0]=4 387 B11R1.279 CSc1ccc(c(c1)F)SC 62a_200000210301_100009816902 [0,0,0,0,0,0|3,1,0]=4 388 B11R1.279 CSc1ccc(c(c1)F)SC 62a_200000210301_100010161220 [0,0,0,0,0,0|3,1,0]=4 389 B11R1.279 CSc1ccc(c(c1)F)S[13CH3] 62a_100009816902_200025704644 [0,0,0,0,0,0|3,1,0]=4 390 B11R1.279 CSc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100009816902 [0,0,0,0,0,0|3,1,0]=4 391 B11R1.279 CSc1ccc(c(c1)N)C#N 62a_200000210301_100000699244 [0,0,0,0,0,0|2,1,1]=4 392 B11R1.279 CSc1ccc(c(c1)N)C=O 62a_100009814810_200000210301 [0,0,0,0,0,0|1,1,0]=2 393 B11R1.279 CSc1ccc(c(c1)N)CO 62a_100000718831_200000210301 [0,0,0,0,0,0|1,1,2]=4 394 B11R1.279 CSc1ccc(c(c1)N)CO 62a_200000210301_100000718831 [0,0,0,0,0,0|1,1,2]=4 395 B11R1.279 CSc1ccc(c(c1)O)C#N 62a_200000210301_100011934713 [0,0,0,0,0,0|1,1,1]=3 396 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_100011277552_200000210301 [0,0,0,0,0,0|0,1,0]=1 397 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_200000210301_100011277552 [0,0,0,0,0,0|0,1,0]=1 398 B11R1.279 CSc1ccc(c(c1)O)CO 62a_100000071718_200000210301 [0,0,0,0,0,0|0,1,2]=3 399 B11R1.279 CSc1ccc(c(c1)O)CO 62a_200000210301_100000071718 [0,0,0,0,0,0|0,1,2]=3 400 B11R1.279 CSc1ccc(c(n1)C)C=O 62a_100000050599_200000210301 [0,0,0,0,0,0|2,1,0]=3 401 B11R1.279 CSc1ccc(c(n1)C)C=O 62a_200000210301_100000050599 [0,0,0,0,0,0|2,1,0]=3 402 B11R1.279 CSc1ccc(c(n1)F)C=O 62a_100010064369_200000210301 [0,0,0,0,0,0|2,1,0]=3 403 B11R1.279 CSc1ccc(c(n1)F)C=O 62a_200000210301_100010064369 [0,0,0,0,0,0|2,1,0]=3 404 B11R1.279 CSc1ccc(cc1C)O[13CH3] 34a_100000030144_200025704644 [0,0,0,0,0,0|3,0,0]=3 405 B11R1.279 CSc1ccc(cc1Cl)S[13CH3] 62a_200025704644_206447510565 [0,0,0,0,0,0|3,1,0]=4 406 B11R1.279 CSc1ccc(cc1Cl)S[13CH3] 62a_206447510565_200025704644 [0,0,0,0,0,0|3,1,0]=4 407 B11R1.279 CSc1ccc(cc1F)N[13CH3] 2230a_100000762756_200025704644 [0,0,0,0,0,0|4,0,0]=4 408 B11R1.279 CSc1ccc(cc1F)N[13CH3] 34a_100000762756_200025704644 [0,0,0,0,0,0|4,0,0]=4 409 B11R1.279 CSc1ccc(cc1F)S[13CH3] 62a_100010161220_200025704644 [0,0,0,0,0,0|3,1,0]=4 410 B11R1.279 CSc1ccc(cc1F)S[13CH3] 62a_200025704644_100010161220 [0,0,0,0,0,0|3,1,0]=4 411 B11R1.279 CSc1ccc(cc1O)C#N 62a_200000210301_100009877741 [0,0,0,0,0,0|4,0,0]=4 412 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [0,0,0,0,0,0|4,0,0]=4 413 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [0,0,0,0,0,0|4,0,0]=4 414 B11R1.279 CSc1ccc(cc1O)CO 62a_100000049605_200000210301 [0,0,0,0,0,0|4,0,0]=4 415 B11R1.279 CSc1ccc(cc1O)CO 62a_200000210301_100000049605 [0,0,0,0,0,0|4,0,0]=4 416 B11R1.279 CSc1cnc(c(c1)C)C=O 62a_100010185443_200000210301 [0,0,0,0,0,0|2,1,0]=3 417 B11R1.279 CSc1cnc(c(c1)C)C=O 62a_200000210301_100010185443 [0,0,0,0,0,0|2,1,0]=3 418 B11R1.279 CSc1cnc(c(c1)F)C=O 62a_100010180630_200000210301 [0,0,0,0,0,0|2,1,0]=3 419 B11R1.279 CSc1cnc(c(c1)F)C=O 62a_200000210301_100010180630 [0,0,0,0,0,0|2,1,0]=3 420 B11R1.279 CSc1cnc(c(c1)O)C#N 62a_200000210301_200013853302 [0,0,0,0,0,0|2,1,1]=4 421 B11R1.279 CSc1ncc(c(n1)N)C=O 62a_100010726233_200000210301 [0,0,0,0,0,0|3,1,0]=4 422 B11R1.279 CSc1ncc(c(n1)N)C=O 62a_200000210301_100010726233 [0,0,0,0,0,0|3,1,0]=4 423 B11R1.279 CSc1ncc(c(n1)O)C=O 271570a_203496583355_100009862043 [0,0,0,0,0,0|2,1,0]=3 424 B11R1.279 Cc1cc(ccc1C#N)N[13CH3] 34a_100011999795_200025704644 [0,0,0,0,0,0|3,0,1]=4 425 B11R1.279 Cc1cc(ccc1C#N)N[13CH3] 7a_100011999795_200025704644 [0,0,0,0,0,0|3,0,1]=4 426 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 34a_100000720286_200025704644 [0,0,0,0,0,0|2,0,1]=3 427 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 7a_100000720286_200025704644 [0,0,0,0,0,0|2,0,1]=3 428 B11R1.279 Cc1cc(ccc1C#N)S[13CH3] 62a_200025704644_100000687762 [0,0,0,0,0,0|2,1,1]=4 429 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_100000766358_200025704644 [0,0,0,0,0,0|1,1,0]=2 430 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100000766358 [0,0,0,0,0,0|1,1,0]=2 431 B11R1.279 Cc1cc(ccc1CF)S[13CH3] 62a_200010711859_200025704644 [0,0,0,0,0,0|2,1,1]=4 432 B11R1.279 Cc1cc(ccc1CF)S[13CH3] 62a_200025704644_200010711859 [0,0,0,0,0,0|2,1,1]=4 433 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_100000753881_200025704644 [0,0,0,0,0,0|2,1,1]=4 434 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_200025704644_100000753881 [0,0,0,0,0,0|2,1,1]=4 435 B11R1.279 Cc1cc(ccc1CO)N[13CH3] 34a_100000102464_200025704644 [0,0,0,0,0,0|2,0,2]=4 436 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_100000748258_200025704644 [0,0,0,0,0,0|1,1,2]=4 437 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_200025704644_100000748258 [0,0,0,0,0,0|1,1,2]=4 438 B11R1.279 Cc1cc(ccc1NN)S[13CH3] 62a_100000751375_200025704644 [0,0,0,0,0,0|3,1,0]=4 439 B11R1.279 Cc1cc(ccc1NN)S[13CH3] 62a_200025704644_100000751375 [0,0,0,0,0,0|3,1,0]=4 440 B11R1.279 Cc1cc(cnc1C=O)S[13CH3] 62a_100010185443_200025704644 [0,0,0,0,0,0|2,1,0]=3 441 B11R1.279 Cc1cc(cnc1C=O)S[13CH3] 62a_200025704644_100010185443 [0,0,0,0,0,0|2,1,0]=3 442 B11R1.279 Cc1cc(ncc1C=O)S[13CH3] 62a_100000085382_200025704644 [0,0,0,0,0,0|2,1,0]=3 443 B11R1.279 Cc1cc(ncc1C=O)S[13CH3] 62a_200025704644_100000085382 [0,0,0,0,0,0|2,1,0]=3 444 B11R1.279 Cc1nc(ccc1C=O)S[13CH3] 62a_100000050599_200025704644 [0,0,0,0,0,0|2,1,0]=3 445 B11R1.279 Cc1nc(ccc1C=O)S[13CH3] 62a_200025704644_100000050599 [0,0,0,0,0,0|2,1,0]=3 446 B11R1.279 N#Cc1ccc(c(c1)O)C=O 271570a_203496583355_100012355658 [0,0,0,0,0,0|2,0,0]=2 447 B11R1.279 N#Cc1ccc(c(c1)O)CN 271570a_203496583355_114948178924 [0,0,0,0,0,0|3,0,1]=4 448 B11R1.279 N#Cc1ccc(c(c1)O)CO 271570a_203496583355_100010214422 [0,0,0,0,0,0|2,0,2]=4 449 B11R1.279 N#Cc1ccc(cc1O)C=O 271570a_203496583355_100012355660 [0,0,0,0,0,0|3,0,1]=4 450 B11R1.279 N#Cc1ccc(cc1O)CO 271570a_203496583355_100009876504 [0,0,0,0,0,0|3,0,1]=4 451 B11R1.279 N#Cc1ccc(cc1O)NN 271570a_203496583355_200012354828 [0,0,0,0,0,0|3,0,1]=4 452 B11R1.279 O=Cc1ccc(c(c1)O)C=O 271570a_203496583355_100015597013 [0,0,0,0,0,0|2,0,0]=2 453 B11R1.279 OCc1ccc(c(c1)O)CO 271570a_203496583355_100010881536 [0,0,0,0,0,0|2,0,2]=4 454 B11R1.279 [13CH3]Nc1ccc(c(c1)Br)C#N 34a_100000689153_200025704644 [0,0,0,0,0,0|3,0,1]=4 455 B11R1.279 [13CH3]Nc1ccc(c(c1)Br)C#N 7a_100000689153_200025704644 [0,0,0,0,0,0|3,0,1]=4 456 B11R1.279 [13CH3]Nc1ccc(c(c1)Cl)C#N 34a_100000211542_200025704644 [0,0,0,0,0,0|3,0,1]=4 457 B11R1.279 [13CH3]Nc1ccc(c(c1)Cl)C#N 7a_100000211542_200025704644 [0,0,0,0,0,0|3,0,1]=4 458 B11R1.279 [13CH3]Nc1ccc(c(c1)Cl)CO 34a_100000689119_200025704644 [0,0,0,0,0,0|2,0,2]=4 459 B11R1.279 [13CH3]Nc1ccc(c(c1)F)C#N 34a_100000765089_200025704644 [0,0,0,0,0,0|3,0,1]=4 460 B11R1.279 [13CH3]Nc1ccc(c(c1)F)C#N 7a_100000765089_200025704644 [0,0,0,0,0,0|3,0,1]=4 461 B11R1.279 [13CH3]Nc1ccc(c(c1)O)C#N 34a_100000094571_200025704644 [0,0,0,0,0,0|2,0,1]=3 462 B11R1.279 [13CH3]Nc1ccc(c(c1)O)C#N 7a_100000094571_200025704644 [0,0,0,0,0,0|2,0,1]=3 463 B11R1.279 [13CH3]Nc1ccc(cc1O)C#N 34a_100011997735_200025704644 [0,0,0,0,0,0|4,0,0]=4 464 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)C#N 34a_100012184851_200025704644 [0,0,0,0,0,0|2,0,1]=3 465 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)C#N 7a_100012184851_200025704644 [0,0,0,0,0,0|2,0,1]=3 466 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 34a_100010146404_200025704644 [0,0,0,0,0,0|1,0,2]=3 467 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 7a_100010146404_200025704644 [0,0,0,0,0,0|1,0,2]=3 468 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)C#N 34a_100000716493_200025704644 [0,0,0,0,0,0|2,0,1]=3 469 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)C#N 7a_100000716493_200025704644 [0,0,0,0,0,0|2,0,1]=3 470 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CN 34a_200161156549_200025704644 [0,0,0,0,0,0|2,0,1]=3 471 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 34a_200000075811_200025704644 [0,0,0,0,0,0|1,0,2]=3 472 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 7a_200000075811_200025704644 [0,0,0,0,0,0|1,0,2]=3 473 B11R1.279 [13CH3]Oc1ccc(c(c1)F)C#N 34a_100000753931_200025704644 [0,0,0,0,0,0|2,0,1]=3 474 B11R1.279 [13CH3]Oc1ccc(c(c1)F)C#N 7a_100000753931_200025704644 [0,0,0,0,0,0|2,0,1]=3 475 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 34a_100000084598_200025704644 [0,0,0,0,0,0|1,0,2]=3 476 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 7a_100000084598_200025704644 [0,0,0,0,0,0|1,0,2]=3 477 B11R1.279 [13CH3]Oc1cnc(c(c1)Br)C#N 34a_200015293162_200025704644 [0,0,0,0,0,0|3,0,1]=4 478 B11R1.279 [13CH3]Oc1cnc(c(c1)Br)C#N 7a_200015293162_200025704644 [0,0,0,0,0,0|3,0,1]=4 479 B11R1.279 [13CH3]Sc1cc(c(cn1)C=O)N 62a_100000050503_200025704644 [0,0,0,0,0,0|2,1,0]=3 480 B11R1.279 [13CH3]Sc1cc(c(cn1)C=O)N 62a_200025704644_100000050503 [0,0,0,0,0,0|2,1,0]=3 481 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C#N 62a_100012349582_200025704644 [0,0,0,0,0,0|2,1,1]=4 482 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C#N 62a_200025704644_100012349582 [0,0,0,0,0,0|2,1,1]=4 483 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_100010185650_200025704644 [0,0,0,0,0,0|1,1,0]=2 484 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_200025704644_100010185650 [0,0,0,0,0,0|1,1,0]=2 485 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)CO 62a_100010240206_200025704644 [0,0,0,0,0,0|1,1,2]=4 486 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)CO 62a_200025704644_100010240206 [0,0,0,0,0,0|1,1,2]=4 487 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C#N 62a_200025704644_100012349662 [0,0,0,0,0,0|2,1,1]=4 488 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_100000727542_200025704644 [0,0,0,0,0,0|1,1,0]=2 489 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_200025704644_100000727542 [0,0,0,0,0,0|1,1,0]=2 490 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C#N 62a_200025704644_100000037869 [0,0,0,0,0,0|2,1,1]=4 491 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_100000211676_200025704644 [0,0,0,0,0,0|1,1,0]=2 492 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_200025704644_100000211676 [0,0,0,0,0,0|1,1,0]=2 493 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CN 62a_100000754580_200025704644 [0,0,0,0,0,0|2,1,1]=4 494 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CN 62a_200025704644_100000754580 [0,0,0,0,0,0|2,1,1]=4 495 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CO 62a_100011191541_200025704644 [0,0,0,0,0,0|1,1,2]=4 496 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CO 62a_200025704644_100011191541 [0,0,0,0,0,0|1,1,2]=4 497 B11R1.279 [13CH3]Sc1ccc(c(c1)F)NN 62a_100000751572_200025704644 [0,0,0,0,0,0|3,1,0]=4 498 B11R1.279 [13CH3]Sc1ccc(c(c1)F)NN 62a_200025704644_100000751572 [0,0,0,0,0,0|3,1,0]=4 499 B11R1.279 [13CH3]Sc1ccc(c(c1)N)C#N 62a_200025704644_100000699244 [0,0,0,0,0,0|2,1,1]=4 500 B11R1.279 [13CH3]Sc1ccc(c(c1)N)C=O 62a_100009814810_200025704644 [0,0,0,0,0,0|1,1,0]=2 501 B11R1.279 [13CH3]Sc1ccc(c(c1)N)CO 62a_100000718831_200025704644 [0,0,0,0,0,0|1,1,2]=4 502 B11R1.279 [13CH3]Sc1ccc(c(c1)N)CO 62a_200025704644_100000718831 [0,0,0,0,0,0|1,1,2]=4 503 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C#N 62a_200025704644_100011934713 [0,0,0,0,0,0|1,1,1]=3 504 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_100011277552_200025704644 [0,0,0,0,0,0|0,1,0]=1 505 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_200025704644_100011277552 [0,0,0,0,0,0|0,1,0]=1 506 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_100000071718_200025704644 [0,0,0,0,0,0|0,1,2]=3 507 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_200025704644_100000071718 [0,0,0,0,0,0|0,1,2]=3 508 B11R1.279 [13CH3]Sc1ccc(c(n1)F)C=O 62a_100010064369_200025704644 [0,0,0,0,0,0|2,1,0]=3 509 B11R1.279 [13CH3]Sc1ccc(c(n1)F)C=O 62a_200025704644_100010064369 [0,0,0,0,0,0|2,1,0]=3 510 B11R1.279 [13CH3]Sc1ccc(cc1O)C#N 62a_200025704644_100009877741 [0,0,0,0,0,0|4,0,0]=4 511 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [0,0,0,0,0,0|4,0,0]=4 512 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [0,0,0,0,0,0|4,0,0]=4 513 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_100000049605_200025704644 [0,0,0,0,0,0|4,0,0]=4 514 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_200025704644_100000049605 [0,0,0,0,0,0|4,0,0]=4 515 B11R1.279 [13CH3]Sc1cnc(c(c1)F)C=O 62a_100010180630_200025704644 [0,0,0,0,0,0|2,1,0]=3 516 B11R1.279 [13CH3]Sc1cnc(c(c1)F)C=O 62a_200025704644_100010180630 [0,0,0,0,0,0|2,1,0]=3 517 B11R1.279 [13CH3]Sc1cnc(c(c1)O)C#N 62a_200025704644_200013853302 [0,0,0,0,0,0|2,1,1]=4 518 B11R1.279 [13CH3]Sc1ncc(c(n1)N)C=O 62a_100010726233_200025704644 [0,0,0,0,0,0|3,1,0]=4 519 B11R1.279 [13CH3]Sc1ncc(c(n1)N)C=O 62a_200025704644_100010726233 [0,0,0,0,0,0|3,1,0]=4 520 B10R1.3 C#Cc1ccc(cc1)NC 34a_100011215031_200000210301 [1,0,0,0,0,0|2,0,1]=4 521 B10R1.3 C#Cc1ccc(cc1)N[13CH3] 34a_100011215031_200025704644 [1,0,0,0,0,0|2,0,1]=4 522 B10R1.3 C#Cc1ccc(nc1)OC 34a_200009884252_200000210301 [1,0,0,0,0,0|2,0,1]=4 523 B10R1.3 C#Cc1ccc(nc1)O[13CH3] 34a_200009884252_200025704644 [1,0,0,0,0,0|2,0,1]=4 524 B10R1.3 C=Cc1ccc(cc1)C#N 271570a_100011290941_100000179745 [1,0,0,0,0,0|3,0,0]=4 525 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [1,0,0,0,0,0|1,0,1]=3 526 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [1,0,0,0,0,0|2,0,0]=3 527 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [1,0,0,0,0,0|3,0,0]=4 528 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [1,0,0,0,0,0|3,0,0]=4 529 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [1,0,0,0,0,0|3,0,0]=4 530 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [1,0,0,0,0,0|2,0,0]=3 531 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [1,0,0,0,0,0|2,0,0]=3 532 B10R1.3 C=Cc1ccc(cc1)NN 271570a_100011290941_100016988836 [1,0,0,0,0,0|3,0,0]=4 533 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [1,0,0,0,0,0|2,0,0]=3 534 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [1,0,0,0,0,0|1,0,0]=2 535 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [1,0,0,0,0,0|1,0,0]=2 536 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [1,0,0,0,0,0|1,0,0]=2 537 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [1,0,0,0,0,0|1,0,0]=2 538 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [1,0,0,0,0,0|1,0,0]=2 539 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [1,0,0,0,0,0|1,1,0]=3 540 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [1,0,0,0,0,0|1,1,0]=3 541 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [1,0,0,0,0,0|1,1,0]=3 542 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [1,0,0,0,0,0|1,1,0]=3 543 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [1,0,0,0,0,0|1,1,0]=3 544 B10R1.3 C=Cc1ccc(cn1)C=O 271570a_100011290941_100000766901 [1,0,0,0,0,0|2,0,1]=4 545 B10R1.3 C=Cc1ccc(cn1)CC 271570a_100011290941_100009843584 [1,0,0,0,0,0|3,0,0]=4 546 B10R1.3 C=Cc1ccc(cn1)NC 271570a_100011290941_100000764248 [1,0,0,0,0,0|3,0,0]=4 547 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [1,0,0,0,0,0|2,0,0]=3 548 B10R1.3 C=Cc1ccc(cn1)SC 271570a_100011290941_100009820866 [1,0,0,0,0,0|2,1,0]=4 549 B10R1.3 C=Cc1ccc(nc1)C=O 271570a_100011290941_100000754260 [1,0,0,0,0,0|2,0,1]=4 550 B10R1.3 C=Cc1ccc(nc1)CC 271570a_100011290941_100009820025 [1,0,0,0,0,0|3,0,0]=4 551 B10R1.3 C=Cc1ccc(nc1)NC 271570a_100011290941_100000741341 [1,0,0,0,0,0|3,0,0]=4 552 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [1,0,0,0,0,0|2,0,0]=3 553 B10R1.3 C=Cc1ccc(nc1)SC 271570a_100011290941_100011408404 [1,0,0,0,0,0|2,1,0]=4 554 B10R1.3 C=Cc1ccc(nc1)SC 62a_103436540071_200000210301 [1,0,0,0,0,0|2,1,0]=4 555 B10R1.3 C=Cc1ccc(nc1)SC 62a_200000210301_103436540071 [1,0,0,0,0,0|2,1,0]=4 556 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_103436540071_200025704644 [1,0,0,0,0,0|2,1,0]=4 557 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_200025704644_103436540071 [1,0,0,0,0,0|2,1,0]=4 558 B10R1.3 C=Cc1ccc(nn1)OC 271570a_100011290941_100009819040 [1,0,0,0,0,0|3,0,0]=4 559 B10R1.3 C=Cc1cnc(cn1)OC 271570a_100011290941_100011998698 [1,0,0,0,0,0|3,0,0]=4 560 B10R1.3 C=Cc1cnc(nc1)OC 271570a_100011290941_100000686852 [1,0,0,0,0,0|3,0,0]=4 561 B10R1.3 C=Cc1ncc(cn1)OC 271570a_100011290941_100000069167 [1,0,0,0,0,0|3,0,0]=4 562 B10R1.3 CCc1ccc(cc1)NC 2230a_100000211069_200000210301 [1,0,0,0,0,0|2,0,1]=4 563 B10R1.3 CCc1ccc(cc1)NC 34a_100000211069_200000210301 [1,0,0,0,0,0|2,0,1]=4 564 B10R1.3 CCc1ccc(cc1)N[13CH3] 2230a_100000211069_200025704644 [1,0,0,0,0,0|2,0,1]=4 565 B10R1.3 CCc1ccc(cc1)N[13CH3] 34a_100000211069_200025704644 [1,0,0,0,0,0|2,0,1]=4 566 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [1,0,0,0,0,0|1,0,1]=3 567 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [1,0,0,0,0,0|1,0,1]=3 568 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [1,0,0,0,0,0|1,0,1]=3 569 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [1,0,0,0,0,0|1,0,1]=3 570 B10R1.3 CCc1ccc(cc1)SC 62a_100011215824_200000210301 [1,0,0,0,0,0|1,1,1]=4 571 B10R1.3 CCc1ccc(cc1)SC 62a_200000210301_100011215824 [1,0,0,0,0,0|1,1,1]=4 572 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_100011215824_200025704644 [1,0,0,0,0,0|1,1,1]=4 573 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_200025704644_100011215824 [1,0,0,0,0,0|1,1,1]=4 574 B10R1.3 CNc1ccc(cc1)C#N 34a_100000185469_200000210301 [1,0,0,0,0,0|2,0,1]=4 575 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [1,0,0,0,0,0|1,0,2]=4 576 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [1,0,0,0,0,0|1,0,2]=4 577 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [1,0,0,0,0,0|2,0,0]=3 578 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [1,0,0,0,0,0|2,0,0]=3 579 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [1,0,0,0,0,0|2,0,0]=3 580 B10R1.3 CNc1ccc(cc1)SC 34a_100000212337_200000210301 [1,0,0,0,0,0|2,1,0]=4 581 B10R1.3 CNc1ccc(cc1)SC 62a_100000743151_200000210301 [1,0,0,0,0,0|2,1,0]=4 582 B10R1.3 CNc1ccc(cc1)SC 62a_200000210301_100000743151 [1,0,0,0,0,0|2,1,0]=4 583 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_100000743151_200025704644 [1,0,0,0,0,0|2,1,0]=4 584 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_200025704644_100000743151 [1,0,0,0,0,0|2,1,0]=4 585 B10R1.3 CNc1cnc(cn1)C=O 27a_100102657272_100012001714 [1,0,0,0,0,0|3,0,0]=4 586 B10R1.3 CNc1ncc(cn1)C=O 27a_100102657272_100000070856 [1,0,0,0,0,0|3,0,0]=4 587 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [1,0,0,0,0,0|1,0,1]=3 588 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [1,0,0,0,0,0|1,0,1]=3 589 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [1,0,0,0,0,0|1,0,1]=3 590 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [1,0,0,0,0,0|0,0,2]=3 591 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [1,0,0,0,0,0|2,0,0]=3 592 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [1,0,0,0,0,0|2,0,0]=3 593 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [1,0,0,0,0,0|2,0,0]=3 594 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [1,0,0,0,0,0|2,0,0]=3 595 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [1,0,0,0,0,0|2,0,0]=3 596 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [1,0,0,0,0,0|2,0,0]=3 597 B10R1.3 COc1ccc(cn1)CN 34a_100000757128_200000210301 [1,0,0,0,0,0|2,0,1]=4 598 B10R1.3 COc1ccc(cn1)O[13CH3] 34a_100011934560_200025704644 [1,0,0,0,0,0|3,0,0]=4 599 B10R1.3 COc1ccc(cn1)SC 62a_100000047065_200000210301 [1,0,0,0,0,0|3,0,0]=4 600 B10R1.3 COc1ccc(cn1)SC 62a_200000210301_100000047065 [1,0,0,0,0,0|3,0,0]=4 601 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_100000047065_200025704644 [1,0,0,0,0,0|3,0,0]=4 602 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_200025704644_100000047065 [1,0,0,0,0,0|3,0,0]=4 603 B10R1.3 COc1ccc(nc1)C#N 34a_100011934750_200000210301 [1,0,0,0,0,0|2,0,1]=4 604 B10R1.3 COc1ccc(nc1)C#N 7a_100011934750_200000210301 [1,0,0,0,0,0|2,0,1]=4 605 B10R1.3 COc1ccc(nc1)CN 34a_100020605196_200000210301 [1,0,0,0,0,0|2,0,1]=4 606 B10R1.3 COc1ccc(nc1)CO 34a_103436540053_200000210301 [1,0,0,0,0,0|1,0,2]=4 607 B10R1.3 COc1ccc(nc1)OC 34a_100011934560_200000210301 [1,0,0,0,0,0|3,0,0]=4 608 B10R1.3 COc1ccc(nc1)OC 34a_100012002028_200000210301 [1,0,0,0,0,0|3,0,0]=4 609 B10R1.3 COc1ccc(nc1)O[13CH3] 34a_100012002028_200025704644 [1,0,0,0,0,0|3,0,0]=4 610 B10R1.3 COc1ccc(nc1)SC 62a_100000755202_200000210301 [1,0,0,0,0,0|3,0,0]=4 611 B10R1.3 COc1ccc(nc1)SC 62a_200000210301_100000744180 [1,0,0,0,0,0|3,0,0]=4 612 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_100000755202_200025704644 [1,0,0,0,0,0|3,0,0]=4 613 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_200025704644_100000744180 [1,0,0,0,0,0|3,0,0]=4 614 B10R1.3 CSc1ccc(cc1)C#N 62a_200000210301_100000184291 [1,0,0,0,0,0|1,1,1]=4 615 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [1,0,0,0,0,0|0,1,0]=2 616 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [1,0,0,0,0,0|0,1,0]=2 617 B10R1.3 CSc1ccc(cc1)CF 62a_100010268989_200000210301 [1,0,0,0,0,0|1,1,1]=4 618 B10R1.3 CSc1ccc(cc1)CF 62a_200000210301_100010268989 [1,0,0,0,0,0|1,1,1]=4 619 B10R1.3 CSc1ccc(cc1)CN 62a_100016989417_200000210301 [1,0,0,0,0,0|1,1,1]=4 620 B10R1.3 CSc1ccc(cc1)CN 62a_200000210301_100016989417 [1,0,0,0,0,0|1,1,1]=4 621 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [1,0,0,0,0,0|0,1,2]=4 622 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [1,0,0,0,0,0|0,1,2]=4 623 B10R1.3 CSc1ccc(cc1)NN 62a_100016988836_200000210301 [1,0,0,0,0,0|2,1,0]=4 624 B10R1.3 CSc1ccc(cc1)NN 62a_200000210301_100016988836 [1,0,0,0,0,0|2,1,0]=4 625 B10R1.3 CSc1ccc(cc1)N[13CH3] 34a_100000212337_200025704644 [1,0,0,0,0,0|2,1,0]=4 626 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [1,0,0,0,0,0|2,0,0]=3 627 B10R1.3 CSc1ccc(cc1)SC 62a_100011263217_200000210301 [1,0,0,0,0,0|2,1,0]=4 628 B10R1.3 CSc1ccc(cc1)SC 62a_200000210301_100011263217 [1,0,0,0,0,0|2,1,0]=4 629 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_100011263217_200025704644 [1,0,0,0,0,0|2,1,0]=4 630 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_200025704644_100011263217 [1,0,0,0,0,0|2,1,0]=4 631 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [1,0,0,0,0,0|1,1,0]=3 632 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [1,0,0,0,0,0|1,1,0]=3 633 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [1,0,0,0,0,0|1,1,0]=3 634 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [1,0,0,0,0,0|1,1,0]=3 635 B10R1.3 CSc1ccc(nn1)C=O 62a_100000044651_200000210301 [1,0,0,0,0,0|2,1,0]=4 636 B10R1.3 CSc1ccc(nn1)C=O 62a_200000210301_100000044651 [1,0,0,0,0,0|2,1,0]=4 637 B10R1.3 CSc1cnc(cn1)C=O 62a_100012001714_200000210301 [1,0,0,0,0,0|2,1,0]=4 638 B10R1.3 CSc1cnc(cn1)C=O 62a_200000210301_100012001714 [1,0,0,0,0,0|2,1,0]=4 639 B10R1.3 CSc1ncc(cn1)C=O 62a_100000070856_200000210301 [1,0,0,0,0,0|2,1,0]=4 640 B10R1.3 CSc1ncc(cn1)C=O 62a_200000210301_100000070856 [1,0,0,0,0,0|2,1,0]=4 641 B10R1.3 [13CH3]Nc1ccc(cc1)C#N 34a_100000185469_200025704644 [1,0,0,0,0,0|2,0,1]=4 642 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [1,0,0,0,0,0|1,0,2]=4 643 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [1,0,0,0,0,0|1,0,2]=4 644 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [1,0,0,0,0,0|1,0,1]=3 645 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [1,0,0,0,0,0|1,0,1]=3 646 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [1,0,0,0,0,0|1,0,1]=3 647 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [1,0,0,0,0,0|0,0,2]=3 648 B10R1.3 [13CH3]Oc1ccc(cn1)CN 34a_100000757128_200025704644 [1,0,0,0,0,0|2,0,1]=4 649 B10R1.3 [13CH3]Oc1ccc(nc1)C#N 34a_100011934750_200025704644 [1,0,0,0,0,0|2,0,1]=4 650 B10R1.3 [13CH3]Oc1ccc(nc1)C#N 7a_100011934750_200025704644 [1,0,0,0,0,0|2,0,1]=4 651 B10R1.3 [13CH3]Oc1ccc(nc1)CN 34a_100020605196_200025704644 [1,0,0,0,0,0|2,0,1]=4 652 B10R1.3 [13CH3]Oc1ccc(nc1)CO 34a_103436540053_200025704644 [1,0,0,0,0,0|1,0,2]=4 653 B10R1.3 [13CH3]Sc1ccc(cc1)C#N 62a_200025704644_100000184291 [1,0,0,0,0,0|1,1,1]=4 654 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [1,0,0,0,0,0|0,1,0]=2 655 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [1,0,0,0,0,0|0,1,0]=2 656 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_100010268989_200025704644 [1,0,0,0,0,0|1,1,1]=4 657 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_200025704644_100010268989 [1,0,0,0,0,0|1,1,1]=4 658 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_100016989417_200025704644 [1,0,0,0,0,0|1,1,1]=4 659 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_200025704644_100016989417 [1,0,0,0,0,0|1,1,1]=4 660 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [1,0,0,0,0,0|0,1,2]=4 661 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [1,0,0,0,0,0|0,1,2]=4 662 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_100016988836_200025704644 [1,0,0,0,0,0|2,1,0]=4 663 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_200025704644_100016988836 [1,0,0,0,0,0|2,1,0]=4 664 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [1,0,0,0,0,0|1,1,0]=3 665 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [1,0,0,0,0,0|1,1,0]=3 666 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [1,0,0,0,0,0|1,1,0]=3 667 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [1,0,0,0,0,0|1,1,0]=3 668 B10R1.3 [13CH3]Sc1ccc(nn1)C=O 62a_100000044651_200025704644 [1,0,0,0,0,0|2,1,0]=4 669 B10R1.3 [13CH3]Sc1ccc(nn1)C=O 62a_200025704644_100000044651 [1,0,0,0,0,0|2,1,0]=4 670 B10R1.3 [13CH3]Sc1cnc(cn1)C=O 62a_100012001714_200025704644 [1,0,0,0,0,0|2,1,0]=4 671 B10R1.3 [13CH3]Sc1cnc(cn1)C=O 62a_200025704644_100012001714 [1,0,0,0,0,0|2,1,0]=4 672 B10R1.3 [13CH3]Sc1ncc(cn1)C=O 62a_100000070856_200025704644 [1,0,0,0,0,0|2,1,0]=4 673 B10R1.3 [13CH3]Sc1ncc(cn1)C=O 62a_200025704644_100000070856 [1,0,0,0,0,0|2,1,0]=4 674 B10R1.25 C=Cc1ccc(c[n+]1[O-])C 271570a_100011290941_100009819918 [1,0,0,0,0,0|2,0,1]=4 675 B10R1.25 C=Cc1ccc(cc1Br)Br 271570a_100011290941_100011484698 [1,0,0,0,0,0|3,0,0]=4 676 B10R1.25 C=Cc1ccc(cc1Br)C 271570a_100011290941_100009813563 [1,0,0,0,0,0|2,0,0]=3 677 B10R1.25 C=Cc1ccc(cc1Br)Cl 271570a_100011290941_100011219703 [1,0,0,0,0,0|3,0,0]=4 678 B10R1.25 C=Cc1ccc(cc1Br)F 271570a_100011290941_100011217111 [1,0,0,0,0,0|3,0,0]=4 679 B10R1.25 C=Cc1ccc(cc1Br)N 271570a_100011290941_100000750458 [1,0,0,0,0,0|3,0,0]=4 680 B10R1.25 C=Cc1ccc(cc1Br)O 271570a_100011290941_100000701344 [1,0,0,0,0,0|2,0,0]=3 681 B10R1.25 C=Cc1ccc(cc1C)Br 271570a_100011290941_100000701812 [1,0,0,0,0,0|3,0,0]=4 682 B10R1.25 C=Cc1ccc(cc1C)C 271570a_100011290941_100011217332 [1,0,0,0,0,0|2,0,0]=3 683 B10R1.25 C=Cc1ccc(cc1C)Cl 271570a_100011290941_100011219607 [1,0,0,0,0,0|3,0,0]=4 684 B10R1.25 C=Cc1ccc(cc1C)F 271570a_100011290941_100011205405 [1,0,0,0,0,0|3,0,0]=4 685 B10R1.25 C=Cc1ccc(cc1C)N 271570a_100011290941_100000210723 [1,0,0,0,0,0|3,0,0]=4 686 B10R1.25 C=Cc1ccc(cc1C)O 271570a_100011290941_100000729255 [1,0,0,0,0,0|2,0,0]=3 687 B10R1.25 C=Cc1ccc(cc1Cl)Br 271570a_100011290941_100011216062 [1,0,0,0,0,0|3,0,0]=4 688 B10R1.25 C=Cc1ccc(cc1Cl)C 271570a_100011290941_100011263221 [1,0,0,0,0,0|2,0,0]=3 689 B10R1.25 C=Cc1ccc(cc1Cl)Cl 271570a_100011290941_100000699841 [1,0,0,0,0,0|3,0,0]=4 690 B10R1.25 C=Cc1ccc(cc1Cl)F 271570a_100011290941_100000733362 [1,0,0,0,0,0|3,0,0]=4 691 B10R1.25 C=Cc1ccc(cc1Cl)N 271570a_100011290941_100000761885 [1,0,0,0,0,0|3,0,0]=4 692 B10R1.25 C=Cc1ccc(cc1Cl)O 271570a_100011290941_100000047559 [1,0,0,0,0,0|2,0,0]=3 693 B10R1.25 C=Cc1ccc(cc1F)Br 271570a_100011290941_100009814013 [1,0,0,0,0,0|3,0,0]=4 694 B10R1.25 C=Cc1ccc(cc1F)C 271570a_100011290941_100011216119 [1,0,0,0,0,0|2,0,0]=3 695 B10R1.25 C=Cc1ccc(cc1F)Cl 271570a_100011290941_100011216042 [1,0,0,0,0,0|3,0,0]=4 696 B10R1.25 C=Cc1ccc(cc1F)F 271570a_100011290941_100000750030 [1,0,0,0,0,0|3,0,0]=4 697 B10R1.25 C=Cc1ccc(cc1F)N 271570a_100011290941_100011356925 [1,0,0,0,0,0|3,0,0]=4 698 B10R1.25 C=Cc1ccc(cc1F)O 271570a_100011290941_100000755031 [1,0,0,0,0,0|2,0,0]=3 699 B10R1.25 C=Cc1ccc(cc1N)Br 271570a_100011290941_100000743836 [1,0,0,0,0,0|3,0,0]=4 700 B10R1.25 C=Cc1ccc(cc1N)C 271570a_100011290941_100011216686 [1,0,0,0,0,0|2,0,0]=3 701 B10R1.25 C=Cc1ccc(cc1N)Cl 271570a_100011290941_100000761886 [1,0,0,0,0,0|3,0,0]=4 702 B10R1.25 C=Cc1ccc(cc1N)F 271570a_100011290941_100011218093 [1,0,0,0,0,0|3,0,0]=4 703 B10R1.25 C=Cc1ccc(cc1N)N 271570a_100011290941_200012175722 [1,0,0,0,0,0|3,0,0]=4 704 B10R1.25 C=Cc1ccc(cc1N)O 271570a_100011290941_100011999798 [1,0,0,0,0,0|2,0,0]=3 705 B10R1.25 C=Cc1ccc(cc1O)Br 271570a_100011290941_100012344904 [1,0,0,0,0,0|2,0,0]=3 706 B10R1.25 C=Cc1ccc(cc1O)C 271570a_100011290941_100012002257 [1,0,0,0,0,0|1,0,0]=2 707 B10R1.25 C=Cc1ccc(cc1O)Cl 271570a_100011290941_100000050036 [1,0,0,0,0,0|2,0,0]=3 708 B10R1.25 C=Cc1ccc(cc1O)F 271570a_100011290941_100000690578 [1,0,0,0,0,0|2,0,0]=3 709 B10R1.25 C=Cc1ccc(cc1O)O 271570a_100011290941_100009813921 [1,0,0,0,0,0|1,0,0]=2 710 B10R1.25 C=Cc1ccc(nc1C)C 271570a_100011290941_100009813853 [1,0,0,0,0,0|3,0,0]=4 711 B10R1.25 C=Cc1ccc(nc1C)O 271570a_100011290941_100000691680 [1,0,0,0,0,0|3,0,0]=4 712 B10R1.25 C=Cc1ccc(nc1F)C 271570a_100011290941_100010006597 [1,0,0,0,0,0|3,0,0]=4 713 B10R1.25 C=Cc1ccc(nc1F)O 271570a_100011290941_100009879308 [1,0,0,0,0,0|3,0,0]=4 714 B10R1.25 C=Cc1ccc(nc1N)C 271570a_100011290941_100009816662 [1,0,0,0,0,0|3,0,0]=4 715 B10R1.25 C=Cc1ccc(nc1O)C 271570a_100011290941_100009817604 [1,0,0,0,0,0|2,0,0]=3 716 B10R1.25 C=Cc1cnc(cc1C)C 271570a_100011290941_100009819613 [1,0,0,0,0,0|3,0,0]=4 717 B10R1.25 C=Cc1cnc(cc1C)O 271570a_100011290941_100010114363 [1,0,0,0,0,0|3,0,0]=4 718 B10R1.25 C=Cc1cnc(cc1N)C 271570a_100011290941_100009817891 [1,0,0,0,0,0|3,0,0]=4 719 B10R1.25 C=Cc1cnc(cc1O)C 271570a_100011290941_100011016184 [1,0,0,0,0,0|2,0,0]=3 720 B10R1.25 C=Cc1ncc(cc1C)C 271570a_100011290941_100009864548 [1,0,0,0,0,0|3,0,0]=4 721 B10R1.25 C=Cc1ncc(cc1C)O 271570a_100011290941_100012000486 [1,0,0,0,0,0|3,0,0]=4 722 B10R1.25 C=Cc1ncc(cc1F)C 271570a_100011290941_100009819633 [1,0,0,0,0,0|3,0,0]=4 723 B10R1.25 C=Cc1ncc(cc1F)O 271570a_100011290941_100000063512 [1,0,0,0,0,0|3,0,0]=4 724 B10R1.25 C=Cc1ncc(cc1N)C 271570a_100011290941_100000733613 [1,0,0,0,0,0|3,0,0]=4 725 B10R1.25 C=Cc1ncc(cc1O)Br 271570a_100011290941_100010210634 [1,0,0,0,0,0|3,0,0]=4 726 B10R1.25 C=Cc1ncc(cc1O)C 271570a_100011290941_100012000487 [1,0,0,0,0,0|2,0,0]=3 727 B10R1.25 C=Cc1ncc(cc1O)Cl 271570a_100011290941_100010233512 [1,0,0,0,0,0|3,0,0]=4 728 B10R1.25 C=Cc1ncc(cc1O)F 271570a_100011290941_100000079967 [1,0,0,0,0,0|3,0,0]=4 729 B10R1.25 CCc1ccc(cc1F)O 271570a_203496583355_200010071577 [1,0,0,0,0,0|2,0,1]=4 730 B10R1.25 CCc1ccc(cc1N)O 271570a_203496583355_100012354963 [1,0,0,0,0,0|2,0,1]=4 731 B10R1.25 CCc1cnc(cc1O)C 271570a_203496583355_100010291839 [1,0,0,0,0,0|2,0,1]=4 732 B10R1.25 CNc1ccc(cc1Br)C 34a_100000210942_200000210301 [1,0,0,0,0,0|3,0,0]=4 733 B10R1.25 CNc1ccc(cc1Br)O 34a_100012001276_200000210301 [1,0,0,0,0,0|3,0,0]=4 734 B10R1.25 CNc1ccc(cc1C)C 34a_100000736561_200000210301 [1,0,0,0,0,0|3,0,0]=4 735 B10R1.25 CNc1ccc(cc1C)C 7a_100000736561_200000210301 [1,0,0,0,0,0|3,0,0]=4 736 B10R1.25 CNc1ccc(cc1C)O 271570a_203496583355_100000221803 [1,0,0,0,0,0|3,0,0]=4 737 B10R1.25 CNc1ccc(cc1C)O 34a_100000756630_200000210301 [1,0,0,0,0,0|3,0,0]=4 738 B10R1.25 CNc1ccc(cc1Cl)C 34a_100000210522_200000210301 [1,0,0,0,0,0|3,0,0]=4 739 B10R1.25 CNc1ccc(cc1Cl)O 34a_100011215599_200000210301 [1,0,0,0,0,0|3,0,0]=4 740 B10R1.25 CNc1ccc(cc1F)C 34a_100000211023_200000210301 [1,0,0,0,0,0|3,0,0]=4 741 B10R1.25 CNc1ccc(cc1F)O 271570a_203496583355_100000743884 [1,0,0,0,0,0|3,0,0]=4 742 B10R1.25 CNc1ccc(cc1F)O 34a_100000759473_200000210301 [1,0,0,0,0,0|3,0,0]=4 743 B10R1.25 CNc1ccc(cc1I)C 34a_100011356834_200000210301 [1,0,0,0,0,0|3,0,0]=4 744 B10R1.25 CNc1ccc(cc1I)O 34a_100010084370_200000210301 [1,0,0,0,0,0|3,0,0]=4 745 B10R1.25 CNc1ccc(cc1N)O 271570a_203496583355_100000741790 [1,0,0,0,0,0|3,0,0]=4 746 B10R1.25 CNc1ccc(cc1O)Br 34a_100000739049_200000210301 [1,0,0,0,0,0|3,0,0]=4 747 B10R1.25 CNc1ccc(cc1O)C 271570a_203496583355_100000221369 [1,0,0,0,0,0|2,0,0]=3 748 B10R1.25 CNc1ccc(cc1O)C 34a_100000211527_200000210301 [1,0,0,0,0,0|2,0,0]=3 749 B10R1.25 CNc1ccc(cc1O)Cl 34a_100000185728_200000210301 [1,0,0,0,0,0|3,0,0]=4 750 B10R1.25 CNc1ccc(cc1O)F 271570a_203496583355_100011246292 [1,0,0,0,0,0|3,0,0]=4 751 B10R1.25 CNc1ccc(cc1O)F 34a_100000753323_200000210301 [1,0,0,0,0,0|3,0,0]=4 752 B10R1.25 CNc1ccc(cc1O)O 34a_100000106777_200000210301 [1,0,0,0,0,0|2,0,0]=3 753 B10R1.25 COc1ccc(cc1Br)C 34a_100000210800_200000210301 [1,0,0,0,0,0|3,0,0]=4 754 B10R1.25 COc1ccc(cc1Br)C 7a_100000210800_200000210301 [1,0,0,0,0,0|3,0,0]=4 755 B10R1.25 COc1ccc(cc1Br)O 271570a_203496583355_100011249507 [1,0,0,0,0,0|3,0,0]=4 756 B10R1.25 COc1ccc(cc1C)C 34a_100000211776_200000210301 [1,0,0,0,0,0|3,0,0]=4 757 B10R1.25 COc1ccc(cc1C)C 7a_100000211776_200000210301 [1,0,0,0,0,0|3,0,0]=4 758 B10R1.25 COc1ccc(cc1C)O 271570a_203496583355_100011219705 [1,0,0,0,0,0|3,0,0]=4 759 B10R1.25 COc1ccc(cc1Cl)C 34a_100000749699_200000210301 [1,0,0,0,0,0|3,0,0]=4 760 B10R1.25 COc1ccc(cc1Cl)C 7a_100000749699_200000210301 [1,0,0,0,0,0|3,0,0]=4 761 B10R1.25 COc1ccc(cc1Cl)O 271570a_203496583355_100012355395 [1,0,0,0,0,0|3,0,0]=4 762 B10R1.25 COc1ccc(cc1F)C 34a_100011216688_200000210301 [1,0,0,0,0,0|3,0,0]=4 763 B10R1.25 COc1ccc(cc1F)C 7a_100011216688_200000210301 [1,0,0,0,0,0|3,0,0]=4 764 B10R1.25 COc1ccc(cc1F)O 271570a_203496583355_100000185480 [1,0,0,0,0,0|3,0,0]=4 765 B10R1.25 COc1ccc(cc1I)C 34a_100000765521_200000210301 [1,0,0,0,0,0|3,0,0]=4 766 B10R1.25 COc1ccc(cc1I)C 7a_100000765521_200000210301 [1,0,0,0,0,0|3,0,0]=4 767 B10R1.25 COc1ccc(cc1N)C 34a_100011215204_200000210301 [1,0,0,0,0,0|3,0,0]=4 768 B10R1.25 COc1ccc(cc1N)C 7a_100011215204_200000210301 [1,0,0,0,0,0|3,0,0]=4 769 B10R1.25 COc1ccc(cc1N)O 271570a_203496583355_100000743470 [1,0,0,0,0,0|3,0,0]=4 770 B10R1.25 COc1ccc(cc1O)Br 271570a_203496583355_100012351588 [1,0,0,0,0,0|3,0,0]=4 771 B10R1.25 COc1ccc(cc1O)C 271570a_203496583355_100000186399 [1,0,0,0,0,0|2,0,0]=3 772 B10R1.25 COc1ccc(cc1O)Cl 271570a_203496583355_100011215930 [1,0,0,0,0,0|3,0,0]=4 773 B10R1.25 COc1ccc(cc1O)F 271570a_203496583355_100000171694 [1,0,0,0,0,0|3,0,0]=4 774 B10R1.25 COc1ccc(cc1O)N 271570a_203496583355_100000187427 [1,0,0,0,0,0|3,0,0]=4 775 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100009816560 [1,0,0,0,0,0|2,0,0]=3 776 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100010084122 [1,0,0,0,0,0|2,0,0]=3 777 B10R1.25 COc1ccc(nc1O)C 271570a_203496583355_100009820875 [1,0,0,0,0,0|3,0,0]=4 778 B10R1.25 COc1cnc(cc1O)C 271570a_203496583355_100010109759 [1,0,0,0,0,0|3,0,0]=4 779 B10R1.25 COc1cnc(cc1O)O 271570a_203496583355_100010264082 [1,0,0,0,0,0|3,0,0]=4 780 B10R1.25 COc1ncc(cc1O)C 271570a_203496583355_100012353929 [1,0,0,0,0,0|3,0,0]=4 781 B10R1.25 COc1ncc(cc1O)O 271570a_203496583355_100010135713 [1,0,0,0,0,0|3,0,0]=4 782 B10R1.25 CSc1ccc(cc1Br)C 62a_100009813563_200000210301 [1,0,0,0,0,0|3,0,0]=4 783 B10R1.25 CSc1ccc(cc1Br)C 62a_200000210301_100009813563 [1,0,0,0,0,0|3,0,0]=4 784 B10R1.25 CSc1ccc(cc1Br)O 62a_100000701344_200000210301 [1,0,0,0,0,0|3,0,0]=4 785 B10R1.25 CSc1ccc(cc1Br)O 62a_200000210301_100000701344 [1,0,0,0,0,0|3,0,0]=4 786 B10R1.25 CSc1ccc(cc1C)C 62a_100011217332_200000210301 [1,0,0,0,0,0|3,0,0]=4 787 B10R1.25 CSc1ccc(cc1C)C 62a_200000210301_100011217332 [1,0,0,0,0,0|3,0,0]=4 788 B10R1.25 CSc1ccc(cc1C)O 62a_200000210301_100000690111 [1,0,0,0,0,0|3,0,0]=4 789 B10R1.25 CSc1ccc(cc1Cl)C 62a_100011263221_200000210301 [1,0,0,0,0,0|3,0,0]=4 790 B10R1.25 CSc1ccc(cc1Cl)C 62a_200000210301_100011263221 [1,0,0,0,0,0|3,0,0]=4 791 B10R1.25 CSc1ccc(cc1Cl)O 271570a_203496583355_206447510565 [1,0,0,0,0,0|3,0,0]=4 792 B10R1.25 CSc1ccc(cc1Cl)O 62a_100000047559_200000210301 [1,0,0,0,0,0|3,0,0]=4 793 B10R1.25 CSc1ccc(cc1Cl)O 62a_200000210301_100000047559 [1,0,0,0,0,0|3,0,0]=4 794 B10R1.25 CSc1ccc(cc1F)C 62a_100011216119_200000210301 [1,0,0,0,0,0|3,0,0]=4 795 B10R1.25 CSc1ccc(cc1F)C 62a_200000210301_100011216119 [1,0,0,0,0,0|3,0,0]=4 796 B10R1.25 CSc1ccc(cc1F)O 271570a_203496583355_100010161220 [1,0,0,0,0,0|3,0,0]=4 797 B10R1.25 CSc1ccc(cc1F)O 62a_100000755031_200000210301 [1,0,0,0,0,0|3,0,0]=4 798 B10R1.25 CSc1ccc(cc1F)O 62a_200000210301_100000755031 [1,0,0,0,0,0|3,0,0]=4 799 B10R1.25 CSc1ccc(cc1N)C 62a_100011216686_200000210301 [1,0,0,0,0,0|3,0,0]=4 800 B10R1.25 CSc1ccc(cc1N)C 62a_200000210301_100011216686 [1,0,0,0,0,0|3,0,0]=4 801 B10R1.25 CSc1ccc(cc1N)O 62a_100011999798_200000210301 [1,0,0,0,0,0|3,0,0]=4 802 B10R1.25 CSc1ccc(cc1N)O 62a_200000210301_100011999798 [1,0,0,0,0,0|3,0,0]=4 803 B10R1.25 CSc1ccc(cc1O)Br 62a_100012344904_200000210301 [1,0,0,0,0,0|3,0,0]=4 804 B10R1.25 CSc1ccc(cc1O)Br 62a_200000210301_100012344904 [1,0,0,0,0,0|3,0,0]=4 805 B10R1.25 CSc1ccc(cc1O)C 271570a_203496583355_200010201864 [1,0,0,0,0,0|2,0,0]=3 806 B10R1.25 CSc1ccc(cc1O)C 62a_100012002257_200000210301 [1,0,0,0,0,0|2,0,0]=3 807 B10R1.25 CSc1ccc(cc1O)C 62a_200000210301_100012002257 [1,0,0,0,0,0|2,0,0]=3 808 B10R1.25 CSc1ccc(cc1O)Cl 62a_100000050036_200000210301 [1,0,0,0,0,0|3,0,0]=4 809 B10R1.25 CSc1ccc(cc1O)Cl 62a_200000210301_100000050036 [1,0,0,0,0,0|3,0,0]=4 810 B10R1.25 CSc1ccc(cc1O)F 271570a_203496583355_100009817003 [1,0,0,0,0,0|3,0,0]=4 811 B10R1.25 CSc1ccc(cc1O)F 62a_100000690578_200000210301 [1,0,0,0,0,0|3,0,0]=4 812 B10R1.25 CSc1ccc(cc1O)F 62a_200000210301_100000690578 [1,0,0,0,0,0|3,0,0]=4 813 B10R1.25 CSc1ccc(cc1O)O 62a_200000210301_100009813921 [1,0,0,0,0,0|2,0,0]=3 814 B10R1.25 CSc1ccc(nc1O)C 62a_100009817604_200000210301 [1,0,0,0,0,0|3,0,0]=4 815 B10R1.25 CSc1ccc(nc1O)C 62a_200000210301_100009817604 [1,0,0,0,0,0|3,0,0]=4 816 B10R1.25 CSc1cnc(cc1O)C 62a_100011016184_200000210301 [1,0,0,0,0,0|3,0,0]=4 817 B10R1.25 CSc1cnc(cc1O)C 62a_200000210301_100011016184 [1,0,0,0,0,0|3,0,0]=4 818 B10R1.25 CSc1ncc(cc1O)C 62a_200000210301_100012000487 [1,0,0,0,0,0|3,0,0]=4 819 B10R1.25 Cc1cc(c(cn1)S[13CH3])O 62a_100011016184_200025704644 [1,0,0,0,0,0|3,0,0]=4 820 B10R1.25 Cc1cc(c(cn1)S[13CH3])O 62a_200025704644_100011016184 [1,0,0,0,0,0|3,0,0]=4 821 B10R1.25 Cc1cc(ccc1C#N)O 271570a_203496583355_100000687762 [1,0,0,0,0,0|2,0,1]=4 822 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,0,0,0,0,0|1,0,0]=2 823 B10R1.25 Cc1cc(ccc1CF)O 271570a_203496583355_200010711859 [1,0,0,0,0,0|2,0,1]=4 824 B10R1.25 Cc1cc(ccc1CN)O 271570a_203496583355_100000753881 [1,0,0,0,0,0|2,0,1]=4 825 B10R1.25 Cc1cc(ccc1CO)O 271570a_203496583355_100000748258 [1,0,0,0,0,0|1,0,2]=4 826 B10R1.25 Cc1cc(ccc1NN)O 271570a_203496583355_100000751375 [1,0,0,0,0,0|3,0,0]=4 827 B10R1.25 Cc1cc(ccc1N[13CH3])O 34a_100000756630_200025704644 [1,0,0,0,0,0|3,0,0]=4 828 B10R1.25 Cc1cc(ccc1S[13CH3])O 62a_200025704644_100000690111 [1,0,0,0,0,0|3,0,0]=4 829 B10R1.25 Cc1cc(cnc1C=O)O 271570a_203496583355_100010185443 [1,0,0,0,0,0|2,0,0]=3 830 B10R1.25 Cc1cc(ncc1C=O)O 271570a_203496583355_100000085382 [1,0,0,0,0,0|2,0,0]=3 831 B10R1.25 Cc1ccc(c(c1)Br)N[13CH3] 34a_100000210942_200025704644 [1,0,0,0,0,0|3,0,0]=4 832 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 34a_100000210800_200025704644 [1,0,0,0,0,0|3,0,0]=4 833 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 7a_100000210800_200025704644 [1,0,0,0,0,0|3,0,0]=4 834 B10R1.25 Cc1ccc(c(c1)Br)S[13CH3] 62a_100009813563_200025704644 [1,0,0,0,0,0|3,0,0]=4 835 B10R1.25 Cc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100009813563 [1,0,0,0,0,0|3,0,0]=4 836 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 34a_100000736561_200025704644 [1,0,0,0,0,0|3,0,0]=4 837 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 7a_100000736561_200025704644 [1,0,0,0,0,0|3,0,0]=4 838 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 34a_100000211776_200025704644 [1,0,0,0,0,0|3,0,0]=4 839 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 7a_100000211776_200025704644 [1,0,0,0,0,0|3,0,0]=4 840 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_100011217332_200025704644 [1,0,0,0,0,0|3,0,0]=4 841 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011217332 [1,0,0,0,0,0|3,0,0]=4 842 B10R1.25 Cc1ccc(c(c1)Cl)N[13CH3] 34a_100000210522_200025704644 [1,0,0,0,0,0|3,0,0]=4 843 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 34a_100000749699_200025704644 [1,0,0,0,0,0|3,0,0]=4 844 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 7a_100000749699_200025704644 [1,0,0,0,0,0|3,0,0]=4 845 B10R1.25 Cc1ccc(c(c1)Cl)S[13CH3] 62a_100011263221_200025704644 [1,0,0,0,0,0|3,0,0]=4 846 B10R1.25 Cc1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100011263221 [1,0,0,0,0,0|3,0,0]=4 847 B10R1.25 Cc1ccc(c(c1)F)N[13CH3] 34a_100000211023_200025704644 [1,0,0,0,0,0|3,0,0]=4 848 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 34a_100011216688_200025704644 [1,0,0,0,0,0|3,0,0]=4 849 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 7a_100011216688_200025704644 [1,0,0,0,0,0|3,0,0]=4 850 B10R1.25 Cc1ccc(c(c1)F)S[13CH3] 62a_100011216119_200025704644 [1,0,0,0,0,0|3,0,0]=4 851 B10R1.25 Cc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100011216119 [1,0,0,0,0,0|3,0,0]=4 852 B10R1.25 Cc1ccc(c(c1)I)N[13CH3] 34a_100011356834_200025704644 [1,0,0,0,0,0|3,0,0]=4 853 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 34a_100000765521_200025704644 [1,0,0,0,0,0|3,0,0]=4 854 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 7a_100000765521_200025704644 [1,0,0,0,0,0|3,0,0]=4 855 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 34a_100011215204_200025704644 [1,0,0,0,0,0|3,0,0]=4 856 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 7a_100011215204_200025704644 [1,0,0,0,0,0|3,0,0]=4 857 B10R1.25 Cc1ccc(c(c1)N)S[13CH3] 62a_100011216686_200025704644 [1,0,0,0,0,0|3,0,0]=4 858 B10R1.25 Cc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011216686 [1,0,0,0,0,0|3,0,0]=4 859 B10R1.25 Cc1ccc(c(c1)O)C#N 271570a_203496583355_100000693804 [1,0,0,0,0,0|1,0,1]=3 860 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [1,0,0,0,0,0|0,0,0]=1 861 B10R1.25 Cc1ccc(c(c1)O)NN 271570a_203496583355_100016996181 [1,0,0,0,0,0|2,0,0]=3 862 B10R1.25 Cc1ccc(c(c1)O)N[13CH3] 34a_100000211527_200025704644 [1,0,0,0,0,0|2,0,0]=3 863 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_100012002257_200025704644 [1,0,0,0,0,0|2,0,0]=3 864 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012002257 [1,0,0,0,0,0|2,0,0]=3 865 B10R1.25 Cc1ccc(c(n1)O)C#N 271570a_203496583355_100000741175 [1,0,0,0,0,0|2,0,1]=4 866 B10R1.25 Cc1ccc(c(n1)O)C=O 271570a_203496583355_100000085379 [1,0,0,0,0,0|1,0,0]=2 867 B10R1.25 Cc1ccc(c(n1)O)CO 271570a_203496583355_102495338573 [1,0,0,0,0,0|1,0,2]=4 868 B10R1.25 Cc1ccc(c(n1)O)S[13CH3] 62a_100009817604_200025704644 [1,0,0,0,0,0|3,0,0]=4 869 B10R1.25 Cc1ccc(c(n1)O)S[13CH3] 62a_200025704644_100009817604 [1,0,0,0,0,0|3,0,0]=4 870 B10R1.25 Cc1cnc(c(c1)O)C#N 271570a_203496583355_100009874213 [1,0,0,0,0,0|2,0,1]=4 871 B10R1.25 Cc1cnc(c(c1)O)NN 271570a_203496583355_100012357580 [1,0,0,0,0,0|3,0,0]=4 872 B10R1.25 Cc1cnc(c(c1)O)S[13CH3] 62a_200025704644_100012000487 [1,0,0,0,0,0|3,0,0]=4 873 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [1,0,0,0,0,0|2,0,0]=3 874 B10R1.25 N#Cc1ccc(cc1Br)O 271570a_203496583355_100012349582 [1,0,0,0,0,0|2,0,1]=4 875 B10R1.25 N#Cc1ccc(cc1Cl)O 271570a_203496583355_100012349662 [1,0,0,0,0,0|2,0,1]=4 876 B10R1.25 N#Cc1ccc(cc1F)O 271570a_203496583355_100000037869 [1,0,0,0,0,0|2,0,1]=4 877 B10R1.25 N#Cc1ccc(cc1N)O 271570a_203496583355_100000699244 [1,0,0,0,0,0|2,0,1]=4 878 B10R1.25 N#Cc1ccc(cc1O)Br 271570a_203496583355_100010214477 [1,0,0,0,0,0|2,0,1]=4 879 B10R1.25 N#Cc1ccc(cc1O)Cl 271570a_203496583355_100012355178 [1,0,0,0,0,0|2,0,1]=4 880 B10R1.25 N#Cc1ccc(cc1O)F 271570a_203496583355_100000747196 [1,0,0,0,0,0|2,0,1]=4 881 B10R1.25 N#Cc1ccc(cc1O)N 271570a_203496583355_100000689153 [1,0,0,0,0,0|2,0,1]=4 882 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100011934713 [1,0,0,0,0,0|1,0,1]=3 883 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100012184851 [1,0,0,0,0,0|1,0,1]=3 884 B10R1.25 N#Cc1ncc(cc1O)O 271570a_203496583355_200013853302 [1,0,0,0,0,0|2,0,1]=4 885 B10R1.25 N#Cc1ncc(cc1O)O 271570a_203496583355_200015293162 [1,0,0,0,0,0|2,0,1]=4 886 B10R1.25 NCc1ccc(cc1F)O 271570a_203496583355_100000754580 [1,0,0,0,0,0|2,0,1]=4 887 B10R1.25 NCc1ccc(cc1O)F 271570a_203496583355_100000708791 [1,0,0,0,0,0|2,0,1]=4 888 B10R1.25 NNc1ccc(cc1F)O 271570a_203496583355_100000751572 [1,0,0,0,0,0|3,0,0]=4 889 B10R1.25 Nc1cc(ccc1C=O)O 271570a_203496583355_100009814810 [1,0,0,0,0,0|1,0,0]=2 890 B10R1.25 Nc1cc(ccc1CO)O 271570a_203496583355_100000718831 [1,0,0,0,0,0|1,0,2]=4 891 B10R1.25 O=Cc1ccc(cc1Br)O 271570a_203496583355_100010185650 [1,0,0,0,0,0|1,0,0]=2 892 B10R1.25 O=Cc1ccc(cc1Cl)O 271570a_203496583355_100000727542 [1,0,0,0,0,0|1,0,0]=2 893 B10R1.25 O=Cc1ccc(cc1F)O 271570a_203496583355_100000211676 [1,0,0,0,0,0|1,0,0]=2 894 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [1,0,0,0,0,0|1,0,0]=2 895 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [1,0,0,0,0,0|1,0,0]=2 896 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [1,0,0,0,0,0|0,0,0]=1 897 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [1,0,0,0,0,0|0,0,0]=1 898 B10R1.25 O=Cc1ccc(nc1F)O 271570a_203496583355_100010064369 [1,0,0,0,0,0|2,0,0]=3 899 B10R1.25 O=Cc1ccc(nc1O)F 271570a_203496583355_100009846357 [1,0,0,0,0,0|2,0,0]=3 900 B10R1.25 O=Cc1cnc(cc1O)F 271570a_203496583355_100009862493 [1,0,0,0,0,0|2,0,0]=3 901 B10R1.25 O=Cc1ncc(cc1F)O 271570a_203496583355_100010180630 [1,0,0,0,0,0|2,0,0]=3 902 B10R1.25 OCc1ccc(cc1Br)O 271570a_203496583355_100010240206 [1,0,0,0,0,0|1,0,2]=4 903 B10R1.25 OCc1ccc(cc1F)O 271570a_203496583355_100011191541 [1,0,0,0,0,0|1,0,2]=4 904 B10R1.25 OCc1ccc(cc1O)Br 271570a_203496583355_100010146605 [1,0,0,0,0,0|1,0,2]=4 905 B10R1.25 OCc1ccc(cc1O)Cl 271570a_203496583355_100000722340 [1,0,0,0,0,0|1,0,2]=4 906 B10R1.25 OCc1ccc(cc1O)F 271570a_203496583355_100000744086 [1,0,0,0,0,0|1,0,2]=4 907 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100000071718 [1,0,0,0,0,0|0,0,2]=3 908 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100010146404 [1,0,0,0,0,0|0,0,2]=3 909 B10R1.25 [13CH3]Nc1ccc(cc1Br)O 34a_100012001276_200025704644 [1,0,0,0,0,0|3,0,0]=4 910 B10R1.25 [13CH3]Nc1ccc(cc1Cl)O 34a_100011215599_200025704644 [1,0,0,0,0,0|3,0,0]=4 911 B10R1.25 [13CH3]Nc1ccc(cc1F)O 34a_100000759473_200025704644 [1,0,0,0,0,0|3,0,0]=4 912 B10R1.25 [13CH3]Nc1ccc(cc1I)O 34a_100010084370_200025704644 [1,0,0,0,0,0|3,0,0]=4 913 B10R1.25 [13CH3]Nc1ccc(cc1O)Br 34a_100000739049_200025704644 [1,0,0,0,0,0|3,0,0]=4 914 B10R1.25 [13CH3]Nc1ccc(cc1O)Cl 34a_100000185728_200025704644 [1,0,0,0,0,0|3,0,0]=4 915 B10R1.25 [13CH3]Nc1ccc(cc1O)F 34a_100000753323_200025704644 [1,0,0,0,0,0|3,0,0]=4 916 B10R1.25 [13CH3]Nc1ccc(cc1O)O 34a_100000106777_200025704644 [1,0,0,0,0,0|2,0,0]=3 917 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_100000701344_200025704644 [1,0,0,0,0,0|3,0,0]=4 918 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_200025704644_100000701344 [1,0,0,0,0,0|3,0,0]=4 919 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_100000047559_200025704644 [1,0,0,0,0,0|3,0,0]=4 920 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_200025704644_100000047559 [1,0,0,0,0,0|3,0,0]=4 921 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_100000755031_200025704644 [1,0,0,0,0,0|3,0,0]=4 922 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_200025704644_100000755031 [1,0,0,0,0,0|3,0,0]=4 923 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_100011999798_200025704644 [1,0,0,0,0,0|3,0,0]=4 924 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_200025704644_100011999798 [1,0,0,0,0,0|3,0,0]=4 925 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_100012344904_200025704644 [1,0,0,0,0,0|3,0,0]=4 926 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_200025704644_100012344904 [1,0,0,0,0,0|3,0,0]=4 927 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_100000050036_200025704644 [1,0,0,0,0,0|3,0,0]=4 928 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_200025704644_100000050036 [1,0,0,0,0,0|3,0,0]=4 929 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_100000690578_200025704644 [1,0,0,0,0,0|3,0,0]=4 930 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_200025704644_100000690578 [1,0,0,0,0,0|3,0,0]=4 931 B10R1.25 [13CH3]Sc1ccc(cc1O)O 62a_200025704644_100009813921 [1,0,0,0,0,0|2,0,0]=3 932 B10R1.176 C=Cc1c[nH]c(=O)c(c1)O 271570a_100011290941_100009814561 [1,0,0,0,0,0|2,0,1]=4 933 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [1,0,0,0,0,0|2,0,1]=4 934 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [1,0,0,0,0,0|1,0,2]=4 935 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [1,0,0,0,0,0|2,0,1]=4 936 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [1,0,0,0,0,0|2,0,1]=4 937 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [1,0,0,0,0,0|2,0,1]=4 938 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [1,0,0,0,0,0|1,0,2]=4 939 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [1,0,0,0,0,0|2,0,1]=4 940 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [1,0,0,0,0,0|2,0,1]=4 941 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [1,0,0,0,0,0|2,0,0]=3 942 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [1,0,0,0,0,0|2,0,0]=3 943 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [1,0,0,0,0,0|1,0,1]=3 944 B10R1.176 CNc1ccc(c(c1)Br)Br 2230a_100011306057_200000210301 [1,0,0,0,0,0|3,0,0]=4 945 B10R1.176 CNc1ccc(c(c1)Br)Br 34a_100011306057_200000210301 [1,0,0,0,0,0|3,0,0]=4 946 B10R1.176 CNc1ccc(c(c1)Br)Br 7a_100011306057_200000210301 [1,0,0,0,0,0|3,0,0]=4 947 B10R1.176 CNc1ccc(c(c1)Br)C 2230a_100000736455_200000210301 [1,0,0,0,0,0|2,0,1]=4 948 B10R1.176 CNc1ccc(c(c1)Br)C 34a_100000736455_200000210301 [1,0,0,0,0,0|2,0,1]=4 949 B10R1.176 CNc1ccc(c(c1)Br)C 7a_100000736455_200000210301 [1,0,0,0,0,0|2,0,1]=4 950 B10R1.176 CNc1ccc(c(c1)Br)Cl 2230a_100000686031_200000210301 [1,0,0,0,0,0|3,0,0]=4 951 B10R1.176 CNc1ccc(c(c1)Br)Cl 34a_100000686031_200000210301 [1,0,0,0,0,0|3,0,0]=4 952 B10R1.176 CNc1ccc(c(c1)Br)F 2230a_100000760356_200000210301 [1,0,0,0,0,0|3,0,0]=4 953 B10R1.176 CNc1ccc(c(c1)Br)F 34a_100000760356_200000210301 [1,0,0,0,0,0|3,0,0]=4 954 B10R1.176 CNc1ccc(c(c1)Br)F 7a_100000760356_200000210301 [1,0,0,0,0,0|3,0,0]=4 955 B10R1.176 CNc1ccc(c(c1)Br)I 34a_100000750458_200000210301 [1,0,0,0,0,0|3,0,0]=4 956 B10R1.176 CNc1ccc(c(c1)Br)O 34a_100011534360_200000210301 [1,0,0,0,0,0|2,0,1]=4 957 B10R1.176 CNc1ccc(c(c1)C)Br 2230a_100000210723_200000210301 [1,0,0,0,0,0|3,0,0]=4 958 B10R1.176 CNc1ccc(c(c1)C)Br 34a_100000210723_200000210301 [1,0,0,0,0,0|3,0,0]=4 959 B10R1.176 CNc1ccc(c(c1)C)Br 7a_100000210723_200000210301 [1,0,0,0,0,0|3,0,0]=4 960 B10R1.176 CNc1ccc(c(c1)C)C 2230a_100000724040_200000210301 [1,0,0,0,0,0|2,0,1]=4 961 B10R1.176 CNc1ccc(c(c1)C)C 34a_100000724040_200000210301 [1,0,0,0,0,0|2,0,1]=4 962 B10R1.176 CNc1ccc(c(c1)C)C 7a_100000724040_200000210301 [1,0,0,0,0,0|2,0,1]=4 963 B10R1.176 CNc1ccc(c(c1)C)Cl 2230a_100000187808_200000210301 [1,0,0,0,0,0|3,0,0]=4 964 B10R1.176 CNc1ccc(c(c1)C)Cl 34a_100000187808_200000210301 [1,0,0,0,0,0|3,0,0]=4 965 B10R1.176 CNc1ccc(c(c1)C)Cl 7a_100000187808_200000210301 [1,0,0,0,0,0|3,0,0]=4 966 B10R1.176 CNc1ccc(c(c1)C)F 2230a_100000750164_200000210301 [1,0,0,0,0,0|3,0,0]=4 967 B10R1.176 CNc1ccc(c(c1)C)F 34a_100000750164_200000210301 [1,0,0,0,0,0|3,0,0]=4 968 B10R1.176 CNc1ccc(c(c1)C)F 7a_100000750164_200000210301 [1,0,0,0,0,0|3,0,0]=4 969 B10R1.176 CNc1ccc(c(c1)C)I 34a_100000198070_200000210301 [1,0,0,0,0,0|3,0,0]=4 970 B10R1.176 CNc1ccc(c(c1)C)I 7a_100000198070_200000210301 [1,0,0,0,0,0|3,0,0]=4 971 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [1,0,0,0,0,0|2,0,1]=4 972 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [1,0,0,0,0,0|2,0,1]=4 973 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [1,0,0,0,0,0|2,0,1]=4 974 B10R1.176 CNc1ccc(c(c1)Cl)Br 2230a_100000687081_200000210301 [1,0,0,0,0,0|3,0,0]=4 975 B10R1.176 CNc1ccc(c(c1)Cl)Br 34a_100000687081_200000210301 [1,0,0,0,0,0|3,0,0]=4 976 B10R1.176 CNc1ccc(c(c1)Cl)Br 7a_100000687081_200000210301 [1,0,0,0,0,0|3,0,0]=4 977 B10R1.176 CNc1ccc(c(c1)Cl)C 2230a_100000188892_200000210301 [1,0,0,0,0,0|2,0,1]=4 978 B10R1.176 CNc1ccc(c(c1)Cl)C 34a_100000188892_200000210301 [1,0,0,0,0,0|2,0,1]=4 979 B10R1.176 CNc1ccc(c(c1)Cl)C 7a_100000188892_200000210301 [1,0,0,0,0,0|2,0,1]=4 980 B10R1.176 CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_200000210301 [1,0,0,0,0,0|3,0,0]=4 981 B10R1.176 CNc1ccc(c(c1)Cl)Cl 34a_100000184108_200000210301 [1,0,0,0,0,0|3,0,0]=4 982 B10R1.176 CNc1ccc(c(c1)Cl)F 2230a_100000211060_200000210301 [1,0,0,0,0,0|3,0,0]=4 983 B10R1.176 CNc1ccc(c(c1)Cl)F 34a_100000211060_200000210301 [1,0,0,0,0,0|3,0,0]=4 984 B10R1.176 CNc1ccc(c(c1)Cl)F 7a_100000211060_200000210301 [1,0,0,0,0,0|3,0,0]=4 985 B10R1.176 CNc1ccc(c(c1)Cl)I 34a_100000761885_200000210301 [1,0,0,0,0,0|3,0,0]=4 986 B10R1.176 CNc1ccc(c(c1)Cl)O 34a_100000744943_200000210301 [1,0,0,0,0,0|2,0,1]=4 987 B10R1.176 CNc1ccc(c(c1)F)Br 2230a_100000759894_200000210301 [1,0,0,0,0,0|3,0,0]=4 988 B10R1.176 CNc1ccc(c(c1)F)Br 34a_100000759894_200000210301 [1,0,0,0,0,0|3,0,0]=4 989 B10R1.176 CNc1ccc(c(c1)F)Br 7a_100000759894_200000210301 [1,0,0,0,0,0|3,0,0]=4 990 B10R1.176 CNc1ccc(c(c1)F)C 2230a_100000210958_200000210301 [1,0,0,0,0,0|2,0,1]=4 991 B10R1.176 CNc1ccc(c(c1)F)C 34a_100000210958_200000210301 [1,0,0,0,0,0|2,0,1]=4 992 B10R1.176 CNc1ccc(c(c1)F)C 7a_100000210958_200000210301 [1,0,0,0,0,0|2,0,1]=4 993 B10R1.176 CNc1ccc(c(c1)F)Cl 2230a_100000739366_200000210301 [1,0,0,0,0,0|3,0,0]=4 994 B10R1.176 CNc1ccc(c(c1)F)Cl 34a_100000739366_200000210301 [1,0,0,0,0,0|3,0,0]=4 995 B10R1.176 CNc1ccc(c(c1)F)Cl 7a_100000739366_200000210301 [1,0,0,0,0,0|3,0,0]=4 996 B10R1.176 CNc1ccc(c(c1)F)F 2230a_100000210724_200000210301 [1,0,0,0,0,0|3,0,0]=4 997 B10R1.176 CNc1ccc(c(c1)F)F 34a_100000210724_200000210301 [1,0,0,0,0,0|3,0,0]=4 998 B10R1.176 CNc1ccc(c(c1)F)F 7a_100000210724_200000210301 [1,0,0,0,0,0|3,0,0]=4 999 B10R1.176 CNc1ccc(c(c1)F)I 34a_100011356925_200000210301 [1,0,0,0,0,0|3,0,0]=4 1000 B10R1.176 CNc1ccc(c(c1)F)I 7a_100011356925_200000210301 [1,0,0,0,0,0|3,0,0]=4 1001 B10R1.176 CNc1ccc(c(c1)F)O 271570a_203496583355_100012285320 [1,0,0,0,0,0|2,0,1]=4 1002 B10R1.176 CNc1ccc(c(c1)F)O 34a_100011220035_200000210301 [1,0,0,0,0,0|2,0,1]=4 1003 B10R1.176 CNc1ccc(c(c1)F)O 7a_100011220035_200000210301 [1,0,0,0,0,0|2,0,1]=4 1004 B10R1.176 CNc1ccc(c(c1)I)Br 34a_100000750459_200000210301 [1,0,0,0,0,0|3,0,0]=4 1005 B10R1.176 CNc1ccc(c(c1)I)C 34a_100000184131_200000210301 [1,0,0,0,0,0|2,0,1]=4 1006 B10R1.176 CNc1ccc(c(c1)I)C 7a_100000184131_200000210301 [1,0,0,0,0,0|2,0,1]=4 1007 B10R1.176 CNc1ccc(c(c1)I)Cl 34a_100012360549_200000210301 [1,0,0,0,0,0|3,0,0]=4 1008 B10R1.176 CNc1ccc(c(c1)I)F 34a_114828291077_200000210301 [1,0,0,0,0,0|3,0,0]=4 1009 B10R1.176 CNc1ccc(c(c1)I)F 7a_114828291077_200000210301 [1,0,0,0,0,0|3,0,0]=4 1010 B10R1.176 CNc1ccc(c(c1)O)C 271570a_203496583355_100000707694 [1,0,0,0,0,0|1,0,1]=3 1011 B10R1.176 CNc1ccc(c(c1)O)C 34a_100000759471_200000210301 [1,0,0,0,0,0|1,0,1]=3 1012 B10R1.176 CNc1ccc(c(c1)O)C 7a_100000759471_200000210301 [1,0,0,0,0,0|1,0,1]=3 1013 B10R1.176 CNc1ccc(c(c1)O)Cl 34a_100011934209_200000210301 [1,0,0,0,0,0|2,0,0]=3 1014 B10R1.176 CNc1ccc(c(c1)O)F 34a_100012017398_200000210301 [1,0,0,0,0,0|2,0,0]=3 1015 B10R1.176 CNc1ccc(c(c1)O)F 7a_100012017398_200000210301 [1,0,0,0,0,0|2,0,0]=3 1016 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [1,0,0,0,0,0|1,0,1]=3 1017 B10R1.176 COc1cc(c(cn1)Br)C 34a_100000766222_200000210301 [1,0,0,0,0,0|3,0,0]=4 1018 B10R1.176 COc1cc(c(cn1)Br)Cl 34a_100010369989_200000210301 [1,0,0,0,0,0|3,0,0]=4 1019 B10R1.176 COc1cc(c(cn1)C)Br 34a_100009831917_200000210301 [1,0,0,0,0,0|2,0,1]=4 1020 B10R1.176 COc1cc(c(cn1)C)O 271570a_203496583355_100010068546 [1,0,0,0,0,0|1,0,1]=3 1021 B10R1.176 COc1cc(c(cn1)Cl)C 34a_200000085746_200000210301 [1,0,0,0,0,0|3,0,0]=4 1022 B10R1.176 COc1cc(c(cn1)Cl)Cl 34a_200000099200_200000210301 [1,0,0,0,0,0|3,0,0]=4 1023 B10R1.176 COc1cc(c(cn1)Cl)O 271570a_203496583355_100010068019 [1,0,0,0,0,0|2,0,0]=3 1024 B10R1.176 COc1cc(c(cn1)F)O 271570a_203496583355_100010160775 [1,0,0,0,0,0|2,0,0]=3 1025 B10R1.176 COc1cc(c(cn1)O)C 271570a_203496583355_100011934368 [1,0,0,0,0,0|2,0,1]=4 1026 B10R1.176 COc1cc(c(cn1)O)F 271570a_203496583355_100010136277 [1,0,0,0,0,0|2,0,1]=4 1027 B10R1.176 COc1cc(c(cn1)O)N 271570a_203496583355_100010254562 [1,0,0,0,0,0|2,0,1]=4 1028 B10R1.176 COc1cc(c(cn1)O)O 271570a_203496583355_100010738159 [1,0,0,0,0,0|1,0,1]=3 1029 B10R1.176 COc1ccc(c(c1)Br)C 34a_100011380479_200000210301 [1,0,0,0,0,0|1,0,1]=3 1030 B10R1.176 COc1ccc(c(c1)Br)C 7a_100011380479_200000210301 [1,0,0,0,0,0|1,0,1]=3 1031 B10R1.176 COc1ccc(c(c1)Br)Cl 34a_100011933957_200000210301 [1,0,0,0,0,0|2,0,0]=3 1032 B10R1.176 COc1ccc(c(c1)Br)Cl 7a_100011933957_200000210301 [1,0,0,0,0,0|2,0,0]=3 1033 B10R1.176 COc1ccc(c(c1)Br)F 34a_100000693481_200000210301 [1,0,0,0,0,0|2,0,0]=3 1034 B10R1.176 COc1ccc(c(c1)Br)F 7a_100000693481_200000210301 [1,0,0,0,0,0|2,0,0]=3 1035 B10R1.176 COc1ccc(c(c1)Br)I 34a_100000701344_200000210301 [1,0,0,0,0,0|2,0,0]=3 1036 B10R1.176 COc1ccc(c(c1)Br)I 7a_100000701344_200000210301 [1,0,0,0,0,0|2,0,0]=3 1037 B10R1.176 COc1ccc(c(c1)Br)N 34a_100012001276_200000210301 [1,0,0,0,0,0|2,0,0]=3 1038 B10R1.176 COc1ccc(c(c1)Br)N 7a_100012001276_200000210301 [1,0,0,0,0,0|2,0,0]=3 1039 B10R1.176 COc1ccc(c(c1)Br)O 271570a_203496583355_100012349170 [1,0,0,0,0,0|1,0,1]=3 1040 B10R1.176 COc1ccc(c(c1)C)Br 34a_100000690111_200000210301 [1,0,0,0,0,0|2,0,0]=3 1041 B10R1.176 COc1ccc(c(c1)C)Br 7a_100000690111_200000210301 [1,0,0,0,0,0|2,0,0]=3 1042 B10R1.176 COc1ccc(c(c1)C)C 34a_100000210932_200000210301 [1,0,0,0,0,0|1,0,1]=3 1043 B10R1.176 COc1ccc(c(c1)C)C 7a_100000210932_200000210301 [1,0,0,0,0,0|1,0,1]=3 1044 B10R1.176 COc1ccc(c(c1)C)Cl 34a_100000211092_200000210301 [1,0,0,0,0,0|2,0,0]=3 1045 B10R1.176 COc1ccc(c(c1)C)Cl 7a_100000211092_200000210301 [1,0,0,0,0,0|2,0,0]=3 1046 B10R1.176 COc1ccc(c(c1)C)F 34a_100000751312_200000210301 [1,0,0,0,0,0|2,0,0]=3 1047 B10R1.176 COc1ccc(c(c1)C)F 7a_100000751312_200000210301 [1,0,0,0,0,0|2,0,0]=3 1048 B10R1.176 COc1ccc(c(c1)C)I 34a_100000729255_200000210301 [1,0,0,0,0,0|2,0,0]=3 1049 B10R1.176 COc1ccc(c(c1)C)I 7a_100000729255_200000210301 [1,0,0,0,0,0|2,0,0]=3 1050 B10R1.176 COc1ccc(c(c1)C)N 34a_100000756630_200000210301 [1,0,0,0,0,0|2,0,0]=3 1051 B10R1.176 COc1ccc(c(c1)C)N 7a_100000756630_200000210301 [1,0,0,0,0,0|2,0,0]=3 1052 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [1,0,0,0,0,0|1,0,1]=3 1053 B10R1.176 COc1ccc(c(c1)Cl)Br 34a_100011215161_200000210301 [1,0,0,0,0,0|2,0,0]=3 1054 B10R1.176 COc1ccc(c(c1)Cl)Br 7a_100011215161_200000210301 [1,0,0,0,0,0|2,0,0]=3 1055 B10R1.176 COc1ccc(c(c1)Cl)C 34a_100011265682_200000210301 [1,0,0,0,0,0|1,0,1]=3 1056 B10R1.176 COc1ccc(c(c1)Cl)C 7a_100011265682_200000210301 [1,0,0,0,0,0|1,0,1]=3 1057 B10R1.176 COc1ccc(c(c1)Cl)Cl 34a_100000211054_200000210301 [1,0,0,0,0,0|2,0,0]=3 1058 B10R1.176 COc1ccc(c(c1)Cl)Cl 7a_100000211054_200000210301 [1,0,0,0,0,0|2,0,0]=3 1059 B10R1.176 COc1ccc(c(c1)Cl)F 34a_100000211030_200000210301 [1,0,0,0,0,0|2,0,0]=3 1060 B10R1.176 COc1ccc(c(c1)Cl)F 7a_100000211030_200000210301 [1,0,0,0,0,0|2,0,0]=3 1061 B10R1.176 COc1ccc(c(c1)Cl)I 34a_100000047559_200000210301 [1,0,0,0,0,0|2,0,0]=3 1062 B10R1.176 COc1ccc(c(c1)Cl)I 7a_100000047559_200000210301 [1,0,0,0,0,0|2,0,0]=3 1063 B10R1.176 COc1ccc(c(c1)Cl)N 34a_100011215599_200000210301 [1,0,0,0,0,0|2,0,0]=3 1064 B10R1.176 COc1ccc(c(c1)Cl)N 7a_100011215599_200000210301 [1,0,0,0,0,0|2,0,0]=3 1065 B10R1.176 COc1ccc(c(c1)F)Br 34a_100000755031_200000210301 [1,0,0,0,0,0|2,0,0]=3 1066 B10R1.176 COc1ccc(c(c1)F)Br 7a_100000755031_200000210301 [1,0,0,0,0,0|2,0,0]=3 1067 B10R1.176 COc1ccc(c(c1)F)C 34a_100000722560_200000210301 [1,0,0,0,0,0|1,0,1]=3 1068 B10R1.176 COc1ccc(c(c1)F)C 7a_100000722560_200000210301 [1,0,0,0,0,0|1,0,1]=3 1069 B10R1.176 COc1ccc(c(c1)F)Cl 34a_100000691581_200000210301 [1,0,0,0,0,0|2,0,0]=3 1070 B10R1.176 COc1ccc(c(c1)F)Cl 7a_100000691581_200000210301 [1,0,0,0,0,0|2,0,0]=3 1071 B10R1.176 COc1ccc(c(c1)F)F 34a_100000181275_200000210301 [1,0,0,0,0,0|2,0,0]=3 1072 B10R1.176 COc1ccc(c(c1)F)F 7a_100000181275_200000210301 [1,0,0,0,0,0|2,0,0]=3 1073 B10R1.176 COc1ccc(c(c1)F)I 34a_100009990212_200000210301 [1,0,0,0,0,0|2,0,0]=3 1074 B10R1.176 COc1ccc(c(c1)F)I 7a_100009990212_200000210301 [1,0,0,0,0,0|2,0,0]=3 1075 B10R1.176 COc1ccc(c(c1)F)N 34a_100000759473_200000210301 [1,0,0,0,0,0|2,0,0]=3 1076 B10R1.176 COc1ccc(c(c1)F)N 7a_100000759473_200000210301 [1,0,0,0,0,0|2,0,0]=3 1077 B10R1.176 COc1ccc(c(c1)F)O 271570a_203496583355_100000753793 [1,0,0,0,0,0|1,0,1]=3 1078 B10R1.176 COc1ccc(c(c1)I)Br 34a_100012339312_200000210301 [1,0,0,0,0,0|2,0,0]=3 1079 B10R1.176 COc1ccc(c(c1)I)Br 7a_100012339312_200000210301 [1,0,0,0,0,0|2,0,0]=3 1080 B10R1.176 COc1ccc(c(c1)I)Cl 34a_100000049588_200000210301 [1,0,0,0,0,0|2,0,0]=3 1081 B10R1.176 COc1ccc(c(c1)I)Cl 7a_100000049588_200000210301 [1,0,0,0,0,0|2,0,0]=3 1082 B10R1.176 COc1ccc(c(c1)I)N 34a_100010084370_200000210301 [1,0,0,0,0,0|2,0,0]=3 1083 B10R1.176 COc1ccc(c(c1)I)N 7a_100010084370_200000210301 [1,0,0,0,0,0|2,0,0]=3 1084 B10R1.176 COc1ccc(c(c1)N)Br 34a_100011999798_200000210301 [1,0,0,0,0,0|2,0,0]=3 1085 B10R1.176 COc1ccc(c(c1)N)Br 7a_100011999798_200000210301 [1,0,0,0,0,0|2,0,0]=3 1086 B10R1.176 COc1ccc(c(c1)N)C 34a_100011216113_200000210301 [1,0,0,0,0,0|1,0,1]=3 1087 B10R1.176 COc1ccc(c(c1)N)C 7a_100011216113_200000210301 [1,0,0,0,0,0|1,0,1]=3 1088 B10R1.176 COc1ccc(c(c1)N)Cl 34a_100011934297_200000210301 [1,0,0,0,0,0|2,0,0]=3 1089 B10R1.176 COc1ccc(c(c1)N)F 34a_100012017239_200000210301 [1,0,0,0,0,0|2,0,0]=3 1090 B10R1.176 COc1ccc(c(c1)N)F 7a_100012017239_200000210301 [1,0,0,0,0,0|2,0,0]=3 1091 B10R1.176 COc1ccc(c(c1)N)N 34a_100025771000_200000210301 [1,0,0,0,0,0|2,0,0]=3 1092 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [1,0,0,0,0,0|1,0,1]=3 1093 B10R1.176 COc1ccc(c(c1)O)Br 271570a_203496583355_100009992028 [1,0,0,0,0,0|1,0,0]=2 1094 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [1,0,0,0,0,0|0,0,1]=2 1095 B10R1.176 COc1ccc(c(c1)O)Cl 271570a_203496583355_100011356938 [1,0,0,0,0,0|1,0,0]=2 1096 B10R1.176 COc1ccc(c(c1)O)F 271570a_203496583355_100000699733 [1,0,0,0,0,0|1,0,0]=2 1097 B10R1.176 COc1ccc(c(c1)O)N 271570a_203496583355_100015195136 [1,0,0,0,0,0|1,0,0]=2 1098 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [1,0,0,0,0,0|0,0,1]=2 1099 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [1,0,0,0,0,0|0,0,1]=2 1100 B10R1.176 COc1ccc(c(n1)C)Br 34a_100000691680_200000210301 [1,0,0,0,0,0|3,0,0]=4 1101 B10R1.176 COc1ccc(c(n1)C)Cl 34a_200009863735_200000210301 [1,0,0,0,0,0|3,0,0]=4 1102 B10R1.176 COc1ccc(c(n1)C)O 271570a_203496583355_100000766551 [1,0,0,0,0,0|2,0,1]=4 1103 B10R1.176 COc1ccc(c(n1)F)Br 34a_100009879308_200000210301 [1,0,0,0,0,0|3,0,0]=4 1104 B10R1.176 COc1ccc(c(n1)F)O 271570a_203496583355_100010067559 [1,0,0,0,0,0|2,0,1]=4 1105 B10R1.176 COc1ccc(c(n1)N)O 271570a_203496583355_100010187629 [1,0,0,0,0,0|2,0,1]=4 1106 B10R1.176 COc1ccc(c(n1)O)N 271570a_203496583355_100000069805 [1,0,0,0,0,0|2,0,0]=3 1107 B10R1.176 COc1cnc(c(c1)Br)C 34a_100009819603_200000210301 [1,0,0,0,0,0|2,0,1]=4 1108 B10R1.176 COc1cnc(c(c1)Br)C 7a_100009819603_200000210301 [1,0,0,0,0,0|2,0,1]=4 1109 B10R1.176 COc1cnc(c(c1)Br)Cl 34a_100012356455_200000210301 [1,0,0,0,0,0|3,0,0]=4 1110 B10R1.176 COc1cnc(c(c1)Br)Cl 7a_100012356455_200000210301 [1,0,0,0,0,0|3,0,0]=4 1111 B10R1.176 COc1cnc(c(c1)Br)F 34a_100009817267_200000210301 [1,0,0,0,0,0|3,0,0]=4 1112 B10R1.176 COc1cnc(c(c1)Br)F 7a_100009817267_200000210301 [1,0,0,0,0,0|3,0,0]=4 1113 B10R1.176 COc1cnc(c(c1)C)Br 34a_100012000486_200000210301 [1,0,0,0,0,0|3,0,0]=4 1114 B10R1.176 COc1cnc(c(c1)C)Br 7a_100012000486_200000210301 [1,0,0,0,0,0|3,0,0]=4 1115 B10R1.176 COc1cnc(c(c1)C)C 34a_100009854398_200000210301 [1,0,0,0,0,0|2,0,1]=4 1116 B10R1.176 COc1cnc(c(c1)C)C 7a_100009854398_200000210301 [1,0,0,0,0,0|2,0,1]=4 1117 B10R1.176 COc1cnc(c(c1)C)Cl 34a_100012002680_200000210301 [1,0,0,0,0,0|3,0,0]=4 1118 B10R1.176 COc1cnc(c(c1)C)Cl 7a_100012002680_200000210301 [1,0,0,0,0,0|3,0,0]=4 1119 B10R1.176 COc1cnc(c(c1)C)F 34a_100000094615_200000210301 [1,0,0,0,0,0|3,0,0]=4 1120 B10R1.176 COc1cnc(c(c1)C)F 7a_100000094615_200000210301 [1,0,0,0,0,0|3,0,0]=4 1121 B10R1.176 COc1cnc(c(c1)C)O 271570a_203496583355_200009851512 [1,0,0,0,0,0|2,0,1]=4 1122 B10R1.176 COc1cnc(c(c1)Cl)Br 34a_100010209684_200000210301 [1,0,0,0,0,0|3,0,0]=4 1123 B10R1.176 COc1cnc(c(c1)Cl)Br 7a_100010209684_200000210301 [1,0,0,0,0,0|3,0,0]=4 1124 B10R1.176 COc1cnc(c(c1)Cl)Cl 34a_100000094354_200000210301 [1,0,0,0,0,0|3,0,0]=4 1125 B10R1.176 COc1cnc(c(c1)Cl)Cl 7a_100000094354_200000210301 [1,0,0,0,0,0|3,0,0]=4 1126 B10R1.176 COc1cnc(c(c1)Cl)F 34a_100000087088_200000210301 [1,0,0,0,0,0|3,0,0]=4 1127 B10R1.176 COc1cnc(c(c1)Cl)F 7a_100000087088_200000210301 [1,0,0,0,0,0|3,0,0]=4 1128 B10R1.176 COc1cnc(c(c1)F)Cl 34a_100000063512_200000210301 [1,0,0,0,0,0|3,0,0]=4 1129 B10R1.176 COc1cnc(c(c1)F)Cl 7a_100000063512_200000210301 [1,0,0,0,0,0|3,0,0]=4 1130 B10R1.176 COc1cnc(c(c1)N)O 271570a_203496583355_100010074831 [1,0,0,0,0,0|2,0,1]=4 1131 B10R1.176 COc1cnc(c(c1)O)F 271570a_203496583355_100010068374 [1,0,0,0,0,0|2,0,0]=3 1132 B10R1.176 COc1ncc(c(n1)O)F 271570a_203496583355_100000094299 [1,0,0,0,0,0|3,0,0]=4 1133 B10R1.176 CSc1c[nH]c(=O)c(c1)Br 62a_100010125443_200000210301 [1,0,0,0,0,0|2,1,0]=4 1134 B10R1.176 CSc1c[nH]c(=O)c(c1)Br 62a_200000210301_100010125443 [1,0,0,0,0,0|2,1,0]=4 1135 B10R1.176 CSc1c[nH]c(=O)c(c1)F 62a_100000723523_200000210301 [1,0,0,0,0,0|2,1,0]=4 1136 B10R1.176 CSc1c[nH]c(=O)c(c1)F 62a_200000210301_100000723523 [1,0,0,0,0,0|2,1,0]=4 1137 B10R1.176 CSc1c[nH]c(=O)c(c1)O 62a_200000210301_100009814561 [1,0,0,0,0,0|1,1,0]=3 1138 B10R1.176 CSc1cc(c(cn1)C)O 62a_100000704368_200000210301 [1,0,0,0,0,0|1,1,1]=4 1139 B10R1.176 CSc1cc(c(cn1)C)O 62a_200000210301_100000704368 [1,0,0,0,0,0|1,1,1]=4 1140 B10R1.176 CSc1cc(c(cn1)F)O 62a_100009854642_200000210301 [1,0,0,0,0,0|2,1,0]=4 1141 B10R1.176 CSc1cc(c(cn1)F)O 62a_200000210301_100009854642 [1,0,0,0,0,0|2,1,0]=4 1142 B10R1.176 CSc1ccc(=O)n(c1)C 62a_100011245003_200000210301 [1,0,0,0,0,0|2,1,0]=4 1143 B10R1.176 CSc1ccc(=O)n(c1)C 62a_200000210301_100011245003 [1,0,0,0,0,0|2,1,0]=4 1144 B10R1.176 CSc1ccc(c(c1)Br)Br 62a_100012356285_200000210301 [1,0,0,0,0,0|2,1,0]=4 1145 B10R1.176 CSc1ccc(c(c1)Br)Br 62a_200000210301_100012356285 [1,0,0,0,0,0|2,1,0]=4 1146 B10R1.176 CSc1ccc(c(c1)Br)C 62a_100011847877_200000210301 [1,0,0,0,0,0|1,1,1]=4 1147 B10R1.176 CSc1ccc(c(c1)Br)C 62a_200000210301_100011847877 [1,0,0,0,0,0|1,1,1]=4 1148 B10R1.176 CSc1ccc(c(c1)Br)Cl 62a_100012353702_200000210301 [1,0,0,0,0,0|2,1,0]=4 1149 B10R1.176 CSc1ccc(c(c1)Br)Cl 62a_200000210301_100012353702 [1,0,0,0,0,0|2,1,0]=4 1150 B10R1.176 CSc1ccc(c(c1)Br)F 62a_100012047266_200000210301 [1,0,0,0,0,0|2,1,0]=4 1151 B10R1.176 CSc1ccc(c(c1)Br)F 62a_200000210301_100012047266 [1,0,0,0,0,0|2,1,0]=4 1152 B10R1.176 CSc1ccc(c(c1)Br)N 62a_100000750455_200000210301 [1,0,0,0,0,0|2,1,0]=4 1153 B10R1.176 CSc1ccc(c(c1)Br)N 62a_200000210301_100000750455 [1,0,0,0,0,0|2,1,0]=4 1154 B10R1.176 CSc1ccc(c(c1)Br)O 62a_100012361655_200000210301 [1,0,0,0,0,0|1,1,1]=4 1155 B10R1.176 CSc1ccc(c(c1)Br)O 62a_200000210301_100012361655 [1,0,0,0,0,0|1,1,1]=4 1156 B10R1.176 CSc1ccc(c(c1)C)Br 62a_100009813585_200000210301 [1,0,0,0,0,0|2,1,0]=4 1157 B10R1.176 CSc1ccc(c(c1)C)Br 62a_200000210301_100009813585 [1,0,0,0,0,0|2,1,0]=4 1158 B10R1.176 CSc1ccc(c(c1)C)C 62a_100011215607_200000210301 [1,0,0,0,0,0|1,1,1]=4 1159 B10R1.176 CSc1ccc(c(c1)C)C 62a_200000210301_100011215607 [1,0,0,0,0,0|1,1,1]=4 1160 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_100000049509_200000210301 [1,0,0,0,0,0|2,1,0]=4 1161 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_200000210301_100000049509 [1,0,0,0,0,0|2,1,0]=4 1162 B10R1.176 CSc1ccc(c(c1)C)F 62a_100011218330_200000210301 [1,0,0,0,0,0|2,1,0]=4 1163 B10R1.176 CSc1ccc(c(c1)C)F 62a_200000210301_100011218330 [1,0,0,0,0,0|2,1,0]=4 1164 B10R1.176 CSc1ccc(c(c1)C)N 62a_100000211769_200000210301 [1,0,0,0,0,0|2,1,0]=4 1165 B10R1.176 CSc1ccc(c(c1)C)N 62a_200000210301_100000211769 [1,0,0,0,0,0|2,1,0]=4 1166 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [1,0,0,0,0,0|1,1,1]=4 1167 B10R1.176 CSc1ccc(c(c1)Cl)Br 62a_100012047281_200000210301 [1,0,0,0,0,0|2,1,0]=4 1168 B10R1.176 CSc1ccc(c(c1)Cl)Br 62a_200000210301_100012047281 [1,0,0,0,0,0|2,1,0]=4 1169 B10R1.176 CSc1ccc(c(c1)Cl)C 62a_100011216363_200000210301 [1,0,0,0,0,0|1,1,1]=4 1170 B10R1.176 CSc1ccc(c(c1)Cl)C 62a_200000210301_100011216363 [1,0,0,0,0,0|1,1,1]=4 1171 B10R1.176 CSc1ccc(c(c1)Cl)Cl 62a_100011214914_200000210301 [1,0,0,0,0,0|2,1,0]=4 1172 B10R1.176 CSc1ccc(c(c1)Cl)Cl 62a_200000210301_100011214914 [1,0,0,0,0,0|2,1,0]=4 1173 B10R1.176 CSc1ccc(c(c1)Cl)F 62a_100011215976_200000210301 [1,0,0,0,0,0|2,1,0]=4 1174 B10R1.176 CSc1ccc(c(c1)Cl)F 62a_200000210301_100011215976 [1,0,0,0,0,0|2,1,0]=4 1175 B10R1.176 CSc1ccc(c(c1)Cl)N 62a_100011218065_200000210301 [1,0,0,0,0,0|2,1,0]=4 1176 B10R1.176 CSc1ccc(c(c1)Cl)N 62a_200000210301_100011218065 [1,0,0,0,0,0|2,1,0]=4 1177 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_100012360047_200000210301 [1,0,0,0,0,0|1,1,1]=4 1178 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_200000210301_100012360047 [1,0,0,0,0,0|1,1,1]=4 1179 B10R1.176 CSc1ccc(c(c1)F)Br 62a_100000685389_200000210301 [1,0,0,0,0,0|2,1,0]=4 1180 B10R1.176 CSc1ccc(c(c1)F)Br 62a_200000210301_100000685389 [1,0,0,0,0,0|2,1,0]=4 1181 B10R1.176 CSc1ccc(c(c1)F)C 62a_100000720648_200000210301 [1,0,0,0,0,0|1,1,1]=4 1182 B10R1.176 CSc1ccc(c(c1)F)C 62a_200000210301_100000720648 [1,0,0,0,0,0|1,1,1]=4 1183 B10R1.176 CSc1ccc(c(c1)F)Cl 62a_100011216805_200000210301 [1,0,0,0,0,0|2,1,0]=4 1184 B10R1.176 CSc1ccc(c(c1)F)Cl 62a_200000210301_100011216805 [1,0,0,0,0,0|2,1,0]=4 1185 B10R1.176 CSc1ccc(c(c1)F)F 62a_100000703953_200000210301 [1,0,0,0,0,0|2,1,0]=4 1186 B10R1.176 CSc1ccc(c(c1)F)F 62a_200000210301_100000703953 [1,0,0,0,0,0|2,1,0]=4 1187 B10R1.176 CSc1ccc(c(c1)F)N 62a_100011215594_200000210301 [1,0,0,0,0,0|2,1,0]=4 1188 B10R1.176 CSc1ccc(c(c1)F)N 62a_200000210301_100011215594 [1,0,0,0,0,0|2,1,0]=4 1189 B10R1.176 CSc1ccc(c(c1)F)O 271570a_203496583355_100009816902 [1,0,0,0,0,0|1,1,1]=4 1190 B10R1.176 CSc1ccc(c(c1)F)O 62a_100000185481_200000210301 [1,0,0,0,0,0|1,1,1]=4 1191 B10R1.176 CSc1ccc(c(c1)F)O 62a_200000210301_100000185481 [1,0,0,0,0,0|1,1,1]=4 1192 B10R1.176 CSc1ccc(c(c1)N)Br 62a_100000750456_200000210301 [1,0,0,0,0,0|2,1,0]=4 1193 B10R1.176 CSc1ccc(c(c1)N)Br 62a_200000210301_100000750456 [1,0,0,0,0,0|2,1,0]=4 1194 B10R1.176 CSc1ccc(c(c1)N)C 62a_100000761890_200000210301 [1,0,0,0,0,0|1,1,1]=4 1195 B10R1.176 CSc1ccc(c(c1)N)C 62a_200000210301_100000761890 [1,0,0,0,0,0|1,1,1]=4 1196 B10R1.176 CSc1ccc(c(c1)N)Cl 62a_200000210301_200000761891 [1,0,0,0,0,0|2,1,0]=4 1197 B10R1.176 CSc1ccc(c(c1)N)Cl 62a_200000761891_200000210301 [1,0,0,0,0,0|2,1,0]=4 1198 B10R1.176 CSc1ccc(c(c1)N)F 62a_100000740924_200000210301 [1,0,0,0,0,0|2,1,0]=4 1199 B10R1.176 CSc1ccc(c(c1)N)F 62a_200000210301_100000740924 [1,0,0,0,0,0|2,1,0]=4 1200 B10R1.176 CSc1ccc(c(c1)N)N 62a_100000741789_200000210301 [1,0,0,0,0,0|2,1,0]=4 1201 B10R1.176 CSc1ccc(c(c1)N)N 62a_200000210301_100011534411 [1,0,0,0,0,0|2,1,0]=4 1202 B10R1.176 CSc1ccc(c(c1)N)O 62a_100000752626_200000210301 [1,0,0,0,0,0|1,1,1]=4 1203 B10R1.176 CSc1ccc(c(c1)N)O 62a_200000210301_100000752626 [1,0,0,0,0,0|1,1,1]=4 1204 B10R1.176 CSc1ccc(c(c1)O)Br 62a_100012356990_200000210301 [1,0,0,0,0,0|1,1,0]=3 1205 B10R1.176 CSc1ccc(c(c1)O)Br 62a_200000210301_100012356990 [1,0,0,0,0,0|1,1,0]=3 1206 B10R1.176 CSc1ccc(c(c1)O)C 62a_100000685420_200000210301 [1,0,0,0,0,0|0,1,1]=3 1207 B10R1.176 CSc1ccc(c(c1)O)C 62a_200000210301_100000685420 [1,0,0,0,0,0|0,1,1]=3 1208 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_100011356854_200000210301 [1,0,0,0,0,0|1,1,0]=3 1209 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_200000210301_100011356854 [1,0,0,0,0,0|1,1,0]=3 1210 B10R1.176 CSc1ccc(c(c1)O)F 271570a_203496583355_200010708804 [1,0,0,0,0,0|1,1,0]=3 1211 B10R1.176 CSc1ccc(c(c1)O)F 62a_100000686035_200000210301 [1,0,0,0,0,0|1,1,0]=3 1212 B10R1.176 CSc1ccc(c(c1)O)F 62a_200000210301_100000686035 [1,0,0,0,0,0|1,1,0]=3 1213 B10R1.176 CSc1ccc(c(c1)O)N 62a_100000739049_200000210301 [1,0,0,0,0,0|1,1,0]=3 1214 B10R1.176 CSc1ccc(c(c1)O)N 62a_200000210301_100000739049 [1,0,0,0,0,0|1,1,0]=3 1215 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [1,0,0,0,0,0|0,1,1]=3 1216 B10R1.176 CSc1ccc(c(n1)O)F 62a_200000210301_100010729010 [1,0,0,0,0,0|2,1,0]=4 1217 B10R1.176 CSc1ccc(c(n1)O)N 62a_100000718904_200000210301 [1,0,0,0,0,0|2,1,0]=4 1218 B10R1.176 CSc1cnc(c(c1)O)C 62a_100009864810_200000210301 [1,0,0,0,0,0|1,1,1]=4 1219 B10R1.176 CSc1cnc(c(c1)O)C 62a_200000210301_100009864810 [1,0,0,0,0,0|1,1,1]=4 1220 B10R1.176 CSc1cnc(c(c1)O)F 62a_100009819871_200000210301 [1,0,0,0,0,0|2,1,0]=4 1221 B10R1.176 CSc1cnc(c(c1)O)F 62a_200000210301_100009819871 [1,0,0,0,0,0|2,1,0]=4 1222 B10R1.176 CSc1cnc(c(c1)O)N 62a_100009819042_200000210301 [1,0,0,0,0,0|2,1,0]=4 1223 B10R1.176 CSc1cnc(c(c1)O)N 62a_200000210301_100009819042 [1,0,0,0,0,0|2,1,0]=4 1224 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 2230a_100000210723_200025704644 [1,0,0,0,0,0|3,0,0]=4 1225 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 34a_100000210723_200025704644 [1,0,0,0,0,0|3,0,0]=4 1226 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 7a_100000210723_200025704644 [1,0,0,0,0,0|3,0,0]=4 1227 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 34a_100000690111_200025704644 [1,0,0,0,0,0|2,0,0]=3 1228 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 7a_100000690111_200025704644 [1,0,0,0,0,0|2,0,0]=3 1229 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_100009813585_200025704644 [1,0,0,0,0,0|2,1,0]=4 1230 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_200025704644_100009813585 [1,0,0,0,0,0|2,1,0]=4 1231 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 2230a_100000187808_200025704644 [1,0,0,0,0,0|3,0,0]=4 1232 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 34a_100000187808_200025704644 [1,0,0,0,0,0|3,0,0]=4 1233 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 7a_100000187808_200025704644 [1,0,0,0,0,0|3,0,0]=4 1234 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 34a_100000211092_200025704644 [1,0,0,0,0,0|2,0,0]=3 1235 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 7a_100000211092_200025704644 [1,0,0,0,0,0|2,0,0]=3 1236 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_100000049509_200025704644 [1,0,0,0,0,0|2,1,0]=4 1237 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100000049509 [1,0,0,0,0,0|2,1,0]=4 1238 B10R1.176 Cc1cc(ccc1F)N[13CH3] 2230a_100000750164_200025704644 [1,0,0,0,0,0|3,0,0]=4 1239 B10R1.176 Cc1cc(ccc1F)N[13CH3] 34a_100000750164_200025704644 [1,0,0,0,0,0|3,0,0]=4 1240 B10R1.176 Cc1cc(ccc1F)N[13CH3] 7a_100000750164_200025704644 [1,0,0,0,0,0|3,0,0]=4 1241 B10R1.176 Cc1cc(ccc1F)O[13CH3] 34a_100000751312_200025704644 [1,0,0,0,0,0|2,0,0]=3 1242 B10R1.176 Cc1cc(ccc1F)O[13CH3] 7a_100000751312_200025704644 [1,0,0,0,0,0|2,0,0]=3 1243 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_100011218330_200025704644 [1,0,0,0,0,0|2,1,0]=4 1244 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_200025704644_100011218330 [1,0,0,0,0,0|2,1,0]=4 1245 B10R1.176 Cc1cc(ccc1I)N[13CH3] 34a_100000198070_200025704644 [1,0,0,0,0,0|3,0,0]=4 1246 B10R1.176 Cc1cc(ccc1I)N[13CH3] 7a_100000198070_200025704644 [1,0,0,0,0,0|3,0,0]=4 1247 B10R1.176 Cc1cc(ccc1I)O[13CH3] 34a_100000729255_200025704644 [1,0,0,0,0,0|2,0,0]=3 1248 B10R1.176 Cc1cc(ccc1I)O[13CH3] 7a_100000729255_200025704644 [1,0,0,0,0,0|2,0,0]=3 1249 B10R1.176 Cc1cc(ccc1N)O[13CH3] 34a_100000756630_200025704644 [1,0,0,0,0,0|2,0,0]=3 1250 B10R1.176 Cc1cc(ccc1N)O[13CH3] 7a_100000756630_200025704644 [1,0,0,0,0,0|2,0,0]=3 1251 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_100000211769_200025704644 [1,0,0,0,0,0|2,1,0]=4 1252 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_200025704644_100000211769 [1,0,0,0,0,0|2,1,0]=4 1253 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [1,0,0,0,0,0|2,0,1]=4 1254 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [1,0,0,0,0,0|2,0,1]=4 1255 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [1,0,0,0,0,0|1,1,1]=4 1256 B10R1.176 Cc1cc(cnc1Br)O[13CH3] 34a_100012000486_200025704644 [1,0,0,0,0,0|3,0,0]=4 1257 B10R1.176 Cc1cc(cnc1Br)O[13CH3] 7a_100012000486_200025704644 [1,0,0,0,0,0|3,0,0]=4 1258 B10R1.176 Cc1cc(cnc1C)O[13CH3] 34a_100009854398_200025704644 [1,0,0,0,0,0|2,0,1]=4 1259 B10R1.176 Cc1cc(cnc1C)O[13CH3] 7a_100009854398_200025704644 [1,0,0,0,0,0|2,0,1]=4 1260 B10R1.176 Cc1cc(cnc1Cl)O[13CH3] 34a_100012002680_200025704644 [1,0,0,0,0,0|3,0,0]=4 1261 B10R1.176 Cc1cc(cnc1Cl)O[13CH3] 7a_100012002680_200025704644 [1,0,0,0,0,0|3,0,0]=4 1262 B10R1.176 Cc1cc(cnc1F)O[13CH3] 34a_100000094615_200025704644 [1,0,0,0,0,0|3,0,0]=4 1263 B10R1.176 Cc1cc(cnc1F)O[13CH3] 7a_100000094615_200025704644 [1,0,0,0,0,0|3,0,0]=4 1264 B10R1.176 Cc1cc(ncc1Br)O[13CH3] 34a_100000766222_200025704644 [1,0,0,0,0,0|3,0,0]=4 1265 B10R1.176 Cc1cc(ncc1Cl)O[13CH3] 34a_200000085746_200025704644 [1,0,0,0,0,0|3,0,0]=4 1266 B10R1.176 Cc1ccc(cc1Br)N[13CH3] 2230a_100000736455_200025704644 [1,0,0,0,0,0|2,0,1]=4 1267 B10R1.176 Cc1ccc(cc1Br)N[13CH3] 34a_100000736455_200025704644 [1,0,0,0,0,0|2,0,1]=4 1268 B10R1.176 Cc1ccc(cc1Br)N[13CH3] 7a_100000736455_200025704644 [1,0,0,0,0,0|2,0,1]=4 1269 B10R1.176 Cc1ccc(cc1Br)O[13CH3] 34a_100011380479_200025704644 [1,0,0,0,0,0|1,0,1]=3 1270 B10R1.176 Cc1ccc(cc1Br)O[13CH3] 7a_100011380479_200025704644 [1,0,0,0,0,0|1,0,1]=3 1271 B10R1.176 Cc1ccc(cc1Br)S[13CH3] 62a_100011847877_200025704644 [1,0,0,0,0,0|1,1,1]=4 1272 B10R1.176 Cc1ccc(cc1Br)S[13CH3] 62a_200025704644_100011847877 [1,0,0,0,0,0|1,1,1]=4 1273 B10R1.176 Cc1ccc(cc1C)N[13CH3] 2230a_100000724040_200025704644 [1,0,0,0,0,0|2,0,1]=4 1274 B10R1.176 Cc1ccc(cc1C)N[13CH3] 34a_100000724040_200025704644 [1,0,0,0,0,0|2,0,1]=4 1275 B10R1.176 Cc1ccc(cc1C)N[13CH3] 7a_100000724040_200025704644 [1,0,0,0,0,0|2,0,1]=4 1276 B10R1.176 Cc1ccc(cc1C)O[13CH3] 34a_100000210932_200025704644 [1,0,0,0,0,0|1,0,1]=3 1277 B10R1.176 Cc1ccc(cc1C)O[13CH3] 7a_100000210932_200025704644 [1,0,0,0,0,0|1,0,1]=3 1278 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_100011215607_200025704644 [1,0,0,0,0,0|1,1,1]=4 1279 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_200025704644_100011215607 [1,0,0,0,0,0|1,1,1]=4 1280 B10R1.176 Cc1ccc(cc1Cl)N[13CH3] 2230a_100000188892_200025704644 [1,0,0,0,0,0|2,0,1]=4 1281 B10R1.176 Cc1ccc(cc1Cl)N[13CH3] 34a_100000188892_200025704644 [1,0,0,0,0,0|2,0,1]=4 1282 B10R1.176 Cc1ccc(cc1Cl)N[13CH3] 7a_100000188892_200025704644 [1,0,0,0,0,0|2,0,1]=4 1283 B10R1.176 Cc1ccc(cc1Cl)O[13CH3] 34a_100011265682_200025704644 [1,0,0,0,0,0|1,0,1]=3 1284 B10R1.176 Cc1ccc(cc1Cl)O[13CH3] 7a_100011265682_200025704644 [1,0,0,0,0,0|1,0,1]=3 1285 B10R1.176 Cc1ccc(cc1Cl)S[13CH3] 62a_100011216363_200025704644 [1,0,0,0,0,0|1,1,1]=4 1286 B10R1.176 Cc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100011216363 [1,0,0,0,0,0|1,1,1]=4 1287 B10R1.176 Cc1ccc(cc1F)N[13CH3] 2230a_100000210958_200025704644 [1,0,0,0,0,0|2,0,1]=4 1288 B10R1.176 Cc1ccc(cc1F)N[13CH3] 34a_100000210958_200025704644 [1,0,0,0,0,0|2,0,1]=4 1289 B10R1.176 Cc1ccc(cc1F)N[13CH3] 7a_100000210958_200025704644 [1,0,0,0,0,0|2,0,1]=4 1290 B10R1.176 Cc1ccc(cc1F)O[13CH3] 34a_100000722560_200025704644 [1,0,0,0,0,0|1,0,1]=3 1291 B10R1.176 Cc1ccc(cc1F)O[13CH3] 7a_100000722560_200025704644 [1,0,0,0,0,0|1,0,1]=3 1292 B10R1.176 Cc1ccc(cc1F)S[13CH3] 62a_100000720648_200025704644 [1,0,0,0,0,0|1,1,1]=4 1293 B10R1.176 Cc1ccc(cc1F)S[13CH3] 62a_200025704644_100000720648 [1,0,0,0,0,0|1,1,1]=4 1294 B10R1.176 Cc1ccc(cc1I)N[13CH3] 34a_100000184131_200025704644 [1,0,0,0,0,0|2,0,1]=4 1295 B10R1.176 Cc1ccc(cc1I)N[13CH3] 7a_100000184131_200025704644 [1,0,0,0,0,0|2,0,1]=4 1296 B10R1.176 Cc1ccc(cc1N)O[13CH3] 34a_100011216113_200025704644 [1,0,0,0,0,0|1,0,1]=3 1297 B10R1.176 Cc1ccc(cc1N)O[13CH3] 7a_100011216113_200025704644 [1,0,0,0,0,0|1,0,1]=3 1298 B10R1.176 Cc1ccc(cc1N)S[13CH3] 62a_100000761890_200025704644 [1,0,0,0,0,0|1,1,1]=4 1299 B10R1.176 Cc1ccc(cc1N)S[13CH3] 62a_200025704644_100000761890 [1,0,0,0,0,0|1,1,1]=4 1300 B10R1.176 Cc1ccc(cc1O)C#N 271570a_203496583355_100000690169 [1,0,0,0,0,0|2,0,1]=4 1301 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,0,0,0,0,0|2,0,1]=4 1302 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [1,0,0,0,0,0|2,0,1]=4 1303 B10R1.176 Cc1ccc(cc1O)NN 271570a_203496583355_100016991967 [1,0,0,0,0,0|2,0,1]=4 1304 B10R1.176 Cc1ccc(cc1O)N[13CH3] 34a_100000759471_200025704644 [1,0,0,0,0,0|1,0,1]=3 1305 B10R1.176 Cc1ccc(cc1O)N[13CH3] 7a_100000759471_200025704644 [1,0,0,0,0,0|1,0,1]=3 1306 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_100000685420_200025704644 [1,0,0,0,0,0|0,1,1]=3 1307 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100000685420 [1,0,0,0,0,0|0,1,1]=3 1308 B10R1.176 Cc1cnc(cc1Br)O[13CH3] 34a_100009831917_200025704644 [1,0,0,0,0,0|2,0,1]=4 1309 B10R1.176 Cc1cnc(cc1O)S[13CH3] 62a_100000704368_200025704644 [1,0,0,0,0,0|1,1,1]=4 1310 B10R1.176 Cc1cnc(cc1O)S[13CH3] 62a_200025704644_100000704368 [1,0,0,0,0,0|1,1,1]=4 1311 B10R1.176 Cc1nc(ccc1Br)O[13CH3] 34a_100000691680_200025704644 [1,0,0,0,0,0|3,0,0]=4 1312 B10R1.176 Cc1nc(ccc1Cl)O[13CH3] 34a_200009863735_200025704644 [1,0,0,0,0,0|3,0,0]=4 1313 B10R1.176 Cc1ncc(cc1Br)O[13CH3] 34a_100009819603_200025704644 [1,0,0,0,0,0|2,0,1]=4 1314 B10R1.176 Cc1ncc(cc1Br)O[13CH3] 7a_100009819603_200025704644 [1,0,0,0,0,0|2,0,1]=4 1315 B10R1.176 Cc1ncc(cc1O)S[13CH3] 62a_100009864810_200025704644 [1,0,0,0,0,0|1,1,1]=4 1316 B10R1.176 Cc1ncc(cc1O)S[13CH3] 62a_200025704644_100009864810 [1,0,0,0,0,0|1,1,1]=4 1317 B10R1.176 Cn1cc(ccc1=O)S[13CH3] 62a_100011245003_200025704644 [1,0,0,0,0,0|2,1,0]=4 1318 B10R1.176 Cn1cc(ccc1=O)S[13CH3] 62a_200025704644_100011245003 [1,0,0,0,0,0|2,1,0]=4 1319 B10R1.176 N#Cc1ccc(c(c1)O)Br 271570a_203496583355_100012349583 [1,0,0,0,0,0|3,0,0]=4 1320 B10R1.176 N#Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010199462 [1,0,0,0,0,0|3,0,0]=4 1321 B10R1.176 N#Cc1ccc(c(c1)O)F 271570a_203496583355_100000188605 [1,0,0,0,0,0|3,0,0]=4 1322 B10R1.176 N#Cc1ccc(c(c1)O)N 271570a_203496583355_100000736769 [1,0,0,0,0,0|3,0,0]=4 1323 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [1,0,0,0,0,0|2,0,1]=4 1324 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [1,0,0,0,0,0|2,0,1]=4 1325 B10R1.176 NCc1ccc(c(c1)O)F 271570a_203496583355_100015193890 [1,0,0,0,0,0|3,0,0]=4 1326 B10R1.176 NNc1ccc(c(c1)O)F 271570a_203496583355_200025705588 [1,0,0,0,0,0|3,0,0]=4 1327 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,0,0,0,0,0|3,0,0]=4 1328 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,0,0,0,0,0|3,0,0]=4 1329 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,0,0,0,0,0|3,0,0]=4 1330 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,0,0,0,0,0|2,0,1]=4 1331 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,0,0,0,0,0|2,0,1]=4 1332 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [1,0,0,0,0,0|3,0,0]=4 1333 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [1,0,0,0,0,0|2,0,1]=4 1334 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [1,0,0,0,0,0|2,0,1]=4 1335 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Br 2230a_100011306057_200025704644 [1,0,0,0,0,0|3,0,0]=4 1336 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Br 34a_100011306057_200025704644 [1,0,0,0,0,0|3,0,0]=4 1337 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Br 7a_100011306057_200025704644 [1,0,0,0,0,0|3,0,0]=4 1338 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Cl 2230a_100000686031_200025704644 [1,0,0,0,0,0|3,0,0]=4 1339 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Cl 34a_100000686031_200025704644 [1,0,0,0,0,0|3,0,0]=4 1340 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)F 2230a_100000760356_200025704644 [1,0,0,0,0,0|3,0,0]=4 1341 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)F 34a_100000760356_200025704644 [1,0,0,0,0,0|3,0,0]=4 1342 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)F 7a_100000760356_200025704644 [1,0,0,0,0,0|3,0,0]=4 1343 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)I 34a_100000750458_200025704644 [1,0,0,0,0,0|3,0,0]=4 1344 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)O 34a_100011534360_200025704644 [1,0,0,0,0,0|2,0,1]=4 1345 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Br 2230a_100000687081_200025704644 [1,0,0,0,0,0|3,0,0]=4 1346 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Br 34a_100000687081_200025704644 [1,0,0,0,0,0|3,0,0]=4 1347 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Br 7a_100000687081_200025704644 [1,0,0,0,0,0|3,0,0]=4 1348 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Cl 2230a_100000184108_200025704644 [1,0,0,0,0,0|3,0,0]=4 1349 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Cl 34a_100000184108_200025704644 [1,0,0,0,0,0|3,0,0]=4 1350 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)F 2230a_100000211060_200025704644 [1,0,0,0,0,0|3,0,0]=4 1351 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)F 34a_100000211060_200025704644 [1,0,0,0,0,0|3,0,0]=4 1352 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)F 7a_100000211060_200025704644 [1,0,0,0,0,0|3,0,0]=4 1353 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)I 34a_100000761885_200025704644 [1,0,0,0,0,0|3,0,0]=4 1354 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)O 34a_100000744943_200025704644 [1,0,0,0,0,0|2,0,1]=4 1355 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Br 2230a_100000759894_200025704644 [1,0,0,0,0,0|3,0,0]=4 1356 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Br 34a_100000759894_200025704644 [1,0,0,0,0,0|3,0,0]=4 1357 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Br 7a_100000759894_200025704644 [1,0,0,0,0,0|3,0,0]=4 1358 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Cl 2230a_100000739366_200025704644 [1,0,0,0,0,0|3,0,0]=4 1359 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Cl 34a_100000739366_200025704644 [1,0,0,0,0,0|3,0,0]=4 1360 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Cl 7a_100000739366_200025704644 [1,0,0,0,0,0|3,0,0]=4 1361 B10R1.176 [13CH3]Nc1ccc(c(c1)F)F 2230a_100000210724_200025704644 [1,0,0,0,0,0|3,0,0]=4 1362 B10R1.176 [13CH3]Nc1ccc(c(c1)F)F 34a_100000210724_200025704644 [1,0,0,0,0,0|3,0,0]=4 1363 B10R1.176 [13CH3]Nc1ccc(c(c1)F)F 7a_100000210724_200025704644 [1,0,0,0,0,0|3,0,0]=4 1364 B10R1.176 [13CH3]Nc1ccc(c(c1)F)I 34a_100011356925_200025704644 [1,0,0,0,0,0|3,0,0]=4 1365 B10R1.176 [13CH3]Nc1ccc(c(c1)F)I 7a_100011356925_200025704644 [1,0,0,0,0,0|3,0,0]=4 1366 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 34a_100011220035_200025704644 [1,0,0,0,0,0|2,0,1]=4 1367 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 7a_100011220035_200025704644 [1,0,0,0,0,0|2,0,1]=4 1368 B10R1.176 [13CH3]Nc1ccc(c(c1)I)Br 34a_100000750459_200025704644 [1,0,0,0,0,0|3,0,0]=4 1369 B10R1.176 [13CH3]Nc1ccc(c(c1)I)Cl 34a_100012360549_200025704644 [1,0,0,0,0,0|3,0,0]=4 1370 B10R1.176 [13CH3]Nc1ccc(c(c1)I)F 34a_114828291077_200025704644 [1,0,0,0,0,0|3,0,0]=4 1371 B10R1.176 [13CH3]Nc1ccc(c(c1)I)F 7a_114828291077_200025704644 [1,0,0,0,0,0|3,0,0]=4 1372 B10R1.176 [13CH3]Nc1ccc(c(c1)O)Cl 34a_100011934209_200025704644 [1,0,0,0,0,0|2,0,0]=3 1373 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 34a_100012017398_200025704644 [1,0,0,0,0,0|2,0,0]=3 1374 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 7a_100012017398_200025704644 [1,0,0,0,0,0|2,0,0]=3 1375 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [1,0,0,0,0,0|1,0,1]=3 1376 B10R1.176 [13CH3]Oc1cc(c(cn1)Br)Cl 34a_100010369989_200025704644 [1,0,0,0,0,0|3,0,0]=4 1377 B10R1.176 [13CH3]Oc1cc(c(cn1)Cl)Cl 34a_200000099200_200025704644 [1,0,0,0,0,0|3,0,0]=4 1378 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)Cl 34a_100011933957_200025704644 [1,0,0,0,0,0|2,0,0]=3 1379 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)Cl 7a_100011933957_200025704644 [1,0,0,0,0,0|2,0,0]=3 1380 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)F 34a_100000693481_200025704644 [1,0,0,0,0,0|2,0,0]=3 1381 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)F 7a_100000693481_200025704644 [1,0,0,0,0,0|2,0,0]=3 1382 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)I 34a_100000701344_200025704644 [1,0,0,0,0,0|2,0,0]=3 1383 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)I 7a_100000701344_200025704644 [1,0,0,0,0,0|2,0,0]=3 1384 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)N 34a_100012001276_200025704644 [1,0,0,0,0,0|2,0,0]=3 1385 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)N 7a_100012001276_200025704644 [1,0,0,0,0,0|2,0,0]=3 1386 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Br 34a_100011215161_200025704644 [1,0,0,0,0,0|2,0,0]=3 1387 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Br 7a_100011215161_200025704644 [1,0,0,0,0,0|2,0,0]=3 1388 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Cl 34a_100000211054_200025704644 [1,0,0,0,0,0|2,0,0]=3 1389 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Cl 7a_100000211054_200025704644 [1,0,0,0,0,0|2,0,0]=3 1390 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)F 34a_100000211030_200025704644 [1,0,0,0,0,0|2,0,0]=3 1391 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)F 7a_100000211030_200025704644 [1,0,0,0,0,0|2,0,0]=3 1392 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)I 34a_100000047559_200025704644 [1,0,0,0,0,0|2,0,0]=3 1393 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)I 7a_100000047559_200025704644 [1,0,0,0,0,0|2,0,0]=3 1394 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)N 34a_100011215599_200025704644 [1,0,0,0,0,0|2,0,0]=3 1395 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)N 7a_100011215599_200025704644 [1,0,0,0,0,0|2,0,0]=3 1396 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Br 34a_100000755031_200025704644 [1,0,0,0,0,0|2,0,0]=3 1397 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Br 7a_100000755031_200025704644 [1,0,0,0,0,0|2,0,0]=3 1398 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Cl 34a_100000691581_200025704644 [1,0,0,0,0,0|2,0,0]=3 1399 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Cl 7a_100000691581_200025704644 [1,0,0,0,0,0|2,0,0]=3 1400 B10R1.176 [13CH3]Oc1ccc(c(c1)F)F 34a_100000181275_200025704644 [1,0,0,0,0,0|2,0,0]=3 1401 B10R1.176 [13CH3]Oc1ccc(c(c1)F)F 7a_100000181275_200025704644 [1,0,0,0,0,0|2,0,0]=3 1402 B10R1.176 [13CH3]Oc1ccc(c(c1)F)I 34a_100009990212_200025704644 [1,0,0,0,0,0|2,0,0]=3 1403 B10R1.176 [13CH3]Oc1ccc(c(c1)F)I 7a_100009990212_200025704644 [1,0,0,0,0,0|2,0,0]=3 1404 B10R1.176 [13CH3]Oc1ccc(c(c1)F)N 34a_100000759473_200025704644 [1,0,0,0,0,0|2,0,0]=3 1405 B10R1.176 [13CH3]Oc1ccc(c(c1)F)N 7a_100000759473_200025704644 [1,0,0,0,0,0|2,0,0]=3 1406 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Br 34a_100012339312_200025704644 [1,0,0,0,0,0|2,0,0]=3 1407 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Br 7a_100012339312_200025704644 [1,0,0,0,0,0|2,0,0]=3 1408 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Cl 34a_100000049588_200025704644 [1,0,0,0,0,0|2,0,0]=3 1409 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Cl 7a_100000049588_200025704644 [1,0,0,0,0,0|2,0,0]=3 1410 B10R1.176 [13CH3]Oc1ccc(c(c1)I)N 34a_100010084370_200025704644 [1,0,0,0,0,0|2,0,0]=3 1411 B10R1.176 [13CH3]Oc1ccc(c(c1)I)N 7a_100010084370_200025704644 [1,0,0,0,0,0|2,0,0]=3 1412 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Br 34a_100011999798_200025704644 [1,0,0,0,0,0|2,0,0]=3 1413 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Br 7a_100011999798_200025704644 [1,0,0,0,0,0|2,0,0]=3 1414 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Cl 34a_100011934297_200025704644 [1,0,0,0,0,0|2,0,0]=3 1415 B10R1.176 [13CH3]Oc1ccc(c(c1)N)F 34a_100012017239_200025704644 [1,0,0,0,0,0|2,0,0]=3 1416 B10R1.176 [13CH3]Oc1ccc(c(c1)N)F 7a_100012017239_200025704644 [1,0,0,0,0,0|2,0,0]=3 1417 B10R1.176 [13CH3]Oc1ccc(c(c1)N)N 34a_100025771000_200025704644 [1,0,0,0,0,0|2,0,0]=3 1418 B10R1.176 [13CH3]Oc1ccc(c(n1)F)Br 34a_100009879308_200025704644 [1,0,0,0,0,0|3,0,0]=4 1419 B10R1.176 [13CH3]Oc1cnc(c(c1)Br)Cl 34a_100012356455_200025704644 [1,0,0,0,0,0|3,0,0]=4 1420 B10R1.176 [13CH3]Oc1cnc(c(c1)Br)Cl 7a_100012356455_200025704644 [1,0,0,0,0,0|3,0,0]=4 1421 B10R1.176 [13CH3]Oc1cnc(c(c1)Br)F 34a_100009817267_200025704644 [1,0,0,0,0,0|3,0,0]=4 1422 B10R1.176 [13CH3]Oc1cnc(c(c1)Br)F 7a_100009817267_200025704644 [1,0,0,0,0,0|3,0,0]=4 1423 B10R1.176 [13CH3]Oc1cnc(c(c1)Cl)Br 34a_100010209684_200025704644 [1,0,0,0,0,0|3,0,0]=4 1424 B10R1.176 [13CH3]Oc1cnc(c(c1)Cl)Br 7a_100010209684_200025704644 [1,0,0,0,0,0|3,0,0]=4 1425 B10R1.176 [13CH3]Oc1cnc(c(c1)Cl)Cl 34a_100000094354_200025704644 [1,0,0,0,0,0|3,0,0]=4 1426 B10R1.176 [13CH3]Oc1cnc(c(c1)Cl)Cl 7a_100000094354_200025704644 [1,0,0,0,0,0|3,0,0]=4 1427 B10R1.176 [13CH3]Oc1cnc(c(c1)Cl)F 34a_100000087088_200025704644 [1,0,0,0,0,0|3,0,0]=4 1428 B10R1.176 [13CH3]Oc1cnc(c(c1)Cl)F 7a_100000087088_200025704644 [1,0,0,0,0,0|3,0,0]=4 1429 B10R1.176 [13CH3]Oc1cnc(c(c1)F)Cl 34a_100000063512_200025704644 [1,0,0,0,0,0|3,0,0]=4 1430 B10R1.176 [13CH3]Oc1cnc(c(c1)F)Cl 7a_100000063512_200025704644 [1,0,0,0,0,0|3,0,0]=4 1431 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)Br 62a_100010125443_200025704644 [1,0,0,0,0,0|2,1,0]=4 1432 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)Br 62a_200025704644_100010125443 [1,0,0,0,0,0|2,1,0]=4 1433 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)F 62a_100000723523_200025704644 [1,0,0,0,0,0|2,1,0]=4 1434 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)F 62a_200025704644_100000723523 [1,0,0,0,0,0|2,1,0]=4 1435 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)O 62a_200025704644_100009814561 [1,0,0,0,0,0|1,1,0]=3 1436 B10R1.176 [13CH3]Sc1cc(c(cn1)F)O 62a_100009854642_200025704644 [1,0,0,0,0,0|2,1,0]=4 1437 B10R1.176 [13CH3]Sc1cc(c(cn1)F)O 62a_200025704644_100009854642 [1,0,0,0,0,0|2,1,0]=4 1438 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Br 62a_100012356285_200025704644 [1,0,0,0,0,0|2,1,0]=4 1439 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Br 62a_200025704644_100012356285 [1,0,0,0,0,0|2,1,0]=4 1440 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Cl 62a_100012353702_200025704644 [1,0,0,0,0,0|2,1,0]=4 1441 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Cl 62a_200025704644_100012353702 [1,0,0,0,0,0|2,1,0]=4 1442 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)F 62a_100012047266_200025704644 [1,0,0,0,0,0|2,1,0]=4 1443 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)F 62a_200025704644_100012047266 [1,0,0,0,0,0|2,1,0]=4 1444 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)N 62a_100000750455_200025704644 [1,0,0,0,0,0|2,1,0]=4 1445 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)N 62a_200025704644_100000750455 [1,0,0,0,0,0|2,1,0]=4 1446 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_100012361655_200025704644 [1,0,0,0,0,0|1,1,1]=4 1447 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_200025704644_100012361655 [1,0,0,0,0,0|1,1,1]=4 1448 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Br 62a_100012047281_200025704644 [1,0,0,0,0,0|2,1,0]=4 1449 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Br 62a_200025704644_100012047281 [1,0,0,0,0,0|2,1,0]=4 1450 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Cl 62a_100011214914_200025704644 [1,0,0,0,0,0|2,1,0]=4 1451 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Cl 62a_200025704644_100011214914 [1,0,0,0,0,0|2,1,0]=4 1452 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)F 62a_100011215976_200025704644 [1,0,0,0,0,0|2,1,0]=4 1453 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)F 62a_200025704644_100011215976 [1,0,0,0,0,0|2,1,0]=4 1454 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)N 62a_100011218065_200025704644 [1,0,0,0,0,0|2,1,0]=4 1455 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)N 62a_200025704644_100011218065 [1,0,0,0,0,0|2,1,0]=4 1456 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_100012360047_200025704644 [1,0,0,0,0,0|1,1,1]=4 1457 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_200025704644_100012360047 [1,0,0,0,0,0|1,1,1]=4 1458 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Br 62a_100000685389_200025704644 [1,0,0,0,0,0|2,1,0]=4 1459 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Br 62a_200025704644_100000685389 [1,0,0,0,0,0|2,1,0]=4 1460 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Cl 62a_100011216805_200025704644 [1,0,0,0,0,0|2,1,0]=4 1461 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Cl 62a_200025704644_100011216805 [1,0,0,0,0,0|2,1,0]=4 1462 B10R1.176 [13CH3]Sc1ccc(c(c1)F)F 62a_100000703953_200025704644 [1,0,0,0,0,0|2,1,0]=4 1463 B10R1.176 [13CH3]Sc1ccc(c(c1)F)F 62a_200025704644_100000703953 [1,0,0,0,0,0|2,1,0]=4 1464 B10R1.176 [13CH3]Sc1ccc(c(c1)F)N 62a_100011215594_200025704644 [1,0,0,0,0,0|2,1,0]=4 1465 B10R1.176 [13CH3]Sc1ccc(c(c1)F)N 62a_200025704644_100011215594 [1,0,0,0,0,0|2,1,0]=4 1466 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_100000185481_200025704644 [1,0,0,0,0,0|1,1,1]=4 1467 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_200025704644_100000185481 [1,0,0,0,0,0|1,1,1]=4 1468 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Br 62a_100000750456_200025704644 [1,0,0,0,0,0|2,1,0]=4 1469 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Br 62a_200025704644_100000750456 [1,0,0,0,0,0|2,1,0]=4 1470 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Cl 62a_200000761891_200025704644 [1,0,0,0,0,0|2,1,0]=4 1471 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Cl 62a_200025704644_200000761891 [1,0,0,0,0,0|2,1,0]=4 1472 B10R1.176 [13CH3]Sc1ccc(c(c1)N)F 62a_100000740924_200025704644 [1,0,0,0,0,0|2,1,0]=4 1473 B10R1.176 [13CH3]Sc1ccc(c(c1)N)F 62a_200025704644_100000740924 [1,0,0,0,0,0|2,1,0]=4 1474 B10R1.176 [13CH3]Sc1ccc(c(c1)N)N 62a_100000741789_200025704644 [1,0,0,0,0,0|2,1,0]=4 1475 B10R1.176 [13CH3]Sc1ccc(c(c1)N)N 62a_200025704644_100011534411 [1,0,0,0,0,0|2,1,0]=4 1476 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_100000752626_200025704644 [1,0,0,0,0,0|1,1,1]=4 1477 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_200025704644_100000752626 [1,0,0,0,0,0|1,1,1]=4 1478 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_100012356990_200025704644 [1,0,0,0,0,0|1,1,0]=3 1479 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_200025704644_100012356990 [1,0,0,0,0,0|1,1,0]=3 1480 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_100011356854_200025704644 [1,0,0,0,0,0|1,1,0]=3 1481 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_200025704644_100011356854 [1,0,0,0,0,0|1,1,0]=3 1482 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_100000686035_200025704644 [1,0,0,0,0,0|1,1,0]=3 1483 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_200025704644_100000686035 [1,0,0,0,0,0|1,1,0]=3 1484 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_100000739049_200025704644 [1,0,0,0,0,0|1,1,0]=3 1485 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_200025704644_100000739049 [1,0,0,0,0,0|1,1,0]=3 1486 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [1,0,0,0,0,0|0,1,1]=3 1487 B10R1.176 [13CH3]Sc1ccc(c(n1)O)F 62a_200025704644_100010729010 [1,0,0,0,0,0|2,1,0]=4 1488 B10R1.176 [13CH3]Sc1ccc(c(n1)O)N 62a_100000718904_200025704644 [1,0,0,0,0,0|2,1,0]=4 1489 B10R1.176 [13CH3]Sc1cnc(c(c1)O)F 62a_100009819871_200025704644 [1,0,0,0,0,0|2,1,0]=4 1490 B10R1.176 [13CH3]Sc1cnc(c(c1)O)F 62a_200025704644_100009819871 [1,0,0,0,0,0|2,1,0]=4 1491 B10R1.176 [13CH3]Sc1cnc(c(c1)O)N 62a_100009819042_200025704644 [1,0,0,0,0,0|2,1,0]=4 1492 B10R1.176 [13CH3]Sc1cnc(c(c1)O)N 62a_200025704644_100009819042 [1,0,0,0,0,0|2,1,0]=4 1493 B12R1.48 C=C(C)c1cc(c(cn1)C=O)C 271570a_100000694244_100000085382 [0,1,0,0,0,0|3,0,0]=4 1494 B12R1.48 C=C(C)c1ccc(c(c1)Br)C=O 271570a_100000694244_100010185650 [0,1,0,0,0,0|2,0,0]=3 1495 B12R1.48 C=C(C)c1ccc(c(c1)C)C=O 271570a_100000694244_100000687586 [0,1,0,0,0,0|2,0,0]=3 1496 B12R1.48 C=C(C)c1ccc(c(c1)Cl)C=O 271570a_100000694244_100000727542 [0,1,0,0,0,0|2,0,0]=3 1497 B12R1.48 C=C(C)c1ccc(c(c1)F)C=O 271570a_100000694244_100000211676 [0,1,0,0,0,0|2,0,0]=3 1498 B12R1.48 C=C(C)c1ccc(c(c1)N)C=O 271570a_100000694244_100009814810 [0,1,0,0,0,0|2,0,0]=3 1499 B12R1.48 C=C(C)c1ccc(c(c1)O)C#N 271570a_100000694244_100011934713 [0,1,0,0,0,0|2,0,1]=4 1500 B12R1.48 C=C(C)c1ccc(c(c1)O)C=O 271570a_100000694244_100011277552 [0,1,0,0,0,0|1,0,0]=2 1501 B12R1.48 C=C(C)c1ccc(c(c1)O)CO 271570a_100000694244_100000071718 [0,1,0,0,0,0|1,0,2]=4 1502 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [0,1,0,0,0,0|3,0,0]=4 1503 B12R1.48 C=C(C)c1ccc(c(n1)C)C=O 271570a_100000694244_100000050599 [0,1,0,0,0,0|3,0,0]=4 1504 B12R1.48 C=C(C)c1ccc(c(n1)F)C=O 271570a_100000694244_100010064369 [0,1,0,0,0,0|3,0,0]=4 1505 B12R1.48 C=C(C)c1cnc(c(c1)C)C=O 271570a_100000694244_100010185443 [0,1,0,0,0,0|3,0,0]=4 1506 B12R1.48 C=C(C)c1cnc(c(c1)F)C=O 271570a_100000694244_100010180630 [0,1,0,0,0,0|3,0,0]=4 1507 B12R1.48 C=Cc1ccc(cc1Br)C(=O)C 271570a_100011290941_100010146554 [0,1,0,0,0,0|3,0,0]=4 1508 B12R1.48 C=Cc1ccc(cc1Br)C(C)C 271570a_100011290941_200010212211 [0,1,0,0,0,0|3,0,0]=4 1509 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [0,1,0,0,0,0|3,0,0]=4 1510 B12R1.48 C=Cc1ccc(cc1C)N(C)C 271570a_100011290941_100011934168 [0,1,0,0,0,0|3,0,0]=4 1511 B12R1.48 C=Cc1ccc(cc1F)C(=O)C 271570a_100011290941_100000690002 [0,1,0,0,0,0|3,0,0]=4 1512 B12R1.48 C=Cc1ccc(cc1F)[C@H](C)N 271570a_100011290941_100134618348 [0,1,0,0,0,0|3,0,0]=4 1513 B12R1.48 C=Cc1ccc(cc1N)C(=O)C 271570a_100011290941_100009816534 [0,1,0,0,0,0|3,0,0]=4 1514 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [0,1,0,0,0,0|3,0,0]=4 1515 B12R1.48 CC(C)c1ccc(c(c1)O)C=O 271570a_203496583355_100010158967 [0,1,0,0,0,0|1,0,0]=2 1516 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,1,0,0,0,0|2,0,1]=4 1517 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,1,0,0,0,0|2,0,1]=4 1518 B12R1.48 CN(C)c1ccc(c(n1)F)C=O 27a_100102631434_100010064369 [0,1,0,0,0,0|3,0,0]=4 1519 B12R1.48 CN(N)c1ccc(c(c1)O)C#N 271570a_203496583355_200010713610 [0,1,0,0,0,0|2,0,1]=4 1520 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,1,0,0,0,0|3,0,0]=4 1521 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,1,0,0,0,0|3,0,0]=4 1522 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,1,0,0,0,0|3,0,0]=4 1523 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [0,1,0,0,0,0|3,0,0]=4 1524 B12R1.48 O=Cc1ccc(cc1O)B(O)O 271570a_203496583355_100000062204 [0,1,0,0,0,0|2,0,0]=3 1525 B12R1.78 C=Cc1cc(ccc1C#N)OC 271570a_100011290941_100012355471 [0,1,0,0,0,0|2,0,1]=4 1526 B12R1.78 C=Cc1cc(ccc1C=O)C#N 271570a_100011290941_100012355658 [0,1,0,0,0,0|3,0,0]=4 1527 B12R1.78 C=Cc1cc(ccc1C=O)C=O 271570a_100011290941_100015597013 [0,1,0,0,0,0|3,0,0]=4 1528 B12R1.78 C=Cc1cc(ccc1C=O)OC 271570a_100011290941_100000723261 [0,1,0,0,0,0|1,0,0]=2 1529 B12R1.78 C=Cc1cc(ccc1CO)OC 271570a_100011290941_100011982768 [0,1,0,0,0,0|1,0,2]=4 1530 B12R1.78 C=Cc1cc(ccc1OC)OC 271570a_100011290941_100011215452 [0,1,0,0,0,0|3,0,0]=4 1531 B12R1.78 C=Cc1cc(cnc1C=O)OC 271570a_100011290941_200010135874 [0,1,0,0,0,0|2,0,0]=3 1532 B12R1.78 C=Cc1ccc(c(c1)C#N)C=O 271570a_100011290941_100012001787 [0,1,0,0,0,0|2,0,1]=4 1533 B12R1.78 C=Cc1ccc(c(c1)C=O)C=O 271570a_100011290941_200010077131 [0,1,0,0,0,0|1,0,2]=4 1534 B12R1.78 C=Cc1ccc(c(c1)CC)C=O 271570a_100011290941_100010209654 [0,1,0,0,0,0|2,0,1]=4 1535 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [0,1,0,0,0,0|1,0,1]=3 1536 B12R1.78 C=Cc1ccc(c(n1)OC)C=O 271570a_100011290941_100009864722 [0,1,0,0,0,0|2,0,1]=4 1537 B12R1.78 C=Cc1ccc(cc1C#N)OC 271570a_100011290941_100000748272 [0,1,0,0,0,0|2,0,0]=3 1538 B12R1.78 C=Cc1ccc(cc1C=O)OC 271570a_100011290941_100000691568 [0,1,0,0,0,0|1,0,1]=3 1539 B12R1.78 C=Cc1ccc(cc1CC)OC 271570a_100011290941_100000720562 [0,1,0,0,0,0|2,0,0]=3 1540 B12R1.78 C=Cc1ccc(cc1CN)OC 271570a_100011290941_100000741592 [0,1,0,0,0,0|2,0,0]=3 1541 B12R1.78 C=Cc1ccc(cc1CO)C#N 271570a_100011290941_100010246249 [0,1,0,0,0,0|3,0,0]=4 1542 B12R1.78 C=Cc1ccc(cc1CO)C=O 271570a_100011290941_100015639582 [0,1,0,0,0,0|3,0,0]=4 1543 B12R1.78 C=Cc1ccc(cc1CO)OC 271570a_100011290941_200011273942 [0,1,0,0,0,0|1,0,0]=2 1544 B12R1.78 C=Cc1ccc(cc1OC)C#N 271570a_100011290941_100012356288 [0,1,0,0,0,0|3,0,0]=4 1545 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [0,1,0,0,0,0|3,0,0]=4 1546 B12R1.78 C=Cc1ccc(cc1OC)CC 271570a_100011290941_200010710389 [0,1,0,0,0,0|2,0,0]=3 1547 B12R1.78 C=Cc1ccc(cc1OC)CO 271570a_100011290941_100010234685 [0,1,0,0,0,0|3,0,0]=4 1548 B12R1.78 C=Cc1ccc(cc1OC)OC 271570a_100011290941_100000750026 [0,1,0,0,0,0|1,0,0]=2 1549 B12R1.78 C=Cc1ccc(nc1C#N)OC 271570a_100011290941_200010187624 [0,1,0,0,0,0|3,0,0]=4 1550 B12R1.78 C=Cc1ccc(nc1C=O)OC 271570a_100011290941_200010173843 [0,1,0,0,0,0|2,0,1]=4 1551 B12R1.78 C=Cc1ccc(nc1CO)OC 271570a_100011290941_100010069746 [0,1,0,0,0,0|2,0,0]=3 1552 B12R1.78 C=Cc1ccc(nc1OC)OC 271570a_100011290941_100009816055 [0,1,0,0,0,0|2,0,0]=3 1553 B12R1.78 C=Cc1cnc(c(c1)OC)C=O 271570a_100011290941_100010246152 [0,1,0,0,0,0|2,0,1]=4 1554 B12R1.78 C=Cc1cnc(cc1C=O)OC 271570a_100011290941_100010171658 [0,1,0,0,0,0|2,0,1]=4 1555 B12R1.78 C=Cc1cnc(cc1CO)OC 271570a_100011290941_100012343675 [0,1,0,0,0,0|2,0,0]=3 1556 B12R1.78 C=Cc1cnc(cc1OC)OC 271570a_100011290941_100010191559 [0,1,0,0,0,0|2,0,0]=3 1557 B12R1.78 C=Cc1cnc(nc1OC)OC 271570a_100011290941_100011215025 [0,1,0,0,0,0|3,0,0]=4 1558 B12R1.78 C=Cc1nc(ccc1C=O)OC 271570a_100011290941_100012351648 [0,1,0,0,0,0|2,0,0]=3 1559 B12R1.78 CCc1cc(ccc1C=O)SC 62a_100010209654_200000210301 [0,1,0,0,0,0|1,1,0]=3 1560 B12R1.78 CCc1cc(ccc1C=O)SC 62a_200000210301_100010209654 [0,1,0,0,0,0|1,1,0]=3 1561 B12R1.78 CCc1cc(ccc1C=O)S[13CH3] 62a_100010209654_200025704644 [0,1,0,0,0,0|1,1,0]=3 1562 B12R1.78 CCc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100010209654 [0,1,0,0,0,0|1,1,0]=3 1563 B12R1.78 CCc1cc(ccc1SC)OC 62a_100000720562_200000210301 [0,1,0,0,0,0|3,0,0]=4 1564 B12R1.78 CCc1cc(ccc1SC)OC 62a_200000210301_100000720562 [0,1,0,0,0,0|3,0,0]=4 1565 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_100000720562_200025704644 [0,1,0,0,0,0|3,0,0]=4 1566 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_200025704644_100000720562 [0,1,0,0,0,0|3,0,0]=4 1567 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [0,1,0,0,0,0|3,0,0]=4 1568 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [0,1,0,0,0,0|3,0,0]=4 1569 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [0,1,0,0,0,0|3,0,0]=4 1570 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [0,1,0,0,0,0|3,0,0]=4 1571 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [0,1,0,0,0,0|3,0,0]=4 1572 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [0,1,0,0,0,0|3,0,0]=4 1573 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200000210301_200010710389 [0,1,0,0,0,0|3,0,0]=4 1574 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200010710389_200000210301 [0,1,0,0,0,0|3,0,0]=4 1575 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200010710389_200025704644 [0,1,0,0,0,0|3,0,0]=4 1576 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_200010710389 [0,1,0,0,0,0|3,0,0]=4 1577 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [0,1,0,0,0,0|3,0,0]=4 1578 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [0,1,0,0,0,0|3,0,0]=4 1579 B12R1.78 CCc1ccc(cc1CO)SC 62a_100010766240_200000210301 [0,1,0,0,0,0|1,1,1]=4 1580 B12R1.78 CCc1ccc(cc1CO)SC 62a_200000210301_100010766240 [0,1,0,0,0,0|1,1,1]=4 1581 B12R1.78 CCc1ccc(cc1CO)S[13CH3] 62a_100010766240_200025704644 [0,1,0,0,0,0|1,1,1]=4 1582 B12R1.78 CCc1ccc(cc1CO)S[13CH3] 62a_200025704644_100010766240 [0,1,0,0,0,0|1,1,1]=4 1583 B12R1.78 CCc1ccc(cc1OC)SC 62a_200000210301_200010710398 [0,1,0,0,0,0|1,1,1]=4 1584 B12R1.78 CCc1ccc(cc1OC)SC 62a_200010710398_200000210301 [0,1,0,0,0,0|1,1,1]=4 1585 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200010710398_200025704644 [0,1,0,0,0,0|1,1,1]=4 1586 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200025704644_200010710398 [0,1,0,0,0,0|1,1,1]=4 1587 B12R1.78 CNc1cc(ccc1C#N)OC 2230a_100000687564_200000210301 [0,1,0,0,0,0|2,0,1]=4 1588 B12R1.78 CNc1cc(ccc1C#N)OC 34a_100000687564_200000210301 [0,1,0,0,0,0|2,0,1]=4 1589 B12R1.78 CNc1cc(ccc1C#N)OC 7a_100000687564_200000210301 [0,1,0,0,0,0|2,0,1]=4 1590 B12R1.78 CNc1cc(ccc1CO)OC 34a_100011998734_200000210301 [0,1,0,0,0,0|1,0,2]=4 1591 B12R1.78 CNc1cc(ccc1OC)OC 2230a_100000184736_200000210301 [0,1,0,0,0,0|3,0,0]=4 1592 B12R1.78 CNc1cc(ccc1OC)OC 34a_100000184736_200000210301 [0,1,0,0,0,0|3,0,0]=4 1593 B12R1.78 CNc1ccc(c(c1)OC)C#N 34a_100011999456_200000210301 [0,1,0,0,0,0|2,0,1]=4 1594 B12R1.78 CNc1ccc(c(c1)OC)CO 34a_100012183141_200000210301 [0,1,0,0,0,0|1,0,2]=4 1595 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [0,1,0,0,0,0|3,0,0]=4 1596 B12R1.78 CNc1ccc(cc1C#N)OC 34a_100011997231_200000210301 [0,1,0,0,0,0|3,0,0]=4 1597 B12R1.78 CNc1ccc(cc1CO)OC 34a_100012001277_200000210301 [0,1,0,0,0,0|2,0,0]=3 1598 B12R1.78 CNc1ccc(cc1OC)OC 2230a_100000211191_200000210301 [0,1,0,0,0,0|2,0,0]=3 1599 B12R1.78 CNc1ccc(cc1OC)OC 34a_100000211191_200000210301 [0,1,0,0,0,0|2,0,0]=3 1600 B12R1.78 CNc1ccc(cc1OC)SC 2230a_100000766855_200000210301 [0,1,0,0,0,0|2,1,0]=4 1601 B12R1.78 CNc1ccc(cc1OC)SC 34a_100000766855_200000210301 [0,1,0,0,0,0|2,1,0]=4 1602 B12R1.78 COc1cc(c(cn1)SC)CO 62a_100012343675_200000210301 [0,1,0,0,0,0|3,0,0]=4 1603 B12R1.78 COc1cc(c(cn1)SC)CO 62a_200000210301_100012343675 [0,1,0,0,0,0|3,0,0]=4 1604 B12R1.78 COc1cc(c(cn1)SC)OC 62a_100010191559_200000210301 [0,1,0,0,0,0|3,0,0]=4 1605 B12R1.78 COc1cc(c(cn1)SC)OC 62a_200000210301_100010191559 [0,1,0,0,0,0|3,0,0]=4 1606 B12R1.78 COc1cc(c(cn1)S[13CH3])CO 62a_100012343675_200025704644 [0,1,0,0,0,0|3,0,0]=4 1607 B12R1.78 COc1cc(c(cn1)S[13CH3])CO 62a_200025704644_100012343675 [0,1,0,0,0,0|3,0,0]=4 1608 B12R1.78 COc1cc(c(cn1)S[13CH3])OC 62a_100010191559_200025704644 [0,1,0,0,0,0|3,0,0]=4 1609 B12R1.78 COc1cc(c(cn1)S[13CH3])OC 62a_200025704644_100010191559 [0,1,0,0,0,0|3,0,0]=4 1610 B12R1.78 COc1cc(ccc1C#N)N[13CH3] 34a_100011999456_200025704644 [0,1,0,0,0,0|2,0,1]=4 1611 B12R1.78 COc1cc(ccc1C#N)SC 62a_200000210301_100000694671 [0,1,0,0,0,0|1,1,1]=4 1612 B12R1.78 COc1cc(ccc1C#N)S[13CH3] 62a_200025704644_100000694671 [0,1,0,0,0,0|1,1,1]=4 1613 B12R1.78 COc1cc(ccc1C=O)SC 62a_100000697075_200000210301 [0,1,0,0,0,0|0,1,0]=2 1614 B12R1.78 COc1cc(ccc1C=O)SC 62a_200000210301_100010290300 [0,1,0,0,0,0|0,1,0]=2 1615 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_100000697075_200025704644 [0,1,0,0,0,0|0,1,0]=2 1616 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100010290300 [0,1,0,0,0,0|0,1,0]=2 1617 B12R1.78 COc1cc(ccc1CO)N[13CH3] 34a_100012183141_200025704644 [0,1,0,0,0,0|1,0,2]=4 1618 B12R1.78 COc1cc(ccc1CO)O[13CH3] 34a_200000116926_200025704644 [0,1,0,0,0,0|0,0,2]=3 1619 B12R1.78 COc1cc(ccc1CO)SC 62a_100011277633_200000210301 [0,1,0,0,0,0|0,1,2]=4 1620 B12R1.78 COc1cc(ccc1CO)SC 62a_200000210301_100011277633 [0,1,0,0,0,0|0,1,2]=4 1621 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_100011277633_200025704644 [0,1,0,0,0,0|0,1,2]=4 1622 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_200025704644_100011277633 [0,1,0,0,0,0|0,1,2]=4 1623 B12R1.78 COc1cc(ccc1N[13CH3])SC 2230a_100000766855_200025704644 [0,1,0,0,0,0|2,1,0]=4 1624 B12R1.78 COc1cc(ccc1N[13CH3])SC 34a_100000766855_200025704644 [0,1,0,0,0,0|2,1,0]=4 1625 B12R1.78 COc1cc(ccc1SC)SC 62a_200011001119_200000210301 [0,1,0,0,0,0|2,1,0]=4 1626 B12R1.78 COc1cc(ccc1SC)S[13CH3] 62a_200011001119_200025704644 [0,1,0,0,0,0|2,1,0]=4 1627 B12R1.78 COc1cc(cnc1C=O)SC 62a_100010246152_200000210301 [0,1,0,0,0,0|1,1,0]=3 1628 B12R1.78 COc1cc(cnc1C=O)SC 62a_200000210301_100010246152 [0,1,0,0,0,0|1,1,0]=3 1629 B12R1.78 COc1cc(cnc1C=O)S[13CH3] 62a_100010246152_200025704644 [0,1,0,0,0,0|1,1,0]=3 1630 B12R1.78 COc1cc(cnc1C=O)S[13CH3] 62a_200025704644_100010246152 [0,1,0,0,0,0|1,1,0]=3 1631 B12R1.78 COc1cc(ncc1C=O)SC 62a_100009846838_200000210301 [0,1,0,0,0,0|1,1,0]=3 1632 B12R1.78 COc1cc(ncc1C=O)SC 62a_200000210301_100009846838 [0,1,0,0,0,0|1,1,0]=3 1633 B12R1.78 COc1cc(ncc1C=O)S[13CH3] 62a_100009846838_200025704644 [0,1,0,0,0,0|1,1,0]=3 1634 B12R1.78 COc1cc(ncc1C=O)S[13CH3] 62a_200025704644_100009846838 [0,1,0,0,0,0|1,1,0]=3 1635 B12R1.78 COc1ccc(c(c1)C#N)C#N 34a_100000038067_200000210301 [0,1,0,0,0,0|2,0,1]=4 1636 B12R1.78 COc1ccc(c(c1)C#N)C#N 7a_100000038067_200000210301 [0,1,0,0,0,0|2,0,1]=4 1637 B12R1.78 COc1ccc(c(c1)C#N)N[13CH3] 34a_100011997231_200025704644 [0,1,0,0,0,0|3,0,0]=4 1638 B12R1.78 COc1ccc(c(c1)C#N)OC 34a_200011934229_200000210301 [0,1,0,0,0,0|3,0,0]=4 1639 B12R1.78 COc1ccc(c(c1)C#N)OC 7a_200011934229_200000210301 [0,1,0,0,0,0|3,0,0]=4 1640 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 34a_200011934229_200025704644 [0,1,0,0,0,0|3,0,0]=4 1641 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 7a_200011934229_200025704644 [0,1,0,0,0,0|3,0,0]=4 1642 B12R1.78 COc1ccc(c(c1)C#N)SC 62a_200000210301_100000748272 [0,1,0,0,0,0|3,0,0]=4 1643 B12R1.78 COc1ccc(c(c1)C#N)S[13CH3] 62a_200025704644_100000748272 [0,1,0,0,0,0|3,0,0]=4 1644 B12R1.78 COc1ccc(c(c1)C=O)SC 62a_100000691568_200000210301 [0,1,0,0,0,0|2,0,1]=4 1645 B12R1.78 COc1ccc(c(c1)C=O)SC 62a_200000210301_100000691568 [0,1,0,0,0,0|2,0,1]=4 1646 B12R1.78 COc1ccc(c(c1)C=O)S[13CH3] 62a_100000691568_200025704644 [0,1,0,0,0,0|2,0,1]=4 1647 B12R1.78 COc1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100000691568 [0,1,0,0,0,0|2,0,1]=4 1648 B12R1.78 COc1ccc(c(c1)CN)SC 62a_100000741592_200000210301 [0,1,0,0,0,0|3,0,0]=4 1649 B12R1.78 COc1ccc(c(c1)CN)SC 62a_200000210301_100000741592 [0,1,0,0,0,0|3,0,0]=4 1650 B12R1.78 COc1ccc(c(c1)CN)S[13CH3] 62a_100000741592_200025704644 [0,1,0,0,0,0|3,0,0]=4 1651 B12R1.78 COc1ccc(c(c1)CN)S[13CH3] 62a_200025704644_100000741592 [0,1,0,0,0,0|3,0,0]=4 1652 B12R1.78 COc1ccc(c(c1)CO)N[13CH3] 34a_100012001277_200025704644 [0,1,0,0,0,0|2,0,0]=3 1653 B12R1.78 COc1ccc(c(c1)CO)SC 62a_200000210301_200011273942 [0,1,0,0,0,0|2,0,0]=3 1654 B12R1.78 COc1ccc(c(c1)CO)SC 62a_200011273942_200000210301 [0,1,0,0,0,0|2,0,0]=3 1655 B12R1.78 COc1ccc(c(c1)CO)S[13CH3] 62a_200011273942_200025704644 [0,1,0,0,0,0|2,0,0]=3 1656 B12R1.78 COc1ccc(c(c1)CO)S[13CH3] 62a_200025704644_200011273942 [0,1,0,0,0,0|2,0,0]=3 1657 B12R1.78 COc1ccc(c(c1)N[13CH3])C#N 2230a_100000687564_200025704644 [0,1,0,0,0,0|2,0,1]=4 1658 B12R1.78 COc1ccc(c(c1)N[13CH3])C#N 34a_100000687564_200025704644 [0,1,0,0,0,0|2,0,1]=4 1659 B12R1.78 COc1ccc(c(c1)N[13CH3])C#N 7a_100000687564_200025704644 [0,1,0,0,0,0|2,0,1]=4 1660 B12R1.78 COc1ccc(c(c1)N[13CH3])CO 34a_100011998734_200025704644 [0,1,0,0,0,0|1,0,2]=4 1661 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 2230a_100000184736_200025704644 [0,1,0,0,0,0|3,0,0]=4 1662 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 34a_100000184736_200025704644 [0,1,0,0,0,0|3,0,0]=4 1663 B12R1.78 COc1ccc(c(c1)OC)C#N 34a_100011999188_200000210301 [0,1,0,0,0,0|1,0,1]=3 1664 B12R1.78 COc1ccc(c(c1)OC)C#N 7a_100011999188_200000210301 [0,1,0,0,0,0|1,0,1]=3 1665 B12R1.78 COc1ccc(c(c1)OC)CO 34a_200000116926_200000210301 [0,1,0,0,0,0|0,0,2]=3 1666 B12R1.78 COc1ccc(c(c1)OC)N=O 34a_200010658452_200000210301 [0,1,0,0,0,0|1,0,0]=2 1667 B12R1.78 COc1ccc(c(c1)OC)N=O 7a_200010658452_200000210301 [0,1,0,0,0,0|1,0,0]=2 1668 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 2230a_100000211191_200025704644 [0,1,0,0,0,0|2,0,0]=3 1669 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 34a_100000211191_200025704644 [0,1,0,0,0,0|2,0,0]=3 1670 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [0,1,0,0,0,0|2,0,0]=3 1671 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [0,1,0,0,0,0|2,0,0]=3 1672 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [0,1,0,0,0,0|2,0,0]=3 1673 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [0,1,0,0,0,0|2,0,0]=3 1674 B12R1.78 COc1ccc(c(c1)OC)SC 62a_100000750026_200000210301 [0,1,0,0,0,0|2,0,0]=3 1675 B12R1.78 COc1ccc(c(c1)OC)SC 62a_200000210301_100000750026 [0,1,0,0,0,0|2,0,0]=3 1676 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_100000750026_200025704644 [0,1,0,0,0,0|2,0,0]=3 1677 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100000750026 [0,1,0,0,0,0|2,0,0]=3 1678 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 34a_100011999188_200025704644 [0,1,0,0,0,0|1,0,1]=3 1679 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 7a_100011999188_200025704644 [0,1,0,0,0,0|1,0,1]=3 1680 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 34a_200010658452_200025704644 [0,1,0,0,0,0|1,0,0]=2 1681 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 7a_200010658452_200025704644 [0,1,0,0,0,0|1,0,0]=2 1682 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [0,1,0,0,0,0|2,0,0]=3 1683 B12R1.78 COc1ccc(c(c1)SC)C#N 62a_200000210301_100012355471 [0,1,0,0,0,0|1,1,1]=4 1684 B12R1.78 COc1ccc(c(c1)SC)C=O 62a_100000723261_200000210301 [0,1,0,0,0,0|0,1,0]=2 1685 B12R1.78 COc1ccc(c(c1)SC)C=O 62a_200000210301_100000723261 [0,1,0,0,0,0|0,1,0]=2 1686 B12R1.78 COc1ccc(c(c1)SC)CO 62a_100011982768_200000210301 [0,1,0,0,0,0|0,1,2]=4 1687 B12R1.78 COc1ccc(c(c1)SC)CO 62a_200000210301_100011982768 [0,1,0,0,0,0|0,1,2]=4 1688 B12R1.78 COc1ccc(c(c1)SC)OC 62a_100011215452_200000210301 [0,1,0,0,0,0|2,1,0]=4 1689 B12R1.78 COc1ccc(c(c1)SC)OC 62a_200000210301_100011215452 [0,1,0,0,0,0|2,1,0]=4 1690 B12R1.78 COc1ccc(c(c1)S[13CH3])C#N 62a_200025704644_100012355471 [0,1,0,0,0,0|1,1,1]=4 1691 B12R1.78 COc1ccc(c(c1)S[13CH3])C=O 62a_100000723261_200025704644 [0,1,0,0,0,0|0,1,0]=2 1692 B12R1.78 COc1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100000723261 [0,1,0,0,0,0|0,1,0]=2 1693 B12R1.78 COc1ccc(c(c1)S[13CH3])CO 62a_100011982768_200025704644 [0,1,0,0,0,0|0,1,2]=4 1694 B12R1.78 COc1ccc(c(c1)S[13CH3])CO 62a_200025704644_100011982768 [0,1,0,0,0,0|0,1,2]=4 1695 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_100011215452_200025704644 [0,1,0,0,0,0|2,1,0]=4 1696 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100011215452 [0,1,0,0,0,0|2,1,0]=4 1697 B12R1.78 COc1ccc(c(n1)CO)SC 62a_100010069746_200000210301 [0,1,0,0,0,0|3,0,0]=4 1698 B12R1.78 COc1ccc(c(n1)CO)SC 62a_200000210301_100010069746 [0,1,0,0,0,0|3,0,0]=4 1699 B12R1.78 COc1ccc(c(n1)CO)S[13CH3] 62a_100010069746_200025704644 [0,1,0,0,0,0|3,0,0]=4 1700 B12R1.78 COc1ccc(c(n1)CO)S[13CH3] 62a_200025704644_100010069746 [0,1,0,0,0,0|3,0,0]=4 1701 B12R1.78 COc1ccc(c(n1)OC)OC 34a_100000085135_200000210301 [0,1,0,0,0,0|3,0,0]=4 1702 B12R1.78 COc1ccc(c(n1)OC)O[13CH3] 34a_100000085135_200025704644 [0,1,0,0,0,0|3,0,0]=4 1703 B12R1.78 COc1ccc(c(n1)OC)SC 62a_100009816055_200000210301 [0,1,0,0,0,0|3,0,0]=4 1704 B12R1.78 COc1ccc(c(n1)OC)SC 62a_200000210301_100009816055 [0,1,0,0,0,0|3,0,0]=4 1705 B12R1.78 COc1ccc(c(n1)OC)S[13CH3] 62a_100009816055_200025704644 [0,1,0,0,0,0|3,0,0]=4 1706 B12R1.78 COc1ccc(c(n1)OC)S[13CH3] 62a_200025704644_100009816055 [0,1,0,0,0,0|3,0,0]=4 1707 B12R1.78 COc1ccc(c(n1)SC)C=O 62a_100012351648_200000210301 [0,1,0,0,0,0|1,1,0]=3 1708 B12R1.78 COc1ccc(c(n1)SC)C=O 62a_200000210301_100012351648 [0,1,0,0,0,0|1,1,0]=3 1709 B12R1.78 COc1ccc(c(n1)S[13CH3])C=O 62a_100012351648_200025704644 [0,1,0,0,0,0|1,1,0]=3 1710 B12R1.78 COc1ccc(c(n1)S[13CH3])C=O 62a_200025704644_100012351648 [0,1,0,0,0,0|1,1,0]=3 1711 B12R1.78 COc1ccc(cc1CO)SC 62a_100000204679_200000210301 [0,1,0,0,0,0|2,1,0]=4 1712 B12R1.78 COc1ccc(cc1CO)SC 62a_200000210301_100000204679 [0,1,0,0,0,0|2,1,0]=4 1713 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_100000204679_200025704644 [0,1,0,0,0,0|2,1,0]=4 1714 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_200025704644_100000204679 [0,1,0,0,0,0|2,1,0]=4 1715 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [0,1,0,0,0,0|3,0,0]=4 1716 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [0,1,0,0,0,0|2,0,0]=3 1717 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [0,1,0,0,0,0|2,1,0]=4 1718 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [0,1,0,0,0,0|2,1,0]=4 1719 B12R1.78 COc1cnc(c(c1)SC)C=O 62a_200000210301_200010135874 [0,1,0,0,0,0|1,1,0]=3 1720 B12R1.78 COc1cnc(c(c1)SC)C=O 62a_200010135874_200000210301 [0,1,0,0,0,0|1,1,0]=3 1721 B12R1.78 COc1cnc(c(c1)S[13CH3])C=O 62a_200010135874_200025704644 [0,1,0,0,0,0|1,1,0]=3 1722 B12R1.78 COc1cnc(c(c1)S[13CH3])C=O 62a_200025704644_200010135874 [0,1,0,0,0,0|1,1,0]=3 1723 B12R1.78 COc1nc(ccc1C=O)SC 62a_100009864722_200000210301 [0,1,0,0,0,0|1,1,0]=3 1724 B12R1.78 COc1nc(ccc1C=O)SC 62a_200000210301_100009864722 [0,1,0,0,0,0|1,1,0]=3 1725 B12R1.78 COc1nc(ccc1C=O)S[13CH3] 62a_100009864722_200025704644 [0,1,0,0,0,0|1,1,0]=3 1726 B12R1.78 COc1nc(ccc1C=O)S[13CH3] 62a_200025704644_100009864722 [0,1,0,0,0,0|1,1,0]=3 1727 B12R1.78 CSc1cc(ccc1C=O)C#N 62a_200000210301_100012355658 [0,1,0,0,0,0|2,1,0]=4 1728 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_100015597013_200000210301 [0,1,0,0,0,0|2,1,0]=4 1729 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_200000210301_100015597013 [0,1,0,0,0,0|2,1,0]=4 1730 B12R1.78 CSc1ccc(c(c1)C#N)C=O 62a_200000210301_100012001787 [0,1,0,0,0,0|1,1,0]=3 1731 B12R1.78 CSc1ccc(c(c1)C=O)C=O 62a_200010077131_200000210301 [0,1,0,0,0,0|0,1,1]=3 1732 B12R1.78 CSc1ccc(c(c1)CO)CO 62a_100000719600_200000210301 [0,1,0,0,0,0|0,1,2]=4 1733 B12R1.78 CSc1ccc(c(c1)CO)CO 62a_200000210301_100000719600 [0,1,0,0,0,0|0,1,2]=4 1734 B12R1.78 [13CH3]Oc1ccc(c(c1)C#N)C#N 34a_100000038067_200025704644 [0,1,0,0,0,0|2,0,1]=4 1735 B12R1.78 [13CH3]Oc1ccc(c(c1)C#N)C#N 7a_100000038067_200025704644 [0,1,0,0,0,0|2,0,1]=4 1736 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C#N 62a_200025704644_100012355658 [0,1,0,0,0,0|2,1,0]=4 1737 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_100015597013_200025704644 [0,1,0,0,0,0|2,1,0]=4 1738 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_200025704644_100015597013 [0,1,0,0,0,0|2,1,0]=4 1739 B12R1.78 [13CH3]Sc1ccc(c(c1)C#N)C=O 62a_200025704644_100012001787 [0,1,0,0,0,0|1,1,0]=3 1740 B12R1.78 [13CH3]Sc1ccc(c(c1)C=O)C=O 62a_200010077131_200025704644 [0,1,0,0,0,0|0,1,1]=3 1741 B12R1.78 [13CH3]Sc1ccc(c(c1)CO)CO 62a_100000719600_200025704644 [0,1,0,0,0,0|0,1,2]=4 1742 B12R1.78 [13CH3]Sc1ccc(c(c1)CO)CO 62a_200025704644_100000719600 [0,1,0,0,0,0|0,1,2]=4 1743 B12R1.114 C=C=Cc1ccc(cc1Br)CC 271570a_100015277604_200009997437 [0,1,0,0,0,0|3,0,0]=4 1744 B12R1.114 C=C=Cc1ccc(cc1Br)OC 271570a_100015277604_100012349170 [0,1,0,0,0,0|2,0,0]=3 1745 B12R1.114 C=C=Cc1ccc(cc1C)NC 271570a_100015277604_100102888905 [0,1,0,0,0,0|3,0,0]=4 1746 B12R1.114 C=C=Cc1ccc(cc1C)OC 271570a_100015277604_100000759875 [0,1,0,0,0,0|2,0,0]=3 1747 B12R1.114 C=C=Cc1ccc(cc1F)CC 271570a_100015277604_200010339503 [0,1,0,0,0,0|3,0,0]=4 1748 B12R1.114 C=C=Cc1ccc(cc1F)NC 271570a_100015277604_100012285320 [0,1,0,0,0,0|3,0,0]=4 1749 B12R1.114 C=C=Cc1ccc(cc1F)OC 271570a_100015277604_100000753793 [0,1,0,0,0,0|2,0,0]=3 1750 B12R1.114 C=C=Cc1ccc(cc1F)SC 271570a_100015277604_100009816902 [0,1,0,0,0,0|2,1,0]=4 1751 B12R1.114 C=C=Cc1ccc(cc1N)OC 271570a_100015277604_100000748021 [0,1,0,0,0,0|2,0,0]=3 1752 B12R1.114 C=C=Cc1ccc(cc1O)C#N 271570a_100015277604_100000724445 [0,1,0,0,0,0|3,0,0]=4 1753 B12R1.114 C=C=Cc1ccc(cc1O)C=O 271570a_100015277604_100000041418 [0,1,0,0,0,0|3,0,0]=4 1754 B12R1.114 C=C=Cc1ccc(cc1O)CO 271570a_100015277604_100000049605 [0,1,0,0,0,0|3,0,0]=4 1755 B12R1.114 C=C=Cc1ccc(cc1O)OC 271570a_100015277604_100000719091 [0,1,0,0,0,0|1,0,0]=2 1756 B12R1.114 C=C=Cc1ccc(nc1C)OC 271570a_100015277604_100000766551 [0,1,0,0,0,0|3,0,0]=4 1757 B12R1.114 C=C=Cc1ccc(nc1F)OC 271570a_100015277604_100010067559 [0,1,0,0,0,0|3,0,0]=4 1758 B12R1.114 C=C=Cc1ccc(nc1N)OC 271570a_100015277604_100010187629 [0,1,0,0,0,0|3,0,0]=4 1759 B12R1.114 C=C=Cc1cnc(cc1C)OC 271570a_100015277604_100011934368 [0,1,0,0,0,0|3,0,0]=4 1760 B12R1.114 C=C=Cc1cnc(cc1F)OC 271570a_100015277604_100010136277 [0,1,0,0,0,0|3,0,0]=4 1761 B12R1.114 C=C=Cc1cnc(cc1N)OC 271570a_100015277604_100010254562 [0,1,0,0,0,0|3,0,0]=4 1762 B12R1.114 C=C=Cc1cnc(cc1O)OC 271570a_100015277604_100010738159 [0,1,0,0,0,0|2,0,0]=3 1763 B12R1.114 C=C=Cc1ncc(cc1C)OC 271570a_100015277604_200009851512 [0,1,0,0,0,0|3,0,0]=4 1764 B12R1.114 C=C=Cc1ncc(cc1N)OC 271570a_100015277604_100010074831 [0,1,0,0,0,0|3,0,0]=4 1765 B12R1.114 CC=Cc1ccc(cc1Br)CC 271570a_100016259895_200009997437 [0,1,0,0,0,0|3,0,0]=4 1766 B12R1.114 CC=Cc1ccc(cc1Br)OC 271570a_100016259895_100012349170 [0,1,0,0,0,0|2,0,0]=3 1767 B12R1.114 CC=Cc1ccc(cc1C)NC 271570a_100016259895_100102888905 [0,1,0,0,0,0|3,0,0]=4 1768 B12R1.114 CC=Cc1ccc(cc1C)OC 271570a_100016259895_100000759875 [0,1,0,0,0,0|2,0,0]=3 1769 B12R1.114 CC=Cc1ccc(cc1F)CC 271570a_100016259895_200010339503 [0,1,0,0,0,0|3,0,0]=4 1770 B12R1.114 CC=Cc1ccc(cc1F)NC 271570a_100016259895_100012285320 [0,1,0,0,0,0|3,0,0]=4 1771 B12R1.114 CC=Cc1ccc(cc1F)OC 271570a_100016259895_100000753793 [0,1,0,0,0,0|2,0,0]=3 1772 B12R1.114 CC=Cc1ccc(cc1F)SC 271570a_100016259895_100009816902 [0,1,0,0,0,0|2,1,0]=4 1773 B12R1.114 CC=Cc1ccc(cc1N)OC 271570a_100016259895_100000748021 [0,1,0,0,0,0|2,0,0]=3 1774 B12R1.114 CC=Cc1ccc(cc1O)C#N 271570a_100016259895_100000724445 [0,1,0,0,0,0|3,0,0]=4 1775 B12R1.114 CC=Cc1ccc(cc1O)C=O 271570a_100016259895_100000041418 [0,1,0,0,0,0|3,0,0]=4 1776 B12R1.114 CC=Cc1ccc(cc1O)CO 271570a_100016259895_100000049605 [0,1,0,0,0,0|3,0,0]=4 1777 B12R1.114 CC=Cc1ccc(cc1O)OC 271570a_100016259895_100000719091 [0,1,0,0,0,0|1,0,0]=2 1778 B12R1.114 CC=Cc1ccc(nc1C)OC 271570a_100016259895_100000766551 [0,1,0,0,0,0|3,0,0]=4 1779 B12R1.114 CC=Cc1ccc(nc1F)OC 271570a_100016259895_100010067559 [0,1,0,0,0,0|3,0,0]=4 1780 B12R1.114 CC=Cc1ccc(nc1N)OC 271570a_100016259895_100010187629 [0,1,0,0,0,0|3,0,0]=4 1781 B12R1.114 CC=Cc1cnc(cc1C)OC 271570a_100016259895_100011934368 [0,1,0,0,0,0|3,0,0]=4 1782 B12R1.114 CC=Cc1cnc(cc1F)OC 271570a_100016259895_100010136277 [0,1,0,0,0,0|3,0,0]=4 1783 B12R1.114 CC=Cc1cnc(cc1N)OC 271570a_100016259895_100010254562 [0,1,0,0,0,0|3,0,0]=4 1784 B12R1.114 CC=Cc1cnc(cc1O)OC 271570a_100016259895_100010738159 [0,1,0,0,0,0|2,0,0]=3 1785 B12R1.114 CC=Cc1ncc(cc1C)OC 271570a_100016259895_200009851512 [0,1,0,0,0,0|3,0,0]=4 1786 B12R1.114 CC=Cc1ncc(cc1N)OC 271570a_100016259895_100010074831 [0,1,0,0,0,0|3,0,0]=4 1787 B12R1.114 CCNc1ccc(cc1Br)OC 34a_100015195136_100000210202 [0,1,0,0,0,0|2,0,1]=4 1788 B12R1.114 CCNc1ccc(cc1C)OC 34a_100000750285_100000210202 [0,1,0,0,0,0|2,0,1]=4 1789 B12R1.114 CCNc1ccc(cc1Cl)OC 34a_100000747055_100000210202 [0,1,0,0,0,0|2,0,1]=4 1790 B12R1.114 CCNc1ccc(cc1F)OC 34a_100011299463_100000210202 [0,1,0,0,0,0|2,0,1]=4 1791 B12R1.114 CCNc1ccc(cc1I)OC 34a_100000049804_100000210202 [0,1,0,0,0,0|2,0,1]=4 1792 B12R1.114 CCNc1ccc(cc1O)CC 34a_100000124328_100000210202 [0,1,0,0,0,0|2,0,1]=4 1793 B12R1.114 CCNc1ccc(cc1O)OC 34a_100016989039_100000210202 [0,1,0,0,0,0|1,0,1]=3 1794 B12R1.114 CCOc1ccc(cc1Br)OC 34a_100000685887_100000210202 [0,1,0,0,0,0|2,0,1]=4 1795 B12R1.114 CCOc1ccc(cc1Br)OC 7a_100000685887_100000210202 [0,1,0,0,0,0|2,0,1]=4 1796 B12R1.114 CCOc1ccc(cc1C)OC 34a_100012002223_100000210202 [0,1,0,0,0,0|2,0,1]=4 1797 B12R1.114 CCOc1ccc(cc1C)OC 7a_100012002223_100000210202 [0,1,0,0,0,0|2,0,1]=4 1798 B12R1.114 CCOc1ccc(cc1Cl)OC 34a_100000038596_100000210202 [0,1,0,0,0,0|2,0,1]=4 1799 B12R1.114 CCOc1ccc(cc1Cl)OC 7a_100000038596_100000210202 [0,1,0,0,0,0|2,0,1]=4 1800 B12R1.114 CCOc1ccc(cc1F)OC 34a_100000036999_100000210202 [0,1,0,0,0,0|2,0,1]=4 1801 B12R1.114 CCOc1ccc(cc1F)OC 34a_100012771078_200000210301 [0,1,0,0,0,0|2,0,1]=4 1802 B12R1.114 CCOc1ccc(cc1F)OC 7a_100000036999_100000210202 [0,1,0,0,0,0|2,0,1]=4 1803 B12R1.114 CCOc1ccc(cc1F)OC 7a_100012771078_200000210301 [0,1,0,0,0,0|2,0,1]=4 1804 B12R1.114 CCOc1ccc(cc1F)O[13CH3] 34a_100012771078_200025704644 [0,1,0,0,0,0|2,0,1]=4 1805 B12R1.114 CCOc1ccc(cc1F)O[13CH3] 7a_100012771078_200025704644 [0,1,0,0,0,0|2,0,1]=4 1806 B12R1.114 CCOc1ccc(cc1N)OC 34a_100000188146_100000210202 [0,1,0,0,0,0|2,0,1]=4 1807 B12R1.114 CCSc1ccc(cc1Br)OC 62a_100000210202_100012349170 [0,1,0,0,0,0|2,0,1]=4 1808 B12R1.114 CCSc1ccc(cc1Br)OC 62a_100012349170_100000210202 [0,1,0,0,0,0|2,0,1]=4 1809 B12R1.114 CCSc1ccc(cc1C)OC 62a_100000210202_100000759875 [0,1,0,0,0,0|2,0,1]=4 1810 B12R1.114 CCSc1ccc(cc1C)OC 62a_100000759875_100000210202 [0,1,0,0,0,0|2,0,1]=4 1811 B12R1.114 CCSc1ccc(cc1F)OC 62a_100000210202_100000753793 [0,1,0,0,0,0|2,0,1]=4 1812 B12R1.114 CCSc1ccc(cc1F)OC 62a_100000753793_100000210202 [0,1,0,0,0,0|2,0,1]=4 1813 B12R1.114 CCSc1ccc(cc1N)OC 62a_100000210202_100000748021 [0,1,0,0,0,0|2,0,1]=4 1814 B12R1.114 CCSc1ccc(cc1N)OC 62a_100000748021_100000210202 [0,1,0,0,0,0|2,0,1]=4 1815 B12R1.114 CCSc1ccc(cc1O)OC 62a_100000210202_100000719091 [0,1,0,0,0,0|1,0,1]=3 1816 B12R1.114 CCSc1cnc(cc1O)OC 62a_100000210202_100010738159 [0,1,0,0,0,0|2,0,1]=4 1817 B12R1.114 CCSc1cnc(cc1O)OC 62a_100010738159_100000210202 [0,1,0,0,0,0|2,0,1]=4 1818 B12R1.114 CCc1ccc(c(c1)O)NCF 34a_100000124328_100015361967 [0,1,0,0,0,0|2,0,1]=4 1819 B12R1.114 CNCc1ccc(cc1Br)OC 207a_100102657272_100000723261 [0,1,0,0,0,0|2,0,1]=4 1820 B12R1.114 CNCc1ccc(cc1Br)OC 2230a_106832991635_100011982828 [0,1,0,0,0,0|2,0,1]=4 1821 B12R1.114 CNCc1ccc(cc1Br)OC 26a_100102657272_100000685887 [0,1,0,0,0,0|2,0,1]=4 1822 B12R1.114 CNCc1ccc(cc1Br)OC 270004a_106832991635_100000723261 [0,1,0,0,0,0|2,0,1]=4 1823 B12R1.114 CNCc1ccc(cc1Br)OC 34a_100102657272_100011982828 [0,1,0,0,0,0|2,0,1]=4 1824 B12R1.114 CNCc1ccc(cc1Br)OC 7a_106832991635_100011982828 [0,1,0,0,0,0|2,0,1]=4 1825 B12R1.114 CNCc1ccc(cc1C)OC 207a_100102657272_100011214997 [0,1,0,0,0,0|2,0,1]=4 1826 B12R1.114 CNCc1ccc(cc1C)OC 270004a_106832991635_100011214997 [0,1,0,0,0,0|2,0,1]=4 1827 B12R1.114 CNCc1ccc(cc1Cl)OC 207a_100102657272_100000235372 [0,1,0,0,0,0|2,0,1]=4 1828 B12R1.114 CNCc1ccc(cc1Cl)OC 2230a_106832991635_200011830453 [0,1,0,0,0,0|2,0,1]=4 1829 B12R1.114 CNCc1ccc(cc1Cl)OC 26a_100102657272_100000038596 [0,1,0,0,0,0|2,0,1]=4 1830 B12R1.114 CNCc1ccc(cc1Cl)OC 270004a_106832991635_100000235372 [0,1,0,0,0,0|2,0,1]=4 1831 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100102657272_200011830453 [0,1,0,0,0,0|2,0,1]=4 1832 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100138410423_200000210301 [0,1,0,0,0,0|2,0,1]=4 1833 B12R1.114 CNCc1ccc(cc1Cl)OC 7a_106832991635_200011830453 [0,1,0,0,0,0|2,0,1]=4 1834 B12R1.114 CNCc1ccc(cc1F)OC 207a_100102657272_100011216087 [0,1,0,0,0,0|2,0,1]=4 1835 B12R1.114 CNCc1ccc(cc1F)OC 2230a_106832991635_100011260761 [0,1,0,0,0,0|2,0,1]=4 1836 B12R1.114 CNCc1ccc(cc1F)OC 26a_100102657272_100000036999 [0,1,0,0,0,0|2,0,1]=4 1837 B12R1.114 CNCc1ccc(cc1F)OC 270004a_106832991635_100011216087 [0,1,0,0,0,0|2,0,1]=4 1838 B12R1.114 CNCc1ccc(cc1F)OC 34a_100000687396_200000210301 [0,1,0,0,0,0|2,0,1]=4 1839 B12R1.114 CNCc1ccc(cc1F)OC 34a_100102657272_100011260761 [0,1,0,0,0,0|2,0,1]=4 1840 B12R1.114 CNCc1ccc(cc1F)OC 7a_106832991635_100011260761 [0,1,0,0,0,0|2,0,1]=4 1841 B12R1.114 CNCc1ccc(cc1I)OC 207a_100102657272_100010159643 [0,1,0,0,0,0|2,0,1]=4 1842 B12R1.114 CNCc1ccc(cc1I)OC 270004a_106832991635_100010159643 [0,1,0,0,0,0|2,0,1]=4 1843 B12R1.114 COCc1ccc(cc1Br)OC 34a_100011982768_200000210301 [0,1,0,0,0,0|1,0,2]=4 1844 B12R1.114 COCc1ccc(cc1Br)OC 34a_100138415774_100011982828 [0,1,0,0,0,0|1,0,2]=4 1845 B12R1.114 COCc1ccc(cc1Br)OC 7a_100011982768_200000210301 [0,1,0,0,0,0|1,0,2]=4 1846 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100011982767_200000210301 [0,1,0,0,0,0|1,0,2]=4 1847 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100138415774_200011830453 [0,1,0,0,0,0|1,0,2]=4 1848 B12R1.114 COCc1ccc(cc1Cl)OC 7a_100011982767_200000210301 [0,1,0,0,0,0|1,0,2]=4 1849 B12R1.114 COCc1ccc(cc1F)OC 34a_100011830421_200000210301 [0,1,0,0,0,0|1,0,2]=4 1850 B12R1.114 COCc1ccc(cc1F)OC 34a_100138415774_100011260761 [0,1,0,0,0,0|1,0,2]=4 1851 B12R1.114 COCc1ccc(cc1F)OC 7a_100011830421_200000210301 [0,1,0,0,0,0|1,0,2]=4 1852 B12R1.114 COCc1ccc(cc1N)OC 34a_100011998734_200000210301 [0,1,0,0,0,0|1,0,2]=4 1853 B12R1.114 COc1cc(c(cn1)SCF)O 62a_100010738159_100015361967 [0,1,0,0,0,0|2,0,1]=4 1854 B12R1.114 COc1cc(c(cn1)SCF)O 62a_100015361967_100010738159 [0,1,0,0,0,0|2,0,1]=4 1855 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 34a_100011982768_200025704644 [0,1,0,0,0,0|1,0,2]=4 1856 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 7a_100011982768_200025704644 [0,1,0,0,0,0|1,0,2]=4 1857 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_100011982828_200000210301 [0,1,0,0,0,0|1,1,1]=4 1858 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_200000210301_100011982828 [0,1,0,0,0,0|1,1,1]=4 1859 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_100011982828_200025704644 [0,1,0,0,0,0|1,1,1]=4 1860 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_200025704644_100011982828 [0,1,0,0,0,0|1,1,1]=4 1861 B12R1.114 COc1ccc(c(c1)Br)NCF 34a_100015195136_100015361967 [0,1,0,0,0,0|2,0,1]=4 1862 B12R1.114 COc1ccc(c(c1)Br)OCF 34a_100000685887_100015361967 [0,1,0,0,0,0|2,0,1]=4 1863 B12R1.114 COc1ccc(c(c1)Br)OCF 7a_100000685887_100015361967 [0,1,0,0,0,0|2,0,1]=4 1864 B12R1.114 COc1ccc(c(c1)Br)SCF 62a_100012349170_100015361967 [0,1,0,0,0,0|2,0,1]=4 1865 B12R1.114 COc1ccc(c(c1)Br)SCF 62a_100015361967_100012349170 [0,1,0,0,0,0|2,0,1]=4 1866 B12R1.114 COc1ccc(c(c1)C)NCF 34a_100000750285_100015361967 [0,1,0,0,0,0|2,0,1]=4 1867 B12R1.114 COc1ccc(c(c1)C)OCF 34a_100012002223_100015361967 [0,1,0,0,0,0|2,0,1]=4 1868 B12R1.114 COc1ccc(c(c1)C)OCF 7a_100012002223_100015361967 [0,1,0,0,0,0|2,0,1]=4 1869 B12R1.114 COc1ccc(c(c1)C)SCF 62a_100000759875_100015361967 [0,1,0,0,0,0|2,0,1]=4 1870 B12R1.114 COc1ccc(c(c1)C)SCF 62a_100015361967_100000759875 [0,1,0,0,0,0|2,0,1]=4 1871 B12R1.114 COc1ccc(c(c1)Cl)CN[13CH3] 34a_100138410423_200025704644 [0,1,0,0,0,0|2,0,1]=4 1872 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 34a_100011982767_200025704644 [0,1,0,0,0,0|1,0,2]=4 1873 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 7a_100011982767_200025704644 [0,1,0,0,0,0|1,0,2]=4 1874 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200000210301_200011830453 [0,1,0,0,0,0|1,1,1]=4 1875 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200011830453_200000210301 [0,1,0,0,0,0|1,1,1]=4 1876 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200011830453_200025704644 [0,1,0,0,0,0|1,1,1]=4 1877 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_200011830453 [0,1,0,0,0,0|1,1,1]=4 1878 B12R1.114 COc1ccc(c(c1)Cl)NCF 34a_100000747055_100015361967 [0,1,0,0,0,0|2,0,1]=4 1879 B12R1.114 COc1ccc(c(c1)Cl)OCF 34a_100000038596_100015361967 [0,1,0,0,0,0|2,0,1]=4 1880 B12R1.114 COc1ccc(c(c1)Cl)OCF 7a_100000038596_100015361967 [0,1,0,0,0,0|2,0,1]=4 1881 B12R1.114 COc1ccc(c(c1)F)CN[13CH3] 34a_100000687396_200025704644 [0,1,0,0,0,0|2,0,1]=4 1882 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 34a_100011830421_200025704644 [0,1,0,0,0,0|1,0,2]=4 1883 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 7a_100011830421_200025704644 [0,1,0,0,0,0|1,0,2]=4 1884 B12R1.114 COc1ccc(c(c1)F)CSC 62a_100011260761_200000210301 [0,1,0,0,0,0|1,1,1]=4 1885 B12R1.114 COc1ccc(c(c1)F)CSC 62a_200000210301_100011260761 [0,1,0,0,0,0|1,1,1]=4 1886 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_100011260761_200025704644 [0,1,0,0,0,0|1,1,1]=4 1887 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100011260761 [0,1,0,0,0,0|1,1,1]=4 1888 B12R1.114 COc1ccc(c(c1)F)NCF 34a_100011299463_100015361967 [0,1,0,0,0,0|2,0,1]=4 1889 B12R1.114 COc1ccc(c(c1)F)OCF 34a_100000036999_100015361967 [0,1,0,0,0,0|2,0,1]=4 1890 B12R1.114 COc1ccc(c(c1)F)OCF 7a_100000036999_100015361967 [0,1,0,0,0,0|2,0,1]=4 1891 B12R1.114 COc1ccc(c(c1)F)SCF 62a_100000753793_100015361967 [0,1,0,0,0,0|2,0,1]=4 1892 B12R1.114 COc1ccc(c(c1)F)SCF 62a_100015361967_100000753793 [0,1,0,0,0,0|2,0,1]=4 1893 B12R1.114 COc1ccc(c(c1)I)NCF 34a_100000049804_100015361967 [0,1,0,0,0,0|2,0,1]=4 1894 B12R1.114 COc1ccc(c(c1)N)CO[13CH3] 34a_100011998734_200025704644 [0,1,0,0,0,0|1,0,2]=4 1895 B12R1.114 COc1ccc(c(c1)N)OCF 34a_100000188146_100015361967 [0,1,0,0,0,0|2,0,1]=4 1896 B12R1.114 COc1ccc(c(c1)N)SCF 62a_100000748021_100015361967 [0,1,0,0,0,0|2,0,1]=4 1897 B12R1.114 COc1ccc(c(c1)N)SCF 62a_100015361967_100000748021 [0,1,0,0,0,0|2,0,1]=4 1898 B12R1.114 COc1ccc(c(c1)O)CC#N 271570a_203496583355_100010146818 [0,1,0,0,0,0|1,0,1]=3 1899 B12R1.114 COc1ccc(c(c1)O)NCF 34a_100016989039_100015361967 [0,1,0,0,0,0|1,0,1]=3 1900 B12R1.114 COc1ccc(c(c1)O)SCF 62a_100015361967_100000719091 [0,1,0,0,0,0|1,0,1]=3 1901 B12R1.288 C=C=Cc1ccc(c(c1)Br)C=O 271570a_100015277604_100010185650 [0,1,0,0,0,0|2,0,1]=4 1902 B12R1.288 C=C=Cc1ccc(c(c1)C)C=O 271570a_100015277604_100000687586 [0,1,0,0,0,0|2,0,1]=4 1903 B12R1.288 C=C=Cc1ccc(c(c1)Cl)C=O 271570a_100015277604_100000727542 [0,1,0,0,0,0|2,0,1]=4 1904 B12R1.288 C=C=Cc1ccc(c(c1)F)C=O 271570a_100015277604_100000211676 [0,1,0,0,0,0|2,0,1]=4 1905 B12R1.288 C=C=Cc1ccc(c(c1)N)C=O 271570a_100015277604_100009814810 [0,1,0,0,0,0|2,0,1]=4 1906 B12R1.288 C=C=Cc1ccc(c(c1)O)C=O 271570a_100015277604_100011277552 [0,1,0,0,0,0|1,0,1]=3 1907 B12R1.288 C=Cc1ccc(cc1C)NCC 271570a_100011290941_100015183089 [0,1,0,0,0,0|3,0,0]=4 1908 B12R1.288 C=Cc1ccc(cc1C)OCC 271570a_100011290941_100012344538 [0,1,0,0,0,0|2,0,0]=3 1909 B12R1.288 C=Cc1ccc(cc1F)CCC 271570a_100011290941_200010686677 [0,1,0,0,0,0|3,0,0]=4 1910 B12R1.288 C=Cc1ccc(cc1F)CCO 271570a_100011290941_100012921202 [0,1,0,0,0,0|3,0,0]=4 1911 B12R1.288 C=Cc1ccc(cc1F)COC 271570a_100011290941_100010177442 [0,1,0,0,0,0|2,0,0]=3 1912 B12R1.288 C=Cc1ccc(cc1F)OCC 271570a_100011290941_100000692347 [0,1,0,0,0,0|2,0,0]=3 1913 B12R1.288 C=Cc1ccc(cc1F)SCC 62a_100000210202_100011935271 [0,1,0,0,0,0|2,1,0]=4 1914 B12R1.288 C=Cc1ccc(cc1F)SCC 62a_100011935271_100000210202 [0,1,0,0,0,0|2,1,0]=4 1915 B12R1.288 C=Cc1ccc(cc1F)SCF 62a_100011935271_100015361967 [0,1,0,0,0,0|2,1,0]=4 1916 B12R1.288 C=Cc1ccc(cc1F)SCF 62a_100015361967_100011935271 [0,1,0,0,0,0|2,1,0]=4 1917 B12R1.288 C=Cc1ccc(cc1N)COC 271570a_100011290941_200013033220 [0,1,0,0,0,0|2,0,0]=3 1918 B12R1.288 C=Cc1cnc(cc1C)OCC 271570a_100011290941_200012351029 [0,1,0,0,0,0|3,0,0]=4 1919 B12R1.288 CC=Cc1cc(c(cn1)C=O)C 271570a_100016259895_100000085382 [0,1,0,0,0,0|3,0,0]=4 1920 B12R1.288 CC=Cc1ccc(c(c1)Br)C=O 271570a_100016259895_100010185650 [0,1,0,0,0,0|2,0,0]=3 1921 B12R1.288 CC=Cc1ccc(c(c1)C)C=O 271570a_100016259895_100000687586 [0,1,0,0,0,0|2,0,0]=3 1922 B12R1.288 CC=Cc1ccc(c(c1)Cl)C=O 271570a_100016259895_100000727542 [0,1,0,0,0,0|2,0,0]=3 1923 B12R1.288 CC=Cc1ccc(c(c1)F)C=O 271570a_100016259895_100000211676 [0,1,0,0,0,0|2,0,0]=3 1924 B12R1.288 CC=Cc1ccc(c(c1)N)C=O 271570a_100016259895_100009814810 [0,1,0,0,0,0|2,0,0]=3 1925 B12R1.288 CC=Cc1ccc(c(c1)O)C#N 271570a_100016259895_100011934713 [0,1,0,0,0,0|2,0,1]=4 1926 B12R1.288 CC=Cc1ccc(c(c1)O)C=O 271570a_100016259895_100011277552 [0,1,0,0,0,0|1,0,0]=2 1927 B12R1.288 CC=Cc1ccc(c(c1)O)CO 271570a_100016259895_100000071718 [0,1,0,0,0,0|1,0,2]=4 1928 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [0,1,0,0,0,0|3,0,0]=4 1929 B12R1.288 CC=Cc1ccc(c(n1)C)C=O 271570a_100016259895_100000050599 [0,1,0,0,0,0|3,0,0]=4 1930 B12R1.288 CC=Cc1ccc(c(n1)F)C=O 271570a_100016259895_100010064369 [0,1,0,0,0,0|3,0,0]=4 1931 B12R1.288 CC=Cc1cnc(c(c1)C)C=O 271570a_100016259895_100010185443 [0,1,0,0,0,0|3,0,0]=4 1932 B12R1.288 CC=Cc1cnc(c(c1)F)C=O 271570a_100016259895_100010180630 [0,1,0,0,0,0|3,0,0]=4 1933 B12R1.288 CCNc1ccc(c(c1)O)C#N 34a_100000094571_100000210202 [0,1,0,0,0,0|2,0,1]=4 1934 B12R1.288 CCNc1ccc(c(c1)O)C#N 7a_100000094571_100000210202 [0,1,0,0,0,0|2,0,1]=4 1935 B12R1.288 CCNc1ccc(c(c1)O)OC 34a_100000211920_100000210202 [0,1,0,0,0,0|3,0,0]=4 1936 B12R1.288 CCNc1ccc(c(n1)F)C=O 27a_100015525214_100010064369 [0,1,0,0,0,0|3,0,0]=4 1937 B12R1.288 CCOc1ccc(c(c1)Br)C#N 34a_100012184851_100000210202 [0,1,0,0,0,0|2,0,1]=4 1938 B12R1.288 CCOc1ccc(c(c1)Br)C#N 7a_100012184851_100000210202 [0,1,0,0,0,0|2,0,1]=4 1939 B12R1.288 CCOc1ccc(c(c1)Br)CO 34a_100010146404_100000210202 [0,1,0,0,0,0|1,0,2]=4 1940 B12R1.288 CCOc1ccc(c(c1)Br)CO 7a_100010146404_100000210202 [0,1,0,0,0,0|1,0,2]=4 1941 B12R1.288 CCOc1ccc(c(c1)Br)OC 34a_100010234764_100000210202 [0,1,0,0,0,0|3,0,0]=4 1942 B12R1.288 CCOc1ccc(c(c1)Br)OC 7a_100010234764_100000210202 [0,1,0,0,0,0|3,0,0]=4 1943 B12R1.288 CCOc1ccc(c(c1)C)C#N 34a_100000720286_100000210202 [0,1,0,0,0,0|2,0,1]=4 1944 B12R1.288 CCOc1ccc(c(c1)C)C#N 7a_100000720286_100000210202 [0,1,0,0,0,0|2,0,1]=4 1945 B12R1.288 CCOc1ccc(c(c1)C)NC 2230a_100000742753_200000210301 [0,1,0,0,0,0|3,0,0]=4 1946 B12R1.288 CCOc1ccc(c(c1)C)NC 34a_100000742753_200000210301 [0,1,0,0,0,0|3,0,0]=4 1947 B12R1.288 CCOc1ccc(c(c1)C)NC 34a_100161107805_100000210202 [0,1,0,0,0,0|3,0,0]=4 1948 B12R1.288 CCOc1ccc(c(c1)C)NC 7a_100161107805_100000210202 [0,1,0,0,0,0|3,0,0]=4 1949 B12R1.288 CCOc1ccc(c(c1)C)N[13CH3] 2230a_100000742753_200025704644 [0,1,0,0,0,0|3,0,0]=4 1950 B12R1.288 CCOc1ccc(c(c1)C)N[13CH3] 34a_100000742753_200025704644 [0,1,0,0,0,0|3,0,0]=4 1951 B12R1.288 CCOc1ccc(c(c1)C)OC 34a_100000759738_100000210202 [0,1,0,0,0,0|3,0,0]=4 1952 B12R1.288 CCOc1ccc(c(c1)C)OC 7a_100000759738_100000210202 [0,1,0,0,0,0|3,0,0]=4 1953 B12R1.288 CCOc1ccc(c(c1)C)SC 34a_100000030144_100000210202 [0,1,0,0,0,0|3,0,0]=4 1954 B12R1.288 CCOc1ccc(c(c1)C)SC 62a_200000210301_100012344538 [0,1,0,0,0,0|3,0,0]=4 1955 B12R1.288 CCOc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100012344538 [0,1,0,0,0,0|3,0,0]=4 1956 B12R1.288 CCOc1ccc(c(c1)Cl)C#N 34a_100000716493_100000210202 [0,1,0,0,0,0|2,0,1]=4 1957 B12R1.288 CCOc1ccc(c(c1)Cl)C#N 7a_100000716493_100000210202 [0,1,0,0,0,0|2,0,1]=4 1958 B12R1.288 CCOc1ccc(c(c1)Cl)CC 34a_100009886192_100000210202 [0,1,0,0,0,0|2,0,1]=4 1959 B12R1.288 CCOc1ccc(c(c1)Cl)CC 7a_100009886192_100000210202 [0,1,0,0,0,0|2,0,1]=4 1960 B12R1.288 CCOc1ccc(c(c1)Cl)CN 34a_200161156549_100000210202 [0,1,0,0,0,0|2,0,1]=4 1961 B12R1.288 CCOc1ccc(c(c1)Cl)CO 34a_200000075811_100000210202 [0,1,0,0,0,0|1,0,2]=4 1962 B12R1.288 CCOc1ccc(c(c1)Cl)CO 7a_200000075811_100000210202 [0,1,0,0,0,0|1,0,2]=4 1963 B12R1.288 CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100000210202 [0,1,0,0,0,0|3,0,0]=4 1964 B12R1.288 CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100000210202 [0,1,0,0,0,0|3,0,0]=4 1965 B12R1.288 CCOc1ccc(c(c1)F)C#N 34a_100000753931_100000210202 [0,1,0,0,0,0|2,0,1]=4 1966 B12R1.288 CCOc1ccc(c(c1)F)C#N 7a_100000753931_100000210202 [0,1,0,0,0,0|2,0,1]=4 1967 B12R1.288 CCOc1ccc(c(c1)F)CO 34a_100000084598_100000210202 [0,1,0,0,0,0|1,0,2]=4 1968 B12R1.288 CCOc1ccc(c(c1)F)CO 7a_100000084598_100000210202 [0,1,0,0,0,0|1,0,2]=4 1969 B12R1.288 CCOc1ccc(c(c1)F)NC 2230a_100015186438_200000210301 [0,1,0,0,0,0|3,0,0]=4 1970 B12R1.288 CCOc1ccc(c(c1)F)NC 34a_100015186438_200000210301 [0,1,0,0,0,0|3,0,0]=4 1971 B12R1.288 CCOc1ccc(c(c1)F)N[13CH3] 2230a_100015186438_200025704644 [0,1,0,0,0,0|3,0,0]=4 1972 B12R1.288 CCOc1ccc(c(c1)F)N[13CH3] 34a_100015186438_200025704644 [0,1,0,0,0,0|3,0,0]=4 1973 B12R1.288 CCOc1ccc(c(c1)F)OC 34a_100000746305_100000210202 [0,1,0,0,0,0|3,0,0]=4 1974 B12R1.288 CCOc1ccc(c(c1)F)OC 7a_100000746305_100000210202 [0,1,0,0,0,0|3,0,0]=4 1975 B12R1.288 CCOc1ccc(c(c1)F)SC 62a_100000692347_200000210301 [0,1,0,0,0,0|3,0,0]=4 1976 B12R1.288 CCOc1ccc(c(c1)F)SC 62a_200000210301_100000692347 [0,1,0,0,0,0|3,0,0]=4 1977 B12R1.288 CCOc1ccc(c(c1)F)S[13CH3] 62a_100000692347_200025704644 [0,1,0,0,0,0|3,0,0]=4 1978 B12R1.288 CCOc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000692347 [0,1,0,0,0,0|3,0,0]=4 1979 B12R1.288 CCOc1ccc(c(c1)I)OC 34a_100010084122_100000210202 [0,1,0,0,0,0|3,0,0]=4 1980 B12R1.288 CCOc1ccc(c(c1)I)OC 7a_100010084122_100000210202 [0,1,0,0,0,0|3,0,0]=4 1981 B12R1.288 CCOc1ccc(c(c1)O)C=O 271570a_203496583355_200012721597 [0,1,0,0,0,0|0,0,0]=1 1982 B12R1.288 CCSc1cc(c(cn1)C=O)C 62a_100000085382_100000210202 [0,1,0,0,0,0|2,1,0]=4 1983 B12R1.288 CCSc1cc(c(cn1)C=O)C 62a_100000210202_100000085382 [0,1,0,0,0,0|2,1,0]=4 1984 B12R1.288 CCSc1cc(c(cn1)C=O)N 62a_100000050503_100000210202 [0,1,0,0,0,0|2,1,0]=4 1985 B12R1.288 CCSc1cc(c(cn1)C=O)N 62a_100000210202_100000050503 [0,1,0,0,0,0|2,1,0]=4 1986 B12R1.288 CCSc1ccc(c(c1)Br)C=O 62a_100000210202_100010185650 [0,1,0,0,0,0|1,1,0]=3 1987 B12R1.288 CCSc1ccc(c(c1)Br)C=O 62a_100010185650_100000210202 [0,1,0,0,0,0|1,1,0]=3 1988 B12R1.288 CCSc1ccc(c(c1)C)C=O 62a_100000210202_100000766358 [0,1,0,0,0,0|1,1,0]=3 1989 B12R1.288 CCSc1ccc(c(c1)C)C=O 62a_100000766358_100000210202 [0,1,0,0,0,0|1,1,0]=3 1990 B12R1.288 CCSc1ccc(c(c1)Cl)C=O 62a_100000210202_100000727542 [0,1,0,0,0,0|1,1,0]=3 1991 B12R1.288 CCSc1ccc(c(c1)Cl)C=O 62a_100000727542_100000210202 [0,1,0,0,0,0|1,1,0]=3 1992 B12R1.288 CCSc1ccc(c(c1)F)C=O 62a_100000210202_100000211676 [0,1,0,0,0,0|1,1,0]=3 1993 B12R1.288 CCSc1ccc(c(c1)F)C=O 62a_100000211676_100000210202 [0,1,0,0,0,0|1,1,0]=3 1994 B12R1.288 CCSc1ccc(c(c1)N)C=O 62a_100009814810_100000210202 [0,1,0,0,0,0|1,1,0]=3 1995 B12R1.288 CCSc1ccc(c(c1)O)C#N 62a_100000210202_100011934713 [0,1,0,0,0,0|1,1,1]=4 1996 B12R1.288 CCSc1ccc(c(c1)O)C=O 62a_100000210202_100011277552 [0,1,0,0,0,0|0,1,0]=2 1997 B12R1.288 CCSc1ccc(c(c1)O)C=O 62a_100011277552_100000210202 [0,1,0,0,0,0|0,1,0]=2 1998 B12R1.288 CCSc1ccc(c(c1)O)CO 62a_100000071718_100000210202 [0,1,0,0,0,0|0,1,2]=4 1999 B12R1.288 CCSc1ccc(c(c1)O)CO 62a_100000210202_100000071718 [0,1,0,0,0,0|0,1,2]=4 2000 B12R1.288 CCSc1ccc(c(c1)O)OC 62a_100000210202_100009816560 [0,1,0,0,0,0|2,1,0]=4 2001 B12R1.288 CCSc1ccc(c(n1)C)C=O 62a_100000050599_100000210202 [0,1,0,0,0,0|2,1,0]=4 2002 B12R1.288 CCSc1ccc(c(n1)C)C=O 62a_100000210202_100000050599 [0,1,0,0,0,0|2,1,0]=4 2003 B12R1.288 CCSc1ccc(c(n1)F)C=O 62a_100000210202_100010064369 [0,1,0,0,0,0|2,1,0]=4 2004 B12R1.288 CCSc1ccc(c(n1)F)C=O 62a_100010064369_100000210202 [0,1,0,0,0,0|2,1,0]=4 2005 B12R1.288 CCSc1cnc(c(c1)C)C=O 62a_100000210202_100010185443 [0,1,0,0,0,0|2,1,0]=4 2006 B12R1.288 CCSc1cnc(c(c1)C)C=O 62a_100010185443_100000210202 [0,1,0,0,0,0|2,1,0]=4 2007 B12R1.288 CCSc1cnc(c(c1)F)C=O 62a_100000210202_100010180630 [0,1,0,0,0,0|2,1,0]=4 2008 B12R1.288 CCSc1cnc(c(c1)F)C=O 62a_100010180630_100000210202 [0,1,0,0,0,0|2,1,0]=4 2009 B12R1.288 CCc1ccc(cc1Cl)OCF 34a_100009886192_100015361967 [0,1,0,0,0,0|2,0,1]=4 2010 B12R1.288 CCc1ccc(cc1Cl)OCF 7a_100009886192_100015361967 [0,1,0,0,0,0|2,0,1]=4 2011 B12R1.288 CNCc1ccc(c(c1)F)C=O 2230a_106832991635_100010142638 [0,1,0,0,0,0|2,0,0]=3 2012 B12R1.288 CNCc1ccc(c(c1)F)C=O 34a_100102657272_100010142638 [0,1,0,0,0,0|2,0,0]=3 2013 B12R1.288 CNCc1ccc(c(c1)F)C=O 7a_106832991635_100010142638 [0,1,0,0,0,0|2,0,0]=3 2014 B12R1.288 CNCc1ccc(c(c1)O)OC 34a_100000740000_200000210301 [0,1,0,0,0,0|3,0,0]=4 2015 B12R1.288 CNc1ccc(cc1C)OCF 34a_100161107805_100015361967 [0,1,0,0,0,0|3,0,0]=4 2016 B12R1.288 CNc1ccc(cc1C)OCF 7a_100161107805_100015361967 [0,1,0,0,0,0|3,0,0]=4 2017 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100000246451_200000210301 [0,1,0,0,0,0|3,0,0]=4 2018 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100138415774_200011397701 [0,1,0,0,0,0|3,0,0]=4 2019 B12R1.288 COCc1ccc(c(c1)Br)OC 7a_100000246451_200000210301 [0,1,0,0,0,0|3,0,0]=4 2020 B12R1.288 COCc1ccc(c(c1)C)OC 34a_100138415774_200011290836 [0,1,0,0,0,0|3,0,0]=4 2021 B12R1.288 COCc1ccc(c(c1)C)OC 34a_200011290855_200000210301 [0,1,0,0,0,0|3,0,0]=4 2022 B12R1.288 COCc1ccc(c(c1)C)OC 7a_200011290855_200000210301 [0,1,0,0,0,0|3,0,0]=4 2023 B12R1.288 COCc1ccc(c(c1)Cl)C#N 34a_100009876504_200000210301 [0,1,0,0,0,0|2,0,1]=4 2024 B12R1.288 COCc1ccc(c(c1)Cl)C#N 7a_100009876504_200000210301 [0,1,0,0,0,0|2,0,1]=4 2025 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100000694469_200000210301 [0,1,0,0,0,0|3,0,0]=4 2026 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100138415774_100000693707 [0,1,0,0,0,0|3,0,0]=4 2027 B12R1.288 COCc1ccc(c(c1)Cl)OC 7a_100000694469_200000210301 [0,1,0,0,0,0|3,0,0]=4 2028 B12R1.288 COCc1ccc(c(c1)F)C#N 34a_100000068502_200000210301 [0,1,0,0,0,0|2,0,1]=4 2029 B12R1.288 COCc1ccc(c(c1)F)C#N 34a_100138415774_100011217145 [0,1,0,0,0,0|2,0,1]=4 2030 B12R1.288 COCc1ccc(c(c1)F)C#N 7a_100000068502_200000210301 [0,1,0,0,0,0|2,0,1]=4 2031 B12R1.288 COCc1ccc(c(c1)F)C=O 34a_100138415774_100010142638 [0,1,0,0,0,0|1,0,0]=2 2032 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100000246395_200000210301 [0,1,0,0,0,0|3,0,0]=4 2033 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100138415774_100000189595 [0,1,0,0,0,0|3,0,0]=4 2034 B12R1.288 COCc1ccc(c(c1)F)OC 7a_100000246395_200000210301 [0,1,0,0,0,0|3,0,0]=4 2035 B12R1.288 COCc1ccc(c(c1)F)SC 62a_100010177442_200000210301 [0,1,0,0,0,0|3,0,0]=4 2036 B12R1.288 COCc1ccc(c(c1)F)SC 62a_200000210301_100010177442 [0,1,0,0,0,0|3,0,0]=4 2037 B12R1.288 COCc1ccc(c(c1)F)S[13CH3] 62a_100010177442_200025704644 [0,1,0,0,0,0|3,0,0]=4 2038 B12R1.288 COCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100010177442 [0,1,0,0,0,0|3,0,0]=4 2039 B12R1.288 COCc1ccc(c(c1)I)OC 34a_200000013966_200000210301 [0,1,0,0,0,0|3,0,0]=4 2040 B12R1.288 COCc1ccc(c(c1)I)OC 7a_200000013966_200000210301 [0,1,0,0,0,0|3,0,0]=4 2041 B12R1.288 COCc1ccc(c(c1)N)OC 34a_100011269841_200000210301 [0,1,0,0,0,0|3,0,0]=4 2042 B12R1.288 COCc1ccc(c(c1)N)SC 62a_200000210301_200013033220 [0,1,0,0,0,0|3,0,0]=4 2043 B12R1.288 COCc1ccc(c(c1)N)SC 62a_200013033220_200000210301 [0,1,0,0,0,0|3,0,0]=4 2044 B12R1.288 COCc1ccc(c(c1)N)S[13CH3] 62a_200013033220_200025704644 [0,1,0,0,0,0|3,0,0]=4 2045 B12R1.288 COCc1ccc(c(c1)N)S[13CH3] 62a_200025704644_200013033220 [0,1,0,0,0,0|3,0,0]=4 2046 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 34a_100000246451_200025704644 [0,1,0,0,0,0|3,0,0]=4 2047 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 7a_100000246451_200025704644 [0,1,0,0,0,0|3,0,0]=4 2048 B12R1.288 COc1ccc(cc1Br)OCF 34a_100010234764_100015361967 [0,1,0,0,0,0|3,0,0]=4 2049 B12R1.288 COc1ccc(cc1Br)OCF 7a_100010234764_100015361967 [0,1,0,0,0,0|3,0,0]=4 2050 B12R1.288 COc1ccc(cc1C)CO[13CH3] 34a_200011290855_200025704644 [0,1,0,0,0,0|3,0,0]=4 2051 B12R1.288 COc1ccc(cc1C)CO[13CH3] 7a_200011290855_200025704644 [0,1,0,0,0,0|3,0,0]=4 2052 B12R1.288 COc1ccc(cc1C)OCF 34a_100000759738_100015361967 [0,1,0,0,0,0|3,0,0]=4 2053 B12R1.288 COc1ccc(cc1C)OCF 7a_100000759738_100015361967 [0,1,0,0,0,0|3,0,0]=4 2054 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 34a_100000694469_200025704644 [0,1,0,0,0,0|3,0,0]=4 2055 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 7a_100000694469_200025704644 [0,1,0,0,0,0|3,0,0]=4 2056 B12R1.288 COc1ccc(cc1Cl)OCF 34a_200009861682_100015361967 [0,1,0,0,0,0|3,0,0]=4 2057 B12R1.288 COc1ccc(cc1Cl)OCF 7a_200009861682_100015361967 [0,1,0,0,0,0|3,0,0]=4 2058 B12R1.288 COc1ccc(cc1F)CO[13CH3] 34a_100000246395_200025704644 [0,1,0,0,0,0|3,0,0]=4 2059 B12R1.288 COc1ccc(cc1F)CO[13CH3] 7a_100000246395_200025704644 [0,1,0,0,0,0|3,0,0]=4 2060 B12R1.288 COc1ccc(cc1F)OCF 34a_100000746305_100015361967 [0,1,0,0,0,0|3,0,0]=4 2061 B12R1.288 COc1ccc(cc1F)OCF 7a_100000746305_100015361967 [0,1,0,0,0,0|3,0,0]=4 2062 B12R1.288 COc1ccc(cc1I)CO[13CH3] 34a_200000013966_200025704644 [0,1,0,0,0,0|3,0,0]=4 2063 B12R1.288 COc1ccc(cc1I)CO[13CH3] 7a_200000013966_200025704644 [0,1,0,0,0,0|3,0,0]=4 2064 B12R1.288 COc1ccc(cc1I)OCF 34a_100010084122_100015361967 [0,1,0,0,0,0|3,0,0]=4 2065 B12R1.288 COc1ccc(cc1I)OCF 7a_100010084122_100015361967 [0,1,0,0,0,0|3,0,0]=4 2066 B12R1.288 COc1ccc(cc1N)CO[13CH3] 34a_100011269841_200025704644 [0,1,0,0,0,0|3,0,0]=4 2067 B12R1.288 COc1ccc(cc1O)CCN 271570a_203496583355_103549771065 [0,1,0,0,0,0|3,0,0]=4 2068 B12R1.288 COc1ccc(cc1O)CCO 271570a_203496583355_100011962876 [0,1,0,0,0,0|3,0,0]=4 2069 B12R1.288 COc1ccc(cc1O)CN[13CH3] 34a_100000740000_200025704644 [0,1,0,0,0,0|3,0,0]=4 2070 B12R1.288 COc1ccc(cc1O)NCF 34a_100000211920_100015361967 [0,1,0,0,0,0|3,0,0]=4 2071 B12R1.288 COc1ccc(cc1O)SCF 62a_100015361967_100009816560 [0,1,0,0,0,0|2,1,0]=4 2072 B12R1.288 CSCc1ccc(c(c1)F)C=O 62a_100010142638_200000210301 [0,1,0,0,0,0|1,1,0]=3 2073 B12R1.288 CSCc1ccc(c(c1)F)C=O 62a_200000210301_100010142638 [0,1,0,0,0,0|1,1,0]=3 2074 B12R1.288 CSc1ccc(cc1C)OCF 34a_100000030144_100015361967 [0,1,0,0,0,0|3,0,0]=4 2075 B12R1.288 Cc1cc(ccc1C#N)OCF 34a_100000720286_100015361967 [0,1,0,0,0,0|2,0,1]=4 2076 B12R1.288 Cc1cc(ccc1C#N)OCF 7a_100000720286_100015361967 [0,1,0,0,0,0|2,0,1]=4 2077 B12R1.288 Cc1cc(ccc1C=O)SCF 62a_100000766358_100015361967 [0,1,0,0,0,0|1,1,0]=3 2078 B12R1.288 Cc1cc(ccc1C=O)SCF 62a_100015361967_100000766358 [0,1,0,0,0,0|1,1,0]=3 2079 B12R1.288 Cc1cc(cnc1C=O)SCF 62a_100010185443_100015361967 [0,1,0,0,0,0|2,1,0]=4 2080 B12R1.288 Cc1cc(cnc1C=O)SCF 62a_100015361967_100010185443 [0,1,0,0,0,0|2,1,0]=4 2081 B12R1.288 Cc1cc(ncc1C=O)SCF 62a_100000085382_100015361967 [0,1,0,0,0,0|2,1,0]=4 2082 B12R1.288 Cc1cc(ncc1C=O)SCF 62a_100015361967_100000085382 [0,1,0,0,0,0|2,1,0]=4 2083 B12R1.288 Cc1nc(ccc1C=O)SCF 62a_100000050599_100015361967 [0,1,0,0,0,0|2,1,0]=4 2084 B12R1.288 Cc1nc(ccc1C=O)SCF 62a_100015361967_100000050599 [0,1,0,0,0,0|2,1,0]=4 2085 B12R1.288 N#Cc1ccc(cc1Br)OCF 34a_100012184851_100015361967 [0,1,0,0,0,0|2,0,1]=4 2086 B12R1.288 N#Cc1ccc(cc1Br)OCF 7a_100012184851_100015361967 [0,1,0,0,0,0|2,0,1]=4 2087 B12R1.288 N#Cc1ccc(cc1Cl)OCF 34a_100000716493_100015361967 [0,1,0,0,0,0|2,0,1]=4 2088 B12R1.288 N#Cc1ccc(cc1Cl)OCF 7a_100000716493_100015361967 [0,1,0,0,0,0|2,0,1]=4 2089 B12R1.288 N#Cc1ccc(cc1F)OCF 34a_100000753931_100015361967 [0,1,0,0,0,0|2,0,1]=4 2090 B12R1.288 N#Cc1ccc(cc1F)OCF 7a_100000753931_100015361967 [0,1,0,0,0,0|2,0,1]=4 2091 B12R1.288 N#Cc1ccc(cc1O)NCF 34a_100000094571_100015361967 [0,1,0,0,0,0|2,0,1]=4 2092 B12R1.288 N#Cc1ccc(cc1O)NCF 7a_100000094571_100015361967 [0,1,0,0,0,0|2,0,1]=4 2093 B12R1.288 N#Cc1ccc(cc1O)SCF 62a_100015361967_100011934713 [0,1,0,0,0,0|1,1,1]=4 2094 B12R1.288 NCc1ccc(cc1Cl)OCF 34a_200161156549_100015361967 [0,1,0,0,0,0|2,0,1]=4 2095 B12R1.288 Nc1cc(ccc1C=O)SCF 62a_100009814810_100015361967 [0,1,0,0,0,0|1,1,0]=3 2096 B12R1.288 Nc1cc(ncc1C=O)SCF 62a_100000050503_100015361967 [0,1,0,0,0,0|2,1,0]=4 2097 B12R1.288 Nc1cc(ncc1C=O)SCF 62a_100015361967_100000050503 [0,1,0,0,0,0|2,1,0]=4 2098 B12R1.288 O=Cc1ccc(cc1Br)SCF 62a_100010185650_100015361967 [0,1,0,0,0,0|1,1,0]=3 2099 B12R1.288 O=Cc1ccc(cc1Br)SCF 62a_100015361967_100010185650 [0,1,0,0,0,0|1,1,0]=3 2100 B12R1.288 O=Cc1ccc(cc1Cl)SCF 62a_100000727542_100015361967 [0,1,0,0,0,0|1,1,0]=3 2101 B12R1.288 O=Cc1ccc(cc1Cl)SCF 62a_100015361967_100000727542 [0,1,0,0,0,0|1,1,0]=3 2102 B12R1.288 O=Cc1ccc(cc1F)SCF 62a_100000211676_100015361967 [0,1,0,0,0,0|1,1,0]=3 2103 B12R1.288 O=Cc1ccc(cc1F)SCF 62a_100015361967_100000211676 [0,1,0,0,0,0|1,1,0]=3 2104 B12R1.288 O=Cc1ccc(cc1O)SCF 62a_100011277552_100015361967 [0,1,0,0,0,0|0,1,0]=2 2105 B12R1.288 O=Cc1ccc(cc1O)SCF 62a_100015361967_100011277552 [0,1,0,0,0,0|0,1,0]=2 2106 B12R1.288 O=Cc1ccc(nc1F)SCF 62a_100010064369_100015361967 [0,1,0,0,0,0|2,1,0]=4 2107 B12R1.288 O=Cc1ccc(nc1F)SCF 62a_100015361967_100010064369 [0,1,0,0,0,0|2,1,0]=4 2108 B12R1.288 O=Cc1ncc(cc1F)SCF 62a_100010180630_100015361967 [0,1,0,0,0,0|2,1,0]=4 2109 B12R1.288 O=Cc1ncc(cc1F)SCF 62a_100015361967_100010180630 [0,1,0,0,0,0|2,1,0]=4 2110 B12R1.288 OCc1ccc(cc1Br)OCF 34a_100010146404_100015361967 [0,1,0,0,0,0|1,0,2]=4 2111 B12R1.288 OCc1ccc(cc1Br)OCF 7a_100010146404_100015361967 [0,1,0,0,0,0|1,0,2]=4 2112 B12R1.288 OCc1ccc(cc1Cl)OCF 34a_200000075811_100015361967 [0,1,0,0,0,0|1,0,2]=4 2113 B12R1.288 OCc1ccc(cc1Cl)OCF 7a_200000075811_100015361967 [0,1,0,0,0,0|1,0,2]=4 2114 B12R1.288 OCc1ccc(cc1F)OCF 34a_100000084598_100015361967 [0,1,0,0,0,0|1,0,2]=4 2115 B12R1.288 OCc1ccc(cc1F)OCF 7a_100000084598_100015361967 [0,1,0,0,0,0|1,0,2]=4 2116 B12R1.288 OCc1ccc(cc1O)SCF 62a_100000071718_100015361967 [0,1,0,0,0,0|0,1,2]=4 2117 B12R1.288 OCc1ccc(cc1O)SCF 62a_100015361967_100000071718 [0,1,0,0,0,0|0,1,2]=4 2118 B12R1.288 [13CH3]OCc1ccc(c(c1)Cl)C#N 34a_100009876504_200025704644 [0,1,0,0,0,0|2,0,1]=4 2119 B12R1.288 [13CH3]OCc1ccc(c(c1)Cl)C#N 7a_100009876504_200025704644 [0,1,0,0,0,0|2,0,1]=4 2120 B12R1.288 [13CH3]OCc1ccc(c(c1)F)C#N 34a_100000068502_200025704644 [0,1,0,0,0,0|2,0,1]=4 2121 B12R1.288 [13CH3]OCc1ccc(c(c1)F)C#N 7a_100000068502_200025704644 [0,1,0,0,0,0|2,0,1]=4 2122 B12R1.288 [13CH3]SCc1ccc(c(c1)F)C=O 62a_100010142638_200025704644 [0,1,0,0,0,0|1,1,0]=3 2123 B12R1.288 [13CH3]SCc1ccc(c(c1)F)C=O 62a_200025704644_100010142638 [0,1,0,0,0,0|1,1,0]=3 2124 B12R1.301 C=Cc1c(cc(cc1C)OC)C 271570a_100011290941_100012160682 [0,1,0,0,0,0|2,0,0]=3 2125 B12R1.301 C=Cc1c(cc(cc1F)CC)F 271570a_100011290941_200160481119 [0,1,0,0,0,0|3,0,0]=4 2126 B12R1.301 C=Cc1c(cc(cc1F)OC)F 271570a_100011290941_100011218311 [0,1,0,0,0,0|2,0,0]=3 2127 B12R1.301 C=Cc1cc(c(c(c1)C)C=O)C 271570a_100011290941_100010238521 [0,1,0,0,0,0|2,0,1]=4 2128 B12R1.301 C=Cc1cc(c(c(c1)Cl)C=O)Cl 271570a_100011290941_200011001975 [0,1,0,0,0,0|2,0,1]=4 2129 B12R1.301 C=Cc1cc(c(c(c1)F)C=O)F 271570a_100011290941_100000036707 [0,1,0,0,0,0|2,0,1]=4 2130 B12R1.301 C=Cc1cc(c(c(c1)F)C=O)O 271570a_100011290941_100010762571 [0,1,0,0,0,0|1,0,1]=3 2131 B12R1.301 CNc1c(cc(cc1Br)OC)Br 34a_100009997310_200000210301 [0,1,0,0,0,0|3,0,0]=4 2132 B12R1.301 CNc1c(cc(cc1Br)OC)C 34a_200011010636_200000210301 [0,1,0,0,0,0|3,0,0]=4 2133 B12R1.301 CNc1c(cc(cc1C)OC)C 34a_100009848961_200000210301 [0,1,0,0,0,0|3,0,0]=4 2134 B12R1.301 CNc1c(cc(cc1Cl)OC)Cl 34a_100000074854_200000210301 [0,1,0,0,0,0|3,0,0]=4 2135 B12R1.301 CNc1c(cc(cc1F)OC)F 34a_100011383474_200000210301 [0,1,0,0,0,0|3,0,0]=4 2136 B12R1.301 COc1c(cc(cc1C)O[13CH3])C 34a_100009845414_200025704644 [0,1,0,0,0,0|3,0,0]=4 2137 B12R1.301 COc1c(cc(cc1C)O[13CH3])C 7a_100009845414_200025704644 [0,1,0,0,0,0|3,0,0]=4 2138 B12R1.301 COc1c(cc(cc1Cl)O[13CH3])F 34a_100000061510_200025704644 [0,1,0,0,0,0|3,0,0]=4 2139 B12R1.301 COc1c(cc(cc1Cl)O[13CH3])F 7a_100000061510_200025704644 [0,1,0,0,0,0|3,0,0]=4 2140 B12R1.301 COc1c(cc(cc1F)O[13CH3])F 34a_100000062058_200025704644 [0,1,0,0,0,0|3,0,0]=4 2141 B12R1.301 COc1c(cc(cc1F)O[13CH3])F 7a_100000062058_200025704644 [0,1,0,0,0,0|3,0,0]=4 2142 B12R1.301 COc1cc(c(c(c1)Br)C#N)Br 7a_100010782095_200000210301 [0,1,0,0,0,0|2,0,1]=4 2143 B12R1.301 COc1cc(c(c(c1)Br)N[13CH3])Br 34a_100009997310_200025704644 [0,1,0,0,0,0|3,0,0]=4 2144 B12R1.301 COc1cc(c(c(c1)Br)N[13CH3])C 34a_200011010636_200025704644 [0,1,0,0,0,0|3,0,0]=4 2145 B12R1.301 COc1cc(c(c(c1)Br)OC)N 34a_200010008348_200000210301 [0,1,0,0,0,0|3,0,0]=4 2146 B12R1.301 COc1cc(c(c(c1)Br)O[13CH3])N 34a_200010008348_200025704644 [0,1,0,0,0,0|3,0,0]=4 2147 B12R1.301 COc1cc(c(c(c1)C)C#N)C 34a_100000040683_200000210301 [0,1,0,0,0,0|2,0,1]=4 2148 B12R1.301 COc1cc(c(c(c1)C)C#N)C 7a_100000040683_200000210301 [0,1,0,0,0,0|2,0,1]=4 2149 B12R1.301 COc1cc(c(c(c1)C)N[13CH3])C 34a_100009848961_200025704644 [0,1,0,0,0,0|3,0,0]=4 2150 B12R1.301 COc1cc(c(c(c1)C)OC)C 34a_100009845414_200000210301 [0,1,0,0,0,0|3,0,0]=4 2151 B12R1.301 COc1cc(c(c(c1)C)OC)C 34a_100010658422_200000210301 [0,1,0,0,0,0|3,0,0]=4 2152 B12R1.301 COc1cc(c(c(c1)C)OC)C 7a_100009845414_200000210301 [0,1,0,0,0,0|3,0,0]=4 2153 B12R1.301 COc1cc(c(c(c1)C)OC)C 7a_100010658422_200000210301 [0,1,0,0,0,0|3,0,0]=4 2154 B12R1.301 COc1cc(c(c(c1)C)O[13CH3])C 34a_100010658422_200025704644 [0,1,0,0,0,0|3,0,0]=4 2155 B12R1.301 COc1cc(c(c(c1)C)O[13CH3])C 7a_100010658422_200025704644 [0,1,0,0,0,0|3,0,0]=4 2156 B12R1.301 COc1cc(c(c(c1)C)SC)C 62a_100012160682_200000210301 [0,1,0,0,0,0|3,0,0]=4 2157 B12R1.301 COc1cc(c(c(c1)C)SC)C 62a_200000210301_100012160682 [0,1,0,0,0,0|3,0,0]=4 2158 B12R1.301 COc1cc(c(c(c1)C)S[13CH3])C 62a_100012160682_200025704644 [0,1,0,0,0,0|3,0,0]=4 2159 B12R1.301 COc1cc(c(c(c1)C)S[13CH3])C 62a_200025704644_100012160682 [0,1,0,0,0,0|3,0,0]=4 2160 B12R1.301 COc1cc(c(c(c1)Cl)CO)Cl 34a_100000084600_200000210301 [0,1,0,0,0,0|1,0,2]=4 2161 B12R1.301 COc1cc(c(c(c1)Cl)CO)Cl 7a_100000084600_200000210301 [0,1,0,0,0,0|1,0,2]=4 2162 B12R1.301 COc1cc(c(c(c1)Cl)N[13CH3])Cl 34a_100000074854_200025704644 [0,1,0,0,0,0|3,0,0]=4 2163 B12R1.301 COc1cc(c(c(c1)Cl)OC)F 34a_100000061510_200000210301 [0,1,0,0,0,0|3,0,0]=4 2164 B12R1.301 COc1cc(c(c(c1)Cl)OC)F 7a_100000061510_200000210301 [0,1,0,0,0,0|3,0,0]=4 2165 B12R1.301 COc1cc(c(c(c1)F)C#N)F 34a_100000037660_200000210301 [0,1,0,0,0,0|2,0,1]=4 2166 B12R1.301 COc1cc(c(c(c1)F)C#N)F 7a_100000037660_200000210301 [0,1,0,0,0,0|2,0,1]=4 2167 B12R1.301 COc1cc(c(c(c1)F)C=O)O 271570a_203496583355_200021118581 [0,1,0,0,0,0|0,0,0]=1 2168 B12R1.301 COc1cc(c(c(c1)F)CO)F 34a_100000100749_200000210301 [0,1,0,0,0,0|1,0,2]=4 2169 B12R1.301 COc1cc(c(c(c1)F)CO)F 7a_100000100749_200000210301 [0,1,0,0,0,0|1,0,2]=4 2170 B12R1.301 COc1cc(c(c(c1)F)N[13CH3])F 34a_100011383474_200025704644 [0,1,0,0,0,0|3,0,0]=4 2171 B12R1.301 COc1cc(c(c(c1)F)OC)F 34a_100000062058_200000210301 [0,1,0,0,0,0|3,0,0]=4 2172 B12R1.301 COc1cc(c(c(c1)F)OC)F 34a_100000062060_200000210301 [0,1,0,0,0,0|3,0,0]=4 2173 B12R1.301 COc1cc(c(c(c1)F)OC)F 7a_100000062058_200000210301 [0,1,0,0,0,0|3,0,0]=4 2174 B12R1.301 COc1cc(c(c(c1)F)OC)F 7a_100000062060_200000210301 [0,1,0,0,0,0|3,0,0]=4 2175 B12R1.301 COc1cc(c(c(c1)F)O[13CH3])F 34a_100000062060_200025704644 [0,1,0,0,0,0|3,0,0]=4 2176 B12R1.301 COc1cc(c(c(c1)F)O[13CH3])F 7a_100000062060_200025704644 [0,1,0,0,0,0|3,0,0]=4 2177 B12R1.301 COc1cc(c(c(c1)F)SC)F 62a_100011218311_200000210301 [0,1,0,0,0,0|3,0,0]=4 2178 B12R1.301 COc1cc(c(c(c1)F)SC)F 62a_200000210301_100011218311 [0,1,0,0,0,0|3,0,0]=4 2179 B12R1.301 COc1cc(c(c(c1)F)S[13CH3])F 62a_100011218311_200025704644 [0,1,0,0,0,0|3,0,0]=4 2180 B12R1.301 COc1cc(c(c(c1)F)S[13CH3])F 62a_200025704644_100011218311 [0,1,0,0,0,0|3,0,0]=4 2181 B12R1.301 COc1cc(c(c(c1)O)C=O)O 271570a_203496583355_100010762613 [0,1,0,0,0,0|0,0,0]=1 2182 B12R1.301 COc1cc(c(c(c1)O)OC)N 271570a_203496583355_100010294495 [0,1,0,0,0,0|2,0,0]=3 2183 B12R1.301 COc1cc(c(c(c1)O)OC)O 271570a_203496583355_200020900881 [0,1,0,0,0,0|2,0,0]=3 2184 B12R1.301 CSc1cc(c(c(c1)C)C=O)C 62a_100010238521_200000210301 [0,1,0,0,0,0|1,1,0]=3 2185 B12R1.301 CSc1cc(c(c(c1)C)C=O)C 62a_200000210301_100010238521 [0,1,0,0,0,0|1,1,0]=3 2186 B12R1.301 CSc1cc(c(c(c1)Cl)C=O)Cl 62a_200000210301_200011001975 [0,1,0,0,0,0|1,1,0]=3 2187 B12R1.301 CSc1cc(c(c(c1)Cl)C=O)Cl 62a_200011001975_200000210301 [0,1,0,0,0,0|1,1,0]=3 2188 B12R1.301 CSc1cc(c(c(c1)F)C#N)O 62a_200000210301_200011156622 [0,1,0,0,0,0|1,1,1]=4 2189 B12R1.301 CSc1cc(c(c(c1)F)C=O)F 62a_100000036707_200000210301 [0,1,0,0,0,0|1,1,0]=3 2190 B12R1.301 CSc1cc(c(c(c1)F)C=O)F 62a_200000210301_100000036707 [0,1,0,0,0,0|1,1,0]=3 2191 B12R1.301 CSc1cc(c(c(c1)F)C=O)O 62a_100010762571_200000210301 [0,1,0,0,0,0|0,1,0]=2 2192 B12R1.301 CSc1cc(c(c(c1)F)C=O)O 62a_200000210301_100010762571 [0,1,0,0,0,0|0,1,0]=2 2193 B12R1.301 Cc1cc(cc(c1C#N)C)O[13CH3] 34a_100000040683_200025704644 [0,1,0,0,0,0|2,0,1]=4 2194 B12R1.301 Cc1cc(cc(c1C#N)C)O[13CH3] 7a_100000040683_200025704644 [0,1,0,0,0,0|2,0,1]=4 2195 B12R1.301 Cc1cc(cc(c1C=O)C)S[13CH3] 62a_100010238521_200025704644 [0,1,0,0,0,0|1,1,0]=3 2196 B12R1.301 Cc1cc(cc(c1C=O)C)S[13CH3] 62a_200025704644_100010238521 [0,1,0,0,0,0|1,1,0]=3 2197 B12R1.301 [13CH3]Oc1cc(c(c(c1)Br)C#N)Br 7a_100010782095_200025704644 [0,1,0,0,0,0|2,0,1]=4 2198 B12R1.301 [13CH3]Oc1cc(c(c(c1)Cl)CO)Cl 34a_100000084600_200025704644 [0,1,0,0,0,0|1,0,2]=4 2199 B12R1.301 [13CH3]Oc1cc(c(c(c1)Cl)CO)Cl 7a_100000084600_200025704644 [0,1,0,0,0,0|1,0,2]=4 2200 B12R1.301 [13CH3]Oc1cc(c(c(c1)F)C#N)F 34a_100000037660_200025704644 [0,1,0,0,0,0|2,0,1]=4 2201 B12R1.301 [13CH3]Oc1cc(c(c(c1)F)C#N)F 7a_100000037660_200025704644 [0,1,0,0,0,0|2,0,1]=4 2202 B12R1.301 [13CH3]Oc1cc(c(c(c1)F)CO)F 34a_100000100749_200025704644 [0,1,0,0,0,0|1,0,2]=4 2203 B12R1.301 [13CH3]Oc1cc(c(c(c1)F)CO)F 7a_100000100749_200025704644 [0,1,0,0,0,0|1,0,2]=4 2204 B12R1.301 [13CH3]Sc1cc(c(c(c1)Cl)C=O)Cl 62a_200011001975_200025704644 [0,1,0,0,0,0|1,1,0]=3 2205 B12R1.301 [13CH3]Sc1cc(c(c(c1)Cl)C=O)Cl 62a_200025704644_200011001975 [0,1,0,0,0,0|1,1,0]=3 2206 B12R1.301 [13CH3]Sc1cc(c(c(c1)F)C#N)O 62a_200025704644_200011156622 [0,1,0,0,0,0|1,1,1]=4 2207 B12R1.301 [13CH3]Sc1cc(c(c(c1)F)C=O)F 62a_100000036707_200025704644 [0,1,0,0,0,0|1,1,0]=3 2208 B12R1.301 [13CH3]Sc1cc(c(c(c1)F)C=O)F 62a_200025704644_100000036707 [0,1,0,0,0,0|1,1,0]=3 2209 B12R1.301 [13CH3]Sc1cc(c(c(c1)F)C=O)O 62a_100010762571_200025704644 [0,1,0,0,0,0|0,1,0]=2 2210 B12R1.301 [13CH3]Sc1cc(c(c(c1)F)C=O)O 62a_200025704644_100010762571 [0,1,0,0,0,0|0,1,0]=2 2211 B12R1.450 C=Cc1cc(c(cc1C)C=O)C 271570a_100011290941_100012024176 [0,1,0,0,0,0|2,0,1]=4 2212 B12R1.450 C=Cc1cc(c(cc1C)C=O)F 271570a_100011290941_100010186291 [0,1,0,0,0,0|2,0,1]=4 2213 B12R1.450 C=Cc1cc(c(cc1C)C=O)O 271570a_100011290941_200010762526 [0,1,0,0,0,0|1,0,1]=3 2214 B12R1.450 C=Cc1cc(c(cc1C)OC)C 271570a_100011290941_100000698960 [0,1,0,0,0,0|2,0,0]=3 2215 B12R1.450 C=Cc1cc(c(cc1C)OC)F 271570a_100011290941_100010074640 [0,1,0,0,0,0|2,0,0]=3 2216 B12R1.450 C=Cc1cc(c(cc1Cl)OC)N 271570a_100011290941_100011011177 [0,1,0,0,0,0|2,0,0]=3 2217 B12R1.450 C=Cc1cc(c(cc1F)C=O)C 271570a_100011290941_100010186292 [0,1,0,0,0,0|2,0,1]=4 2218 B12R1.450 C=Cc1cc(c(cc1F)C=O)F 271570a_100011290941_100011998483 [0,1,0,0,0,0|2,0,1]=4 2219 B12R1.450 C=Cc1cc(c(cc1F)C=O)O 271570a_100011290941_200010762562 [0,1,0,0,0,0|1,0,1]=3 2220 B12R1.450 C=Cc1cc(c(cc1F)OC)F 271570a_100011290941_100009813720 [0,1,0,0,0,0|2,0,0]=3 2221 B12R1.450 C=Cc1cc(c(cc1F)OC)N 271570a_100011290941_100012361397 [0,1,0,0,0,0|2,0,0]=3 2222 B12R1.450 C=Cc1cc(c(cc1N)OC)C 271570a_100011290941_100010244135 [0,1,0,0,0,0|2,0,0]=3 2223 B12R1.450 C=Cc1cc(c(cc1N)OC)F 271570a_100011290941_100010208193 [0,1,0,0,0,0|2,0,0]=3 2224 B12R1.450 C=Cc1cc(c(cc1O)C=O)O 271570a_100011290941_100010888506 [0,1,0,0,0,0|1,0,1]=3 2225 B12R1.450 CNc1cc(c(cc1Br)OC)C 34a_200010584344_200000210301 [0,1,0,0,0,0|3,0,0]=4 2226 B12R1.450 CNc1cc(c(cc1Br)OC)C 7a_200010584344_200000210301 [0,1,0,0,0,0|3,0,0]=4 2227 B12R1.450 CNc1cc(c(cc1Br)OC)F 34a_100010365326_200000210301 [0,1,0,0,0,0|3,0,0]=4 2228 B12R1.450 CNc1cc(c(cc1C)OC)Br 34a_106657271712_200000210301 [0,1,0,0,0,0|3,0,0]=4 2229 B12R1.450 CNc1cc(c(cc1C)OC)Br 7a_106657271712_200000210301 [0,1,0,0,0,0|3,0,0]=4 2230 B12R1.450 CNc1cc(c(cc1C)OC)Cl 34a_100012039520_200000210301 [0,1,0,0,0,0|3,0,0]=4 2231 B12R1.450 CNc1cc(c(cc1C)OC)Cl 7a_100012039520_200000210301 [0,1,0,0,0,0|3,0,0]=4 2232 B12R1.450 CNc1cc(c(cc1Cl)OC)Cl 34a_100011935304_200000210301 [0,1,0,0,0,0|3,0,0]=4 2233 B12R1.450 COc1cc(c(cc1Br)C#N)F 34a_100011015635_200000210301 [0,1,0,0,0,0|2,0,1]=4 2234 B12R1.450 COc1cc(c(cc1Br)C#N)F 7a_100011015635_200000210301 [0,1,0,0,0,0|2,0,1]=4 2235 B12R1.450 COc1cc(c(cc1Br)N[13CH3])C 34a_106657271712_200025704644 [0,1,0,0,0,0|3,0,0]=4 2236 B12R1.450 COc1cc(c(cc1Br)N[13CH3])C 7a_106657271712_200025704644 [0,1,0,0,0,0|3,0,0]=4 2237 B12R1.450 COc1cc(c(cc1C)C#N)C 34a_200000077602_200000210301 [0,1,0,0,0,0|2,0,1]=4 2238 B12R1.450 COc1cc(c(cc1C)C#N)C 7a_200000077602_200000210301 [0,1,0,0,0,0|2,0,1]=4 2239 B12R1.450 COc1cc(c(cc1C)N[13CH3])Br 34a_200010584344_200025704644 [0,1,0,0,0,0|3,0,0]=4 2240 B12R1.450 COc1cc(c(cc1C)N[13CH3])Br 7a_200010584344_200025704644 [0,1,0,0,0,0|3,0,0]=4 2241 B12R1.450 COc1cc(c(cc1C)OC)O 271570a_203496583355_100000039368 [0,1,0,0,0,0|2,0,0]=3 2242 B12R1.450 COc1cc(c(cc1C)SC)C 62a_100000698960_200000210301 [0,1,0,0,0,0|3,0,0]=4 2243 B12R1.450 COc1cc(c(cc1C)SC)C 62a_200000210301_100000698960 [0,1,0,0,0,0|3,0,0]=4 2244 B12R1.450 COc1cc(c(cc1C)SC)N 62a_100010244135_200000210301 [0,1,0,0,0,0|3,0,0]=4 2245 B12R1.450 COc1cc(c(cc1C)SC)N 62a_200000210301_100010244135 [0,1,0,0,0,0|3,0,0]=4 2246 B12R1.450 COc1cc(c(cc1C)S[13CH3])C 62a_100000698960_200025704644 [0,1,0,0,0,0|3,0,0]=4 2247 B12R1.450 COc1cc(c(cc1C)S[13CH3])C 62a_200025704644_100000698960 [0,1,0,0,0,0|3,0,0]=4 2248 B12R1.450 COc1cc(c(cc1C)S[13CH3])N 62a_100010244135_200025704644 [0,1,0,0,0,0|3,0,0]=4 2249 B12R1.450 COc1cc(c(cc1C)S[13CH3])N 62a_200025704644_100010244135 [0,1,0,0,0,0|3,0,0]=4 2250 B12R1.450 COc1cc(c(cc1Cl)C#N)Cl 34a_100013052837_200000210301 [0,1,0,0,0,0|2,0,1]=4 2251 B12R1.450 COc1cc(c(cc1Cl)C#N)Cl 7a_100013052837_200000210301 [0,1,0,0,0,0|2,0,1]=4 2252 B12R1.450 COc1cc(c(cc1Cl)N[13CH3])C 34a_100012039520_200025704644 [0,1,0,0,0,0|3,0,0]=4 2253 B12R1.450 COc1cc(c(cc1Cl)N[13CH3])C 7a_100012039520_200025704644 [0,1,0,0,0,0|3,0,0]=4 2254 B12R1.450 COc1cc(c(cc1Cl)N[13CH3])Cl 34a_100011935304_200025704644 [0,1,0,0,0,0|3,0,0]=4 2255 B12R1.450 COc1cc(c(cc1F)C#N)C 34a_100010746716_200000210301 [0,1,0,0,0,0|2,0,1]=4 2256 B12R1.450 COc1cc(c(cc1F)C#N)C 7a_100010746716_200000210301 [0,1,0,0,0,0|2,0,1]=4 2257 B12R1.450 COc1cc(c(cc1F)C#N)F 34a_100009876755_200000210301 [0,1,0,0,0,0|2,0,1]=4 2258 B12R1.450 COc1cc(c(cc1F)C#N)F 7a_100009876755_200000210301 [0,1,0,0,0,0|2,0,1]=4 2259 B12R1.450 COc1cc(c(cc1F)N[13CH3])Br 34a_100010365326_200025704644 [0,1,0,0,0,0|3,0,0]=4 2260 B12R1.450 COc1cc(c(cc1F)SC)C 62a_100010074640_200000210301 [0,1,0,0,0,0|3,0,0]=4 2261 B12R1.450 COc1cc(c(cc1F)SC)C 62a_200000210301_100010074640 [0,1,0,0,0,0|3,0,0]=4 2262 B12R1.450 COc1cc(c(cc1F)SC)F 62a_100009813720_200000210301 [0,1,0,0,0,0|3,0,0]=4 2263 B12R1.450 COc1cc(c(cc1F)SC)F 62a_200000210301_100009813720 [0,1,0,0,0,0|3,0,0]=4 2264 B12R1.450 COc1cc(c(cc1F)SC)N 62a_100010208193_200000210301 [0,1,0,0,0,0|3,0,0]=4 2265 B12R1.450 COc1cc(c(cc1F)SC)N 62a_200000210301_100010208193 [0,1,0,0,0,0|3,0,0]=4 2266 B12R1.450 COc1cc(c(cc1F)S[13CH3])C 62a_100010074640_200025704644 [0,1,0,0,0,0|3,0,0]=4 2267 B12R1.450 COc1cc(c(cc1F)S[13CH3])C 62a_200025704644_100010074640 [0,1,0,0,0,0|3,0,0]=4 2268 B12R1.450 COc1cc(c(cc1F)S[13CH3])F 62a_100009813720_200025704644 [0,1,0,0,0,0|3,0,0]=4 2269 B12R1.450 COc1cc(c(cc1F)S[13CH3])F 62a_200025704644_100009813720 [0,1,0,0,0,0|3,0,0]=4 2270 B12R1.450 COc1cc(c(cc1F)S[13CH3])N 62a_100010208193_200025704644 [0,1,0,0,0,0|3,0,0]=4 2271 B12R1.450 COc1cc(c(cc1F)S[13CH3])N 62a_200025704644_100010208193 [0,1,0,0,0,0|3,0,0]=4 2272 B12R1.450 COc1cc(c(cc1N)SC)Cl 62a_100011011177_200000210301 [0,1,0,0,0,0|3,0,0]=4 2273 B12R1.450 COc1cc(c(cc1N)SC)Cl 62a_200000210301_100011011177 [0,1,0,0,0,0|3,0,0]=4 2274 B12R1.450 COc1cc(c(cc1N)SC)F 62a_100012361397_200000210301 [0,1,0,0,0,0|3,0,0]=4 2275 B12R1.450 COc1cc(c(cc1N)SC)F 62a_200000210301_100012361397 [0,1,0,0,0,0|3,0,0]=4 2276 B12R1.450 COc1cc(c(cc1N)S[13CH3])Cl 62a_100011011177_200025704644 [0,1,0,0,0,0|3,0,0]=4 2277 B12R1.450 COc1cc(c(cc1N)S[13CH3])Cl 62a_200025704644_100011011177 [0,1,0,0,0,0|3,0,0]=4 2278 B12R1.450 COc1cc(c(cc1N)S[13CH3])F 62a_100012361397_200025704644 [0,1,0,0,0,0|3,0,0]=4 2279 B12R1.450 COc1cc(c(cc1N)S[13CH3])F 62a_200025704644_100012361397 [0,1,0,0,0,0|3,0,0]=4 2280 B12R1.450 COc1cc(c(cc1O)C=O)F 271570a_203496583355_100010244998 [0,1,0,0,0,0|1,0,0]=2 2281 B12R1.450 COc1cc(c(cc1O)C=O)O 271570a_203496583355_100000183646 [0,1,0,0,0,0|0,0,0]=1 2282 B12R1.450 COc1cc(c(cc1O)C=O)O 271570a_203496583355_100009998278 [0,1,0,0,0,0|0,0,0]=1 2283 B12R1.450 COc1cc(c(cc1O)OC)Br 271570a_203496583355_100013799044 [0,1,0,0,0,0|2,0,0]=3 2284 B12R1.450 COc1cc(c(cc1O)OC)Cl 271570a_203496583355_100000023288 [0,1,0,0,0,0|2,0,0]=3 2285 B12R1.450 COc1cc(c(cc1O)OC)O 271570a_203496583355_100009816818 [0,1,0,0,0,0|2,0,0]=3 2286 B12R1.450 CSc1cc(c(cc1C)C=O)C 62a_100012024176_200000210301 [0,1,0,0,0,0|1,1,0]=3 2287 B12R1.450 CSc1cc(c(cc1C)C=O)C 62a_200000210301_100012024176 [0,1,0,0,0,0|1,1,0]=3 2288 B12R1.450 CSc1cc(c(cc1C)C=O)F 62a_100010186291_200000210301 [0,1,0,0,0,0|1,1,0]=3 2289 B12R1.450 CSc1cc(c(cc1C)C=O)F 62a_200000210301_100010186291 [0,1,0,0,0,0|1,1,0]=3 2290 B12R1.450 CSc1cc(c(cc1C)C=O)O 62a_200000210301_200010762526 [0,1,0,0,0,0|0,1,0]=2 2291 B12R1.450 CSc1cc(c(cc1C)C=O)O 62a_200010762526_200000210301 [0,1,0,0,0,0|0,1,0]=2 2292 B12R1.450 CSc1cc(c(cc1F)C#N)O 62a_200000210301_200010827376 [0,1,0,0,0,0|1,1,1]=4 2293 B12R1.450 CSc1cc(c(cc1F)C=O)C 62a_100010186292_200000210301 [0,1,0,0,0,0|1,1,0]=3 2294 B12R1.450 CSc1cc(c(cc1F)C=O)C 62a_200000210301_100010186292 [0,1,0,0,0,0|1,1,0]=3 2295 B12R1.450 CSc1cc(c(cc1F)C=O)F 62a_100011998483_200000210301 [0,1,0,0,0,0|1,1,0]=3 2296 B12R1.450 CSc1cc(c(cc1F)C=O)F 62a_200000210301_100011998483 [0,1,0,0,0,0|1,1,0]=3 2297 B12R1.450 CSc1cc(c(cc1F)C=O)O 62a_200000210301_200010762562 [0,1,0,0,0,0|0,1,0]=2 2298 B12R1.450 CSc1cc(c(cc1F)C=O)O 62a_200010762562_200000210301 [0,1,0,0,0,0|0,1,0]=2 2299 B12R1.450 CSc1cc(c(cc1O)C=O)O 62a_200000210301_100010888506 [0,1,0,0,0,0|0,1,0]=2 2300 B12R1.450 Cc1cc(c(cc1C#N)C)O[13CH3] 34a_200000077602_200025704644 [0,1,0,0,0,0|2,0,1]=4 2301 B12R1.450 Cc1cc(c(cc1C#N)C)O[13CH3] 7a_200000077602_200025704644 [0,1,0,0,0,0|2,0,1]=4 2302 B12R1.450 Cc1cc(c(cc1C#N)F)O[13CH3] 34a_100010746716_200025704644 [0,1,0,0,0,0|2,0,1]=4 2303 B12R1.450 Cc1cc(c(cc1C#N)F)O[13CH3] 7a_100010746716_200025704644 [0,1,0,0,0,0|2,0,1]=4 2304 B12R1.450 Cc1cc(c(cc1C=O)C)S[13CH3] 62a_100012024176_200025704644 [0,1,0,0,0,0|1,1,0]=3 2305 B12R1.450 Cc1cc(c(cc1C=O)C)S[13CH3] 62a_200025704644_100012024176 [0,1,0,0,0,0|1,1,0]=3 2306 B12R1.450 Cc1cc(c(cc1C=O)F)S[13CH3] 62a_100010186292_200025704644 [0,1,0,0,0,0|1,1,0]=3 2307 B12R1.450 Cc1cc(c(cc1C=O)F)S[13CH3] 62a_200025704644_100010186292 [0,1,0,0,0,0|1,1,0]=3 2308 B12R1.450 Cc1cc(c(cc1S[13CH3])F)C=O 62a_100010186291_200025704644 [0,1,0,0,0,0|1,1,0]=3 2309 B12R1.450 Cc1cc(c(cc1S[13CH3])F)C=O 62a_200025704644_100010186291 [0,1,0,0,0,0|1,1,0]=3 2310 B12R1.450 Cc1cc(c(cc1S[13CH3])O)C=O 62a_200010762526_200025704644 [0,1,0,0,0,0|0,1,0]=2 2311 B12R1.450 Cc1cc(c(cc1S[13CH3])O)C=O 62a_200025704644_200010762526 [0,1,0,0,0,0|0,1,0]=2 2312 B12R1.450 [13CH3]Oc1cc(c(cc1Br)C#N)F 34a_100011015635_200025704644 [0,1,0,0,0,0|2,0,1]=4 2313 B12R1.450 [13CH3]Oc1cc(c(cc1Br)C#N)F 7a_100011015635_200025704644 [0,1,0,0,0,0|2,0,1]=4 2314 B12R1.450 [13CH3]Oc1cc(c(cc1Cl)C#N)Cl 34a_100013052837_200025704644 [0,1,0,0,0,0|2,0,1]=4 2315 B12R1.450 [13CH3]Oc1cc(c(cc1Cl)C#N)Cl 7a_100013052837_200025704644 [0,1,0,0,0,0|2,0,1]=4 2316 B12R1.450 [13CH3]Oc1cc(c(cc1F)C#N)F 34a_100009876755_200025704644 [0,1,0,0,0,0|2,0,1]=4 2317 B12R1.450 [13CH3]Oc1cc(c(cc1F)C#N)F 7a_100009876755_200025704644 [0,1,0,0,0,0|2,0,1]=4 2318 B12R1.450 [13CH3]Sc1cc(c(cc1F)C#N)O 62a_200025704644_200010827376 [0,1,0,0,0,0|1,1,1]=4 2319 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)F 62a_100011998483_200025704644 [0,1,0,0,0,0|1,1,0]=3 2320 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)F 62a_200025704644_100011998483 [0,1,0,0,0,0|1,1,0]=3 2321 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)O 62a_200010762562_200025704644 [0,1,0,0,0,0|0,1,0]=2 2322 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)O 62a_200025704644_200010762562 [0,1,0,0,0,0|0,1,0]=2 2323 B12R1.450 [13CH3]Sc1cc(c(cc1O)C=O)O 62a_200025704644_100010888506 [0,1,0,0,0,0|0,1,0]=2 2324 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)C 1458a_100103168756_200000210301 [0,1,0,0,0,0|2,0,1]=4 2325 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100103168756_200025704644 [0,1,0,0,0,0|2,0,1]=4 2326 B12R1.452 C=C(C)c1ccc(cc1Br)CC 271570a_100000694244_200009997437 [0,1,0,0,0,0|3,0,0]=4 2327 B12R1.452 C=C(C)c1ccc(cc1Br)OC 271570a_100000694244_100012349170 [0,1,0,0,0,0|2,0,0]=3 2328 B12R1.452 C=C(C)c1ccc(cc1C)NC 271570a_100000694244_100102888905 [0,1,0,0,0,0|3,0,0]=4 2329 B12R1.452 C=C(C)c1ccc(cc1C)OC 271570a_100000694244_100000759875 [0,1,0,0,0,0|2,0,0]=3 2330 B12R1.452 C=C(C)c1ccc(cc1F)CC 271570a_100000694244_200010339503 [0,1,0,0,0,0|3,0,0]=4 2331 B12R1.452 C=C(C)c1ccc(cc1F)NC 271570a_100000694244_100012285320 [0,1,0,0,0,0|3,0,0]=4 2332 B12R1.452 C=C(C)c1ccc(cc1F)OC 271570a_100000694244_100000753793 [0,1,0,0,0,0|2,0,0]=3 2333 B12R1.452 C=C(C)c1ccc(cc1F)SC 271570a_100000694244_100009816902 [0,1,0,0,0,0|2,1,0]=4 2334 B12R1.452 C=C(C)c1ccc(cc1N)OC 271570a_100000694244_100000748021 [0,1,0,0,0,0|2,0,0]=3 2335 B12R1.452 C=C(C)c1ccc(cc1O)C#N 271570a_100000694244_100000724445 [0,1,0,0,0,0|3,0,0]=4 2336 B12R1.452 C=C(C)c1ccc(cc1O)C=O 271570a_100000694244_100000041418 [0,1,0,0,0,0|3,0,0]=4 2337 B12R1.452 C=C(C)c1ccc(cc1O)CO 271570a_100000694244_100000049605 [0,1,0,0,0,0|3,0,0]=4 2338 B12R1.452 C=C(C)c1ccc(cc1O)OC 271570a_100000694244_100000719091 [0,1,0,0,0,0|1,0,0]=2 2339 B12R1.452 C=C(C)c1ccc(nc1C)OC 271570a_100000694244_100000766551 [0,1,0,0,0,0|3,0,0]=4 2340 B12R1.452 C=C(C)c1ccc(nc1F)OC 271570a_100000694244_100010067559 [0,1,0,0,0,0|3,0,0]=4 2341 B12R1.452 C=C(C)c1ccc(nc1N)OC 271570a_100000694244_100010187629 [0,1,0,0,0,0|3,0,0]=4 2342 B12R1.452 C=C(C)c1cnc(cc1C)OC 271570a_100000694244_100011934368 [0,1,0,0,0,0|3,0,0]=4 2343 B12R1.452 C=C(C)c1cnc(cc1F)OC 271570a_100000694244_100010136277 [0,1,0,0,0,0|3,0,0]=4 2344 B12R1.452 C=C(C)c1cnc(cc1N)OC 271570a_100000694244_100010254562 [0,1,0,0,0,0|3,0,0]=4 2345 B12R1.452 C=C(C)c1cnc(cc1O)OC 271570a_100000694244_100010738159 [0,1,0,0,0,0|2,0,0]=3 2346 B12R1.452 C=C(C)c1ncc(cc1C)OC 271570a_100000694244_200009851512 [0,1,0,0,0,0|3,0,0]=4 2347 B12R1.452 C=C(C)c1ncc(cc1N)OC 271570a_100000694244_100010074831 [0,1,0,0,0,0|3,0,0]=4 2348 B12R1.452 C=Cc1ccc(c(c1)Br)C(=O)N 271570a_100011290941_200010146565 [0,1,0,0,0,0|2,0,1]=4 2349 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [0,1,0,0,0,0|2,0,1]=4 2350 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)N 271570a_100011290941_100011327924 [0,1,0,0,0,0|2,0,1]=4 2351 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)C 271570a_100011290941_100000690205 [0,1,0,0,0,0|2,0,1]=4 2352 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)N 271570a_100011290941_100000216903 [0,1,0,0,0,0|2,0,1]=4 2353 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)C 271570a_100011290941_100011590516 [0,1,0,0,0,0|2,0,1]=4 2354 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)N 271570a_100011290941_100012349972 [0,1,0,0,0,0|2,0,1]=4 2355 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [0,1,0,0,0,0|1,0,1]=3 2356 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)N 271570a_100011290941_100011550861 [0,1,0,0,0,0|1,0,1]=3 2357 B12R1.452 CC(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200000210301 [0,1,0,0,0,0|3,0,0]=4 2358 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 34a_100012340537_200025704644 [0,1,0,0,0,0|1,0,0]=2 2359 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 7a_100012340537_200025704644 [0,1,0,0,0,0|1,0,0]=2 2360 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [0,1,0,0,0,0|3,0,0]=4 2361 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [0,1,0,0,0,0|1,0,0]=2 2362 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [0,1,0,0,0,0|1,0,0]=2 2363 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [0,1,0,0,0,0|1,1,0]=3 2364 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [0,1,0,0,0,0|1,1,0]=3 2365 B12R1.452 CC(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200000210301 [0,1,0,0,0,0|3,0,0]=4 2366 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [0,1,0,0,0,0|3,0,0]=4 2367 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100011933989_200025704644 [0,1,0,0,0,0|1,0,0]=2 2368 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100011933989_200025704644 [0,1,0,0,0,0|1,0,0]=2 2369 B12R1.452 CC(=O)c1ccc(cc1F)C#N 1458a_100000238375_200000210301 [0,1,0,0,0,0|3,0,0]=4 2370 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [0,1,0,0,0,0|3,0,0]=4 2371 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 34a_100000752407_200025704644 [0,1,0,0,0,0|1,0,0]=2 2372 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 7a_100000752407_200025704644 [0,1,0,0,0,0|1,0,0]=2 2373 B12R1.452 CC(=O)c1ccc(cc1F)S[13CH3] 62a_100000690205_200025704644 [0,1,0,0,0,0|1,1,0]=3 2374 B12R1.452 CC(=O)c1ccc(cc1N)S[13CH3] 62a_100011590516_200025704644 [0,1,0,0,0,0|1,1,0]=3 2375 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_100000696590_200025704644 [0,1,0,0,0,0|2,1,0]=4 2376 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_200025704644_100000696590 [0,1,0,0,0,0|2,1,0]=4 2377 B12R1.452 CCc1ccc(c(c1)F)C(=O)C 1458a_200009867912_200000210301 [0,1,0,0,0,0|2,0,0]=3 2378 B12R1.452 CCc1ccc(c(c1)F)C(=O)[13CH3] 1458a_200009867912_200025704644 [0,1,0,0,0,0|2,0,0]=3 2379 B12R1.452 CNc1cc(c(cn1)C(=O)N)C 27a_100102657272_200134614278 [0,1,0,0,0,0|3,0,0]=4 2380 B12R1.452 CNc1ccc(c(c1)Br)C(=O)N 27a_100102657272_200010146565 [0,1,0,0,0,0|2,0,0]=3 2381 B12R1.452 CNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_200000210301 [0,1,0,0,0,0|3,0,0]=4 2382 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 27a_100102657272_100011327924 [0,1,0,0,0,0|2,0,0]=3 2383 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 34a_200000751758_200000210301 [0,1,0,0,0,0|2,0,0]=3 2384 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 7a_200000751758_200000210301 [0,1,0,0,0,0|2,0,0]=3 2385 B12R1.452 CNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_200000210301 [0,1,0,0,0,0|3,0,0]=4 2386 B12R1.452 CNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_200000210301 [0,1,0,0,0,0|3,0,0]=4 2387 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200000210301 [0,1,0,0,0,0|2,0,0]=3 2388 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200000210301 [0,1,0,0,0,0|2,0,0]=3 2389 B12R1.452 CNc1ccc(c(c1)F)C(=O)C 27a_100102657272_100000690205 [0,1,0,0,0,0|2,0,0]=3 2390 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 27a_100102657272_100000216903 [0,1,0,0,0,0|2,0,0]=3 2391 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 34a_100000749959_200000210301 [0,1,0,0,0,0|2,0,0]=3 2392 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 7a_100000749959_200000210301 [0,1,0,0,0,0|2,0,0]=3 2393 B12R1.452 CNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_200000210301 [0,1,0,0,0,0|3,0,0]=4 2394 B12R1.452 CNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_200000210301 [0,1,0,0,0,0|3,0,0]=4 2395 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 34a_100000223280_200000210301 [0,1,0,0,0,0|1,0,0]=2 2396 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 7a_100000223280_200000210301 [0,1,0,0,0,0|1,0,0]=2 2397 B12R1.452 CNc1ccc(c(n1)N)C(=O)N 27a_100102657272_100009875182 [0,1,0,0,0,0|3,0,0]=4 2398 B12R1.452 CNc1cnc(c(c1)F)C(=O)N 27a_100102657272_200010161073 [0,1,0,0,0,0|3,0,0]=4 2399 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 1458a_100000748873_200000210301 [0,1,0,0,0,0|1,0,0]=2 2400 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 34a_100012340537_200000210301 [0,1,0,0,0,0|1,0,0]=2 2401 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 7a_100012340537_200000210301 [0,1,0,0,0,0|1,0,0]=2 2402 B12R1.452 COc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000748873_200025704644 [0,1,0,0,0,0|1,0,0]=2 2403 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200000210301 [0,1,0,0,0,0|2,0,0]=3 2404 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200000210301 [0,1,0,0,0,0|2,0,0]=3 2405 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [0,1,0,0,0,0|1,0,0]=2 2406 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [0,1,0,0,0,0|1,0,0]=2 2407 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [0,1,0,0,0,0|1,0,0]=2 2408 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [0,1,0,0,0,0|1,0,0]=2 2409 B12R1.452 COc1ccc(c(c1)C)C(C)C 34a_100000210824_200000210301 [0,1,0,0,0,0|2,0,1]=4 2410 B12R1.452 COc1ccc(c(c1)C)C(C)C 7a_100000210824_200000210301 [0,1,0,0,0,0|2,0,1]=4 2411 B12R1.452 COc1ccc(c(c1)C)N(C)C 2230a_103496583619_200000210301 [0,1,0,0,0,0|3,0,0]=4 2412 B12R1.452 COc1ccc(c(c1)C)N(C)C 269982a_103496583619_200000210301 [0,1,0,0,0,0|3,0,0]=4 2413 B12R1.452 COc1ccc(c(c1)C)N(C)C 34a_103496583619_200000210301 [0,1,0,0,0,0|3,0,0]=4 2414 B12R1.452 COc1ccc(c(c1)C)N(C)C 38a_103496583619_200000210301 [0,1,0,0,0,0|3,0,0]=4 2415 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 2230a_103496583619_200025704644 [0,1,0,0,0,0|3,0,0]=4 2416 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 269982a_103496583619_200025704644 [0,1,0,0,0,0|3,0,0]=4 2417 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 34a_103496583619_200025704644 [0,1,0,0,0,0|3,0,0]=4 2418 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 38a_103496583619_200025704644 [0,1,0,0,0,0|3,0,0]=4 2419 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_200000210301 [0,1,0,0,0,0|2,0,0]=3 2420 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_200000210301 [0,1,0,0,0,0|2,0,0]=3 2421 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 1458a_100000753557_200000210301 [0,1,0,0,0,0|1,0,0]=2 2422 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_200000210301 [0,1,0,0,0,0|1,0,0]=2 2423 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_200000210301 [0,1,0,0,0,0|1,0,0]=2 2424 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200000210301 [0,1,0,0,0,0|1,0,0]=2 2425 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200000210301 [0,1,0,0,0,0|1,0,0]=2 2426 B12R1.452 COc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000753557_200025704644 [0,1,0,0,0,0|1,0,0]=2 2427 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200000210301 [0,1,0,0,0,0|2,0,0]=3 2428 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200000210301 [0,1,0,0,0,0|2,0,0]=3 2429 B12R1.452 COc1ccc(c(c1)F)C(=O)C 1458a_100000198494_200000210301 [0,1,0,0,0,0|1,0,0]=2 2430 B12R1.452 COc1ccc(c(c1)F)C(=O)C 34a_100000752407_200000210301 [0,1,0,0,0,0|1,0,0]=2 2431 B12R1.452 COc1ccc(c(c1)F)C(=O)C 7a_100000752407_200000210301 [0,1,0,0,0,0|1,0,0]=2 2432 B12R1.452 COc1ccc(c(c1)F)C(=O)N 34a_200012186767_200000210301 [0,1,0,0,0,0|1,0,0]=2 2433 B12R1.452 COc1ccc(c(c1)F)C(=O)N 7a_200012186767_200000210301 [0,1,0,0,0,0|1,0,0]=2 2434 B12R1.452 COc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000198494_200025704644 [0,1,0,0,0,0|1,0,0]=2 2435 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200000210301 [0,1,0,0,0,0|2,0,0]=3 2436 B12R1.452 COc1ccc(c(c1)I)C(=O)C 1458a_100000688016_200000210301 [0,1,0,0,0,0|1,0,0]=2 2437 B12R1.452 COc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100000688016_200025704644 [0,1,0,0,0,0|1,0,0]=2 2438 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200000210301 [0,1,0,0,0,0|2,0,0]=3 2439 B12R1.452 COc1ccc(c(c1)N)C(=O)N 34a_100012186684_200000210301 [0,1,0,0,0,0|1,0,0]=2 2440 B12R1.452 COc1ccc(c(c1)N)C(=O)N 7a_100012186684_200000210301 [0,1,0,0,0,0|1,0,0]=2 2441 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200000210301 [0,1,0,0,0,0|2,0,0]=3 2442 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [0,1,0,0,0,0|0,0,0]=1 2443 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [0,1,0,0,0,0|0,0,0]=1 2444 B12R1.452 COc1ccc(c(c1)O)C(=O)N 271570a_203496583355_200009815664 [0,1,0,0,0,0|0,0,0]=1 2445 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [0,1,0,0,0,0|0,0,0]=1 2446 B12R1.452 COc1ccc(c(c1)O)C(C)O 271570a_203496583355_100000697252 [0,1,0,0,0,0|0,0,2]=3 2447 B12R1.452 COc1ccc(c(c1)O)C(F)F 271570a_203496583355_100010189948 [0,1,0,0,0,0|1,0,1]=3 2448 B12R1.452 CSc1cc(c(cn1)C(=O)N)C 62a_200000210301_200134614278 [0,1,0,0,0,0|2,1,0]=4 2449 B12R1.452 CSc1cc(c(cn1)C(=O)N)C 62a_200134614278_200000210301 [0,1,0,0,0,0|2,1,0]=4 2450 B12R1.452 CSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200000210301 [0,1,0,0,0,0|1,1,0]=3 2451 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [0,1,0,0,0,0|1,1,0]=3 2452 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [0,1,0,0,0,0|1,1,0]=3 2453 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [0,1,0,0,0,0|1,1,0]=3 2454 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_100011327924_200000210301 [0,1,0,0,0,0|1,1,0]=3 2455 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_200000210301_100011327924 [0,1,0,0,0,0|1,1,0]=3 2456 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [0,1,0,0,0,0|1,1,0]=3 2457 B12R1.452 CSc1ccc(c(c1)F)C(=O)C 62a_100000690205_200000210301 [0,1,0,0,0,0|1,1,0]=3 2458 B12R1.452 CSc1ccc(c(c1)F)C(=O)N 62a_100000216903_200000210301 [0,1,0,0,0,0|1,1,0]=3 2459 B12R1.452 CSc1ccc(c(c1)N)C(=O)C 62a_100011590516_200000210301 [0,1,0,0,0,0|1,1,0]=3 2460 B12R1.452 CSc1ccc(c(c1)N)C(=O)N 62a_100012349972_200000210301 [0,1,0,0,0,0|1,1,0]=3 2461 B12R1.452 CSc1ccc(c(c1)O)B(O)O 62a_200000210301_100010158982 [0,1,0,0,0,0|1,1,1]=4 2462 B12R1.452 CSc1ccc(c(c1)O)C(=O)N 62a_100011550861_200000210301 [0,1,0,0,0,0|0,1,0]=2 2463 B12R1.452 CSc1ccc(c(n1)N)C(=O)N 62a_100009875182_200000210301 [0,1,0,0,0,0|2,1,0]=4 2464 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_100000696590_200000210301 [0,1,0,0,0,0|2,1,0]=4 2465 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_200000210301_100000696590 [0,1,0,0,0,0|2,1,0]=4 2466 B12R1.452 CSc1cnc(c(c1)F)C(=O)N 62a_200000210301_200010161073 [0,1,0,0,0,0|2,1,0]=4 2467 B12R1.452 CSc1cnc(c(c1)F)C(=O)N 62a_200010161073_200000210301 [0,1,0,0,0,0|2,1,0]=4 2468 B12R1.452 CSc1cnc(c(c1)N)C(=O)N 62a_100010235749_200000210301 [0,1,0,0,0,0|2,1,0]=4 2469 B12R1.452 CSc1cnc(c(c1)N)C(=O)N 62a_200000210301_100010235749 [0,1,0,0,0,0|2,1,0]=4 2470 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 34a_200000751758_200025704644 [0,1,0,0,0,0|2,0,0]=3 2471 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 7a_200000751758_200025704644 [0,1,0,0,0,0|2,0,0]=3 2472 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_100011327924_200025704644 [0,1,0,0,0,0|1,1,0]=3 2473 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_200025704644_100011327924 [0,1,0,0,0,0|1,1,0]=3 2474 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [0,1,0,0,0,0|3,0,0]=4 2475 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 34a_100000210824_200025704644 [0,1,0,0,0,0|2,0,1]=4 2476 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 7a_100000210824_200025704644 [0,1,0,0,0,0|2,0,1]=4 2477 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])N[13CH3] 34a_100000745639_200025704644 [0,1,0,0,0,0|3,0,0]=4 2478 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])N[13CH3] 7a_100000745639_200025704644 [0,1,0,0,0,0|3,0,0]=4 2479 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 34a_100000195451_200025704644 [0,1,0,0,0,0|2,0,0]=3 2480 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 7a_100000195451_200025704644 [0,1,0,0,0,0|2,0,0]=3 2481 B12R1.452 Cc1cc(ncc1C(=O)N)S[13CH3] 62a_200025704644_200134614278 [0,1,0,0,0,0|2,1,0]=4 2482 B12R1.452 Cc1cc(ncc1C(=O)N)S[13CH3] 62a_200134614278_200025704644 [0,1,0,0,0,0|2,1,0]=4 2483 B12R1.452 [13CH3]C(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200025704644 [0,1,0,0,0,0|3,0,0]=4 2484 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200025704644 [0,1,0,0,0,0|3,0,0]=4 2485 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [0,1,0,0,0,0|3,0,0]=4 2486 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)C#N 1458a_100000238375_200025704644 [0,1,0,0,0,0|3,0,0]=4 2487 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [0,1,0,0,0,0|3,0,0]=4 2488 B12R1.452 [13CH3]Nc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_200025704644 [0,1,0,0,0,0|3,0,0]=4 2489 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200025704644 [0,1,0,0,0,0|2,0,0]=3 2490 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200025704644 [0,1,0,0,0,0|2,0,0]=3 2491 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 34a_100000749959_200025704644 [0,1,0,0,0,0|2,0,0]=3 2492 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 7a_100000749959_200025704644 [0,1,0,0,0,0|2,0,0]=3 2493 B12R1.452 [13CH3]Nc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_200025704644 [0,1,0,0,0,0|3,0,0]=4 2494 B12R1.452 [13CH3]Nc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_200025704644 [0,1,0,0,0,0|3,0,0]=4 2495 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 34a_100000223280_200025704644 [0,1,0,0,0,0|1,0,0]=2 2496 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 7a_100000223280_200025704644 [0,1,0,0,0,0|1,0,0]=2 2497 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200025704644 [0,1,0,0,0,0|2,0,0]=3 2498 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200025704644 [0,1,0,0,0,0|2,0,0]=3 2499 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200025704644 [0,1,0,0,0,0|1,0,0]=2 2500 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200025704644 [0,1,0,0,0,0|1,0,0]=2 2501 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200025704644 [0,1,0,0,0,0|2,0,0]=3 2502 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200025704644 [0,1,0,0,0,0|2,0,0]=3 2503 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 34a_200012186767_200025704644 [0,1,0,0,0,0|1,0,0]=2 2504 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 7a_200012186767_200025704644 [0,1,0,0,0,0|1,0,0]=2 2505 B12R1.452 [13CH3]Oc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200025704644 [0,1,0,0,0,0|2,0,0]=3 2506 B12R1.452 [13CH3]Oc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200025704644 [0,1,0,0,0,0|2,0,0]=3 2507 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 34a_100012186684_200025704644 [0,1,0,0,0,0|1,0,0]=2 2508 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 7a_100012186684_200025704644 [0,1,0,0,0,0|1,0,0]=2 2509 B12R1.452 [13CH3]Oc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200025704644 [0,1,0,0,0,0|2,0,0]=3 2510 B12R1.452 [13CH3]Sc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200025704644 [0,1,0,0,0,0|1,1,0]=3 2511 B12R1.452 [13CH3]Sc1ccc(c(c1)F)C(=O)N 62a_100000216903_200025704644 [0,1,0,0,0,0|1,1,0]=3 2512 B12R1.452 [13CH3]Sc1ccc(c(c1)N)C(=O)N 62a_100012349972_200025704644 [0,1,0,0,0,0|1,1,0]=3 2513 B12R1.452 [13CH3]Sc1ccc(c(c1)O)B(O)O 62a_200025704644_100010158982 [0,1,0,0,0,0|1,1,1]=4 2514 B12R1.452 [13CH3]Sc1ccc(c(c1)O)C(=O)N 62a_100011550861_200025704644 [0,1,0,0,0,0|0,1,0]=2 2515 B12R1.452 [13CH3]Sc1ccc(c(n1)N)C(=O)N 62a_100009875182_200025704644 [0,1,0,0,0,0|2,1,0]=4 2516 B12R1.452 [13CH3]Sc1cnc(c(c1)F)C(=O)N 62a_200010161073_200025704644 [0,1,0,0,0,0|2,1,0]=4 2517 B12R1.452 [13CH3]Sc1cnc(c(c1)F)C(=O)N 62a_200025704644_200010161073 [0,1,0,0,0,0|2,1,0]=4 2518 B12R1.452 [13CH3]Sc1cnc(c(c1)N)C(=O)N 62a_100010235749_200025704644 [0,1,0,0,0,0|2,1,0]=4 2519 B12R1.452 [13CH3]Sc1cnc(c(c1)N)C(=O)N 62a_200025704644_100010235749 [0,1,0,0,0,0|2,1,0]=4 2520 B12R1.653 C=Cc1ccc(c(c1C)C)OC 271570a_100011290941_100000049725 [0,1,0,0,0,0|2,0,0]=3 2521 B12R1.653 C=Cc1ccc(c(c1C)F)C=O 271570a_100011290941_100015546853 [0,1,0,0,0,0|2,0,1]=4 2522 B12R1.653 C=Cc1ccc(c(c1C)F)SC 271570a_100011290941_202125771832 [0,1,0,0,0,0|2,1,0]=4 2523 B12R1.653 C=Cc1ccc(c(c1F)F)C=O 271570a_100011290941_100010209662 [0,1,0,0,0,0|2,0,1]=4 2524 B12R1.653 C=Cc1ccc(c(c1F)F)OC 271570a_100011290941_100009816879 [0,1,0,0,0,0|2,0,0]=3 2525 B12R1.653 C=Cc1ccc(c(c1F)O)C=O 271570a_100011290941_100010762540 [0,1,0,0,0,0|1,0,1]=3 2526 B12R1.653 C=Cc1cnc(c(c1C)N)OC 271570a_100011290941_100010380692 [0,1,0,0,0,0|3,0,0]=4 2527 B12R1.653 CNc1ccc(c(c1C)C)OC 2230a_100025755787_200000210301 [0,1,0,0,0,0|3,0,0]=4 2528 B12R1.653 CNc1ccc(c(c1C)C)OC 34a_100025755787_200000210301 [0,1,0,0,0,0|3,0,0]=4 2529 B12R1.653 CNc1ccc(c(c1C)C)OC 7a_100025755787_200000210301 [0,1,0,0,0,0|3,0,0]=4 2530 B12R1.653 CNc1ccc(c(c1F)F)OC 2230a_100000062114_200000210301 [0,1,0,0,0,0|3,0,0]=4 2531 B12R1.653 CNc1ccc(c(c1F)F)OC 34a_100000062114_200000210301 [0,1,0,0,0,0|3,0,0]=4 2532 B12R1.653 COc1ccc(c(c1C)C)N[13CH3] 2230a_100025755787_200025704644 [0,1,0,0,0,0|3,0,0]=4 2533 B12R1.653 COc1ccc(c(c1C)C)N[13CH3] 34a_100025755787_200025704644 [0,1,0,0,0,0|3,0,0]=4 2534 B12R1.653 COc1ccc(c(c1C)C)N[13CH3] 7a_100025755787_200025704644 [0,1,0,0,0,0|3,0,0]=4 2535 B12R1.653 COc1ccc(c(c1C)C)SC 62a_100000049725_200000210301 [0,1,0,0,0,0|3,0,0]=4 2536 B12R1.653 COc1ccc(c(c1C)C)SC 62a_200000210301_100000049725 [0,1,0,0,0,0|3,0,0]=4 2537 B12R1.653 COc1ccc(c(c1C)C)S[13CH3] 62a_100000049725_200025704644 [0,1,0,0,0,0|3,0,0]=4 2538 B12R1.653 COc1ccc(c(c1C)C)S[13CH3] 62a_200025704644_100000049725 [0,1,0,0,0,0|3,0,0]=4 2539 B12R1.653 COc1ccc(c(c1F)F)C#N 34a_100000036799_200000210301 [0,1,0,0,0,0|2,0,1]=4 2540 B12R1.653 COc1ccc(c(c1F)F)C#N 7a_100000036799_200000210301 [0,1,0,0,0,0|2,0,1]=4 2541 B12R1.653 COc1ccc(c(c1F)F)N[13CH3] 2230a_100000062114_200025704644 [0,1,0,0,0,0|3,0,0]=4 2542 B12R1.653 COc1ccc(c(c1F)F)N[13CH3] 34a_100000062114_200025704644 [0,1,0,0,0,0|3,0,0]=4 2543 B12R1.653 COc1ccc(c(c1F)F)OC 34a_100000034963_200000210301 [0,1,0,0,0,0|3,0,0]=4 2544 B12R1.653 COc1ccc(c(c1F)F)OC 7a_100000034963_200000210301 [0,1,0,0,0,0|3,0,0]=4 2545 B12R1.653 COc1ccc(c(c1F)F)O[13CH3] 34a_100000034963_200025704644 [0,1,0,0,0,0|3,0,0]=4 2546 B12R1.653 COc1ccc(c(c1F)F)O[13CH3] 7a_100000034963_200025704644 [0,1,0,0,0,0|3,0,0]=4 2547 B12R1.653 COc1ccc(c(c1F)F)SC 62a_100009816879_200000210301 [0,1,0,0,0,0|3,0,0]=4 2548 B12R1.653 COc1ccc(c(c1F)F)SC 62a_200000210301_100009816879 [0,1,0,0,0,0|3,0,0]=4 2549 B12R1.653 COc1ccc(c(c1F)F)S[13CH3] 62a_100009816879_200025704644 [0,1,0,0,0,0|3,0,0]=4 2550 B12R1.653 COc1ccc(c(c1F)F)S[13CH3] 62a_200025704644_100009816879 [0,1,0,0,0,0|3,0,0]=4 2551 B12R1.653 COc1ccc(c(c1O)F)OC 271570a_203496583355_200016180952 [0,1,0,0,0,0|2,0,0]=3 2552 B12R1.653 CSc1ccc(c(c1C)F)C=O 62a_100015546853_200000210301 [0,1,0,0,0,0|1,1,0]=3 2553 B12R1.653 CSc1ccc(c(c1C)F)C=O 62a_200000210301_100015546853 [0,1,0,0,0,0|1,1,0]=3 2554 B12R1.653 CSc1ccc(c(c1F)F)C=O 62a_100010209662_200000210301 [0,1,0,0,0,0|1,1,0]=3 2555 B12R1.653 CSc1ccc(c(c1F)F)C=O 62a_200000210301_100010209662 [0,1,0,0,0,0|1,1,0]=3 2556 B12R1.653 CSc1ccc(c(c1F)O)C=O 62a_100010762540_200000210301 [0,1,0,0,0,0|0,1,0]=2 2557 B12R1.653 CSc1ccc(c(c1F)O)C=O 62a_200000210301_100010762540 [0,1,0,0,0,0|0,1,0]=2 2558 B12R1.653 Cc1c(ccc(c1F)C=O)S[13CH3] 62a_100015546853_200025704644 [0,1,0,0,0,0|1,1,0]=3 2559 B12R1.653 Cc1c(ccc(c1F)C=O)S[13CH3] 62a_200025704644_100015546853 [0,1,0,0,0,0|1,1,0]=3 2560 B12R1.653 [13CH3]Oc1ccc(c(c1F)F)C#N 34a_100000036799_200025704644 [0,1,0,0,0,0|2,0,1]=4 2561 B12R1.653 [13CH3]Oc1ccc(c(c1F)F)C#N 7a_100000036799_200025704644 [0,1,0,0,0,0|2,0,1]=4 2562 B12R1.653 [13CH3]Sc1ccc(c(c1F)F)C=O 62a_100010209662_200025704644 [0,1,0,0,0,0|1,1,0]=3 2563 B12R1.653 [13CH3]Sc1ccc(c(c1F)F)C=O 62a_200025704644_100010209662 [0,1,0,0,0,0|1,1,0]=3 2564 B12R1.653 [13CH3]Sc1ccc(c(c1F)O)C=O 62a_100010762540_200025704644 [0,1,0,0,0,0|0,1,0]=2 2565 B12R1.653 [13CH3]Sc1ccc(c(c1F)O)C=O 62a_200025704644_100010762540 [0,1,0,0,0,0|0,1,0]=2 2566 B12R2.44 C=Cc1ccc2ccoc2c1 271570a_100011290941_100000759542 [0,0,0,1,0,0|2,0,1]=4 2567 B12R2.44 C=Cc1ccc2cnoc2c1 271570a_100011290941_100009817722 [0,0,0,1,0,0|2,0,1]=4 2568 B12R2.44 CNc1ccc2c(c1)OCO2 2230a_100000209953_200000210301 [0,0,0,1,0,0|3,0,0]=4 2569 B12R2.44 CNc1ccc2c(c1)OCO2 34a_100000209953_200000210301 [0,0,0,1,0,0|3,0,0]=4 2570 B12R2.44 CNc1ccc2ccoc2c1 34a_100000102395_200000210301 [0,0,0,1,0,0|2,0,0]=3 2571 B12R2.44 CNc1ccc2cnoc2c1 34a_100000084182_200000210301 [0,0,0,1,0,0|2,0,0]=3 2572 B12R2.44 CNc1ccc2ncoc2c1 34a_100011248239_200000210301 [0,0,0,1,0,0|3,0,0]=4 2573 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [0,0,0,1,0,0|3,0,0]=4 2574 B12R2.44 COc1ccc2c(c1)CCC2 34a_100000209987_200000210301 [0,0,0,1,0,0|2,0,1]=4 2575 B12R2.44 COc1ccc2c(c1)CCC2 7a_100000209987_200000210301 [0,0,0,1,0,0|2,0,1]=4 2576 B12R2.44 COc1ccc2c(c1)CCN2 34a_100020636429_200000210301 [0,0,0,1,0,0|3,0,0]=4 2577 B12R2.44 COc1ccc2c(c1)CNC2 34a_100015195982_200000210301 [0,0,0,1,0,0|2,0,1]=4 2578 B12R2.44 COc1ccc2c(c1)NCC2 34a_100020636427_200000210301 [0,0,0,1,0,0|2,0,1]=4 2579 B12R2.44 COc1ccc2c(c1)OCO2 34a_100000210298_200000210301 [0,0,0,1,0,0|2,0,0]=3 2580 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [0,0,0,1,0,0|2,0,0]=3 2581 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [0,0,0,1,0,0|1,0,0]=2 2582 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [0,0,0,1,0,0|1,0,0]=2 2583 B12R2.44 COc1ccc2cnoc2c1 34a_100000098417_200000210301 [0,0,0,1,0,0|1,0,0]=2 2584 B12R2.44 COc1ccc2cnoc2c1 7a_100000098417_200000210301 [0,0,0,1,0,0|1,0,0]=2 2585 B12R2.44 COc1ccc2ncsc2c1 34a_100011995850_200000210301 [0,0,0,1,0,0|2,1,0]=4 2586 B12R2.44 COc1ccc2ncsc2c1 7a_100011995850_200000210301 [0,0,0,1,0,0|2,1,0]=4 2587 B12R2.44 COc1ccc2nonc2c1 34a_100000036933_200000210301 [0,0,0,1,0,0|2,0,1]=4 2588 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [0,0,0,1,0,0|3,0,0]=4 2589 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [0,0,0,1,0,0|3,0,0]=4 2590 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [0,0,0,1,0,0|3,0,0]=4 2591 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [0,0,0,1,0,0|3,0,0]=4 2592 B12R2.44 COc1ccc2scnc2c1 34a_200009850626_200000210301 [0,0,0,1,0,0|3,0,0]=4 2593 B12R2.44 COc1ccc2scnc2c1 7a_200009850626_200000210301 [0,0,0,1,0,0|3,0,0]=4 2594 B12R2.44 COc1ccn2ccnc2c1 34a_100009863278_200000210301 [0,0,0,1,0,0|3,0,0]=4 2595 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200000210301_200009818231 [0,0,0,1,0,0|2,1,0]=4 2596 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200009818231_200000210301 [0,0,0,1,0,0|2,1,0]=4 2597 B12R2.44 CSc1ccc2c(c1)OCC2 62a_100009818566_200000210301 [0,0,0,1,0,0|1,1,1]=4 2598 B12R2.44 CSc1ccc2c(c1)OCC2 62a_200000210301_100009818566 [0,0,0,1,0,0|1,1,1]=4 2599 B12R2.44 CSc1ccc2cc[nH]c2c1 62a_200000210301_100000743809 [0,0,0,1,0,0|2,1,0]=4 2600 B12R2.44 CSc1ccc2ccoc2c1 62a_200000210301_100000759542 [0,0,0,1,0,0|1,1,0]=3 2601 B12R2.44 CSc1ccc2ccsc2c1 62a_200000210301_100009888917 [0,0,0,1,0,0|1,2,0]=4 2602 B12R2.44 CSc1ccc2cn[nH]c2c1 62a_200000210301_100000049514 [0,0,0,1,0,0|2,1,0]=4 2603 B12R2.44 CSc1ccc2cnoc2c1 62a_200000210301_100009817722 [0,0,0,1,0,0|1,1,0]=3 2604 B12R2.44 CSc1ccc2cscc2c1 62a_200000210301_200010760811 [0,0,0,1,0,0|1,2,0]=4 2605 B12R2.44 CSc1ccc2csnc2c1 62a_200000210301_100010170880 [0,0,0,1,0,0|1,2,0]=4 2606 B12R2.44 CSc1ccc2ncoc2c1 62a_200000210301_100009817590 [0,0,0,1,0,0|2,1,0]=4 2607 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 2230a_100000209953_200025704644 [0,0,0,1,0,0|3,0,0]=4 2608 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 34a_100000209953_200025704644 [0,0,0,1,0,0|3,0,0]=4 2609 B12R2.44 [13CH3]Nc1ccc2ccoc2c1 34a_100000102395_200025704644 [0,0,0,1,0,0|2,0,0]=3 2610 B12R2.44 [13CH3]Nc1ccc2cnoc2c1 34a_100000084182_200025704644 [0,0,0,1,0,0|2,0,0]=3 2611 B12R2.44 [13CH3]Nc1ccc2ncoc2c1 34a_100011248239_200025704644 [0,0,0,1,0,0|3,0,0]=4 2612 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [0,0,0,1,0,0|3,0,0]=4 2613 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 34a_100000209987_200025704644 [0,0,0,1,0,0|2,0,1]=4 2614 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 7a_100000209987_200025704644 [0,0,0,1,0,0|2,0,1]=4 2615 B12R2.44 [13CH3]Oc1ccc2c(c1)CCN2 34a_100020636429_200025704644 [0,0,0,1,0,0|3,0,0]=4 2616 B12R2.44 [13CH3]Oc1ccc2c(c1)CNC2 34a_100015195982_200025704644 [0,0,0,1,0,0|2,0,1]=4 2617 B12R2.44 [13CH3]Oc1ccc2c(c1)NCC2 34a_100020636427_200025704644 [0,0,0,1,0,0|2,0,1]=4 2618 B12R2.44 [13CH3]Oc1ccc2c(c1)OCO2 34a_100000210298_200025704644 [0,0,0,1,0,0|2,0,0]=3 2619 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [0,0,0,1,0,0|2,0,0]=3 2620 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [0,0,0,1,0,0|1,0,0]=2 2621 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [0,0,0,1,0,0|1,0,0]=2 2622 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 34a_100000098417_200025704644 [0,0,0,1,0,0|1,0,0]=2 2623 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 7a_100000098417_200025704644 [0,0,0,1,0,0|1,0,0]=2 2624 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 34a_100011995850_200025704644 [0,0,0,1,0,0|2,1,0]=4 2625 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 7a_100011995850_200025704644 [0,0,0,1,0,0|2,1,0]=4 2626 B12R2.44 [13CH3]Oc1ccc2nonc2c1 34a_100000036933_200025704644 [0,0,0,1,0,0|2,0,1]=4 2627 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [0,0,0,1,0,0|3,0,0]=4 2628 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [0,0,0,1,0,0|3,0,0]=4 2629 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [0,0,0,1,0,0|3,0,0]=4 2630 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [0,0,0,1,0,0|3,0,0]=4 2631 B12R2.44 [13CH3]Oc1ccc2scnc2c1 34a_200009850626_200025704644 [0,0,0,1,0,0|3,0,0]=4 2632 B12R2.44 [13CH3]Oc1ccc2scnc2c1 7a_200009850626_200025704644 [0,0,0,1,0,0|3,0,0]=4 2633 B12R2.44 [13CH3]Oc1ccn2ccnc2c1 34a_100009863278_200025704644 [0,0,0,1,0,0|3,0,0]=4 2634 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200009818231_200025704644 [0,0,0,1,0,0|2,1,0]=4 2635 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200025704644_200009818231 [0,0,0,1,0,0|2,1,0]=4 2636 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_100009818566_200025704644 [0,0,0,1,0,0|1,1,1]=4 2637 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_200025704644_100009818566 [0,0,0,1,0,0|1,1,1]=4 2638 B12R2.44 [13CH3]Sc1ccc2cc[nH]c2c1 62a_200025704644_100000743809 [0,0,0,1,0,0|2,1,0]=4 2639 B12R2.44 [13CH3]Sc1ccc2ccoc2c1 62a_200025704644_100000759542 [0,0,0,1,0,0|1,1,0]=3 2640 B12R2.44 [13CH3]Sc1ccc2ccsc2c1 62a_200025704644_100009888917 [0,0,0,1,0,0|1,2,0]=4 2641 B12R2.44 [13CH3]Sc1ccc2cn[nH]c2c1 62a_200025704644_100000049514 [0,0,0,1,0,0|2,1,0]=4 2642 B12R2.44 [13CH3]Sc1ccc2cnoc2c1 62a_200025704644_100009817722 [0,0,0,1,0,0|1,1,0]=3 2643 B12R2.44 [13CH3]Sc1ccc2cscc2c1 62a_200025704644_200010760811 [0,0,0,1,0,0|1,2,0]=4 2644 B12R2.44 [13CH3]Sc1ccc2csnc2c1 62a_200025704644_100010170880 [0,0,0,1,0,0|1,2,0]=4 2645 B12R2.44 [13CH3]Sc1ccc2ncoc2c1 62a_200025704644_100009817590 [0,0,0,1,0,0|2,1,0]=4 2646 B10R1.35 CCn1cc(c(n1)C=O)O 271570a_203496583355_100000763637 [0,0,0,0,1,0|3,0,0]=4 2647 B10R1.35 CSc1cc(c(s1)C=O)C 62a_100010221198_200000210301 [0,0,0,0,1,0|2,1,0]=4 2648 B10R1.35 CSc1cc(c(s1)C=O)C 62a_200000210301_100010221198 [0,0,0,0,1,0|2,1,0]=4 2649 B10R1.35 Cc1cc(sc1C=O)S[13CH3] 62a_100010221198_200025704644 [0,0,0,0,1,0|2,1,0]=4 2650 B10R1.35 Cc1cc(sc1C=O)S[13CH3] 62a_200025704644_100010221198 [0,0,0,0,1,0|2,1,0]=4 2651 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [2,0,0,0,0,0|2,0,0]=4 2652 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,0,0,0,0,0|1,0,0]=3 2653 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [2,0,0,0,0,0|2,0,0]=4 2654 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [2,0,0,0,0,0|2,0,0]=4 2655 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [2,0,0,0,0,0|2,0,0]=4 2656 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|1,0,0]=3 2657 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [2,0,0,0,0,0|2,0,0]=4 2658 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [2,0,0,0,0,0|2,0,0]=4 2659 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [2,0,0,0,0,0|2,0,0]=4 2660 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|1,0,1]=4 2661 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 2662 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 2663 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [2,0,0,0,0,0|1,0,1]=4 2664 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 2665 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 2666 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [2,0,0,0,0,0|2,0,0]=4 2667 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [2,0,0,0,0,0|2,0,0]=4 2668 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|1,0,1]=4 2669 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,1]=4 2670 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [2,0,0,0,0,0|1,0,0]=3 2671 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [2,0,0,0,0,0|1,0,0]=3 2672 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [2,0,0,0,0,0|1,0,0]=3 2673 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [2,0,0,0,0,0|0,0,1]=3 2674 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [2,0,0,0,0,0|0,0,1]=3 2675 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [2,0,0,0,0,0|1,0,0]=3 2676 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [2,0,0,0,0,0|1,0,0]=3 2677 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [2,0,0,0,0,0|1,0,0]=3 2678 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [2,0,0,0,0,0|1,0,0]=3 2679 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [2,0,0,0,0,0|1,0,0]=3 2680 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,0]=3 2681 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|0,0,1]=3 2682 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [2,0,0,0,0,0|1,0,1]=4 2683 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [2,0,0,0,0,0|2,0,0]=4 2684 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [2,0,0,0,0,0|2,0,0]=4 2685 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [2,0,0,0,0,0|2,0,0]=4 2686 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [2,0,0,0,0,0|1,0,1]=4 2687 B9R1.1 COc1ccc(nc1)Br 34a_100000685995_200000210301 [2,0,0,0,0,0|2,0,0]=4 2688 B9R1.1 COc1ccc(nc1)Br 7a_100000685995_200000210301 [2,0,0,0,0,0|2,0,0]=4 2689 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [2,0,0,0,0,0|1,0,1]=4 2690 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [2,0,0,0,0,0|1,0,1]=4 2691 B9R1.1 COc1ccc(nc1)Cl 34a_100000744096_200000210301 [2,0,0,0,0,0|2,0,0]=4 2692 B9R1.1 COc1ccc(nc1)Cl 7a_100000744096_200000210301 [2,0,0,0,0,0|2,0,0]=4 2693 B9R1.1 COc1ccc(nc1)F 34a_100000688820_200000210301 [2,0,0,0,0,0|2,0,0]=4 2694 B9R1.1 COc1ccc(nc1)F 7a_100000688820_200000210301 [2,0,0,0,0,0|2,0,0]=4 2695 B9R1.1 COc1ccc(nc1)I 34a_100000687607_200000210301 [2,0,0,0,0,0|2,0,0]=4 2696 B9R1.1 COc1ccc(nc1)I 7a_100000687607_200000210301 [2,0,0,0,0,0|2,0,0]=4 2697 B9R1.1 COc1ccc(nc1)N 34a_100015188713_200000210301 [2,0,0,0,0,0|2,0,0]=4 2698 B9R1.1 COc1ccc(nc1)N 7a_100015188713_200000210301 [2,0,0,0,0,0|2,0,0]=4 2699 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [2,0,0,0,0,0|1,0,1]=4 2700 B9R1.1 CSc1ccc(=O)[nH]c1 62a_100000212171_200000210301 [2,0,0,0,0,0|1,1,0]=4 2701 B9R1.1 CSc1ccc(=O)[nH]c1 62a_200000210301_100000212171 [2,0,0,0,0,0|1,1,0]=4 2702 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [2,0,0,0,0,0|1,1,0]=4 2703 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [2,0,0,0,0,0|1,1,0]=4 2704 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [2,0,0,0,0,0|0,1,1]=4 2705 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [2,0,0,0,0,0|0,1,1]=4 2706 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [2,0,0,0,0,0|1,1,0]=4 2707 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [2,0,0,0,0,0|1,1,0]=4 2708 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [2,0,0,0,0,0|1,1,0]=4 2709 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [2,0,0,0,0,0|1,1,0]=4 2710 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [2,0,0,0,0,0|1,1,0]=4 2711 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [2,0,0,0,0,0|1,1,0]=4 2712 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|0,1,1]=4 2713 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|0,1,1]=4 2714 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [2,0,0,0,0,0|1,0,1]=4 2715 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [2,0,0,0,0,0|0,0,1]=3 2716 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [2,0,0,0,0,0|0,0,1]=3 2717 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [2,0,0,0,0,0|0,1,1]=4 2718 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [2,0,0,0,0,0|0,1,1]=4 2719 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [2,0,0,0,0,0|1,0,1]=4 2720 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [2,0,0,0,0,0|1,0,1]=4 2721 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [2,0,0,0,0,0|1,0,1]=4 2722 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|1,0,1]=4 2723 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|1,0,1]=4 2724 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|2,0,0]=4 2725 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|0,0,0]=2 2726 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [2,0,0,0,0,0|1,0,0]=3 2727 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [2,0,0,0,0,0|1,0,0]=3 2728 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [2,0,0,0,0,0|2,0,0]=4 2729 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [2,0,0,0,0,0|2,0,0]=4 2730 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [2,0,0,0,0,0|2,0,0]=4 2731 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|0,0,2]=4 2732 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|1,0,1]=4 2733 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 2734 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 2735 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 2736 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 2737 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [2,0,0,0,0,0|2,0,0]=4 2738 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [2,0,0,0,0,0|2,0,0]=4 2739 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,1]=4 2740 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [2,0,0,0,0,0|1,0,0]=3 2741 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [2,0,0,0,0,0|1,0,0]=3 2742 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [2,0,0,0,0,0|1,0,0]=3 2743 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [2,0,0,0,0,0|1,0,0]=3 2744 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [2,0,0,0,0,0|1,0,0]=3 2745 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [2,0,0,0,0,0|1,0,0]=3 2746 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [2,0,0,0,0,0|1,0,0]=3 2747 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [2,0,0,0,0,0|1,0,0]=3 2748 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,0]=3 2749 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [2,0,0,0,0,0|2,0,0]=4 2750 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [2,0,0,0,0,0|2,0,0]=4 2751 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [2,0,0,0,0,0|2,0,0]=4 2752 B9R1.1 [13CH3]Oc1ccc(nc1)Br 34a_100000685995_200025704644 [2,0,0,0,0,0|2,0,0]=4 2753 B9R1.1 [13CH3]Oc1ccc(nc1)Br 7a_100000685995_200025704644 [2,0,0,0,0,0|2,0,0]=4 2754 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 34a_100000744096_200025704644 [2,0,0,0,0,0|2,0,0]=4 2755 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 7a_100000744096_200025704644 [2,0,0,0,0,0|2,0,0]=4 2756 B9R1.1 [13CH3]Oc1ccc(nc1)F 34a_100000688820_200025704644 [2,0,0,0,0,0|2,0,0]=4 2757 B9R1.1 [13CH3]Oc1ccc(nc1)F 7a_100000688820_200025704644 [2,0,0,0,0,0|2,0,0]=4 2758 B9R1.1 [13CH3]Oc1ccc(nc1)I 34a_100000687607_200025704644 [2,0,0,0,0,0|2,0,0]=4 2759 B9R1.1 [13CH3]Oc1ccc(nc1)I 7a_100000687607_200025704644 [2,0,0,0,0,0|2,0,0]=4 2760 B9R1.1 [13CH3]Oc1ccc(nc1)N 34a_100015188713_200025704644 [2,0,0,0,0,0|2,0,0]=4 2761 B9R1.1 [13CH3]Oc1ccc(nc1)N 7a_100015188713_200025704644 [2,0,0,0,0,0|2,0,0]=4 2762 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_100000212171_200025704644 [2,0,0,0,0,0|1,1,0]=4 2763 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_200025704644_100000212171 [2,0,0,0,0,0|1,1,0]=4 2764 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [2,0,0,0,0,0|1,1,0]=4 2765 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [2,0,0,0,0,0|1,1,0]=4 2766 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [2,0,0,0,0,0|1,1,0]=4 2767 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [2,0,0,0,0,0|1,1,0]=4 2768 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [2,0,0,0,0,0|1,1,0]=4 2769 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [2,0,0,0,0,0|1,1,0]=4 2770 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [2,0,0,0,0,0|1,1,0]=4 2771 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [2,0,0,0,0,0|1,1,0]=4 2772 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|0,1,1]=4 2773 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [2,0,0,0,0,0|2,0,0]=4 2774 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [2,0,0,0,0,0|2,0,0]=4 2775 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [2,0,0,0,0,0|2,0,0]=4 2776 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [2,0,0,0,0,0|2,0,0]=4 2777 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [2,0,0,0,0,0|2,0,0]=4 2778 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [2,0,0,0,0,0|1,0,0]=3 2779 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [2,0,0,0,0,0|2,0,0]=4 2780 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [2,0,0,0,0,0|2,0,0]=4 2781 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,0,0,0,0,0|1,0,1]=4 2782 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [2,0,0,0,0,0|2,0,0]=4 2783 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [2,0,0,0,0,0|2,0,0]=4 2784 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [2,0,0,0,0,0|2,0,0]=4 2785 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [2,0,0,0,0,0|2,0,0]=4 2786 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [2,0,0,0,0,0|2,0,0]=4 2787 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [2,0,0,0,0,0|2,0,0]=4 2788 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [2,0,0,0,0,0|1,0,1]=4 2789 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [2,0,0,0,0,0|1,0,1]=4 2790 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [2,0,0,0,0,0|2,0,0]=4 2791 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [2,0,0,0,0,0|0,0,0]=2 2792 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [2,0,0,0,0,0|1,0,0]=3 2793 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [2,0,0,0,0,0|1,0,0]=3 2794 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [2,0,0,0,0,0|1,0,0]=3 2795 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [2,0,0,0,0,0|1,0,0]=3 2796 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [2,0,0,0,0,0|0,0,2]=4 2797 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [2,0,0,0,0,0|2,0,0]=4 2798 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [2,0,0,0,0,0|2,0,0]=4 2799 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [2,0,0,0,0,0|2,0,0]=4 2800 B9R1.69 Cc1c[nH]c(=O)c(n1)O 271570a_203496583355_100009858157 [2,0,0,0,0,0|2,0,0]=4 2801 B9R1.69 Cc1cc(c(=O)[nH]n1)O 271570a_203496583355_100009819039 [2,0,0,0,0,0|2,0,0]=4 2802 B9R1.69 Cc1cc(c(cn1)C)O 271570a_203496583355_100009862788 [2,0,0,0,0,0|1,0,1]=4 2803 B9R1.69 Cc1cc(c(cn1)F)O 271570a_203496583355_100009867690 [2,0,0,0,0,0|2,0,0]=4 2804 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100009843476 [2,0,0,0,0,0|1,0,1]=4 2805 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100011016184 [2,0,0,0,0,0|1,0,1]=4 2806 B9R1.69 Cc1cc(ccc1Br)O 271570a_203496583355_100009813585 [2,0,0,0,0,0|2,0,0]=4 2807 B9R1.69 Cc1cc(ccc1Cl)O 271570a_203496583355_100000049509 [2,0,0,0,0,0|2,0,0]=4 2808 B9R1.69 Cc1cc(ccc1F)O 271570a_203496583355_100011218330 [2,0,0,0,0,0|2,0,0]=4 2809 B9R1.69 Cc1cc(ccc1N)O 271570a_203496583355_100000211769 [2,0,0,0,0,0|2,0,0]=4 2810 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [2,0,0,0,0,0|1,0,1]=4 2811 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [2,0,0,0,0,0|1,0,1]=4 2812 B9R1.69 Cc1ccc(c(c1)Br)O 271570a_203496583355_100009813563 [2,0,0,0,0,0|1,0,1]=4 2813 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [2,0,0,0,0,0|1,0,1]=4 2814 B9R1.69 Cc1ccc(c(c1)Cl)O 271570a_203496583355_100011263221 [2,0,0,0,0,0|1,0,1]=4 2815 B9R1.69 Cc1ccc(c(c1)F)O 271570a_203496583355_100011216119 [2,0,0,0,0,0|1,0,1]=4 2816 B9R1.69 Cc1ccc(c(c1)N)O 271570a_203496583355_100011216686 [2,0,0,0,0,0|1,0,1]=4 2817 B9R1.69 Cc1ccc(c(c1)O)Br 271570a_203496583355_100012353751 [2,0,0,0,0,0|1,0,0]=3 2818 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [2,0,0,0,0,0|0,0,1]=3 2819 B9R1.69 Cc1ccc(c(c1)O)Cl 271570a_203496583355_100012356289 [2,0,0,0,0,0|1,0,0]=3 2820 B9R1.69 Cc1ccc(c(c1)O)F 271570a_203496583355_100000736223 [2,0,0,0,0,0|1,0,0]=3 2821 B9R1.69 Cc1ccc(c(c1)O)N 271570a_203496583355_100000210942 [2,0,0,0,0,0|1,0,0]=3 2822 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100000765521 [2,0,0,0,0,0|0,0,1]=3 2823 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100012002257 [2,0,0,0,0,0|0,0,1]=3 2824 B9R1.69 Cc1ccc(c(n1)O)C 271570a_203496583355_100009854376 [2,0,0,0,0,0|1,0,1]=4 2825 B9R1.69 Cc1ccc(c(n1)O)F 271570a_203496583355_100009817602 [2,0,0,0,0,0|2,0,0]=4 2826 B9R1.69 Cc1ccc(c(n1)O)N 271570a_203496583355_100000685570 [2,0,0,0,0,0|2,0,0]=4 2827 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100000702858 [2,0,0,0,0,0|1,0,1]=4 2828 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100009817604 [2,0,0,0,0,0|1,0,1]=4 2829 B9R1.69 Cc1ccc(cc1Br)O 271570a_203496583355_100011847877 [2,0,0,0,0,0|1,0,1]=4 2830 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [2,0,0,0,0,0|1,0,1]=4 2831 B9R1.69 Cc1ccc(cc1Cl)O 271570a_203496583355_100011216363 [2,0,0,0,0,0|1,0,1]=4 2832 B9R1.69 Cc1ccc(cc1F)O 271570a_203496583355_100000720648 [2,0,0,0,0,0|1,0,1]=4 2833 B9R1.69 Cc1ccc(cc1N)O 271570a_203496583355_100000761890 [2,0,0,0,0,0|1,0,1]=4 2834 B9R1.69 Cc1ccc(cc1O)Br 271570a_203496583355_100011344865 [2,0,0,0,0,0|1,0,1]=4 2835 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [2,0,0,0,0,0|1,0,1]=4 2836 B9R1.69 Cc1ccc(cc1O)F 271570a_203496583355_100011218078 [2,0,0,0,0,0|1,0,1]=4 2837 B9R1.69 Cc1ccc(cc1O)N 271570a_203496583355_100000736455 [2,0,0,0,0,0|1,0,1]=4 2838 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100000766334 [2,0,0,0,0,0|0,0,1]=3 2839 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100011380479 [2,0,0,0,0,0|0,0,1]=3 2840 B9R1.69 Cc1cnc(c(c1)O)C 271570a_203496583355_100009817436 [2,0,0,0,0,0|1,0,1]=4 2841 B9R1.69 Cc1cnc(c(c1)O)Cl 271570a_203496583355_100010210167 [2,0,0,0,0,0|2,0,0]=4 2842 B9R1.69 Cc1cnc(c(c1)O)F 271570a_203496583355_100000049784 [2,0,0,0,0,0|2,0,0]=4 2843 B9R1.69 Cc1cnc(c(c1)O)N 271570a_203496583355_100000049664 [2,0,0,0,0,0|2,0,0]=4 2844 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100000049931 [2,0,0,0,0,0|1,0,1]=4 2845 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100012000487 [2,0,0,0,0,0|1,0,1]=4 2846 B9R1.69 Cc1cnc(cc1O)O 271570a_203496583355_100000704368 [2,0,0,0,0,0|1,0,1]=4 2847 B9R1.69 Cc1cnc(cc1O)O 271570a_203496583355_100009831917 [2,0,0,0,0,0|1,0,1]=4 2848 B9R1.69 Cc1ncc(cc1O)O 271570a_203496583355_100009819603 [2,0,0,0,0,0|1,0,1]=4 2849 B9R1.69 Cc1ncc(cc1O)O 271570a_203496583355_100009864810 [2,0,0,0,0,0|1,0,1]=4 2850 B9R1.69 Cn1cc(ccc1=O)O 271570a_203496583355_100011245003 [2,0,0,0,0,0|2,0,0]=4 2851 B9R1.69 Cn1ccc(=O)c(c1)O 271570a_203496583355_100010750718 [2,0,0,0,0,0|1,0,0]=3 2852 B9R1.69 Nc1cc(ccc1Br)O 271570a_203496583355_100000750456 [2,0,0,0,0,0|2,0,0]=4 2853 B9R1.69 Nc1cc(ccc1Cl)O 271570a_203496583355_200000761891 [2,0,0,0,0,0|2,0,0]=4 2854 B9R1.69 Nc1cc(ccc1F)O 271570a_203496583355_100000740924 [2,0,0,0,0,0|2,0,0]=4 2855 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100000752626 [2,0,0,0,0,0|1,0,1]=4 2856 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100011999798 [2,0,0,0,0,0|1,0,1]=4 2857 B9R1.69 Nc1ccc(c(c1)O)Br 271570a_203496583355_100000750459 [2,0,0,0,0,0|2,0,0]=4 2858 B9R1.69 Nc1ccc(c(c1)O)Cl 271570a_203496583355_100012360549 [2,0,0,0,0,0|2,0,0]=4 2859 B9R1.69 Nc1ccc(c(c1)O)F 271570a_203496583355_100000760356 [2,0,0,0,0,0|2,0,0]=4 2860 B9R1.69 Nc1ccc(c(c1)O)N 271570a_203496583355_100011534242 [2,0,0,0,0,0|2,0,0]=4 2861 B9R1.69 Nc1ccc(c(c1)O)O 271570a_203496583355_100011534360 [2,0,0,0,0,0|1,0,1]=4 2862 B9R1.69 Nc1ccc(cc1Br)O 271570a_203496583355_100000750455 [2,0,0,0,0,0|2,0,0]=4 2863 B9R1.69 Nc1ccc(cc1Cl)O 271570a_203496583355_100011218065 [2,0,0,0,0,0|2,0,0]=4 2864 B9R1.69 Nc1ccc(cc1F)O 271570a_203496583355_100011215594 [2,0,0,0,0,0|2,0,0]=4 2865 B9R1.69 Nc1ccc(cc1N)O 271570a_203496583355_100000741789 [2,0,0,0,0,0|2,0,0]=4 2866 B9R1.69 Nc1ccc(cc1O)Br 271570a_203496583355_100000187925 [2,0,0,0,0,0|2,0,0]=4 2867 B9R1.69 Nc1ccc(cc1O)Cl 271570a_203496583355_100000761889 [2,0,0,0,0,0|2,0,0]=4 2868 B9R1.69 Nc1ccc(cc1O)F 271570a_203496583355_100000760547 [2,0,0,0,0,0|2,0,0]=4 2869 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100000739049 [2,0,0,0,0,0|1,0,0]=3 2870 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100012001276 [2,0,0,0,0,0|1,0,0]=3 2871 B9R1.69 Nc1ccc(nc1O)O 271570a_203496583355_100000718904 [2,0,0,0,0,0|2,0,0]=4 2872 B9R1.69 Nc1ncc(cc1O)O 271570a_203496583355_100009819042 [2,0,0,0,0,0|2,0,0]=4 2873 B9R1.69 O=c1[nH]cc(cc1Br)O 271570a_203496583355_100010125443 [2,0,0,0,0,0|2,0,0]=4 2874 B9R1.69 O=c1[nH]cc(cc1F)O 271570a_203496583355_100000723523 [2,0,0,0,0,0|2,0,0]=4 2875 B9R1.69 O=c1[nH]cc(cc1O)F 271570a_203496583355_100009817720 [2,0,0,0,0,0|2,0,0]=4 2876 B9R1.69 O=c1[nH]cc(cc1O)O 271570a_203496583355_100009814561 [2,0,0,0,0,0|1,0,0]=3 2877 B9R1.69 Oc1cc(c(cn1)F)O 271570a_203496583355_100009854642 [2,0,0,0,0,0|2,0,0]=4 2878 B9R1.69 Oc1cc(ccc1Br)Br 271570a_203496583355_100011483371 [2,0,0,0,0,0|2,0,0]=4 2879 B9R1.69 Oc1cc(ccc1Br)Cl 271570a_203496583355_100012339723 [2,0,0,0,0,0|2,0,0]=4 2880 B9R1.69 Oc1cc(ccc1Br)F 271570a_203496583355_100011217576 [2,0,0,0,0,0|2,0,0]=4 2881 B9R1.69 Oc1cc(ccc1Cl)Br 271570a_203496583355_100011772130 [2,0,0,0,0,0|2,0,0]=4 2882 B9R1.69 Oc1cc(ccc1Cl)Cl 271570a_203496583355_100000707729 [2,0,0,0,0,0|2,0,0]=4 2883 B9R1.69 Oc1cc(ccc1Cl)F 271570a_203496583355_100011217299 [2,0,0,0,0,0|2,0,0]=4 2884 B9R1.69 Oc1cc(ccc1F)Br 271570a_203496583355_100011217312 [2,0,0,0,0,0|2,0,0]=4 2885 B9R1.69 Oc1cc(ccc1F)Cl 271570a_203496583355_100011218116 [2,0,0,0,0,0|2,0,0]=4 2886 B9R1.69 Oc1cc(ccc1F)F 271570a_203496583355_100000750033 [2,0,0,0,0,0|2,0,0]=4 2887 B9R1.69 Oc1ccc(c(c1)Br)Br 271570a_203496583355_100012356285 [2,0,0,0,0,0|2,0,0]=4 2888 B9R1.69 Oc1ccc(c(c1)Br)Cl 271570a_203496583355_100012353702 [2,0,0,0,0,0|2,0,0]=4 2889 B9R1.69 Oc1ccc(c(c1)Br)F 271570a_203496583355_100012047266 [2,0,0,0,0,0|2,0,0]=4 2890 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100000701344 [2,0,0,0,0,0|1,0,1]=4 2891 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100012361655 [2,0,0,0,0,0|1,0,1]=4 2892 B9R1.69 Oc1ccc(c(c1)Cl)Br 271570a_203496583355_100012047281 [2,0,0,0,0,0|2,0,0]=4 2893 B9R1.69 Oc1ccc(c(c1)Cl)Cl 271570a_203496583355_100011214914 [2,0,0,0,0,0|2,0,0]=4 2894 B9R1.69 Oc1ccc(c(c1)Cl)F 271570a_203496583355_100011215976 [2,0,0,0,0,0|2,0,0]=4 2895 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100000047559 [2,0,0,0,0,0|1,0,1]=4 2896 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100012360047 [2,0,0,0,0,0|1,0,1]=4 2897 B9R1.69 Oc1ccc(c(c1)F)Br 271570a_203496583355_100000685389 [2,0,0,0,0,0|2,0,0]=4 2898 B9R1.69 Oc1ccc(c(c1)F)Cl 271570a_203496583355_100011216805 [2,0,0,0,0,0|2,0,0]=4 2899 B9R1.69 Oc1ccc(c(c1)F)F 271570a_203496583355_100000750028 [2,0,0,0,0,0|2,0,0]=4 2900 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000185481 [2,0,0,0,0,0|1,0,1]=4 2901 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000755031 [2,0,0,0,0,0|1,0,1]=4 2902 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012339312 [2,0,0,0,0,0|1,0,0]=3 2903 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012356990 [2,0,0,0,0,0|1,0,0]=3 2904 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100000049588 [2,0,0,0,0,0|1,0,0]=3 2905 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100011356854 [2,0,0,0,0,0|1,0,0]=3 2906 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000686035 [2,0,0,0,0,0|1,0,0]=3 2907 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000693481 [2,0,0,0,0,0|1,0,0]=3 2908 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813601 [2,0,0,0,0,0|0,0,1]=3 2909 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813629 [2,0,0,0,0,0|0,0,1]=3 2910 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813921 [2,0,0,0,0,0|0,0,1]=3 2911 B9R1.69 Oc1ccc(c(n1)O)F 271570a_203496583355_100010729010 [2,0,0,0,0,0|2,0,0]=4 2912 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012344904 [2,0,0,0,0,0|1,0,1]=4 2913 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012355227 [2,0,0,0,0,0|1,0,1]=4 2914 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100000050036 [2,0,0,0,0,0|1,0,1]=4 2915 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100011356953 [2,0,0,0,0,0|1,0,1]=4 2916 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000211999 [2,0,0,0,0,0|1,0,1]=4 2917 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000690578 [2,0,0,0,0,0|1,0,1]=4 2918 B9R1.69 Oc1cnc(c(c1)O)F 271570a_203496583355_100009817267 [2,0,0,0,0,0|2,0,0]=4 2919 B9R1.69 Oc1cnc(c(c1)O)F 271570a_203496583355_100009819871 [2,0,0,0,0,0|2,0,0]=4 2920 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [2,0,0,0,0,0|1,0,1]=4 2921 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [2,0,0,0,0,0|2,0,0]=4 2922 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [2,0,0,0,0,0|1,0,0]=3 2923 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [2,0,0,0,0,0|2,0,0]=4 2924 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [2,0,0,0,0,0|2,0,0]=4 2925 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [2,0,0,0,0,0|2,0,0]=4 2926 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [2,0,0,0,0,0|2,0,0]=4 2927 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [2,0,0,0,0,0|2,0,0]=4 2928 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [2,0,0,0,0,0|2,0,0]=4 2929 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [2,0,0,0,0,0|2,0,0]=4 2930 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [2,0,0,0,0,0|2,0,0]=4 2931 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [2,0,0,0,0,0|2,0,0]=4 2932 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [2,0,0,0,0,0|2,0,0]=4 2933 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [2,0,0,0,0,0|1,0,0]=3 2934 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [2,0,0,0,0,0|1,0,0]=3 2935 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [2,0,0,0,0,0|2,0,0]=4 2936 B9R1.2 CNc1ccnc(c1)O 271570a_203496583355_100009869472 [2,0,0,0,0,0|2,0,0]=4 2937 B9R1.2 CNc1cncc(c1)O 271570a_203496583355_100012184536 [2,0,0,0,0,0|2,0,0]=4 2938 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [2,0,0,0,0,0|1,0,0]=3 2939 B9R1.2 COc1cc(ncn1)O 271570a_203496583355_100012187182 [2,0,0,0,0,0|2,0,0]=4 2940 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [2,0,0,0,0,0|1,0,1]=4 2941 B9R1.2 COc1ccc[n+](c1)[O-] 34a_100000039713_200000210301 [2,0,0,0,0,0|1,0,1]=4 2942 B9R1.2 COc1ccc[n+](c1)[O-] 7a_100000039713_200000210301 [2,0,0,0,0,0|1,0,1]=4 2943 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [2,0,0,0,0,0|1,0,1]=4 2944 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [2,0,0,0,0,0|1,0,0]=3 2945 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [2,0,0,0,0,0|1,0,0]=3 2946 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [2,0,0,0,0,0|1,0,0]=3 2947 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [2,0,0,0,0,0|1,0,0]=3 2948 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [2,0,0,0,0,0|1,0,0]=3 2949 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [2,0,0,0,0,0|1,0,0]=3 2950 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [2,0,0,0,0,0|1,0,0]=3 2951 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [2,0,0,0,0,0|1,0,0]=3 2952 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [2,0,0,0,0,0|1,0,0]=3 2953 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [2,0,0,0,0,0|1,0,0]=3 2954 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [2,0,0,0,0,0|1,0,0]=3 2955 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [2,0,0,0,0,0|0,0,0]=2 2956 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [2,0,0,0,0,0|2,0,0]=4 2957 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [2,0,0,0,0,0|1,0,0]=3 2958 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [2,0,0,0,0,0|2,0,0]=4 2959 B9R1.2 COc1ccnc(c1)Cl 34a_100000762945_200000210301 [2,0,0,0,0,0|2,0,0]=4 2960 B9R1.2 COc1ccnc(c1)F 34a_100000732698_200000210301 [2,0,0,0,0,0|2,0,0]=4 2961 B9R1.2 COc1ccnc(c1)N 34a_100011834064_200000210301 [2,0,0,0,0,0|2,0,0]=4 2962 B9R1.2 COc1ccnc(c1)O 271570a_203496583355_100011216251 [2,0,0,0,0,0|1,0,0]=3 2963 B9R1.2 COc1ccnc(n1)O 271570a_203496583355_100000182009 [2,0,0,0,0,0|2,0,0]=4 2964 B9R1.2 COc1cncc(c1)Br 34a_100000754920_200000210301 [2,0,0,0,0,0|2,0,0]=4 2965 B9R1.2 COc1cncc(c1)Br 7a_100000754920_200000210301 [2,0,0,0,0,0|2,0,0]=4 2966 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [2,0,0,0,0,0|2,0,0]=4 2967 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [2,0,0,0,0,0|2,0,0]=4 2968 B9R1.2 COc1cncc(c1)Cl 7a_100000032511_200000210301 [2,0,0,0,0,0|2,0,0]=4 2969 B9R1.2 COc1cncc(c1)F 34a_100011830296_200000210301 [2,0,0,0,0,0|2,0,0]=4 2970 B9R1.2 COc1cncc(c1)F 7a_100011830296_200000210301 [2,0,0,0,0,0|2,0,0]=4 2971 B9R1.2 COc1cncc(c1)N 34a_100011997051_200000210301 [2,0,0,0,0,0|2,0,0]=4 2972 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [2,0,0,0,0,0|1,0,0]=3 2973 B9R1.2 COc1cncc(n1)O 271570a_203496583355_100000756030 [2,0,0,0,0,0|2,0,0]=4 2974 B9R1.2 COc1cnnc(c1)O 271570a_203496583355_100000087634 [2,0,0,0,0,0|2,0,0]=4 2975 B9R1.2 COc1nccc(n1)O 271570a_203496583355_100000069072 [2,0,0,0,0,0|2,0,0]=4 2976 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [2,0,0,0,0,0|1,1,0]=4 2977 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [2,0,0,0,0,0|1,1,0]=4 2978 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [2,0,0,0,0,0|1,1,0]=4 2979 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [2,0,0,0,0,0|1,1,0]=4 2980 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [2,0,0,0,0,0|1,1,0]=4 2981 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [2,0,0,0,0,0|1,1,0]=4 2982 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [2,0,0,0,0,0|1,1,0]=4 2983 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [2,0,0,0,0,0|1,1,0]=4 2984 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [2,0,0,0,0,0|1,1,0]=4 2985 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [2,0,0,0,0,0|1,1,0]=4 2986 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [2,0,0,0,0,0|1,1,0]=4 2987 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [2,0,0,0,0,0|0,1,0]=3 2988 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [2,0,0,0,0,0|0,1,0]=3 2989 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [2,0,0,0,0,0|0,2,0]=4 2990 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [2,0,0,0,0,0|0,2,0]=4 2991 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [2,0,0,0,0,0|1,1,0]=4 2992 B9R1.2 CSc1ccnc(c1)O 271570a_203496583355_100010883326 [2,0,0,0,0,0|1,1,0]=4 2993 B9R1.2 CSc1cncc(c1)O 271570a_203496583355_100009816972 [2,0,0,0,0,0|1,1,0]=4 2994 B9R1.2 CSc1cncc(c1)O 62a_100000754920_200000210301 [2,0,0,0,0,0|1,1,0]=4 2995 B9R1.2 CSc1cncc(c1)O 62a_200000210301_100000754920 [2,0,0,0,0,0|1,1,0]=4 2996 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [2,0,0,0,0,0|2,0,0]=4 2997 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [2,0,0,0,0,0|2,0,0]=4 2998 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [2,0,0,0,0,0|2,0,0]=4 2999 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [2,0,0,0,0,0|1,0,0]=3 3000 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [2,0,0,0,0,0|1,0,0]=3 3001 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [2,0,0,0,0,0|1,1,0]=4 3002 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [2,0,0,0,0,0|1,1,0]=4 3003 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [2,0,0,0,0,0|2,0,0]=4 3004 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [2,0,0,0,0,0|2,0,0]=4 3005 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [2,0,0,0,0,0|2,0,0]=4 3006 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [2,0,0,0,0,0|2,0,0]=4 3007 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [2,0,0,0,0,0|2,0,0]=4 3008 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [2,0,0,0,0,0|2,0,0]=4 3009 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [2,0,0,0,0,0|2,0,0]=4 3010 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [2,0,0,0,0,0|2,0,0]=4 3011 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [2,0,0,0,0,0|2,0,0]=4 3012 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [2,0,0,0,0,0|2,0,0]=4 3013 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [2,0,0,0,0,0|2,0,0]=4 3014 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [2,0,0,0,0,0|2,0,0]=4 3015 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [2,0,0,0,0,0|1,0,0]=3 3016 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [2,0,0,0,0,0|1,0,1]=4 3017 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 34a_100000039713_200025704644 [2,0,0,0,0,0|1,0,1]=4 3018 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 7a_100000039713_200025704644 [2,0,0,0,0,0|1,0,1]=4 3019 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [2,0,0,0,0,0|1,0,1]=4 3020 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [2,0,0,0,0,0|1,0,0]=3 3021 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [2,0,0,0,0,0|1,0,0]=3 3022 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [2,0,0,0,0,0|1,0,0]=3 3023 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [2,0,0,0,0,0|1,0,0]=3 3024 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [2,0,0,0,0,0|1,0,0]=3 3025 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [2,0,0,0,0,0|1,0,0]=3 3026 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [2,0,0,0,0,0|1,0,0]=3 3027 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [2,0,0,0,0,0|1,0,0]=3 3028 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [2,0,0,0,0,0|1,0,0]=3 3029 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [2,0,0,0,0,0|2,0,0]=4 3030 B9R1.2 [13CH3]Oc1ccnc(c1)Cl 34a_100000762945_200025704644 [2,0,0,0,0,0|2,0,0]=4 3031 B9R1.2 [13CH3]Oc1ccnc(c1)F 34a_100000732698_200025704644 [2,0,0,0,0,0|2,0,0]=4 3032 B9R1.2 [13CH3]Oc1ccnc(c1)N 34a_100011834064_200025704644 [2,0,0,0,0,0|2,0,0]=4 3033 B9R1.2 [13CH3]Oc1cncc(c1)Br 34a_100000754920_200025704644 [2,0,0,0,0,0|2,0,0]=4 3034 B9R1.2 [13CH3]Oc1cncc(c1)Br 7a_100000754920_200025704644 [2,0,0,0,0,0|2,0,0]=4 3035 B9R1.2 [13CH3]Oc1cncc(c1)Cl 7a_100000032511_200025704644 [2,0,0,0,0,0|2,0,0]=4 3036 B9R1.2 [13CH3]Oc1cncc(c1)F 34a_100011830296_200025704644 [2,0,0,0,0,0|2,0,0]=4 3037 B9R1.2 [13CH3]Oc1cncc(c1)F 7a_100011830296_200025704644 [2,0,0,0,0,0|2,0,0]=4 3038 B9R1.2 [13CH3]Oc1cncc(c1)N 34a_100011997051_200025704644 [2,0,0,0,0,0|2,0,0]=4 3039 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [2,0,0,0,0,0|1,1,0]=4 3040 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [2,0,0,0,0,0|1,1,0]=4 3041 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [2,0,0,0,0,0|1,1,0]=4 3042 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [2,0,0,0,0,0|1,1,0]=4 3043 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [2,0,0,0,0,0|1,1,0]=4 3044 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [2,0,0,0,0,0|1,1,0]=4 3045 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [2,0,0,0,0,0|1,1,0]=4 3046 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [2,0,0,0,0,0|1,1,0]=4 3047 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [2,0,0,0,0,0|1,1,0]=4 3048 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [2,0,0,0,0,0|0,1,0]=3 3049 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [2,0,0,0,0,0|0,2,0]=4 3050 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [2,0,0,0,0,0|0,2,0]=4 3051 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_100000754920_200025704644 [2,0,0,0,0,0|1,1,0]=4 3052 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_200025704644_100000754920 [2,0,0,0,0,0|1,1,0]=4 3053 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [1,1,0,0,0,0|1,0,1]=4 3054 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [1,1,0,0,0,0|1,0,1]=4 3055 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [1,1,0,0,0,0|1,0,0]=3 3056 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [1,1,0,0,0,0|2,0,0]=4 3057 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [1,1,0,0,0,0|2,0,0]=4 3058 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [1,1,0,0,0,0|1,0,0]=3 3059 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [1,1,0,0,0,0|1,0,0]=3 3060 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [1,1,0,0,0,0|1,0,0]=3 3061 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [1,1,0,0,0,0|1,0,0]=3 3062 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [1,1,0,0,0,0|1,0,0]=3 3063 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [1,1,0,0,0,0|1,1,0]=4 3064 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [1,1,0,0,0,0|1,1,0]=4 3065 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [1,1,0,0,0,0|1,1,0]=4 3066 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [1,1,0,0,0,0|1,1,0]=4 3067 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [1,1,0,0,0,0|1,1,0]=4 3068 B11R1.3 C=C(C)c1ccc(cn1)C=O 271570a_100000694244_100000766901 [1,1,0,0,0,0|2,0,0]=4 3069 B11R1.3 C=C(C)c1ccc(cn1)OC 271570a_100000694244_100000755202 [1,1,0,0,0,0|2,0,0]=4 3070 B11R1.3 C=C(C)c1ccc(nc1)C=O 271570a_100000694244_100000754260 [1,1,0,0,0,0|2,0,0]=4 3071 B11R1.3 C=C(C)c1ccc(nc1)OC 271570a_100000694244_100000047065 [1,1,0,0,0,0|2,0,0]=4 3072 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [1,1,0,0,0,0|2,0,0]=4 3073 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [1,1,0,0,0,0|1,0,1]=4 3074 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [1,1,0,0,0,0|1,0,1]=4 3075 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [1,1,0,0,0,0|1,0,1]=4 3076 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [1,1,0,0,0,0|1,0,1]=4 3077 B11R1.3 C=Cc1ccc(cc1)C(C)C 271570a_100011290941_100000750031 [1,1,0,0,0,0|2,0,0]=4 3078 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [1,1,0,0,0,0|2,0,0]=4 3079 B11R1.3 C=Cc1ccc(cc1)N(C)C 271570a_100011290941_100000210421 [1,1,0,0,0,0|2,0,0]=4 3080 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [1,1,0,0,0,0|1,1,0]=4 3081 B11R1.3 C=Cc1ccc(cc1)[C@@H](C)N 271570a_100011290941_100000720352 [1,1,0,0,0,0|2,0,0]=4 3082 B11R1.3 C=Cc1ccc(cc1)[C@H](C)N 271570a_100011290941_100000753911 [1,1,0,0,0,0|2,0,0]=4 3083 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [1,1,0,0,0,0|2,0,0]=4 3084 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [1,1,0,0,0,0|2,0,0]=4 3085 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [1,1,0,0,0,0|0,0,0]=2 3086 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [1,1,0,0,0,0|0,0,0]=2 3087 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [1,1,0,0,0,0|0,1,0]=3 3088 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [1,1,0,0,0,0|0,1,0]=3 3089 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [1,1,0,0,0,0|1,0,0]=3 3090 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [1,1,0,0,0,0|1,0,0]=3 3091 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [1,1,0,0,0,0|1,1,0]=4 3092 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [1,1,0,0,0,0|1,1,0]=4 3093 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [1,1,0,0,0,0|1,1,0]=4 3094 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [1,1,0,0,0,0|1,1,0]=4 3095 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [1,1,0,0,0,0|1,0,1]=4 3096 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [1,1,0,0,0,0|1,0,1]=4 3097 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [1,1,0,0,0,0|0,0,2]=4 3098 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [1,1,0,0,0,0|0,0,2]=4 3099 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [1,1,0,0,0,0|1,0,0]=3 3100 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [1,1,0,0,0,0|1,0,0]=3 3101 B11R1.3 CN(C)c1ccc(cc1)O[13CH3] 34a_100000718910_200025704644 [1,1,0,0,0,0|2,0,0]=4 3102 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [1,1,0,0,0,0|1,0,0]=3 3103 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [1,1,0,0,0,0|1,0,0]=3 3104 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [1,1,0,0,0,0|2,0,0]=4 3105 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [1,1,0,0,0,0|2,0,0]=4 3106 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [1,1,0,0,0,0|2,0,0]=4 3107 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [1,1,0,0,0,0|2,0,0]=4 3108 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [1,1,0,0,0,0|0,0,0]=2 3109 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [1,1,0,0,0,0|0,0,0]=2 3110 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [1,1,0,0,0,0|0,0,0]=2 3111 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [1,1,0,0,0,0|0,0,0]=2 3112 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [1,1,0,0,0,0|0,0,0]=2 3113 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [1,1,0,0,0,0|0,0,0]=2 3114 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [1,1,0,0,0,0|1,0,1]=4 3115 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [1,1,0,0,0,0|1,0,1]=4 3116 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [1,1,0,0,0,0|0,0,2]=4 3117 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [1,1,0,0,0,0|0,0,2]=4 3118 B11R1.3 COc1ccc(cc1)N(C)C 2230a_100000220023_200000210301 [1,1,0,0,0,0|2,0,0]=4 3119 B11R1.3 COc1ccc(cc1)N(C)C 269982a_100000220023_200000210301 [1,1,0,0,0,0|2,0,0]=4 3120 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000220023_200000210301 [1,1,0,0,0,0|2,0,0]=4 3121 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000718910_200000210301 [1,1,0,0,0,0|2,0,0]=4 3122 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 2230a_100000220023_200025704644 [1,1,0,0,0,0|2,0,0]=4 3123 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 269982a_100000220023_200025704644 [1,1,0,0,0,0|2,0,0]=4 3124 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 34a_100000220023_200025704644 [1,1,0,0,0,0|2,0,0]=4 3125 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [1,1,0,0,0,0|1,0,0]=3 3126 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [1,1,0,0,0,0|1,0,0]=3 3127 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [1,1,0,0,0,0|1,0,1]=4 3128 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [1,1,0,0,0,0|1,0,0]=3 3129 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [1,1,0,0,0,0|1,0,0]=3 3130 B11R1.3 COc1ccc(cc1)[S+](C)C 34a_100010188728_200000210301 [1,1,0,0,0,0|2,0,0]=4 3131 B11R1.3 COc1ccc(cc1)[S+](C)C 7a_100010188728_200000210301 [1,1,0,0,0,0|2,0,0]=4 3132 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [1,1,0,0,0,0|1,0,0]=3 3133 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [1,1,0,0,0,0|1,0,0]=3 3134 B11R1.3 COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200000210301 [1,1,0,0,0,0|2,0,0]=4 3135 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [1,1,0,0,0,0|1,0,0]=3 3136 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [1,1,0,0,0,0|1,0,0]=3 3137 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [1,1,0,0,0,0|1,1,0]=4 3138 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [1,1,0,0,0,0|0,1,0]=3 3139 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [1,1,0,0,0,0|0,1,0]=3 3140 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [1,1,0,0,0,0|0,1,0]=3 3141 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [1,1,0,0,0,0|0,1,0]=3 3142 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [1,1,0,0,0,0|0,1,0]=3 3143 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [1,1,0,0,0,0|0,1,0]=3 3144 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [1,1,0,0,0,0|1,1,0]=4 3145 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [1,1,0,0,0,0|1,1,0]=4 3146 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [1,1,0,0,0,0|1,1,0]=4 3147 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [1,1,0,0,0,0|1,1,0]=4 3148 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [1,1,0,0,0,0|1,1,0]=4 3149 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [1,1,0,0,0,0|1,1,0]=4 3150 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [1,1,0,0,0,0|1,1,0]=4 3151 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [1,1,0,0,0,0|1,1,0]=4 3152 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [1,1,0,0,0,0|1,1,0]=4 3153 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [1,1,0,0,0,0|1,0,1]=4 3154 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 34a_100010188728_200025704644 [1,1,0,0,0,0|2,0,0]=4 3155 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 7a_100010188728_200025704644 [1,1,0,0,0,0|2,0,0]=4 3156 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [1,1,0,0,0,0|2,0,0]=4 3157 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [1,1,0,0,0,0|2,0,0]=4 3158 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [1,1,0,0,0,0|1,0,0]=3 3159 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [1,1,0,0,0,0|2,0,0]=4 3160 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [1,1,0,0,0,0|2,0,0]=4 3161 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [1,1,0,0,0,0|0,0,0]=2 3162 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [1,1,0,0,0,0|0,0,0]=2 3163 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [1,1,0,0,0,0|1,0,0]=3 3164 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [1,1,0,0,0,0|1,0,0]=3 3165 B11R1.3 [13CH3]Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200025704644 [1,1,0,0,0,0|2,0,0]=4 3166 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [1,1,0,0,0,0|0,1,0]=3 3167 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [1,1,0,0,0,0|0,1,0]=3 3168 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [1,1,0,0,0,0|1,1,0]=4 3169 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [1,1,0,0,0,0|1,1,0]=4 3170 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [1,1,0,0,0,0|1,1,0]=4 3171 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [1,1,0,0,0,0|1,1,0]=4 3172 B11R1.83 C#Cc1ccc(cc1)COC 34a_100000054647_200000210301 [1,1,0,0,0,0|1,0,1]=4 3173 B11R1.83 C#Cc1ccc(cc1)COC 34a_100138415774_100000140223 [1,1,0,0,0,0|1,0,1]=4 3174 B11R1.83 C#Cc1ccc(cc1)COC 7a_100000054647_200000210301 [1,1,0,0,0,0|1,0,1]=4 3175 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 34a_100000054647_200025704644 [1,1,0,0,0,0|1,0,1]=4 3176 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 7a_100000054647_200025704644 [1,1,0,0,0,0|1,0,1]=4 3177 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_100016259036_200000210301 [1,1,0,0,0,0|1,1,0]=4 3178 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_200000210301_100016259036 [1,1,0,0,0,0|1,1,0]=4 3179 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_100016259036_200025704644 [1,1,0,0,0,0|1,1,0]=4 3180 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100016259036 [1,1,0,0,0,0|1,1,0]=4 3181 B11R1.83 C=C=Cc1ccc(cc1)C=O 271570a_100015277604_100000186029 [1,1,0,0,0,0|1,0,1]=4 3182 B11R1.83 C=C=Cc1ccc(cc1)CC 271570a_100015277604_100011215824 [1,1,0,0,0,0|2,0,0]=4 3183 B11R1.83 C=C=Cc1ccc(cc1)NC 271570a_100015277604_100000219623 [1,1,0,0,0,0|2,0,0]=4 3184 B11R1.83 C=C=Cc1ccc(cc1)OC 271570a_100015277604_100000171711 [1,1,0,0,0,0|1,0,0]=3 3185 B11R1.83 C=C=Cc1ccc(cc1)SC 271570a_100015277604_100011263217 [1,1,0,0,0,0|1,1,0]=4 3186 B11R1.83 C=C=Cc1ccc(cn1)OC 271570a_100015277604_100000755202 [1,1,0,0,0,0|2,0,0]=4 3187 B11R1.83 C=C=Cc1ccc(nc1)OC 271570a_100015277604_100000047065 [1,1,0,0,0,0|2,0,0]=4 3188 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [1,1,0,0,0,0|1,0,0]=3 3189 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [1,1,0,0,0,0|1,0,0]=3 3190 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [1,1,0,0,0,0|1,0,0]=3 3191 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [1,1,0,0,0,0|1,0,0]=3 3192 B11R1.83 C=COc1ccc(cc1)SC 62a_100000704263_200000210301 [1,1,0,0,0,0|1,1,0]=4 3193 B11R1.83 C=COc1ccc(cc1)SC 62a_200000210301_100000704263 [1,1,0,0,0,0|1,1,0]=4 3194 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_100000704263_200025704644 [1,1,0,0,0,0|1,1,0]=4 3195 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_200025704644_100000704263 [1,1,0,0,0,0|1,1,0]=4 3196 B11R1.83 C=Cc1ccc(cc1)/C=C/C 271570a_100011290941_100016259036 [1,1,0,0,0,0|2,0,0]=4 3197 B11R1.83 C=Cc1ccc(cc1)CC=O 271570a_100011290941_100011361690 [1,1,0,0,0,0|1,0,1]=4 3198 B11R1.83 C=Cc1ccc(cc1)CCC 271570a_100011290941_100000750032 [1,1,0,0,0,0|2,0,0]=4 3199 B11R1.83 C=Cc1ccc(cc1)CCN 271570a_100011290941_100000755846 [1,1,0,0,0,0|2,0,0]=4 3200 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [1,1,0,0,0,0|2,0,0]=4 3201 B11R1.83 C=Cc1ccc(cc1)CNC 2230a_106832991635_100000034074 [1,1,0,0,0,0|2,0,0]=4 3202 B11R1.83 C=Cc1ccc(cc1)CNC 26a_100102657272_100000189437 [1,1,0,0,0,0|2,0,0]=4 3203 B11R1.83 C=Cc1ccc(cc1)CNC 270004a_106832991635_100011361436 [1,1,0,0,0,0|2,0,0]=4 3204 B11R1.83 C=Cc1ccc(cc1)CNC 271570a_100011290941_100000180866 [1,1,0,0,0,0|2,0,0]=4 3205 B11R1.83 C=Cc1ccc(cc1)CNC 34a_100102657272_100000034074 [1,1,0,0,0,0|2,0,0]=4 3206 B11R1.83 C=Cc1ccc(cc1)CNC 34a_200011934891_200000210301 [1,1,0,0,0,0|2,0,0]=4 3207 B11R1.83 C=Cc1ccc(cc1)CNC 7a_106832991635_100000034074 [1,1,0,0,0,0|2,0,0]=4 3208 B11R1.83 C=Cc1ccc(cc1)CN[13CH3] 34a_200011934891_200025704644 [1,1,0,0,0,0|2,0,0]=4 3209 B11R1.83 C=Cc1ccc(cc1)COC 271570a_100011290941_100011493685 [1,1,0,0,0,0|1,0,0]=3 3210 B11R1.83 C=Cc1ccc(cc1)COC 34a_100000073583_200000210301 [1,1,0,0,0,0|1,0,0]=3 3211 B11R1.83 C=Cc1ccc(cc1)COC 34a_100138415774_100000034074 [1,1,0,0,0,0|1,0,0]=3 3212 B11R1.83 C=Cc1ccc(cc1)COC 7a_100000073583_200000210301 [1,1,0,0,0,0|1,0,0]=3 3213 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 34a_100000073583_200025704644 [1,1,0,0,0,0|1,0,0]=3 3214 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 7a_100000073583_200025704644 [1,1,0,0,0,0|1,0,0]=3 3215 B11R1.83 C=Cc1ccc(cc1)CSC 62a_100000034074_200000210301 [1,1,0,0,0,0|1,1,0]=4 3216 B11R1.83 C=Cc1ccc(cc1)CSC 62a_200000210301_100000034074 [1,1,0,0,0,0|1,1,0]=4 3217 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_100000034074_200025704644 [1,1,0,0,0,0|1,1,0]=4 3218 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000034074 [1,1,0,0,0,0|1,1,0]=4 3219 B11R1.83 C=Cc1ccc(cc1)NCC 271570a_100011290941_100000219632 [1,1,0,0,0,0|2,0,0]=4 3220 B11R1.83 C=Cc1ccc(cc1)NCC 34a_100011218248_100000210202 [1,1,0,0,0,0|2,0,0]=4 3221 B11R1.83 C=Cc1ccc(cc1)NCF 34a_100011218248_100015361967 [1,1,0,0,0,0|2,0,0]=4 3222 B11R1.83 C=Cc1ccc(cc1)OCC 271570a_100011290941_100000169946 [1,1,0,0,0,0|1,0,0]=3 3223 B11R1.83 C=Cc1ccc(cc1)OCC 34a_100000189437_100000210202 [1,1,0,0,0,0|1,0,0]=3 3224 B11R1.83 C=Cc1ccc(cc1)OCC 7a_100000189437_100000210202 [1,1,0,0,0,0|1,0,0]=3 3225 B11R1.83 C=Cc1ccc(cc1)OCF 34a_100000189437_100015361967 [1,1,0,0,0,0|1,0,0]=3 3226 B11R1.83 C=Cc1ccc(cc1)OCF 7a_100000189437_100015361967 [1,1,0,0,0,0|1,0,0]=3 3227 B11R1.83 C=Cc1ccc(cc1)SCC 271570a_100011290941_200009811893 [1,1,0,0,0,0|1,1,0]=4 3228 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000210202_100000748128 [1,1,0,0,0,0|1,1,0]=4 3229 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000748128_100000210202 [1,1,0,0,0,0|1,1,0]=4 3230 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100000748128_100015361967 [1,1,0,0,0,0|1,1,0]=4 3231 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100015361967_100000748128 [1,1,0,0,0,0|1,1,0]=4 3232 B11R1.83 C=Cc1ccc(cn1)OCC 271570a_100011290941_100000753957 [1,1,0,0,0,0|2,0,0]=4 3233 B11R1.83 C=Cc1ccc(nc1)OCC 271570a_100011290941_100011219444 [1,1,0,0,0,0|2,0,0]=4 3234 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [1,1,0,0,0,0|1,0,0]=3 3235 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [1,1,0,0,0,0|2,0,0]=4 3236 B11R1.83 CC=Cc1ccc(cc1)NC 271570a_100016259895_100000219623 [1,1,0,0,0,0|2,0,0]=4 3237 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [1,1,0,0,0,0|1,0,0]=3 3238 B11R1.83 CC=Cc1ccc(cc1)SC 271570a_100016259895_100011263217 [1,1,0,0,0,0|1,1,0]=4 3239 B11R1.83 CC=Cc1ccc(cn1)C=O 271570a_100016259895_100000766901 [1,1,0,0,0,0|2,0,0]=4 3240 B11R1.83 CC=Cc1ccc(cn1)OC 271570a_100016259895_100000755202 [1,1,0,0,0,0|2,0,0]=4 3241 B11R1.83 CC=Cc1ccc(nc1)C=O 271570a_100016259895_100000754260 [1,1,0,0,0,0|2,0,0]=4 3242 B11R1.83 CC=Cc1ccc(nc1)OC 271570a_100016259895_100000047065 [1,1,0,0,0,0|2,0,0]=4 3243 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [1,1,0,0,0,0|1,0,1]=4 3244 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [1,1,0,0,0,0|1,0,1]=4 3245 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [1,1,0,0,0,0|1,0,1]=4 3246 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [1,1,0,0,0,0|1,0,1]=4 3247 B11R1.83 CCNc1ccc(cc1)OC 34a_100000184247_100000210202 [1,1,0,0,0,0|1,0,1]=4 3248 B11R1.83 CCNc1ccc(cc1)OC 34a_100011337800_200000210301 [1,1,0,0,0,0|1,0,1]=4 3249 B11R1.83 CCNc1ccc(cc1)OC 7a_100011337800_200000210301 [1,1,0,0,0,0|1,0,1]=4 3250 B11R1.83 CCNc1ccc(cc1)O[13CH3] 34a_100011337800_200025704644 [1,1,0,0,0,0|1,0,1]=4 3251 B11R1.83 CCNc1ccc(cc1)O[13CH3] 7a_100011337800_200025704644 [1,1,0,0,0,0|1,0,1]=4 3252 B11R1.83 CCOc1ccc(cc1)C#N 34a_100000210344_100000210202 [1,1,0,0,0,0|1,0,1]=4 3253 B11R1.83 CCOc1ccc(cc1)C#N 7a_100000210344_100000210202 [1,1,0,0,0,0|1,0,1]=4 3254 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [1,1,0,0,0,0|1,0,1]=4 3255 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [1,1,0,0,0,0|1,0,1]=4 3256 B11R1.83 CCOc1ccc(cc1)CN 34a_100000185549_100000210202 [1,1,0,0,0,0|1,0,1]=4 3257 B11R1.83 CCOc1ccc(cc1)CO 34a_100000211755_100000210202 [1,1,0,0,0,0|0,0,2]=4 3258 B11R1.83 CCOc1ccc(cc1)NC 2230a_100000739623_200000210301 [1,1,0,0,0,0|2,0,0]=4 3259 B11R1.83 CCOc1ccc(cc1)NC 34a_100000182112_100000210202 [1,1,0,0,0,0|2,0,0]=4 3260 B11R1.83 CCOc1ccc(cc1)NC 34a_100000739623_200000210301 [1,1,0,0,0,0|2,0,0]=4 3261 B11R1.83 CCOc1ccc(cc1)N[13CH3] 2230a_100000739623_200025704644 [1,1,0,0,0,0|2,0,0]=4 3262 B11R1.83 CCOc1ccc(cc1)N[13CH3] 34a_100000739623_200025704644 [1,1,0,0,0,0|2,0,0]=4 3263 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [1,1,0,0,0,0|1,0,1]=4 3264 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [1,1,0,0,0,0|1,0,1]=4 3265 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [1,1,0,0,0,0|1,0,1]=4 3266 B11R1.83 CCOc1ccc(cc1)SC 34a_100000211864_100000210202 [1,1,0,0,0,0|2,0,0]=4 3267 B11R1.83 CCOc1ccc(cc1)SC 62a_200000210301_100000171712 [1,1,0,0,0,0|2,0,0]=4 3268 B11R1.83 CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000171712 [1,1,0,0,0,0|2,0,0]=4 3269 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000188517_100000210202 [1,1,0,0,0,0|0,1,0]=3 3270 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000210202_100000188517 [1,1,0,0,0,0|0,1,0]=3 3271 B11R1.83 CCSc1ccc(cc1)OC 62a_100000210202_100000171711 [1,1,0,0,0,0|1,0,1]=4 3272 B11R1.83 CCSc1ccc(cn1)C=O 62a_100000210202_100000766901 [1,1,0,0,0,0|1,1,0]=4 3273 B11R1.83 CCSc1ccc(cn1)C=O 62a_100000766901_100000210202 [1,1,0,0,0,0|1,1,0]=4 3274 B11R1.83 CCSc1ccc(nc1)C=O 62a_100000210202_100000754260 [1,1,0,0,0,0|1,1,0]=4 3275 B11R1.83 CCSc1ccc(nc1)C=O 62a_100000754260_100000210202 [1,1,0,0,0,0|1,1,0]=4 3276 B11R1.83 CCc1ccc(cc1)COC 34a_100000702245_200000210301 [1,1,0,0,0,0|1,0,1]=4 3277 B11R1.83 CCc1ccc(cc1)COC 34a_100138415774_100000747183 [1,1,0,0,0,0|1,0,1]=4 3278 B11R1.83 CCc1ccc(cc1)COC 7a_100000702245_200000210301 [1,1,0,0,0,0|1,0,1]=4 3279 B11R1.83 CCc1ccc(cc1)CO[13CH3] 34a_100000702245_200025704644 [1,1,0,0,0,0|1,0,1]=4 3280 B11R1.83 CCc1ccc(cc1)CO[13CH3] 7a_100000702245_200025704644 [1,1,0,0,0,0|1,0,1]=4 3281 B11R1.83 CCc1ccc(cc1)OCF 34a_100000211359_100015361967 [1,1,0,0,0,0|1,0,1]=4 3282 B11R1.83 CCc1ccc(cc1)OCF 7a_100000211359_100015361967 [1,1,0,0,0,0|1,0,1]=4 3283 B11R1.83 CNCc1ccc(cc1)C=O 2230a_106832991635_100009816848 [1,1,0,0,0,0|1,0,0]=3 3284 B11R1.83 CNCc1ccc(cc1)C=O 34a_100102657272_100009816848 [1,1,0,0,0,0|1,0,0]=3 3285 B11R1.83 CNCc1ccc(cc1)C=O 7a_106832991635_100009816848 [1,1,0,0,0,0|1,0,0]=3 3286 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [1,1,0,0,0,0|1,0,1]=4 3287 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [1,1,0,0,0,0|1,0,1]=4 3288 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [1,1,0,0,0,0|1,0,1]=4 3289 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [1,1,0,0,0,0|1,0,1]=4 3290 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [1,1,0,0,0,0|1,0,1]=4 3291 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [1,1,0,0,0,0|1,0,1]=4 3292 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [1,1,0,0,0,0|1,0,1]=4 3293 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [1,1,0,0,0,0|1,0,1]=4 3294 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [1,1,0,0,0,0|1,0,1]=4 3295 B11R1.83 CNc1ccc(cc1)COC 34a_100000694113_200000210301 [1,1,0,0,0,0|2,0,0]=4 3296 B11R1.83 CNc1ccc(cc1)OCF 34a_100000182112_100015361967 [1,1,0,0,0,0|2,0,0]=4 3297 B11R1.83 COCc1ccc(cc1)C#N 34a_100000238739_200000210301 [1,1,0,0,0,0|1,0,1]=4 3298 B11R1.83 COCc1ccc(cc1)C#N 34a_100138415774_100000184898 [1,1,0,0,0,0|1,0,1]=4 3299 B11R1.83 COCc1ccc(cc1)C#N 7a_100000238739_200000210301 [1,1,0,0,0,0|1,0,1]=4 3300 B11R1.83 COCc1ccc(cc1)C=O 34a_100138415774_100009816848 [1,1,0,0,0,0|0,0,0]=2 3301 B11R1.83 COCc1ccc(cc1)CBr 34a_100012353999_200000210301 [1,1,0,0,0,0|1,0,1]=4 3302 B11R1.83 COCc1ccc(cc1)CBr 7a_100012353999_200000210301 [1,1,0,0,0,0|1,0,1]=4 3303 B11R1.83 COCc1ccc(cc1)CCl 34a_100000067286_200000210301 [1,1,0,0,0,0|1,0,1]=4 3304 B11R1.83 COCc1ccc(cc1)CCl 7a_100000067286_200000210301 [1,1,0,0,0,0|1,0,1]=4 3305 B11R1.83 COCc1ccc(cc1)CN 34a_100015189231_200000210301 [1,1,0,0,0,0|1,0,1]=4 3306 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [1,1,0,0,0,0|0,0,2]=4 3307 B11R1.83 COCc1ccc(cc1)N[13CH3] 34a_100000694113_200025704644 [1,1,0,0,0,0|2,0,0]=4 3308 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [1,1,0,0,0,0|0,0,2]=4 3309 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [1,1,0,0,0,0|0,0,2]=4 3310 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [1,1,0,0,0,0|0,0,2]=4 3311 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [1,1,0,0,0,0|0,0,2]=4 3312 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [1,1,0,0,0,0|0,0,2]=4 3313 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [1,1,0,0,0,0|0,0,2]=4 3314 B11R1.83 COCc1ccc(cc1)SC 34a_100011215404_200000210301 [1,1,0,0,0,0|2,0,0]=4 3315 B11R1.83 COCc1ccc(cc1)SC 34a_100138415774_100000181263 [1,1,0,0,0,0|2,0,0]=4 3316 B11R1.83 COCc1ccc(cc1)SC 62a_100011493685_200000210301 [1,1,0,0,0,0|2,0,0]=4 3317 B11R1.83 COCc1ccc(cc1)SC 62a_200000210301_100011493685 [1,1,0,0,0,0|2,0,0]=4 3318 B11R1.83 COCc1ccc(cc1)SC 7a_100011215404_200000210301 [1,1,0,0,0,0|2,0,0]=4 3319 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_100011493685_200025704644 [1,1,0,0,0,0|2,0,0]=4 3320 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_200025704644_100011493685 [1,1,0,0,0,0|2,0,0]=4 3321 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [1,1,0,0,0,0|1,0,1]=4 3322 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [1,1,0,0,0,0|1,0,1]=4 3323 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [1,1,0,0,0,0|1,0,1]=4 3324 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [1,1,0,0,0,0|1,0,1]=4 3325 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [1,1,0,0,0,0|1,0,1]=4 3326 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [1,1,0,0,0,0|0,0,2]=4 3327 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [1,1,0,0,0,0|0,0,2]=4 3328 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [1,1,0,0,0,0|1,0,1]=4 3329 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [1,1,0,0,0,0|0,0,2]=4 3330 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [1,1,0,0,0,0|0,1,1]=4 3331 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [1,1,0,0,0,0|0,1,1]=4 3332 B11R1.83 COc1ccc(cc1)NCF 34a_100000184247_100015361967 [1,1,0,0,0,0|1,0,1]=4 3333 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [1,1,0,0,0,0|1,0,1]=4 3334 B11R1.83 COc1ccc(cc1)SCF 62a_100015361967_100000171711 [1,1,0,0,0,0|1,0,1]=4 3335 B11R1.83 CSCc1ccc(cc1)C=O 62a_100009816848_200000210301 [1,1,0,0,0,0|0,1,0]=3 3336 B11R1.83 CSCc1ccc(cc1)C=O 62a_200000210301_100009816848 [1,1,0,0,0,0|0,1,0]=3 3337 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200000210301_200016255901 [1,1,0,0,0,0|1,1,0]=4 3338 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200016255901_200000210301 [1,1,0,0,0,0|1,1,0]=4 3339 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [1,1,0,0,0,0|0,1,0]=3 3340 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [1,1,0,0,0,0|0,1,0]=3 3341 B11R1.83 CSc1ccc(cc1)CO[13CH3] 34a_100011215404_200025704644 [1,1,0,0,0,0|2,0,0]=4 3342 B11R1.83 CSc1ccc(cc1)CO[13CH3] 7a_100011215404_200025704644 [1,1,0,0,0,0|2,0,0]=4 3343 B11R1.83 CSc1ccc(cc1)OCF 34a_100000211864_100015361967 [1,1,0,0,0,0|2,0,0]=4 3344 B11R1.83 N#Cc1ccc(cc1)OCF 34a_100000210344_100015361967 [1,1,0,0,0,0|1,0,1]=4 3345 B11R1.83 N#Cc1ccc(cc1)OCF 7a_100000210344_100015361967 [1,1,0,0,0,0|1,0,1]=4 3346 B11R1.83 NCc1ccc(cc1)OCF 34a_100000185549_100015361967 [1,1,0,0,0,0|1,0,1]=4 3347 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100000188517_100015361967 [1,1,0,0,0,0|0,1,0]=3 3348 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100015361967_100000188517 [1,1,0,0,0,0|0,1,0]=3 3349 B11R1.83 O=Cc1ccc(cn1)SCF 62a_100000754260_100015361967 [1,1,0,0,0,0|1,1,0]=4 3350 B11R1.83 O=Cc1ccc(cn1)SCF 62a_100015361967_100000754260 [1,1,0,0,0,0|1,1,0]=4 3351 B11R1.83 O=Cc1ccc(nc1)SCF 62a_100000766901_100015361967 [1,1,0,0,0,0|1,1,0]=4 3352 B11R1.83 O=Cc1ccc(nc1)SCF 62a_100015361967_100000766901 [1,1,0,0,0,0|1,1,0]=4 3353 B11R1.83 OCc1ccc(cc1)OCF 34a_100000211755_100015361967 [1,1,0,0,0,0|0,0,2]=4 3354 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 34a_100000238739_200025704644 [1,1,0,0,0,0|1,0,1]=4 3355 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 7a_100000238739_200025704644 [1,1,0,0,0,0|1,0,1]=4 3356 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 34a_100012353999_200025704644 [1,1,0,0,0,0|1,0,1]=4 3357 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 7a_100012353999_200025704644 [1,1,0,0,0,0|1,0,1]=4 3358 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 34a_100000067286_200025704644 [1,1,0,0,0,0|1,0,1]=4 3359 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 7a_100000067286_200025704644 [1,1,0,0,0,0|1,0,1]=4 3360 B11R1.83 [13CH3]OCc1ccc(cc1)CN 34a_100015189231_200025704644 [1,1,0,0,0,0|1,0,1]=4 3361 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [1,1,0,0,0,0|1,0,1]=4 3362 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [1,1,0,0,0,0|1,0,1]=4 3363 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [1,1,0,0,0,0|1,0,1]=4 3364 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [1,1,0,0,0,0|1,0,1]=4 3365 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [1,1,0,0,0,0|1,0,1]=4 3366 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [1,1,0,0,0,0|0,0,2]=4 3367 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [1,1,0,0,0,0|0,0,2]=4 3368 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_100009816848_200025704644 [1,1,0,0,0,0|0,1,0]=3 3369 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_200025704644_100009816848 [1,1,0,0,0,0|0,1,0]=3 3370 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200016255901_200025704644 [1,1,0,0,0,0|1,1,0]=4 3371 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200025704644_200016255901 [1,1,0,0,0,0|1,1,0]=4 3372 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [1,1,0,0,0,0|0,1,0]=3 3373 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [1,1,0,0,0,0|0,1,0]=3 3374 B11R1.37 C=Cc1cc(ccc1C=O)Br 271570a_100011290941_100010146562 [1,1,0,0,0,0|2,0,0]=4 3375 B11R1.37 C=Cc1cc(ccc1C=O)C 271570a_100011290941_100000692596 [1,1,0,0,0,0|1,0,0]=3 3376 B11R1.37 C=Cc1cc(ccc1C=O)F 271570a_100011290941_100000752949 [1,1,0,0,0,0|2,0,0]=4 3377 B11R1.37 C=Cc1cc(ccc1C=O)O 271570a_100011290941_100011236494 [1,1,0,0,0,0|1,0,0]=3 3378 B11R1.37 C=Cc1ccc(cc1C#N)C 271570a_100011290941_100011935190 [1,1,0,0,0,0|2,0,0]=4 3379 B11R1.37 C=Cc1ccc(cc1C#N)O 271570a_100011290941_100009818209 [1,1,0,0,0,0|2,0,0]=4 3380 B11R1.37 C=Cc1ccc(cc1C=O)C 271570a_100011290941_100011551863 [1,1,0,0,0,0|1,0,1]=4 3381 B11R1.37 C=Cc1ccc(cc1C=O)O 271570a_100011290941_100000690577 [1,1,0,0,0,0|1,0,1]=4 3382 B11R1.37 C=Cc1ccc(cc1CO)Br 271570a_100011290941_100011356890 [1,1,0,0,0,0|2,0,0]=4 3383 B11R1.37 C=Cc1ccc(cc1CO)C 271570a_100011290941_100012361352 [1,1,0,0,0,0|1,0,0]=3 3384 B11R1.37 C=Cc1ccc(cc1CO)F 271570a_100011290941_100011217561 [1,1,0,0,0,0|2,0,0]=4 3385 B11R1.37 C=Cc1ccc(cc1CO)N 271570a_100011290941_100012347228 [1,1,0,0,0,0|2,0,0]=4 3386 B11R1.37 C=Cc1ccc(cc1CO)O 271570a_100011290941_100012351483 [1,1,0,0,0,0|1,0,0]=3 3387 B11R1.37 C=Cc1ccc(cc1OC)Br 271570a_100011290941_100010245111 [1,1,0,0,0,0|2,0,0]=4 3388 B11R1.37 C=Cc1ccc(cc1OC)C 271570a_100011290941_100010200004 [1,1,0,0,0,0|1,0,0]=3 3389 B11R1.37 C=Cc1ccc(cc1OC)Cl 271570a_100011290941_100000050115 [1,1,0,0,0,0|2,0,0]=4 3390 B11R1.37 C=Cc1ccc(cc1OC)F 271570a_100011290941_100000757151 [1,1,0,0,0,0|2,0,0]=4 3391 B11R1.37 C=Cc1ccc(cc1OC)N 271570a_100011290941_100000765947 [1,1,0,0,0,0|2,0,0]=4 3392 B11R1.37 C=Cc1ccc(cc1OC)O 271570a_100011290941_100011827694 [1,1,0,0,0,0|1,0,0]=3 3393 B11R1.37 C=Cc1ccc(cc1SC)C 271570a_100011290941_200010709736 [1,1,0,0,0,0|1,1,0]=4 3394 B11R1.37 C=Cc1ccc(nc1CO)C 271570a_100011290941_100010074375 [1,1,0,0,0,0|2,0,0]=4 3395 B11R1.37 C=Cc1ccc(nc1OC)C 271570a_100011290941_100010138632 [1,1,0,0,0,0|2,0,0]=4 3396 B11R1.37 C=Cc1cnc(cc1CO)C 271570a_100011290941_100015579599 [1,1,0,0,0,0|2,0,0]=4 3397 B11R1.37 C=Cc1cnc(cc1OC)C 271570a_100011290941_100000717771 [1,1,0,0,0,0|2,0,0]=4 3398 B11R1.37 C=Cc1nc(ccc1C=O)C 271570a_100011290941_100000085379 [1,1,0,0,0,0|2,0,0]=4 3399 B11R1.37 C=Cc1ncc(cc1CO)C 271570a_100011290941_100000118064 [1,1,0,0,0,0|2,0,0]=4 3400 B11R1.37 C=Cc1ncc(cc1OC)C 271570a_100011290941_200000118316 [1,1,0,0,0,0|2,0,0]=4 3401 B11R1.37 CCc1cc(ccc1C=O)O 271570a_203496583355_100010209654 [1,1,0,0,0,0|1,0,0]=3 3402 B11R1.37 CCc1ccc(cc1CO)O 271570a_203496583355_100010766240 [1,1,0,0,0,0|1,0,1]=4 3403 B11R1.37 CCc1ccc(cc1OC)O 271570a_203496583355_200010710398 [1,1,0,0,0,0|1,0,1]=4 3404 B11R1.37 CNc1ccc(cc1CO)C 34a_100011215565_200000210301 [1,1,0,0,0,0|2,0,0]=4 3405 B11R1.37 CNc1ccc(cc1OC)C 2230a_100000746441_200000210301 [1,1,0,0,0,0|2,0,0]=4 3406 B11R1.37 CNc1ccc(cc1OC)C 34a_100000746441_200000210301 [1,1,0,0,0,0|2,0,0]=4 3407 B11R1.37 CNc1ccc(cc1OC)O 34a_100015326901_200000210301 [1,1,0,0,0,0|2,0,0]=4 3408 B11R1.37 COc1cc(ccc1C#N)C 34a_100011640519_200000210301 [1,1,0,0,0,0|1,0,1]=4 3409 B11R1.37 COc1cc(ccc1C#N)C 7a_100011640519_200000210301 [1,1,0,0,0,0|1,0,1]=4 3410 B11R1.37 COc1cc(ccc1C#N)O 271570a_203496583355_100000694671 [1,1,0,0,0,0|1,0,1]=4 3411 B11R1.37 COc1cc(ccc1C=O)O 271570a_203496583355_100000697075 [1,1,0,0,0,0|0,0,0]=2 3412 B11R1.37 COc1cc(ccc1CO)O 271570a_203496583355_100011277633 [1,1,0,0,0,0|0,0,2]=4 3413 B11R1.37 COc1cc(ccc1N[13CH3])C 2230a_100000746441_200025704644 [1,1,0,0,0,0|2,0,0]=4 3414 B11R1.37 COc1cc(ccc1N[13CH3])C 34a_100000746441_200025704644 [1,1,0,0,0,0|2,0,0]=4 3415 B11R1.37 COc1cc(ccc1N[13CH3])O 34a_100015326901_200025704644 [1,1,0,0,0,0|2,0,0]=4 3416 B11R1.37 COc1cc(ccc1O[13CH3])C 34a_100000186466_200025704644 [1,1,0,0,0,0|2,0,0]=4 3417 B11R1.37 COc1cc(ccc1SC)C 62a_100010200004_200000210301 [1,1,0,0,0,0|2,0,0]=4 3418 B11R1.37 COc1cc(ccc1SC)C 62a_200000210301_100010200004 [1,1,0,0,0,0|2,0,0]=4 3419 B11R1.37 COc1cc(ccc1SC)O 271570a_203496583355_200011001119 [1,1,0,0,0,0|2,0,0]=4 3420 B11R1.37 COc1cc(ccc1SC)O 62a_200000210301_100011827694 [1,1,0,0,0,0|2,0,0]=4 3421 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_100010200004_200025704644 [1,1,0,0,0,0|2,0,0]=4 3422 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_200025704644_100010200004 [1,1,0,0,0,0|2,0,0]=4 3423 B11R1.37 COc1cc(ccc1S[13CH3])O 62a_200025704644_100011827694 [1,1,0,0,0,0|2,0,0]=4 3424 B11R1.37 COc1cc(cnc1C=O)O 271570a_203496583355_100010246152 [1,1,0,0,0,0|1,0,0]=3 3425 B11R1.37 COc1ccc(cc1CO)C 34a_200011846009_200000210301 [1,1,0,0,0,0|2,0,0]=4 3426 B11R1.37 COc1ccc(cc1CO)C 7a_200011846009_200000210301 [1,1,0,0,0,0|2,0,0]=4 3427 B11R1.37 COc1ccc(cc1CO)O 271570a_203496583355_100000204679 [1,1,0,0,0,0|2,0,0]=4 3428 B11R1.37 COc1ccc(cc1OC)C 34a_100000186466_200000210301 [1,1,0,0,0,0|2,0,0]=4 3429 B11R1.37 COc1ccc(cc1OC)C 34a_100011216497_200000210301 [1,1,0,0,0,0|2,0,0]=4 3430 B11R1.37 COc1ccc(cc1OC)C 7a_100011216497_200000210301 [1,1,0,0,0,0|2,0,0]=4 3431 B11R1.37 COc1ccc(cc1OC)O 271570a_203496583355_100000187503 [1,1,0,0,0,0|2,0,0]=4 3432 B11R1.37 COc1ccc(cc1O[13CH3])C 34a_100011216497_200025704644 [1,1,0,0,0,0|2,0,0]=4 3433 B11R1.37 COc1ccc(cc1O[13CH3])C 7a_100011216497_200025704644 [1,1,0,0,0,0|2,0,0]=4 3434 B11R1.37 COc1nc(ccc1C=O)O 271570a_203496583355_100009864722 [1,1,0,0,0,0|1,0,0]=3 3435 B11R1.37 CSc1cc(ccc1C=O)Br 62a_100010146562_200000210301 [1,1,0,0,0,0|1,1,0]=4 3436 B11R1.37 CSc1cc(ccc1C=O)Br 62a_200000210301_100010146562 [1,1,0,0,0,0|1,1,0]=4 3437 B11R1.37 CSc1cc(ccc1C=O)C 62a_100011935181_200000210301 [1,1,0,0,0,0|0,1,0]=3 3438 B11R1.37 CSc1cc(ccc1C=O)C 62a_200000210301_100011935181 [1,1,0,0,0,0|0,1,0]=3 3439 B11R1.37 CSc1cc(ccc1C=O)F 62a_100000752949_200000210301 [1,1,0,0,0,0|1,1,0]=4 3440 B11R1.37 CSc1cc(ccc1C=O)F 62a_200000210301_100000752949 [1,1,0,0,0,0|1,1,0]=4 3441 B11R1.37 CSc1cc(ccc1C=O)O 62a_100011236494_200000210301 [1,1,0,0,0,0|0,1,0]=3 3442 B11R1.37 CSc1cc(ccc1C=O)O 62a_200000210301_100011236494 [1,1,0,0,0,0|0,1,0]=3 3443 B11R1.37 CSc1ccc(cc1CO)C 62a_100012361352_200000210301 [1,1,0,0,0,0|2,0,0]=4 3444 B11R1.37 CSc1ccc(cc1CO)C 62a_200000210301_100012361352 [1,1,0,0,0,0|2,0,0]=4 3445 B11R1.37 CSc1ccc(cc1CO)O 62a_100012351483_200000210301 [1,1,0,0,0,0|2,0,0]=4 3446 B11R1.37 CSc1ccc(cc1CO)O 62a_200000210301_100012351483 [1,1,0,0,0,0|2,0,0]=4 3447 B11R1.37 CSc1nc(ccc1C=O)C 62a_100000085379_200000210301 [1,1,0,0,0,0|1,1,0]=4 3448 B11R1.37 CSc1nc(ccc1C=O)C 62a_200000210301_100000085379 [1,1,0,0,0,0|1,1,0]=4 3449 B11R1.37 Cc1ccc(c(c1)CO)N[13CH3] 34a_100011215565_200025704644 [1,1,0,0,0,0|2,0,0]=4 3450 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 34a_200011846009_200025704644 [1,1,0,0,0,0|2,0,0]=4 3451 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 7a_200011846009_200025704644 [1,1,0,0,0,0|2,0,0]=4 3452 B11R1.37 Cc1ccc(c(c1)CO)S[13CH3] 62a_100012361352_200025704644 [1,1,0,0,0,0|2,0,0]=4 3453 B11R1.37 Cc1ccc(c(c1)CO)S[13CH3] 62a_200025704644_100012361352 [1,1,0,0,0,0|2,0,0]=4 3454 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 34a_100011640519_200025704644 [1,1,0,0,0,0|1,0,1]=4 3455 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 7a_100011640519_200025704644 [1,1,0,0,0,0|1,0,1]=4 3456 B11R1.37 Cc1ccc(c(c1)S[13CH3])C=O 62a_100011935181_200025704644 [1,1,0,0,0,0|0,1,0]=3 3457 B11R1.37 Cc1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100011935181 [1,1,0,0,0,0|0,1,0]=3 3458 B11R1.37 Cc1ccc(c(n1)S[13CH3])C=O 62a_100000085379_200025704644 [1,1,0,0,0,0|1,1,0]=4 3459 B11R1.37 Cc1ccc(c(n1)S[13CH3])C=O 62a_200025704644_100000085379 [1,1,0,0,0,0|1,1,0]=4 3460 B11R1.37 N#Cc1cc(ccc1C=O)O 271570a_203496583355_100012001787 [1,1,0,0,0,0|1,0,0]=3 3461 B11R1.37 O=Cc1ccc(cc1C=O)O 271570a_203496583355_200010077131 [1,1,0,0,0,0|0,0,1]=3 3462 B11R1.37 OCc1ccc(cc1CO)O 271570a_203496583355_100000719600 [1,1,0,0,0,0|0,0,2]=4 3463 B11R1.37 [13CH3]Sc1cc(ccc1C=O)Br 62a_100010146562_200025704644 [1,1,0,0,0,0|1,1,0]=4 3464 B11R1.37 [13CH3]Sc1cc(ccc1C=O)Br 62a_200025704644_100010146562 [1,1,0,0,0,0|1,1,0]=4 3465 B11R1.37 [13CH3]Sc1cc(ccc1C=O)F 62a_100000752949_200025704644 [1,1,0,0,0,0|1,1,0]=4 3466 B11R1.37 [13CH3]Sc1cc(ccc1C=O)F 62a_200025704644_100000752949 [1,1,0,0,0,0|1,1,0]=4 3467 B11R1.37 [13CH3]Sc1cc(ccc1C=O)O 62a_100011236494_200025704644 [1,1,0,0,0,0|0,1,0]=3 3468 B11R1.37 [13CH3]Sc1cc(ccc1C=O)O 62a_200025704644_100011236494 [1,1,0,0,0,0|0,1,0]=3 3469 B11R1.37 [13CH3]Sc1ccc(cc1CO)O 62a_100012351483_200025704644 [1,1,0,0,0,0|2,0,0]=4 3470 B11R1.37 [13CH3]Sc1ccc(cc1CO)O 62a_200025704644_100012351483 [1,1,0,0,0,0|2,0,0]=4 3471 B11R1.81 C=C=Cc1ccc(cc1Br)C 271570a_100015277604_100009813563 [1,1,0,0,0,0|2,0,0]=4 3472 B11R1.81 C=C=Cc1ccc(cc1Br)O 271570a_100015277604_100000701344 [1,1,0,0,0,0|2,0,0]=4 3473 B11R1.81 C=C=Cc1ccc(cc1C)C 271570a_100015277604_100011217332 [1,1,0,0,0,0|2,0,0]=4 3474 B11R1.81 C=C=Cc1ccc(cc1C)O 271570a_100015277604_100000729255 [1,1,0,0,0,0|2,0,0]=4 3475 B11R1.81 C=C=Cc1ccc(cc1Cl)C 271570a_100015277604_100011263221 [1,1,0,0,0,0|2,0,0]=4 3476 B11R1.81 C=C=Cc1ccc(cc1Cl)O 271570a_100015277604_100000047559 [1,1,0,0,0,0|2,0,0]=4 3477 B11R1.81 C=C=Cc1ccc(cc1F)C 271570a_100015277604_100011216119 [1,1,0,0,0,0|2,0,0]=4 3478 B11R1.81 C=C=Cc1ccc(cc1F)O 271570a_100015277604_100000755031 [1,1,0,0,0,0|2,0,0]=4 3479 B11R1.81 C=C=Cc1ccc(cc1N)C 271570a_100015277604_100011216686 [1,1,0,0,0,0|2,0,0]=4 3480 B11R1.81 C=C=Cc1ccc(cc1N)O 271570a_100015277604_100011999798 [1,1,0,0,0,0|2,0,0]=4 3481 B11R1.81 C=C=Cc1ccc(cc1O)Br 271570a_100015277604_100012344904 [1,1,0,0,0,0|2,0,0]=4 3482 B11R1.81 C=C=Cc1ccc(cc1O)C 271570a_100015277604_100012002257 [1,1,0,0,0,0|1,0,0]=3 3483 B11R1.81 C=C=Cc1ccc(cc1O)Cl 271570a_100015277604_100000050036 [1,1,0,0,0,0|2,0,0]=4 3484 B11R1.81 C=C=Cc1ccc(cc1O)F 271570a_100015277604_100000690578 [1,1,0,0,0,0|2,0,0]=4 3485 B11R1.81 C=C=Cc1ccc(cc1O)O 271570a_100015277604_100009813921 [1,1,0,0,0,0|1,0,0]=3 3486 B11R1.81 C=C=Cc1ccc(nc1O)C 271570a_100015277604_100009817604 [1,1,0,0,0,0|2,0,0]=4 3487 B11R1.81 C=C=Cc1cnc(cc1O)C 271570a_100015277604_100011016184 [1,1,0,0,0,0|2,0,0]=4 3488 B11R1.81 C=C=Cc1ncc(cc1O)C 271570a_100015277604_100012000487 [1,1,0,0,0,0|2,0,0]=4 3489 B11R1.81 CC=Cc1ccc(cc1Br)C 271570a_100016259895_100009813563 [1,1,0,0,0,0|2,0,0]=4 3490 B11R1.81 CC=Cc1ccc(cc1Br)O 271570a_100016259895_100000701344 [1,1,0,0,0,0|2,0,0]=4 3491 B11R1.81 CC=Cc1ccc(cc1C)C 271570a_100016259895_100011217332 [1,1,0,0,0,0|2,0,0]=4 3492 B11R1.81 CC=Cc1ccc(cc1C)O 271570a_100016259895_100000729255 [1,1,0,0,0,0|2,0,0]=4 3493 B11R1.81 CC=Cc1ccc(cc1Cl)C 271570a_100016259895_100011263221 [1,1,0,0,0,0|2,0,0]=4 3494 B11R1.81 CC=Cc1ccc(cc1Cl)O 271570a_100016259895_100000047559 [1,1,0,0,0,0|2,0,0]=4 3495 B11R1.81 CC=Cc1ccc(cc1F)C 271570a_100016259895_100011216119 [1,1,0,0,0,0|2,0,0]=4 3496 B11R1.81 CC=Cc1ccc(cc1F)O 271570a_100016259895_100000755031 [1,1,0,0,0,0|2,0,0]=4 3497 B11R1.81 CC=Cc1ccc(cc1N)C 271570a_100016259895_100011216686 [1,1,0,0,0,0|2,0,0]=4 3498 B11R1.81 CC=Cc1ccc(cc1N)O 271570a_100016259895_100011999798 [1,1,0,0,0,0|2,0,0]=4 3499 B11R1.81 CC=Cc1ccc(cc1O)Br 271570a_100016259895_100012344904 [1,1,0,0,0,0|2,0,0]=4 3500 B11R1.81 CC=Cc1ccc(cc1O)C 271570a_100016259895_100012002257 [1,1,0,0,0,0|1,0,0]=3 3501 B11R1.81 CC=Cc1ccc(cc1O)Cl 271570a_100016259895_100000050036 [1,1,0,0,0,0|2,0,0]=4 3502 B11R1.81 CC=Cc1ccc(cc1O)F 271570a_100016259895_100000690578 [1,1,0,0,0,0|2,0,0]=4 3503 B11R1.81 CC=Cc1ccc(cc1O)O 271570a_100016259895_100009813921 [1,1,0,0,0,0|1,0,0]=3 3504 B11R1.81 CC=Cc1ccc(nc1O)C 271570a_100016259895_100009817604 [1,1,0,0,0,0|2,0,0]=4 3505 B11R1.81 CC=Cc1cnc(cc1O)C 271570a_100016259895_100011016184 [1,1,0,0,0,0|2,0,0]=4 3506 B11R1.81 CC=Cc1ncc(cc1O)C 271570a_100016259895_100012000487 [1,1,0,0,0,0|2,0,0]=4 3507 B11R1.81 CCNc1ccc(cc1O)C 34a_100000211527_100000210202 [1,1,0,0,0,0|1,0,1]=4 3508 B11R1.81 CCNc1ccc(cc1O)O 34a_100000106777_100000210202 [1,1,0,0,0,0|1,0,1]=4 3509 B11R1.81 CCOc1ccc(cc1O)C 271570a_203496583355_200000230997 [1,1,0,0,0,0|1,0,1]=4 3510 B11R1.81 CCSc1ccc(cc1O)C 62a_100000210202_100012002257 [1,1,0,0,0,0|1,0,1]=4 3511 B11R1.81 CCSc1ccc(cc1O)C 62a_100012002257_100000210202 [1,1,0,0,0,0|1,0,1]=4 3512 B11R1.81 CCSc1ccc(cc1O)O 62a_100000210202_100009813921 [1,1,0,0,0,0|1,0,1]=4 3513 B11R1.81 Cc1ccc(c(c1)O)NCF 34a_100000211527_100015361967 [1,1,0,0,0,0|1,0,1]=4 3514 B11R1.81 Cc1ccc(c(c1)O)SCF 62a_100012002257_100015361967 [1,1,0,0,0,0|1,0,1]=4 3515 B11R1.81 Cc1ccc(c(c1)O)SCF 62a_100015361967_100012002257 [1,1,0,0,0,0|1,0,1]=4 3516 B11R1.81 Oc1ccc(c(c1)O)NCF 34a_100000106777_100015361967 [1,1,0,0,0,0|1,0,1]=4 3517 B11R1.81 Oc1ccc(c(c1)O)SCF 62a_100015361967_100009813921 [1,1,0,0,0,0|1,0,1]=4 3518 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [1,1,0,0,0,0|2,0,0]=4 3519 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [1,1,0,0,0,0|2,0,0]=4 3520 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [1,1,0,0,0,0|2,0,0]=4 3521 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [1,1,0,0,0,0|2,0,0]=4 3522 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [1,1,0,0,0,0|2,0,0]=4 3523 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [1,1,0,0,0,0|2,0,0]=4 3524 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [1,1,0,0,0,0|2,0,0]=4 3525 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [1,1,0,0,0,0|2,0,0]=4 3526 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [1,1,0,0,0,0|2,0,0]=4 3527 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [1,1,0,0,0,0|2,0,0]=4 3528 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [1,1,0,0,0,0|2,0,0]=4 3529 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [1,1,0,0,0,0|1,0,0]=3 3530 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [1,1,0,0,0,0|2,0,0]=4 3531 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [1,1,0,0,0,0|2,0,0]=4 3532 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [1,1,0,0,0,0|1,0,0]=3 3533 B11R1.166 C=C(C)c1ccc(nc1O)C 271570a_100000694244_100009817604 [1,1,0,0,0,0|2,0,0]=4 3534 B11R1.166 C=C(C)c1cnc(cc1O)C 271570a_100000694244_100011016184 [1,1,0,0,0,0|2,0,0]=4 3535 B11R1.166 C=C(C)c1ncc(cc1O)C 271570a_100000694244_100012000487 [1,1,0,0,0,0|2,0,0]=4 3536 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [1,1,0,0,0,0|2,0,0]=4 3537 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [1,1,0,0,0,0|1,0,0]=3 3538 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [1,1,0,0,0,0|2,0,0]=4 3539 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [1,1,0,0,0,0|2,0,0]=4 3540 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [1,1,0,0,0,0|2,0,0]=4 3541 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [1,1,0,0,0,0|1,0,0]=3 3542 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [1,1,0,0,0,0|2,0,0]=4 3543 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [1,1,0,0,0,0|1,0,0]=3 3544 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [1,1,0,0,0,0|2,0,0]=4 3545 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [1,1,0,0,0,0|2,0,0]=4 3546 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [1,1,0,0,0,0|2,0,0]=4 3547 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [1,1,0,0,0,0|1,0,0]=3 3548 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [1,1,0,0,0,0|1,0,0]=3 3549 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [1,1,0,0,0,0|2,0,0]=4 3550 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [1,1,0,0,0,0|1,0,0]=3 3551 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [1,1,0,0,0,0|2,0,0]=4 3552 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [1,1,0,0,0,0|2,0,0]=4 3553 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [1,1,0,0,0,0|2,0,0]=4 3554 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [1,1,0,0,0,0|1,0,0]=3 3555 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [1,1,0,0,0,0|2,0,0]=4 3556 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [1,1,0,0,0,0|1,0,0]=3 3557 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [1,1,0,0,0,0|2,0,0]=4 3558 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [1,1,0,0,0,0|2,0,0]=4 3559 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [1,1,0,0,0,0|2,0,0]=4 3560 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [1,1,0,0,0,0|1,0,0]=3 3561 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [1,1,0,0,0,0|1,0,0]=3 3562 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [1,1,0,0,0,0|2,0,0]=4 3563 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [1,1,0,0,0,0|1,0,0]=3 3564 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [1,1,0,0,0,0|2,0,0]=4 3565 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [1,1,0,0,0,0|2,0,0]=4 3566 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [1,1,0,0,0,0|1,0,0]=3 3567 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [1,1,0,0,0,0|1,0,0]=3 3568 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [1,1,0,0,0,0|0,0,0]=2 3569 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [1,1,0,0,0,0|0,0,0]=2 3570 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [1,1,0,0,0,0|1,0,0]=3 3571 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [1,1,0,0,0,0|1,0,0]=3 3572 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [1,1,0,0,0,0|1,0,0]=3 3573 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [1,1,0,0,0,0|1,0,0]=3 3574 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [1,1,0,0,0,0|0,0,0]=2 3575 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [1,1,0,0,0,0|0,0,0]=2 3576 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [1,1,0,0,0,0|0,0,0]=2 3577 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [1,1,0,0,0,0|2,0,0]=4 3578 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [1,1,0,0,0,0|1,0,0]=3 3579 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [1,1,0,0,0,0|2,0,0]=4 3580 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [1,1,0,0,0,0|2,0,0]=4 3581 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [1,1,0,0,0,0|2,0,0]=4 3582 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [1,1,0,0,0,0|2,0,0]=4 3583 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [1,1,0,0,0,0|1,0,0]=3 3584 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [1,1,0,0,0,0|2,0,0]=4 3585 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [1,1,0,0,0,0|1,0,0]=3 3586 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [1,1,0,0,0,0|1,0,0]=3 3587 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [1,1,0,0,0,0|1,0,0]=3 3588 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [1,1,0,0,0,0|1,0,0]=3 3589 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [1,1,0,0,0,0|1,0,0]=3 3590 B11R1.166 Cc1ccc(c(c1)O)B(O)O 271570a_203496583355_200011068827 [1,1,0,0,0,0|1,0,1]=4 3591 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [1,1,0,0,0,0|0,0,0]=2 3592 B11R1.166 Cc1ccc(c(c1)O)N(C)C 271570a_203496583355_100012353700 [1,1,0,0,0,0|2,0,0]=4 3593 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [1,1,0,0,0,0|1,0,0]=3 3594 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [1,1,0,0,0,0|1,0,0]=3 3595 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [1,1,0,0,0,0|1,0,0]=3 3596 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [1,1,0,0,0,0|1,0,0]=3 3597 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [1,1,0,0,0,0|1,0,0]=3 3598 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [1,1,0,0,0,0|1,0,0]=3 3599 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [1,1,0,0,0,0|0,0,0]=2 3600 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [1,1,0,0,0,0|2,0,0]=4 3601 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [1,1,0,0,0,0|2,0,0]=4 3602 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [1,1,0,0,0,0|2,0,0]=4 3603 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [1,1,0,0,0,0|1,0,1]=4 3604 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [1,1,0,0,0,0|2,0,0]=4 3605 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [1,1,0,0,0,0|2,0,0]=4 3606 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [1,1,0,0,0,0|2,0,0]=4 3607 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [1,1,0,0,0,0|2,0,0]=4 3608 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [1,1,0,0,0,0|1,0,0]=3 3609 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [1,1,0,0,0,0|2,0,0]=4 3610 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [1,1,0,0,0,0|2,0,0]=4 3611 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [1,1,0,0,0,0|2,0,0]=4 3612 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [1,1,0,0,0,0|2,0,0]=4 3613 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [1,1,0,0,0,0|1,0,0]=3 3614 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [1,1,0,0,0,0|2,0,0]=4 3615 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [1,1,0,0,0,0|2,0,0]=4 3616 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [1,1,0,0,0,0|2,0,0]=4 3617 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [1,1,0,0,0,0|2,0,0]=4 3618 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [1,1,0,0,0,0|1,0,0]=3 3619 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [1,1,0,0,0,0|2,0,0]=4 3620 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [1,1,0,0,0,0|2,0,0]=4 3621 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [1,1,0,0,0,0|2,0,0]=4 3622 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [1,1,0,0,0,0|1,0,0]=3 3623 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [1,1,0,0,0,0|1,0,0]=3 3624 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [1,1,0,0,0,0|1,0,0]=3 3625 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [1,1,0,0,0,0|1,0,0]=3 3626 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [1,1,0,0,0,0|0,0,0]=2 3627 B11R1.277 C=Cc1cc(c(cc1Br)C)Br 271570a_100011290941_100012929169 [1,1,0,0,0,0|2,0,0]=4 3628 B11R1.277 C=Cc1cc(c(cc1Br)C)F 271570a_100011290941_200009814774 [1,1,0,0,0,0|2,0,0]=4 3629 B11R1.277 C=Cc1cc(c(cc1C)C)C 271570a_100011290941_100000759388 [1,1,0,0,0,0|2,0,0]=4 3630 B11R1.277 C=Cc1cc(c(cc1C)C)N 271570a_100011290941_100000703630 [1,1,0,0,0,0|2,0,0]=4 3631 B11R1.277 C=Cc1cc(c(cc1C)O)C 271570a_100011290941_100000698207 [1,1,0,0,0,0|2,0,0]=4 3632 B11R1.277 C=Cc1cc(c(cc1C)O)F 271570a_100011290941_100012355673 [1,1,0,0,0,0|2,0,0]=4 3633 B11R1.277 C=Cc1cc(c(cc1C)O)N 271570a_100011290941_200010235796 [1,1,0,0,0,0|2,0,0]=4 3634 B11R1.277 C=Cc1cc(c(cc1Cl)O)N 271570a_100011290941_100011011175 [1,1,0,0,0,0|2,0,0]=4 3635 B11R1.277 C=Cc1cc(c(cc1F)C)Br 271570a_100011290941_100011068846 [1,1,0,0,0,0|2,0,0]=4 3636 B11R1.277 C=Cc1cc(c(cc1F)C)C 271570a_100011290941_100010197417 [1,1,0,0,0,0|2,0,0]=4 3637 B11R1.277 C=Cc1cc(c(cc1F)C)F 271570a_100011290941_100011219510 [1,1,0,0,0,0|2,0,0]=4 3638 B11R1.277 C=Cc1cc(c(cc1F)C)N 271570a_100011290941_100000717900 [1,1,0,0,0,0|2,0,0]=4 3639 B11R1.277 C=Cc1cc(c(cc1F)C)O 271570a_100011290941_100014242602 [1,1,0,0,0,0|2,0,0]=4 3640 B11R1.277 C=Cc1cc(c(cc1F)O)F 271570a_100011290941_100011830439 [1,1,0,0,0,0|2,0,0]=4 3641 B11R1.277 C=Cc1cc(c(cc1F)O)N 271570a_100011290941_100012359894 [1,1,0,0,0,0|2,0,0]=4 3642 B11R1.277 C=Cc1cc(c(cc1N)C)C 271570a_100011290941_100012337760 [1,1,0,0,0,0|2,0,0]=4 3643 B11R1.277 C=Cc1cc(c(cc1N)C)F 271570a_100011290941_100010233353 [1,1,0,0,0,0|2,0,0]=4 3644 B11R1.277 C=Cc1cc(c(cc1O)C)C 271570a_100011290941_100009814663 [1,1,0,0,0,0|1,0,0]=3 3645 B11R1.277 C=Cc1cc(c(cc1O)F)F 271570a_100011290941_100009813768 [1,1,0,0,0,0|2,0,0]=4 3646 B11R1.277 CNc1cc(c(cc1O)C)Br 34a_200010235796_200000210301 [1,1,0,0,0,0|2,0,0]=4 3647 B11R1.277 CNc1cc(c(cc1O)C)Br 7a_200010235796_200000210301 [1,1,0,0,0,0|2,0,0]=4 3648 B11R1.277 CNc1cc(c(cc1O)C)C 34a_100133014134_200000210301 [1,1,0,0,0,0|2,0,0]=4 3649 B11R1.277 CNc1cc(c(cc1O)C)C 7a_100133014134_200000210301 [1,1,0,0,0,0|2,0,0]=4 3650 B11R1.277 CNc1cc(c(cc1O)C)Cl 34a_100000091707_200000210301 [1,1,0,0,0,0|2,0,0]=4 3651 B11R1.277 COc1cc(c(cc1O)C)F 271570a_203496583355_100010201977 [1,1,0,0,0,0|2,0,0]=4 3652 B11R1.277 COc1cc(c(cc1O)C)N 271570a_203496583355_100010232211 [1,1,0,0,0,0|2,0,0]=4 3653 B11R1.277 CSc1cc(c(cc1O)C)C 62a_100009814663_200000210301 [1,1,0,0,0,0|2,0,0]=4 3654 B11R1.277 CSc1cc(c(cc1O)C)C 62a_200000210301_100009814663 [1,1,0,0,0,0|2,0,0]=4 3655 B11R1.277 Cc1cc(c(cc1Br)N[13CH3])O 34a_200010235796_200025704644 [1,1,0,0,0,0|2,0,0]=4 3656 B11R1.277 Cc1cc(c(cc1Br)N[13CH3])O 7a_200010235796_200025704644 [1,1,0,0,0,0|2,0,0]=4 3657 B11R1.277 Cc1cc(c(cc1C)C=O)O 271570a_203496583355_100010184403 [1,1,0,0,0,0|0,0,0]=2 3658 B11R1.277 Cc1cc(c(cc1C)CO)O 271570a_203496583355_100010184405 [1,1,0,0,0,0|0,0,2]=4 3659 B11R1.277 Cc1cc(c(cc1C)N[13CH3])O 34a_100133014134_200025704644 [1,1,0,0,0,0|2,0,0]=4 3660 B11R1.277 Cc1cc(c(cc1C)N[13CH3])O 7a_100133014134_200025704644 [1,1,0,0,0,0|2,0,0]=4 3661 B11R1.277 Cc1cc(c(cc1C)S[13CH3])O 62a_100009814663_200025704644 [1,1,0,0,0,0|2,0,0]=4 3662 B11R1.277 Cc1cc(c(cc1C)S[13CH3])O 62a_200025704644_100009814663 [1,1,0,0,0,0|2,0,0]=4 3663 B11R1.277 Cc1cc(c(cc1C=O)F)O 271570a_203496583355_100010186292 [1,1,0,0,0,0|1,0,0]=3 3664 B11R1.277 Cc1cc(c(cc1Cl)N[13CH3])O 34a_100000091707_200025704644 [1,1,0,0,0,0|2,0,0]=4 3665 B11R1.277 Cc1cc(c(cc1F)C#N)O 271570a_203496583355_100010186300 [1,1,0,0,0,0|1,0,1]=4 3666 B11R1.277 Cc1cc(c(cc1F)C=O)O 271570a_203496583355_100010186290 [1,1,0,0,0,0|0,0,0]=2 3667 B11R1.277 Cc1cc(c(cc1F)O)C=O 271570a_203496583355_100009814814 [1,1,0,0,0,0|1,0,0]=3 3668 B11R1.277 Cc1cc(c(cc1O)C)C=O 271570a_203496583355_100012024176 [1,1,0,0,0,0|1,0,0]=3 3669 B11R1.277 Cc1cc(c(cc1O)C=O)F 271570a_203496583355_100010138641 [1,1,0,0,0,0|1,0,0]=3 3670 B11R1.277 Cc1cc(c(cc1O)C=O)O 271570a_203496583355_100010186689 [1,1,0,0,0,0|0,0,0]=2 3671 B11R1.277 Cc1cc(c(cc1O)F)C=O 271570a_203496583355_100010186291 [1,1,0,0,0,0|1,0,0]=3 3672 B11R1.277 Cc1cc(c(cc1O)O)C=O 271570a_203496583355_200010762526 [1,1,0,0,0,0|0,0,0]=2 3673 B11R1.277 N#Cc1cc(c(cc1O)O)F 271570a_203496583355_200010827376 [1,1,0,0,0,0|1,0,1]=4 3674 B11R1.277 Nc1cc(c(cc1C=O)O)F 271570a_203496583355_200010571964 [1,1,0,0,0,0|2,0,0]=4 3675 B11R1.277 O=Cc1cc(c(cc1F)F)O 271570a_203496583355_100009814802 [1,1,0,0,0,0|2,0,0]=4 3676 B11R1.277 O=Cc1cc(c(cc1F)O)F 271570a_203496583355_100011998483 [1,1,0,0,0,0|1,0,0]=3 3677 B11R1.277 O=Cc1cc(c(cc1O)F)F 271570a_203496583355_100012344232 [1,1,0,0,0,0|1,0,0]=3 3678 B11R1.277 O=Cc1cc(c(cc1O)F)O 271570a_203496583355_100010175118 [1,1,0,0,0,0|1,0,0]=3 3679 B11R1.277 O=Cc1cc(c(cc1O)O)F 271570a_203496583355_200010762562 [1,1,0,0,0,0|0,0,0]=2 3680 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_100010888506 [1,1,0,0,0,0|0,0,0]=2 3681 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_200010132312 [1,1,0,0,0,0|0,0,0]=2 3682 B11R1.278 C=Cc1ccc(c(c1C)C)O 271570a_100011290941_100012353674 [1,1,0,0,0,0|2,0,0]=4 3683 B11R1.278 C=Cc1ccc(c(c1C)N)C 271570a_100011290941_200010074581 [1,1,0,0,0,0|2,0,0]=4 3684 B11R1.278 C=Cc1ccc(c(c1C)N)O 271570a_100011290941_100013039247 [1,1,0,0,0,0|2,0,0]=4 3685 B11R1.278 C=Cc1ccc(c(c1F)C)C 271570a_100011290941_200015555822 [1,1,0,0,0,0|2,0,0]=4 3686 B11R1.278 C=Cc1ccc(c(c1F)C)O 271570a_100011290941_100010390934 [1,1,0,0,0,0|2,0,0]=4 3687 B11R1.278 C=Cc1ccc(c(c1F)F)C 271570a_100011290941_100012766498 [1,1,0,0,0,0|2,0,0]=4 3688 B11R1.278 C=Cc1ccc(c(c1F)F)O 271570a_100011290941_100011830415 [1,1,0,0,0,0|2,0,0]=4 3689 B11R1.278 C=Cc1ccc(c(c1O)C)F 271570a_100011290941_200010391124 [1,1,0,0,0,0|2,0,0]=4 3690 B11R1.278 C=Cc1ccc(c(c1O)F)C 271570a_100011290941_100000722096 [1,1,0,0,0,0|1,0,0]=3 3691 B11R1.278 C=Cc1ccc(c(c1O)F)F 271570a_100011290941_100010243909 [1,1,0,0,0,0|2,0,0]=4 3692 B11R1.278 CSc1ccc(c(c1O)F)C 62a_100000722096_200000210301 [1,1,0,0,0,0|2,0,0]=4 3693 B11R1.278 CSc1ccc(c(c1O)F)C 62a_200000210301_100000722096 [1,1,0,0,0,0|2,0,0]=4 3694 B11R1.278 Cc1c(ccc(c1F)C=O)O 271570a_203496583355_100015546853 [1,1,0,0,0,0|1,0,0]=3 3695 B11R1.278 Cc1c(ccc(c1O)C=O)F 271570a_203496583355_100009872231 [1,1,0,0,0,0|1,0,0]=3 3696 B11R1.278 Cc1ccc(c(c1F)O)S[13CH3] 62a_100000722096_200025704644 [1,1,0,0,0,0|2,0,0]=4 3697 B11R1.278 Cc1ccc(c(c1F)O)S[13CH3] 62a_200025704644_100000722096 [1,1,0,0,0,0|2,0,0]=4 3698 B11R1.278 O=Cc1ccc(c(c1F)F)O 271570a_203496583355_100010209662 [1,1,0,0,0,0|1,0,0]=3 3699 B11R1.278 O=Cc1ccc(c(c1F)O)F 271570a_203496583355_100000050342 [1,1,0,0,0,0|2,0,0]=4 3700 B11R1.278 O=Cc1ccc(c(c1O)F)F 271570a_203496583355_100015087033 [1,1,0,0,0,0|1,0,0]=3 3701 B11R1.278 O=Cc1ccc(c(c1O)F)O 271570a_203496583355_100010762540 [1,1,0,0,0,0|0,0,0]=2 3702 B11R1.464 C=Cc1c(cc(cc1Br)C)Br 271570a_100011290941_200011219743 [1,1,0,0,0,0|2,0,0]=4 3703 B11R1.464 C=Cc1c(cc(cc1Br)C)C 271570a_100011290941_200012353697 [1,1,0,0,0,0|2,0,0]=4 3704 B11R1.464 C=Cc1c(cc(cc1Br)C)F 271570a_100011290941_100010208195 [1,1,0,0,0,0|2,0,0]=4 3705 B11R1.464 C=Cc1c(cc(cc1C)C)C 271570a_100011290941_100011204320 [1,1,0,0,0,0|2,0,0]=4 3706 B11R1.464 C=Cc1c(cc(cc1C)O)C 271570a_100011290941_100000243743 [1,1,0,0,0,0|2,0,0]=4 3707 B11R1.464 C=Cc1c(cc(cc1F)C)F 271570a_100011290941_100015306127 [1,1,0,0,0,0|2,0,0]=4 3708 B11R1.464 C=Cc1c(cc(cc1F)C)N 271570a_100011290941_100021129147 [1,1,0,0,0,0|2,0,0]=4 3709 B11R1.464 C=Cc1c(cc(cc1F)F)O 271570a_100011290941_100009815984 [1,1,0,0,0,0|2,0,0]=4 3710 B11R1.464 C=Cc1c(cc(cc1F)O)F 271570a_100011290941_100010219129 [1,1,0,0,0,0|2,0,0]=4 3711 B11R1.464 C=Cc1c(cc(cc1O)C)C 271570a_100011290941_100010342985 [1,1,0,0,0,0|1,0,0]=3 3712 B11R1.464 C=Cc1c(cc(cc1O)Cl)C 271570a_100011290941_100010254216 [1,1,0,0,0,0|2,0,0]=4 3713 B11R1.464 C=Cc1c(cc(cc1O)O)O 271570a_100011290941_200010341185 [1,1,0,0,0,0|1,0,0]=3 3714 B11R1.464 CNc1c(cc(cc1Cl)C)O 34a_100015906060_200000210301 [1,1,0,0,0,0|2,0,0]=4 3715 B11R1.464 COc1c(cc(cc1F)C)O 271570a_203496583355_200010713180 [1,1,0,0,0,0|2,0,0]=4 3716 B11R1.464 CSc1c(cc(cc1F)C)O 271570a_203496583355_202125771776 [1,1,0,0,0,0|2,0,0]=4 3717 B11R1.464 CSc1c(cc(cc1O)C)C 62a_100010342985_200000210301 [1,1,0,0,0,0|2,0,0]=4 3718 B11R1.464 CSc1c(cc(cc1O)C)C 62a_200000210301_100010342985 [1,1,0,0,0,0|2,0,0]=4 3719 B11R1.464 CSc1c(cc(cc1O)O)O 62a_200000210301_200010341185 [1,1,0,0,0,0|2,0,0]=4 3720 B11R1.464 Cc1cc(c(c(c1)Cl)N[13CH3])O 34a_100015906060_200025704644 [1,1,0,0,0,0|2,0,0]=4 3721 B11R1.464 Cc1cc(c(c(c1)F)C#N)O 271570a_203496583355_100016215262 [1,1,0,0,0,0|1,0,1]=4 3722 B11R1.464 Cc1cc(c(c(c1)F)C=O)O 271570a_203496583355_100010341274 [1,1,0,0,0,0|0,0,0]=2 3723 B11R1.464 Cc1cc(c(c(c1)F)CO)O 271570a_203496583355_100016175008 [1,1,0,0,0,0|0,0,2]=4 3724 B11R1.464 Cc1cc(c(c(c1)O)S[13CH3])C 62a_100010342985_200025704644 [1,1,0,0,0,0|2,0,0]=4 3725 B11R1.464 Cc1cc(c(c(c1)O)S[13CH3])C 62a_200025704644_100010342985 [1,1,0,0,0,0|2,0,0]=4 3726 B11R1.464 Cc1cc(cc(c1C=O)C)O 271570a_203496583355_100010238521 [1,1,0,0,0,0|1,0,0]=3 3727 B11R1.464 Cc1cc(cc(c1C=O)O)F 271570a_203496583355_200015781908 [1,1,0,0,0,0|1,0,0]=3 3728 B11R1.464 N#Cc1c(cc(cc1F)O)O 271570a_203496583355_200011156622 [1,1,0,0,0,0|1,0,1]=4 3729 B11R1.464 O=Cc1c(cc(cc1Cl)O)Cl 271570a_203496583355_200011001975 [1,1,0,0,0,0|1,0,0]=3 3730 B11R1.464 O=Cc1c(cc(cc1F)F)O 271570a_203496583355_100010009843 [1,1,0,0,0,0|1,0,0]=3 3731 B11R1.464 O=Cc1c(cc(cc1F)O)F 271570a_203496583355_100000036707 [1,1,0,0,0,0|1,0,0]=3 3732 B11R1.464 O=Cc1c(cc(cc1F)O)O 271570a_203496583355_100010762571 [1,1,0,0,0,0|0,0,0]=2 3733 B11R1.464 O=Cc1c(cc(nc1F)F)O 271570a_203496583355_106446549130 [1,1,0,0,0,0|2,0,0]=4 3734 B11R1.464 [13CH3]Sc1c(cc(cc1O)O)O 62a_200025704644_200010341185 [1,1,0,0,0,0|2,0,0]=4 3735 B11R1.14 CNc1cc(c(c(c1)Cl)Cl)O 34a_100015839415_200000210301 [1,1,0,0,0,0|2,0,0]=4 3736 B11R1.14 CNc1cc(c(c(c1)Cl)Cl)O 7a_100015839415_200000210301 [1,1,0,0,0,0|2,0,0]=4 3737 B11R1.14 COc1cc(c(c(c1)Br)C)Br 34a_100009813510_200000210301 [1,1,0,0,0,0|1,0,1]=4 3738 B11R1.14 COc1cc(c(c(c1)Br)C)Br 7a_100009813510_200000210301 [1,1,0,0,0,0|1,0,1]=4 3739 B11R1.14 COc1cc(c(c(c1)Br)C)C 34a_100010068915_200000210301 [1,1,0,0,0,0|1,0,1]=4 3740 B11R1.14 COc1cc(c(c(c1)Br)C)C 7a_100010068915_200000210301 [1,1,0,0,0,0|1,0,1]=4 3741 B11R1.14 COc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_200000210301 [1,1,0,0,0,0|2,0,0]=4 3742 B11R1.14 COc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_200000210301 [1,1,0,0,0,0|2,0,0]=4 3743 B11R1.14 COc1cc(c(c(c1)Br)F)Cl 34a_200011105948_200000210301 [1,1,0,0,0,0|2,0,0]=4 3744 B11R1.14 COc1cc(c(c(c1)Br)F)Cl 7a_200011105948_200000210301 [1,1,0,0,0,0|2,0,0]=4 3745 B11R1.14 COc1cc(c(c(c1)Br)N)Br 34a_200010887395_200000210301 [1,1,0,0,0,0|2,0,0]=4 3746 B11R1.14 COc1cc(c(c(c1)Br)N)Br 7a_200010887395_200000210301 [1,1,0,0,0,0|2,0,0]=4 3747 B11R1.14 COc1cc(c(c(c1)C)Br)C 34a_100000243743_200000210301 [1,1,0,0,0,0|2,0,0]=4 3748 B11R1.14 COc1cc(c(c(c1)C)Br)C 7a_100000243743_200000210301 [1,1,0,0,0,0|2,0,0]=4 3749 B11R1.14 COc1cc(c(c(c1)C)C)C 34a_200000042890_200000210301 [1,1,0,0,0,0|1,0,1]=4 3750 B11R1.14 COc1cc(c(c(c1)C)C)C 7a_200000042890_200000210301 [1,1,0,0,0,0|1,0,1]=4 3751 B11R1.14 COc1cc(c(c(c1)C)Cl)C 34a_100000739557_200000210301 [1,1,0,0,0,0|2,0,0]=4 3752 B11R1.14 COc1cc(c(c(c1)C)Cl)C 7a_100000739557_200000210301 [1,1,0,0,0,0|2,0,0]=4 3753 B11R1.14 COc1cc(c(c(c1)C)I)C 34a_100011216239_200000210301 [1,1,0,0,0,0|2,0,0]=4 3754 B11R1.14 COc1cc(c(c(c1)C)I)C 7a_100011216239_200000210301 [1,1,0,0,0,0|2,0,0]=4 3755 B11R1.14 COc1cc(c(c(c1)C)N)C 34a_100011934200_200000210301 [1,1,0,0,0,0|2,0,0]=4 3756 B11R1.14 COc1cc(c(c(c1)C)N)C 7a_100011934200_200000210301 [1,1,0,0,0,0|2,0,0]=4 3757 B11R1.14 COc1cc(c(c(c1)C)O)C 271570a_203496583355_100012160682 [1,1,0,0,0,0|1,0,1]=4 3758 B11R1.14 COc1cc(c(c(c1)Cl)Br)Cl 34a_100009888979_200000210301 [1,1,0,0,0,0|2,0,0]=4 3759 B11R1.14 COc1cc(c(c(c1)Cl)Br)Cl 7a_100009888979_200000210301 [1,1,0,0,0,0|2,0,0]=4 3760 B11R1.14 COc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_200000210301 [1,1,0,0,0,0|2,0,0]=4 3761 B11R1.14 COc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_200000210301 [1,1,0,0,0,0|2,0,0]=4 3762 B11R1.14 COc1cc(c(c(c1)Cl)F)Cl 34a_100012242831_200000210301 [1,1,0,0,0,0|2,0,0]=4 3763 B11R1.14 COc1cc(c(c(c1)Cl)F)Cl 7a_100012242831_200000210301 [1,1,0,0,0,0|2,0,0]=4 3764 B11R1.14 COc1cc(c(c(c1)F)Br)F 34a_100009816007_200000210301 [1,1,0,0,0,0|2,0,0]=4 3765 B11R1.14 COc1cc(c(c(c1)F)Br)F 7a_100009816007_200000210301 [1,1,0,0,0,0|2,0,0]=4 3766 B11R1.14 COc1cc(c(c(c1)F)Cl)F 34a_100000117300_200000210301 [1,1,0,0,0,0|2,0,0]=4 3767 B11R1.14 COc1cc(c(c(c1)F)Cl)F 7a_100000117300_200000210301 [1,1,0,0,0,0|2,0,0]=4 3768 B11R1.14 COc1cc(c(c(c1)F)F)F 34a_100000237451_200000210301 [1,1,0,0,0,0|2,0,0]=4 3769 B11R1.14 COc1cc(c(c(c1)F)F)F 7a_100000237451_200000210301 [1,1,0,0,0,0|2,0,0]=4 3770 B11R1.14 COc1cc(c(c(c1)F)I)F 34a_100010219129_200000210301 [1,1,0,0,0,0|2,0,0]=4 3771 B11R1.14 COc1cc(c(c(c1)F)I)F 7a_100010219129_200000210301 [1,1,0,0,0,0|2,0,0]=4 3772 B11R1.14 COc1cc(c(c(c1)F)N)F 34a_100000036573_200000210301 [1,1,0,0,0,0|2,0,0]=4 3773 B11R1.14 COc1cc(c(c(c1)F)N)F 7a_100000036573_200000210301 [1,1,0,0,0,0|2,0,0]=4 3774 B11R1.14 COc1cc(c(c(c1)F)O)F 271570a_203496583355_100011218311 [1,1,0,0,0,0|1,0,1]=4 3775 B11R1.14 COc1cc(c(c(c1)O)N)C 271570a_203496583355_200011010636 [1,1,0,0,0,0|1,0,0]=3 3776 B11R1.14 COc1cc(c(c(c1)O)N)N 271570a_203496583355_100010194281 [1,1,0,0,0,0|1,0,0]=3 3777 B11R1.14 COc1cc(c(c(c1)O)O)N 271570a_203496583355_200010008348 [1,1,0,0,0,0|0,0,1]=3 3778 B11R1.14 CSc1cc(c(c(c1)F)F)O 62a_100000709865_200000210301 [1,1,0,0,0,0|1,1,0]=4 3779 B11R1.14 CSc1cc(c(c(c1)F)F)O 62a_200000210301_100000709865 [1,1,0,0,0,0|1,1,0]=4 3780 B11R1.14 CSc1cc(c(c(c1)F)N)O 62a_100015475841_200000210301 [1,1,0,0,0,0|1,1,0]=4 3781 B11R1.14 CSc1cc(c(c(c1)F)N)O 62a_200000210301_100015475841 [1,1,0,0,0,0|1,1,0]=4 3782 B11R1.14 CSc1cc(c(c(c1)F)O)O 62a_200000210301_100010114375 [1,1,0,0,0,0|0,1,1]=4 3783 B11R1.14 CSc1cc(c(c(c1)O)N)C 62a_100010371313_200000210301 [1,1,0,0,0,0|1,1,0]=4 3784 B11R1.14 CSc1cc(c(c(c1)O)N)C 62a_200000210301_100010371313 [1,1,0,0,0,0|1,1,0]=4 3785 B11R1.14 CSc1cc(c(c(c1)O)O)O 62a_200000210301_100010658518 [1,1,0,0,0,0|0,1,1]=4 3786 B11R1.14 Cc1c(cc(cc1Br)O[13CH3])Br 34a_100009813510_200025704644 [1,1,0,0,0,0|1,0,1]=4 3787 B11R1.14 Cc1c(cc(cc1Br)O[13CH3])Br 7a_100009813510_200025704644 [1,1,0,0,0,0|1,0,1]=4 3788 B11R1.14 Cc1cc(cc(c1Br)C)O[13CH3] 34a_100000243743_200025704644 [1,1,0,0,0,0|2,0,0]=4 3789 B11R1.14 Cc1cc(cc(c1Br)C)O[13CH3] 7a_100000243743_200025704644 [1,1,0,0,0,0|2,0,0]=4 3790 B11R1.14 Cc1cc(cc(c1C)Br)O[13CH3] 34a_100010068915_200025704644 [1,1,0,0,0,0|1,0,1]=4 3791 B11R1.14 Cc1cc(cc(c1C)Br)O[13CH3] 7a_100010068915_200025704644 [1,1,0,0,0,0|1,0,1]=4 3792 B11R1.14 Cc1cc(cc(c1C)C)O[13CH3] 34a_200000042890_200025704644 [1,1,0,0,0,0|1,0,1]=4 3793 B11R1.14 Cc1cc(cc(c1C)C)O[13CH3] 7a_200000042890_200025704644 [1,1,0,0,0,0|1,0,1]=4 3794 B11R1.14 Cc1cc(cc(c1Cl)C)O[13CH3] 34a_100000739557_200025704644 [1,1,0,0,0,0|2,0,0]=4 3795 B11R1.14 Cc1cc(cc(c1Cl)C)O[13CH3] 7a_100000739557_200025704644 [1,1,0,0,0,0|2,0,0]=4 3796 B11R1.14 Cc1cc(cc(c1I)C)O[13CH3] 34a_100011216239_200025704644 [1,1,0,0,0,0|2,0,0]=4 3797 B11R1.14 Cc1cc(cc(c1I)C)O[13CH3] 7a_100011216239_200025704644 [1,1,0,0,0,0|2,0,0]=4 3798 B11R1.14 Cc1cc(cc(c1N)C)O[13CH3] 34a_100011934200_200025704644 [1,1,0,0,0,0|2,0,0]=4 3799 B11R1.14 Cc1cc(cc(c1N)C)O[13CH3] 7a_100011934200_200025704644 [1,1,0,0,0,0|2,0,0]=4 3800 B11R1.14 Cc1cc(cc(c1N)O)S[13CH3] 62a_100010371313_200025704644 [1,1,0,0,0,0|1,1,0]=4 3801 B11R1.14 Cc1cc(cc(c1N)O)S[13CH3] 62a_200025704644_100010371313 [1,1,0,0,0,0|1,1,0]=4 3802 B11R1.14 [13CH3]Nc1cc(c(c(c1)Cl)Cl)O 34a_100015839415_200025704644 [1,1,0,0,0,0|2,0,0]=4 3803 B11R1.14 [13CH3]Nc1cc(c(c(c1)Cl)Cl)O 7a_100015839415_200025704644 [1,1,0,0,0,0|2,0,0]=4 3804 B11R1.14 [13CH3]Oc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_200025704644 [1,1,0,0,0,0|2,0,0]=4 3805 B11R1.14 [13CH3]Oc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_200025704644 [1,1,0,0,0,0|2,0,0]=4 3806 B11R1.14 [13CH3]Oc1cc(c(c(c1)Br)F)Cl 34a_200011105948_200025704644 [1,1,0,0,0,0|2,0,0]=4 3807 B11R1.14 [13CH3]Oc1cc(c(c(c1)Br)F)Cl 7a_200011105948_200025704644 [1,1,0,0,0,0|2,0,0]=4 3808 B11R1.14 [13CH3]Oc1cc(c(c(c1)Br)N)Br 34a_200010887395_200025704644 [1,1,0,0,0,0|2,0,0]=4 3809 B11R1.14 [13CH3]Oc1cc(c(c(c1)Br)N)Br 7a_200010887395_200025704644 [1,1,0,0,0,0|2,0,0]=4 3810 B11R1.14 [13CH3]Oc1cc(c(c(c1)Cl)Br)Cl 34a_100009888979_200025704644 [1,1,0,0,0,0|2,0,0]=4 3811 B11R1.14 [13CH3]Oc1cc(c(c(c1)Cl)Br)Cl 7a_100009888979_200025704644 [1,1,0,0,0,0|2,0,0]=4 3812 B11R1.14 [13CH3]Oc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_200025704644 [1,1,0,0,0,0|2,0,0]=4 3813 B11R1.14 [13CH3]Oc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_200025704644 [1,1,0,0,0,0|2,0,0]=4 3814 B11R1.14 [13CH3]Oc1cc(c(c(c1)Cl)F)Cl 34a_100012242831_200025704644 [1,1,0,0,0,0|2,0,0]=4 3815 B11R1.14 [13CH3]Oc1cc(c(c(c1)Cl)F)Cl 7a_100012242831_200025704644 [1,1,0,0,0,0|2,0,0]=4 3816 B11R1.14 [13CH3]Oc1cc(c(c(c1)F)Br)F 34a_100009816007_200025704644 [1,1,0,0,0,0|2,0,0]=4 3817 B11R1.14 [13CH3]Oc1cc(c(c(c1)F)Br)F 7a_100009816007_200025704644 [1,1,0,0,0,0|2,0,0]=4 3818 B11R1.14 [13CH3]Oc1cc(c(c(c1)F)Cl)F 34a_100000117300_200025704644 [1,1,0,0,0,0|2,0,0]=4 3819 B11R1.14 [13CH3]Oc1cc(c(c(c1)F)Cl)F 7a_100000117300_200025704644 [1,1,0,0,0,0|2,0,0]=4 3820 B11R1.14 [13CH3]Oc1cc(c(c(c1)F)F)F 34a_100000237451_200025704644 [1,1,0,0,0,0|2,0,0]=4 3821 B11R1.14 [13CH3]Oc1cc(c(c(c1)F)F)F 7a_100000237451_200025704644 [1,1,0,0,0,0|2,0,0]=4 3822 B11R1.14 [13CH3]Oc1cc(c(c(c1)F)I)F 34a_100010219129_200025704644 [1,1,0,0,0,0|2,0,0]=4 3823 B11R1.14 [13CH3]Oc1cc(c(c(c1)F)I)F 7a_100010219129_200025704644 [1,1,0,0,0,0|2,0,0]=4 3824 B11R1.14 [13CH3]Oc1cc(c(c(c1)F)N)F 34a_100000036573_200025704644 [1,1,0,0,0,0|2,0,0]=4 3825 B11R1.14 [13CH3]Oc1cc(c(c(c1)F)N)F 7a_100000036573_200025704644 [1,1,0,0,0,0|2,0,0]=4 3826 B11R1.14 [13CH3]Sc1cc(c(c(c1)F)F)O 62a_100000709865_200025704644 [1,1,0,0,0,0|1,1,0]=4 3827 B11R1.14 [13CH3]Sc1cc(c(c(c1)F)F)O 62a_200025704644_100000709865 [1,1,0,0,0,0|1,1,0]=4 3828 B11R1.14 [13CH3]Sc1cc(c(c(c1)F)N)O 62a_100015475841_200025704644 [1,1,0,0,0,0|1,1,0]=4 3829 B11R1.14 [13CH3]Sc1cc(c(c(c1)F)N)O 62a_200025704644_100015475841 [1,1,0,0,0,0|1,1,0]=4 3830 B11R1.14 [13CH3]Sc1cc(c(c(c1)F)O)O 62a_200025704644_100010114375 [1,1,0,0,0,0|0,1,1]=4 3831 B11R1.14 [13CH3]Sc1cc(c(c(c1)O)O)O 62a_200025704644_100010658518 [1,1,0,0,0,0|0,1,1]=4 3832 B11R1.21 C=C(C)c1c[nH]c(=O)c(c1)O 271570a_100000694244_100009814561 [1,1,0,0,0,0|2,0,0]=4 3833 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [1,1,0,0,0,0|2,0,0]=4 3834 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [1,1,0,0,0,0|1,0,1]=4 3835 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [1,1,0,0,0,0|2,0,0]=4 3836 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [1,1,0,0,0,0|2,0,0]=4 3837 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [1,1,0,0,0,0|2,0,0]=4 3838 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [1,1,0,0,0,0|1,0,1]=4 3839 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [1,1,0,0,0,0|2,0,0]=4 3840 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [1,1,0,0,0,0|2,0,0]=4 3841 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [1,1,0,0,0,0|1,0,1]=4 3842 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [1,1,0,0,0,0|1,0,1]=4 3843 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [1,1,0,0,0,0|2,0,0]=4 3844 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [1,1,0,0,0,0|2,0,0]=4 3845 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [1,1,0,0,0,0|2,0,0]=4 3846 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [1,1,0,0,0,0|2,0,0]=4 3847 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [1,1,0,0,0,0|2,0,0]=4 3848 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,1,0,0,0,0|1,0,1]=4 3849 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,1,0,0,0,0|1,0,1]=4 3850 B11R1.21 CC(C)c1ccc(c(c1)O)N 271570a_203496583355_100011218581 [1,1,0,0,0,0|2,0,0]=4 3851 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [1,1,0,0,0,0|2,0,0]=4 3852 B11R1.21 CN(C)c1ccc(c(c1)O)N 271570a_203496583355_200013039233 [1,1,0,0,0,0|2,0,0]=4 3853 B11R1.21 C[C@H](N)c1ccc(c(c1)O)F 271570a_203496583355_100000753309 [1,1,0,0,0,0|2,0,0]=4 3854 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [1,1,0,0,0,0|1,0,1]=4 3855 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [1,1,0,0,0,0|2,0,0]=4 3856 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [1,1,0,0,0,0|2,0,0]=4 3857 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [1,1,0,0,0,0|2,0,0]=4 3858 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [1,1,0,0,0,0|2,0,0]=4 3859 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,1,0,0,0,0|1,0,1]=4 3860 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)O 271570a_100016259895_100009814561 [1,1,0,0,0,0|2,0,0]=4 3861 B11R1.192 CC=Cc1ccc(c(c1)O)Br 271570a_100016259895_100012356990 [1,1,0,0,0,0|2,0,0]=4 3862 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [1,1,0,0,0,0|1,0,1]=4 3863 B11R1.192 CC=Cc1ccc(c(c1)O)Cl 271570a_100016259895_100011356854 [1,1,0,0,0,0|2,0,0]=4 3864 B11R1.192 CC=Cc1ccc(c(c1)O)F 271570a_100016259895_100000686035 [1,1,0,0,0,0|2,0,0]=4 3865 B11R1.192 CC=Cc1ccc(c(c1)O)N 271570a_100016259895_100000739049 [1,1,0,0,0,0|2,0,0]=4 3866 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [1,1,0,0,0,0|1,0,1]=4 3867 B11R1.192 CCNc1ccc(c(c1)O)C 34a_100000759471_100000210202 [1,1,0,0,0,0|1,0,1]=4 3868 B11R1.192 CCNc1ccc(c(c1)O)C 7a_100000759471_100000210202 [1,1,0,0,0,0|1,0,1]=4 3869 B11R1.192 CCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210202 [1,1,0,0,0,0|2,0,0]=4 3870 B11R1.192 CCNc1ccc(c(c1)O)F 34a_100012017398_100000210202 [1,1,0,0,0,0|2,0,0]=4 3871 B11R1.192 CCNc1ccc(c(c1)O)F 7a_100012017398_100000210202 [1,1,0,0,0,0|2,0,0]=4 3872 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [1,1,0,0,0,0|1,0,1]=4 3873 B11R1.192 CCOc1ccc(c(c1)Br)C 34a_100011380479_100000210202 [1,1,0,0,0,0|1,0,1]=4 3874 B11R1.192 CCOc1ccc(c(c1)Br)C 7a_100011380479_100000210202 [1,1,0,0,0,0|1,0,1]=4 3875 B11R1.192 CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000210202 [1,1,0,0,0,0|2,0,0]=4 3876 B11R1.192 CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000210202 [1,1,0,0,0,0|2,0,0]=4 3877 B11R1.192 CCOc1ccc(c(c1)Br)F 34a_100000693481_100000210202 [1,1,0,0,0,0|2,0,0]=4 3878 B11R1.192 CCOc1ccc(c(c1)Br)F 7a_100000693481_100000210202 [1,1,0,0,0,0|2,0,0]=4 3879 B11R1.192 CCOc1ccc(c(c1)Br)I 34a_100000701344_100000210202 [1,1,0,0,0,0|2,0,0]=4 3880 B11R1.192 CCOc1ccc(c(c1)Br)I 7a_100000701344_100000210202 [1,1,0,0,0,0|2,0,0]=4 3881 B11R1.192 CCOc1ccc(c(c1)Br)N 34a_100012001276_100000210202 [1,1,0,0,0,0|2,0,0]=4 3882 B11R1.192 CCOc1ccc(c(c1)Br)N 7a_100012001276_100000210202 [1,1,0,0,0,0|2,0,0]=4 3883 B11R1.192 CCOc1ccc(c(c1)C)Br 34a_100000690111_100000210202 [1,1,0,0,0,0|2,0,0]=4 3884 B11R1.192 CCOc1ccc(c(c1)C)Br 7a_100000690111_100000210202 [1,1,0,0,0,0|2,0,0]=4 3885 B11R1.192 CCOc1ccc(c(c1)C)C 34a_100000210932_100000210202 [1,1,0,0,0,0|1,0,1]=4 3886 B11R1.192 CCOc1ccc(c(c1)C)C 7a_100000210932_100000210202 [1,1,0,0,0,0|1,0,1]=4 3887 B11R1.192 CCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210202 [1,1,0,0,0,0|2,0,0]=4 3888 B11R1.192 CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210202 [1,1,0,0,0,0|2,0,0]=4 3889 B11R1.192 CCOc1ccc(c(c1)C)F 34a_100000751312_100000210202 [1,1,0,0,0,0|2,0,0]=4 3890 B11R1.192 CCOc1ccc(c(c1)C)F 7a_100000751312_100000210202 [1,1,0,0,0,0|2,0,0]=4 3891 B11R1.192 CCOc1ccc(c(c1)C)I 34a_100000729255_100000210202 [1,1,0,0,0,0|2,0,0]=4 3892 B11R1.192 CCOc1ccc(c(c1)C)I 7a_100000729255_100000210202 [1,1,0,0,0,0|2,0,0]=4 3893 B11R1.192 CCOc1ccc(c(c1)C)N 34a_100000756630_100000210202 [1,1,0,0,0,0|2,0,0]=4 3894 B11R1.192 CCOc1ccc(c(c1)C)N 7a_100000756630_100000210202 [1,1,0,0,0,0|2,0,0]=4 3895 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [1,1,0,0,0,0|1,0,1]=4 3896 B11R1.192 CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000210202 [1,1,0,0,0,0|2,0,0]=4 3897 B11R1.192 CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000210202 [1,1,0,0,0,0|2,0,0]=4 3898 B11R1.192 CCOc1ccc(c(c1)Cl)C 34a_100011265682_100000210202 [1,1,0,0,0,0|1,0,1]=4 3899 B11R1.192 CCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210202 [1,1,0,0,0,0|1,0,1]=4 3900 B11R1.192 CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210202 [1,1,0,0,0,0|2,0,0]=4 3901 B11R1.192 CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210202 [1,1,0,0,0,0|2,0,0]=4 3902 B11R1.192 CCOc1ccc(c(c1)Cl)F 34a_100000211030_100000210202 [1,1,0,0,0,0|2,0,0]=4 3903 B11R1.192 CCOc1ccc(c(c1)Cl)F 7a_100000211030_100000210202 [1,1,0,0,0,0|2,0,0]=4 3904 B11R1.192 CCOc1ccc(c(c1)Cl)I 34a_100000047559_100000210202 [1,1,0,0,0,0|2,0,0]=4 3905 B11R1.192 CCOc1ccc(c(c1)Cl)I 7a_100000047559_100000210202 [1,1,0,0,0,0|2,0,0]=4 3906 B11R1.192 CCOc1ccc(c(c1)Cl)N 34a_100011215599_100000210202 [1,1,0,0,0,0|2,0,0]=4 3907 B11R1.192 CCOc1ccc(c(c1)Cl)N 7a_100011215599_100000210202 [1,1,0,0,0,0|2,0,0]=4 3908 B11R1.192 CCOc1ccc(c(c1)F)Br 34a_100000755031_100000210202 [1,1,0,0,0,0|2,0,0]=4 3909 B11R1.192 CCOc1ccc(c(c1)F)Br 7a_100000755031_100000210202 [1,1,0,0,0,0|2,0,0]=4 3910 B11R1.192 CCOc1ccc(c(c1)F)C 34a_100000722560_100000210202 [1,1,0,0,0,0|1,0,1]=4 3911 B11R1.192 CCOc1ccc(c(c1)F)C 7a_100000722560_100000210202 [1,1,0,0,0,0|1,0,1]=4 3912 B11R1.192 CCOc1ccc(c(c1)F)Cl 34a_100000691581_100000210202 [1,1,0,0,0,0|2,0,0]=4 3913 B11R1.192 CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000210202 [1,1,0,0,0,0|2,0,0]=4 3914 B11R1.192 CCOc1ccc(c(c1)F)F 34a_100000181275_100000210202 [1,1,0,0,0,0|2,0,0]=4 3915 B11R1.192 CCOc1ccc(c(c1)F)F 7a_100000181275_100000210202 [1,1,0,0,0,0|2,0,0]=4 3916 B11R1.192 CCOc1ccc(c(c1)F)I 34a_100009990212_100000210202 [1,1,0,0,0,0|2,0,0]=4 3917 B11R1.192 CCOc1ccc(c(c1)F)I 7a_100009990212_100000210202 [1,1,0,0,0,0|2,0,0]=4 3918 B11R1.192 CCOc1ccc(c(c1)F)N 34a_100000759473_100000210202 [1,1,0,0,0,0|2,0,0]=4 3919 B11R1.192 CCOc1ccc(c(c1)F)N 7a_100000759473_100000210202 [1,1,0,0,0,0|2,0,0]=4 3920 B11R1.192 CCOc1ccc(c(c1)F)O 271570a_203496583355_100000692347 [1,1,0,0,0,0|1,0,1]=4 3921 B11R1.192 CCOc1ccc(c(c1)I)Br 34a_100012339312_100000210202 [1,1,0,0,0,0|2,0,0]=4 3922 B11R1.192 CCOc1ccc(c(c1)I)Br 7a_100012339312_100000210202 [1,1,0,0,0,0|2,0,0]=4 3923 B11R1.192 CCOc1ccc(c(c1)I)Cl 34a_100000049588_100000210202 [1,1,0,0,0,0|2,0,0]=4 3924 B11R1.192 CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000210202 [1,1,0,0,0,0|2,0,0]=4 3925 B11R1.192 CCOc1ccc(c(c1)I)N 34a_100010084370_100000210202 [1,1,0,0,0,0|2,0,0]=4 3926 B11R1.192 CCOc1ccc(c(c1)I)N 7a_100010084370_100000210202 [1,1,0,0,0,0|2,0,0]=4 3927 B11R1.192 CCOc1ccc(c(c1)N)Br 34a_100011999798_100000210202 [1,1,0,0,0,0|2,0,0]=4 3928 B11R1.192 CCOc1ccc(c(c1)N)Br 7a_100011999798_100000210202 [1,1,0,0,0,0|2,0,0]=4 3929 B11R1.192 CCOc1ccc(c(c1)N)C 34a_100011216113_100000210202 [1,1,0,0,0,0|1,0,1]=4 3930 B11R1.192 CCOc1ccc(c(c1)N)C 7a_100011216113_100000210202 [1,1,0,0,0,0|1,0,1]=4 3931 B11R1.192 CCOc1ccc(c(c1)N)Cl 34a_100011934297_100000210202 [1,1,0,0,0,0|2,0,0]=4 3932 B11R1.192 CCOc1ccc(c(c1)N)F 34a_100012017239_100000210202 [1,1,0,0,0,0|2,0,0]=4 3933 B11R1.192 CCOc1ccc(c(c1)N)F 7a_100012017239_100000210202 [1,1,0,0,0,0|2,0,0]=4 3934 B11R1.192 CCOc1ccc(c(c1)N)N 34a_100025771000_100000210202 [1,1,0,0,0,0|2,0,0]=4 3935 B11R1.192 CCOc1ccc(c(c1)O)C 271570a_203496583355_100011099959 [1,1,0,0,0,0|0,0,1]=3 3936 B11R1.192 CCSc1c[nH]c(=O)c(c1)O 62a_100000210202_100009814561 [1,1,0,0,0,0|1,1,0]=4 3937 B11R1.192 CCSc1ccc(c(c1)O)Br 62a_100000210202_100012356990 [1,1,0,0,0,0|1,1,0]=4 3938 B11R1.192 CCSc1ccc(c(c1)O)Br 62a_100012356990_100000210202 [1,1,0,0,0,0|1,1,0]=4 3939 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000210202_100000685420 [1,1,0,0,0,0|0,1,1]=4 3940 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000685420_100000210202 [1,1,0,0,0,0|0,1,1]=4 3941 B11R1.192 CCSc1ccc(c(c1)O)Cl 62a_100000210202_100011356854 [1,1,0,0,0,0|1,1,0]=4 3942 B11R1.192 CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210202 [1,1,0,0,0,0|1,1,0]=4 3943 B11R1.192 CCSc1ccc(c(c1)O)F 62a_100000210202_100000686035 [1,1,0,0,0,0|1,1,0]=4 3944 B11R1.192 CCSc1ccc(c(c1)O)F 62a_100000686035_100000210202 [1,1,0,0,0,0|1,1,0]=4 3945 B11R1.192 CCSc1ccc(c(c1)O)N 62a_100000210202_100000739049 [1,1,0,0,0,0|1,1,0]=4 3946 B11R1.192 CCSc1ccc(c(c1)O)N 62a_100000739049_100000210202 [1,1,0,0,0,0|1,1,0]=4 3947 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [1,1,0,0,0,0|0,1,1]=4 3948 B11R1.192 CNCc1ccc(c(c1)O)Cl 34a_100020636435_200000210301 [1,1,0,0,0,0|2,0,0]=4 3949 B11R1.192 CNCc1ccc(c(c1)O)F 34a_100160469508_200000210301 [1,1,0,0,0,0|2,0,0]=4 3950 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [1,1,0,0,0,0|1,0,1]=4 3951 B11R1.192 COCc1ccc(c(c1)Br)Br 34a_100138415774_100012353900 [1,1,0,0,0,0|2,0,0]=4 3952 B11R1.192 COCc1ccc(c(c1)Br)C 34a_100000708995_200000210301 [1,1,0,0,0,0|1,0,1]=4 3953 B11R1.192 COCc1ccc(c(c1)Br)C 34a_100138415774_100012232412 [1,1,0,0,0,0|1,0,1]=4 3954 B11R1.192 COCc1ccc(c(c1)Br)C 7a_100000708995_200000210301 [1,1,0,0,0,0|1,0,1]=4 3955 B11R1.192 COCc1ccc(c(c1)Br)Cl 34a_100012353893_200000210301 [1,1,0,0,0,0|2,0,0]=4 3956 B11R1.192 COCc1ccc(c(c1)Br)Cl 34a_100138415774_100012353894 [1,1,0,0,0,0|2,0,0]=4 3957 B11R1.192 COCc1ccc(c(c1)Br)Cl 7a_100012353893_200000210301 [1,1,0,0,0,0|2,0,0]=4 3958 B11R1.192 COCc1ccc(c(c1)Br)F 34a_100000246287_200000210301 [1,1,0,0,0,0|2,0,0]=4 3959 B11R1.192 COCc1ccc(c(c1)Br)F 34a_100138415774_100011206884 [1,1,0,0,0,0|2,0,0]=4 3960 B11R1.192 COCc1ccc(c(c1)Br)F 7a_100000246287_200000210301 [1,1,0,0,0,0|2,0,0]=4 3961 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100000718852_200000210301 [1,1,0,0,0,0|2,0,0]=4 3962 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100138415774_100000727479 [1,1,0,0,0,0|2,0,0]=4 3963 B11R1.192 COCc1ccc(c(c1)C)Br 7a_100000718852_200000210301 [1,1,0,0,0,0|2,0,0]=4 3964 B11R1.192 COCc1ccc(c(c1)C)C 34a_100011215342_200000210301 [1,1,0,0,0,0|1,0,1]=4 3965 B11R1.192 COCc1ccc(c(c1)C)C 34a_100138415774_100000742320 [1,1,0,0,0,0|1,0,1]=4 3966 B11R1.192 COCc1ccc(c(c1)C)C 7a_100011215342_200000210301 [1,1,0,0,0,0|1,0,1]=4 3967 B11R1.192 COCc1ccc(c(c1)C)Cl 34a_100138415774_100012184735 [1,1,0,0,0,0|2,0,0]=4 3968 B11R1.192 COCc1ccc(c(c1)C)F 34a_100011219793_200000210301 [1,1,0,0,0,0|2,0,0]=4 3969 B11R1.192 COCc1ccc(c(c1)C)F 34a_100138415774_100011216667 [1,1,0,0,0,0|2,0,0]=4 3970 B11R1.192 COCc1ccc(c(c1)C)F 7a_100011219793_200000210301 [1,1,0,0,0,0|2,0,0]=4 3971 B11R1.192 COCc1ccc(c(c1)C)N 34a_200011997030_200000210301 [1,1,0,0,0,0|2,0,0]=4 3972 B11R1.192 COCc1ccc(c(c1)Cl)Br 34a_100000709168_200000210301 [1,1,0,0,0,0|2,0,0]=4 3973 B11R1.192 COCc1ccc(c(c1)Cl)Br 34a_100138415774_100012353895 [1,1,0,0,0,0|2,0,0]=4 3974 B11R1.192 COCc1ccc(c(c1)Cl)Br 7a_100000709168_200000210301 [1,1,0,0,0,0|2,0,0]=4 3975 B11R1.192 COCc1ccc(c(c1)Cl)C 34a_100011290783_200000210301 [1,1,0,0,0,0|1,0,1]=4 3976 B11R1.192 COCc1ccc(c(c1)Cl)C 34a_100138415774_100011823929 [1,1,0,0,0,0|1,0,1]=4 3977 B11R1.192 COCc1ccc(c(c1)Cl)C 7a_100011290783_200000210301 [1,1,0,0,0,0|1,0,1]=4 3978 B11R1.192 COCc1ccc(c(c1)Cl)Cl 34a_100000211588_200000210301 [1,1,0,0,0,0|2,0,0]=4 3979 B11R1.192 COCc1ccc(c(c1)Cl)Cl 34a_100138415774_100000184707 [1,1,0,0,0,0|2,0,0]=4 3980 B11R1.192 COCc1ccc(c(c1)Cl)Cl 7a_100000211588_200000210301 [1,1,0,0,0,0|2,0,0]=4 3981 B11R1.192 COCc1ccc(c(c1)Cl)F 34a_100011217911_200000210301 [1,1,0,0,0,0|2,0,0]=4 3982 B11R1.192 COCc1ccc(c(c1)Cl)F 34a_100138415774_100011934319 [1,1,0,0,0,0|2,0,0]=4 3983 B11R1.192 COCc1ccc(c(c1)Cl)F 7a_100011217911_200000210301 [1,1,0,0,0,0|2,0,0]=4 3984 B11R1.192 COCc1ccc(c(c1)Cl)I 34a_100000718186_200000210301 [1,1,0,0,0,0|2,0,0]=4 3985 B11R1.192 COCc1ccc(c(c1)Cl)I 34a_100138415774_100012349665 [1,1,0,0,0,0|2,0,0]=4 3986 B11R1.192 COCc1ccc(c(c1)Cl)I 7a_100000718186_200000210301 [1,1,0,0,0,0|2,0,0]=4 3987 B11R1.192 COCc1ccc(c(c1)F)Br 34a_100011533735_200000210301 [1,1,0,0,0,0|2,0,0]=4 3988 B11R1.192 COCc1ccc(c(c1)F)Br 34a_100138415774_100000767054 [1,1,0,0,0,0|2,0,0]=4 3989 B11R1.192 COCc1ccc(c(c1)F)Br 7a_100011533735_200000210301 [1,1,0,0,0,0|2,0,0]=4 3990 B11R1.192 COCc1ccc(c(c1)F)C 34a_100000702247_200000210301 [1,1,0,0,0,0|1,0,1]=4 3991 B11R1.192 COCc1ccc(c(c1)F)C 34a_100138415774_100011217369 [1,1,0,0,0,0|1,0,1]=4 3992 B11R1.192 COCc1ccc(c(c1)F)C 7a_100000702247_200000210301 [1,1,0,0,0,0|1,0,1]=4 3993 B11R1.192 COCc1ccc(c(c1)F)Cl 34a_100011218299_200000210301 [1,1,0,0,0,0|2,0,0]=4 3994 B11R1.192 COCc1ccc(c(c1)F)Cl 34a_100138415774_100011519011 [1,1,0,0,0,0|2,0,0]=4 3995 B11R1.192 COCc1ccc(c(c1)F)Cl 7a_100011218299_200000210301 [1,1,0,0,0,0|2,0,0]=4 3996 B11R1.192 COCc1ccc(c(c1)F)F 34a_100011215442_200000210301 [1,1,0,0,0,0|2,0,0]=4 3997 B11R1.192 COCc1ccc(c(c1)F)F 34a_100138415774_100000757363 [1,1,0,0,0,0|2,0,0]=4 3998 B11R1.192 COCc1ccc(c(c1)F)F 7a_100011215442_200000210301 [1,1,0,0,0,0|2,0,0]=4 3999 B11R1.192 COCc1ccc(c(c1)F)I 34a_100010149597_200000210301 [1,1,0,0,0,0|2,0,0]=4 4000 B11R1.192 COCc1ccc(c(c1)F)I 34a_100138415774_100010149604 [1,1,0,0,0,0|2,0,0]=4 4001 B11R1.192 COCc1ccc(c(c1)F)I 7a_100010149597_200000210301 [1,1,0,0,0,0|2,0,0]=4 4002 B11R1.192 COCc1ccc(c(c1)F)N 34a_100011217239_200000210301 [1,1,0,0,0,0|2,0,0]=4 4003 B11R1.192 COCc1ccc(c(c1)F)O 271570a_203496583355_100010177442 [1,1,0,0,0,0|1,0,1]=4 4004 B11R1.192 COCc1ccc(c(c1)I)Br 34a_100138415774_100010146616 [1,1,0,0,0,0|2,0,0]=4 4005 B11R1.192 COCc1ccc(c(c1)I)C 34a_100000050133_200000210301 [1,1,0,0,0,0|1,0,1]=4 4006 B11R1.192 COCc1ccc(c(c1)I)C 34a_100138415774_100010206137 [1,1,0,0,0,0|1,0,1]=4 4007 B11R1.192 COCc1ccc(c(c1)I)C 7a_100000050133_200000210301 [1,1,0,0,0,0|1,0,1]=4 4008 B11R1.192 COCc1ccc(c(c1)I)F 34a_100000049585_200000210301 [1,1,0,0,0,0|2,0,0]=4 4009 B11R1.192 COCc1ccc(c(c1)I)F 34a_100138415774_100010188208 [1,1,0,0,0,0|2,0,0]=4 4010 B11R1.192 COCc1ccc(c(c1)I)F 7a_100000049585_200000210301 [1,1,0,0,0,0|2,0,0]=4 4011 B11R1.192 COCc1ccc(c(c1)N)Br 34a_100012347568_200000210301 [1,1,0,0,0,0|2,0,0]=4 4012 B11R1.192 COCc1ccc(c(c1)N)C 34a_100000758420_200000210301 [1,1,0,0,0,0|1,0,1]=4 4013 B11R1.192 COCc1ccc(c(c1)N)Cl 34a_106256033963_200000210301 [1,1,0,0,0,0|2,0,0]=4 4014 B11R1.192 COCc1ccc(c(c1)N)F 34a_102125399562_200000210301 [1,1,0,0,0,0|2,0,0]=4 4015 B11R1.192 COCc1ccc(c(c1)N)O 271570a_203496583355_200013033220 [1,1,0,0,0,0|1,0,1]=4 4016 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [1,1,0,0,0,0|0,0,1]=3 4017 B11R1.192 COCc1ccc(c(c1)O)F 271570a_203496583355_200011493689 [1,1,0,0,0,0|1,0,0]=3 4018 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 34a_100000718852_200025704644 [1,1,0,0,0,0|2,0,0]=4 4019 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 7a_100000718852_200025704644 [1,1,0,0,0,0|2,0,0]=4 4020 B11R1.192 Cc1cc(ccc1Br)OCF 34a_100000690111_100015361967 [1,1,0,0,0,0|2,0,0]=4 4021 B11R1.192 Cc1cc(ccc1Br)OCF 7a_100000690111_100015361967 [1,1,0,0,0,0|2,0,0]=4 4022 B11R1.192 Cc1cc(ccc1Cl)OCF 34a_100000211092_100015361967 [1,1,0,0,0,0|2,0,0]=4 4023 B11R1.192 Cc1cc(ccc1Cl)OCF 7a_100000211092_100015361967 [1,1,0,0,0,0|2,0,0]=4 4024 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 34a_100011219793_200025704644 [1,1,0,0,0,0|2,0,0]=4 4025 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 7a_100011219793_200025704644 [1,1,0,0,0,0|2,0,0]=4 4026 B11R1.192 Cc1cc(ccc1F)OCF 34a_100000751312_100015361967 [1,1,0,0,0,0|2,0,0]=4 4027 B11R1.192 Cc1cc(ccc1F)OCF 7a_100000751312_100015361967 [1,1,0,0,0,0|2,0,0]=4 4028 B11R1.192 Cc1cc(ccc1I)OCF 34a_100000729255_100015361967 [1,1,0,0,0,0|2,0,0]=4 4029 B11R1.192 Cc1cc(ccc1I)OCF 7a_100000729255_100015361967 [1,1,0,0,0,0|2,0,0]=4 4030 B11R1.192 Cc1cc(ccc1N)CO[13CH3] 34a_200011997030_200025704644 [1,1,0,0,0,0|2,0,0]=4 4031 B11R1.192 Cc1cc(ccc1N)OCF 34a_100000756630_100015361967 [1,1,0,0,0,0|2,0,0]=4 4032 B11R1.192 Cc1cc(ccc1N)OCF 7a_100000756630_100015361967 [1,1,0,0,0,0|2,0,0]=4 4033 B11R1.192 Cc1ccc(cc1Br)CO[13CH3] 34a_100000708995_200025704644 [1,1,0,0,0,0|1,0,1]=4 4034 B11R1.192 Cc1ccc(cc1Br)CO[13CH3] 7a_100000708995_200025704644 [1,1,0,0,0,0|1,0,1]=4 4035 B11R1.192 Cc1ccc(cc1Br)OCF 34a_100011380479_100015361967 [1,1,0,0,0,0|1,0,1]=4 4036 B11R1.192 Cc1ccc(cc1Br)OCF 7a_100011380479_100015361967 [1,1,0,0,0,0|1,0,1]=4 4037 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 34a_100011215342_200025704644 [1,1,0,0,0,0|1,0,1]=4 4038 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 7a_100011215342_200025704644 [1,1,0,0,0,0|1,0,1]=4 4039 B11R1.192 Cc1ccc(cc1C)OCF 34a_100000210932_100015361967 [1,1,0,0,0,0|1,0,1]=4 4040 B11R1.192 Cc1ccc(cc1C)OCF 7a_100000210932_100015361967 [1,1,0,0,0,0|1,0,1]=4 4041 B11R1.192 Cc1ccc(cc1Cl)CO[13CH3] 34a_100011290783_200025704644 [1,1,0,0,0,0|1,0,1]=4 4042 B11R1.192 Cc1ccc(cc1Cl)CO[13CH3] 7a_100011290783_200025704644 [1,1,0,0,0,0|1,0,1]=4 4043 B11R1.192 Cc1ccc(cc1Cl)OCF 34a_100011265682_100015361967 [1,1,0,0,0,0|1,0,1]=4 4044 B11R1.192 Cc1ccc(cc1Cl)OCF 7a_100011265682_100015361967 [1,1,0,0,0,0|1,0,1]=4 4045 B11R1.192 Cc1ccc(cc1F)CO[13CH3] 34a_100000702247_200025704644 [1,1,0,0,0,0|1,0,1]=4 4046 B11R1.192 Cc1ccc(cc1F)CO[13CH3] 7a_100000702247_200025704644 [1,1,0,0,0,0|1,0,1]=4 4047 B11R1.192 Cc1ccc(cc1F)OCF 34a_100000722560_100015361967 [1,1,0,0,0,0|1,0,1]=4 4048 B11R1.192 Cc1ccc(cc1F)OCF 7a_100000722560_100015361967 [1,1,0,0,0,0|1,0,1]=4 4049 B11R1.192 Cc1ccc(cc1I)CO[13CH3] 34a_100000050133_200025704644 [1,1,0,0,0,0|1,0,1]=4 4050 B11R1.192 Cc1ccc(cc1I)CO[13CH3] 7a_100000050133_200025704644 [1,1,0,0,0,0|1,0,1]=4 4051 B11R1.192 Cc1ccc(cc1N)CO[13CH3] 34a_100000758420_200025704644 [1,1,0,0,0,0|1,0,1]=4 4052 B11R1.192 Cc1ccc(cc1N)OCF 34a_100011216113_100015361967 [1,1,0,0,0,0|1,0,1]=4 4053 B11R1.192 Cc1ccc(cc1N)OCF 7a_100011216113_100015361967 [1,1,0,0,0,0|1,0,1]=4 4054 B11R1.192 Cc1ccc(cc1O)NCF 34a_100000759471_100015361967 [1,1,0,0,0,0|1,0,1]=4 4055 B11R1.192 Cc1ccc(cc1O)NCF 7a_100000759471_100015361967 [1,1,0,0,0,0|1,0,1]=4 4056 B11R1.192 Cc1ccc(cc1O)SCF 62a_100000685420_100015361967 [1,1,0,0,0,0|0,1,1]=4 4057 B11R1.192 Cc1ccc(cc1O)SCF 62a_100015361967_100000685420 [1,1,0,0,0,0|0,1,1]=4 4058 B11R1.192 FCOc1ccc(c(c1)Br)Cl 34a_100011933957_100015361967 [1,1,0,0,0,0|2,0,0]=4 4059 B11R1.192 FCOc1ccc(c(c1)Br)Cl 7a_100011933957_100015361967 [1,1,0,0,0,0|2,0,0]=4 4060 B11R1.192 FCOc1ccc(c(c1)Br)F 34a_100000693481_100015361967 [1,1,0,0,0,0|2,0,0]=4 4061 B11R1.192 FCOc1ccc(c(c1)Br)F 7a_100000693481_100015361967 [1,1,0,0,0,0|2,0,0]=4 4062 B11R1.192 FCOc1ccc(c(c1)Br)I 34a_100000701344_100015361967 [1,1,0,0,0,0|2,0,0]=4 4063 B11R1.192 FCOc1ccc(c(c1)Br)I 7a_100000701344_100015361967 [1,1,0,0,0,0|2,0,0]=4 4064 B11R1.192 FCOc1ccc(c(c1)Cl)Br 34a_100011215161_100015361967 [1,1,0,0,0,0|2,0,0]=4 4065 B11R1.192 FCOc1ccc(c(c1)Cl)Br 7a_100011215161_100015361967 [1,1,0,0,0,0|2,0,0]=4 4066 B11R1.192 FCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100015361967 [1,1,0,0,0,0|2,0,0]=4 4067 B11R1.192 FCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100015361967 [1,1,0,0,0,0|2,0,0]=4 4068 B11R1.192 FCOc1ccc(c(c1)Cl)F 34a_100000211030_100015361967 [1,1,0,0,0,0|2,0,0]=4 4069 B11R1.192 FCOc1ccc(c(c1)Cl)F 7a_100000211030_100015361967 [1,1,0,0,0,0|2,0,0]=4 4070 B11R1.192 FCOc1ccc(c(c1)Cl)I 34a_100000047559_100015361967 [1,1,0,0,0,0|2,0,0]=4 4071 B11R1.192 FCOc1ccc(c(c1)Cl)I 7a_100000047559_100015361967 [1,1,0,0,0,0|2,0,0]=4 4072 B11R1.192 FCOc1ccc(c(c1)F)Br 34a_100000755031_100015361967 [1,1,0,0,0,0|2,0,0]=4 4073 B11R1.192 FCOc1ccc(c(c1)F)Br 7a_100000755031_100015361967 [1,1,0,0,0,0|2,0,0]=4 4074 B11R1.192 FCOc1ccc(c(c1)F)Cl 34a_100000691581_100015361967 [1,1,0,0,0,0|2,0,0]=4 4075 B11R1.192 FCOc1ccc(c(c1)F)Cl 7a_100000691581_100015361967 [1,1,0,0,0,0|2,0,0]=4 4076 B11R1.192 FCOc1ccc(c(c1)F)F 34a_100000181275_100015361967 [1,1,0,0,0,0|2,0,0]=4 4077 B11R1.192 FCOc1ccc(c(c1)F)F 7a_100000181275_100015361967 [1,1,0,0,0,0|2,0,0]=4 4078 B11R1.192 FCOc1ccc(c(c1)F)I 34a_100009990212_100015361967 [1,1,0,0,0,0|2,0,0]=4 4079 B11R1.192 FCOc1ccc(c(c1)F)I 7a_100009990212_100015361967 [1,1,0,0,0,0|2,0,0]=4 4080 B11R1.192 FCOc1ccc(c(c1)I)Br 34a_100012339312_100015361967 [1,1,0,0,0,0|2,0,0]=4 4081 B11R1.192 FCOc1ccc(c(c1)I)Br 7a_100012339312_100015361967 [1,1,0,0,0,0|2,0,0]=4 4082 B11R1.192 FCOc1ccc(c(c1)I)Cl 34a_100000049588_100015361967 [1,1,0,0,0,0|2,0,0]=4 4083 B11R1.192 FCOc1ccc(c(c1)I)Cl 7a_100000049588_100015361967 [1,1,0,0,0,0|2,0,0]=4 4084 B11R1.192 Nc1cc(ccc1Br)OCF 34a_100011999798_100015361967 [1,1,0,0,0,0|2,0,0]=4 4085 B11R1.192 Nc1cc(ccc1Br)OCF 7a_100011999798_100015361967 [1,1,0,0,0,0|2,0,0]=4 4086 B11R1.192 Nc1cc(ccc1Cl)OCF 34a_100011934297_100015361967 [1,1,0,0,0,0|2,0,0]=4 4087 B11R1.192 Nc1cc(ccc1F)OCF 34a_100012017239_100015361967 [1,1,0,0,0,0|2,0,0]=4 4088 B11R1.192 Nc1cc(ccc1F)OCF 7a_100012017239_100015361967 [1,1,0,0,0,0|2,0,0]=4 4089 B11R1.192 Nc1ccc(cc1Br)OCF 34a_100012001276_100015361967 [1,1,0,0,0,0|2,0,0]=4 4090 B11R1.192 Nc1ccc(cc1Br)OCF 7a_100012001276_100015361967 [1,1,0,0,0,0|2,0,0]=4 4091 B11R1.192 Nc1ccc(cc1Cl)OCF 34a_100011215599_100015361967 [1,1,0,0,0,0|2,0,0]=4 4092 B11R1.192 Nc1ccc(cc1Cl)OCF 7a_100011215599_100015361967 [1,1,0,0,0,0|2,0,0]=4 4093 B11R1.192 Nc1ccc(cc1F)OCF 34a_100000759473_100015361967 [1,1,0,0,0,0|2,0,0]=4 4094 B11R1.192 Nc1ccc(cc1F)OCF 7a_100000759473_100015361967 [1,1,0,0,0,0|2,0,0]=4 4095 B11R1.192 Nc1ccc(cc1I)OCF 34a_100010084370_100015361967 [1,1,0,0,0,0|2,0,0]=4 4096 B11R1.192 Nc1ccc(cc1I)OCF 7a_100010084370_100015361967 [1,1,0,0,0,0|2,0,0]=4 4097 B11R1.192 Nc1ccc(cc1N)OCF 34a_100025771000_100015361967 [1,1,0,0,0,0|2,0,0]=4 4098 B11R1.192 Nc1ccc(cc1O)SCF 62a_100000739049_100015361967 [1,1,0,0,0,0|1,1,0]=4 4099 B11R1.192 Nc1ccc(cc1O)SCF 62a_100015361967_100000739049 [1,1,0,0,0,0|1,1,0]=4 4100 B11R1.192 O=c1[nH]cc(cc1O)SCF 62a_100015361967_100009814561 [1,1,0,0,0,0|1,1,0]=4 4101 B11R1.192 Oc1cc(ccc1Br)SCF 62a_100012356990_100015361967 [1,1,0,0,0,0|1,1,0]=4 4102 B11R1.192 Oc1cc(ccc1Br)SCF 62a_100015361967_100012356990 [1,1,0,0,0,0|1,1,0]=4 4103 B11R1.192 Oc1cc(ccc1Cl)NCF 34a_100011934209_100015361967 [1,1,0,0,0,0|2,0,0]=4 4104 B11R1.192 Oc1cc(ccc1Cl)SCF 62a_100011356854_100015361967 [1,1,0,0,0,0|1,1,0]=4 4105 B11R1.192 Oc1cc(ccc1Cl)SCF 62a_100015361967_100011356854 [1,1,0,0,0,0|1,1,0]=4 4106 B11R1.192 Oc1cc(ccc1F)NCF 34a_100012017398_100015361967 [1,1,0,0,0,0|2,0,0]=4 4107 B11R1.192 Oc1cc(ccc1F)NCF 7a_100012017398_100015361967 [1,1,0,0,0,0|2,0,0]=4 4108 B11R1.192 Oc1cc(ccc1F)SCF 62a_100000686035_100015361967 [1,1,0,0,0,0|1,1,0]=4 4109 B11R1.192 Oc1cc(ccc1F)SCF 62a_100015361967_100000686035 [1,1,0,0,0,0|1,1,0]=4 4110 B11R1.192 Oc1ccc(cc1O)NCF 34a_100102946323_100015361967 [1,1,0,0,0,0|1,0,1]=4 4111 B11R1.192 Oc1ccc(cc1O)SCF 62a_100015361967_100009813601 [1,1,0,0,0,0|0,1,1]=4 4112 B11R1.192 [13CH3]NCc1ccc(c(c1)O)Cl 34a_100020636435_200025704644 [1,1,0,0,0,0|2,0,0]=4 4113 B11R1.192 [13CH3]NCc1ccc(c(c1)O)F 34a_100160469508_200025704644 [1,1,0,0,0,0|2,0,0]=4 4114 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [1,1,0,0,0,0|1,0,1]=4 4115 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)Cl 34a_100012353893_200025704644 [1,1,0,0,0,0|2,0,0]=4 4116 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)Cl 7a_100012353893_200025704644 [1,1,0,0,0,0|2,0,0]=4 4117 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)F 34a_100000246287_200025704644 [1,1,0,0,0,0|2,0,0]=4 4118 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)F 7a_100000246287_200025704644 [1,1,0,0,0,0|2,0,0]=4 4119 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Br 34a_100000709168_200025704644 [1,1,0,0,0,0|2,0,0]=4 4120 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Br 7a_100000709168_200025704644 [1,1,0,0,0,0|2,0,0]=4 4121 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Cl 34a_100000211588_200025704644 [1,1,0,0,0,0|2,0,0]=4 4122 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Cl 7a_100000211588_200025704644 [1,1,0,0,0,0|2,0,0]=4 4123 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)F 34a_100011217911_200025704644 [1,1,0,0,0,0|2,0,0]=4 4124 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)F 7a_100011217911_200025704644 [1,1,0,0,0,0|2,0,0]=4 4125 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)I 34a_100000718186_200025704644 [1,1,0,0,0,0|2,0,0]=4 4126 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)I 7a_100000718186_200025704644 [1,1,0,0,0,0|2,0,0]=4 4127 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Br 34a_100011533735_200025704644 [1,1,0,0,0,0|2,0,0]=4 4128 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Br 7a_100011533735_200025704644 [1,1,0,0,0,0|2,0,0]=4 4129 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Cl 34a_100011218299_200025704644 [1,1,0,0,0,0|2,0,0]=4 4130 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Cl 7a_100011218299_200025704644 [1,1,0,0,0,0|2,0,0]=4 4131 B11R1.192 [13CH3]OCc1ccc(c(c1)F)F 34a_100011215442_200025704644 [1,1,0,0,0,0|2,0,0]=4 4132 B11R1.192 [13CH3]OCc1ccc(c(c1)F)F 7a_100011215442_200025704644 [1,1,0,0,0,0|2,0,0]=4 4133 B11R1.192 [13CH3]OCc1ccc(c(c1)F)I 34a_100010149597_200025704644 [1,1,0,0,0,0|2,0,0]=4 4134 B11R1.192 [13CH3]OCc1ccc(c(c1)F)I 7a_100010149597_200025704644 [1,1,0,0,0,0|2,0,0]=4 4135 B11R1.192 [13CH3]OCc1ccc(c(c1)F)N 34a_100011217239_200025704644 [1,1,0,0,0,0|2,0,0]=4 4136 B11R1.192 [13CH3]OCc1ccc(c(c1)I)F 34a_100000049585_200025704644 [1,1,0,0,0,0|2,0,0]=4 4137 B11R1.192 [13CH3]OCc1ccc(c(c1)I)F 7a_100000049585_200025704644 [1,1,0,0,0,0|2,0,0]=4 4138 B11R1.192 [13CH3]OCc1ccc(c(c1)N)Br 34a_100012347568_200025704644 [1,1,0,0,0,0|2,0,0]=4 4139 B11R1.192 [13CH3]OCc1ccc(c(c1)N)Cl 34a_106256033963_200025704644 [1,1,0,0,0,0|2,0,0]=4 4140 B11R1.192 [13CH3]OCc1ccc(c(c1)N)F 34a_102125399562_200025704644 [1,1,0,0,0,0|2,0,0]=4 4141 B11R1.280 C=Cc1cc(ccc1Br)OC 271570a_100011290941_100009992028 [1,1,0,0,0,0|2,0,0]=4 4142 B11R1.280 C=Cc1cc(ccc1C)OC 271570a_100011290941_100012349166 [1,1,0,0,0,0|1,0,1]=4 4143 B11R1.280 C=Cc1cc(ccc1Cl)OC 271570a_100011290941_100011356938 [1,1,0,0,0,0|2,0,0]=4 4144 B11R1.280 C=Cc1cc(ccc1F)OC 271570a_100011290941_100000699733 [1,1,0,0,0,0|2,0,0]=4 4145 B11R1.280 C=Cc1cc(ccc1N)OC 271570a_100011290941_100015195136 [1,1,0,0,0,0|2,0,0]=4 4146 B11R1.280 C=Cc1cc(ccc1O)OC 271570a_100011290941_100000685887 [1,1,0,0,0,0|1,0,1]=4 4147 B11R1.280 CCc1cc(ccc1Cl)OC 34a_100000212063_200000210301 [1,1,0,0,0,0|2,0,0]=4 4148 B11R1.280 CCc1cc(ccc1Cl)OC 7a_100000212063_200000210301 [1,1,0,0,0,0|2,0,0]=4 4149 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 34a_100000212063_200025704644 [1,1,0,0,0,0|2,0,0]=4 4150 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 7a_100000212063_200025704644 [1,1,0,0,0,0|2,0,0]=4 4151 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [1,1,0,0,0,0|1,0,1]=4 4152 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [1,1,0,0,0,0|2,0,0]=4 4153 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [1,1,0,0,0,0|2,0,0]=4 4154 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [1,1,0,0,0,0|1,0,1]=4 4155 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [1,1,0,0,0,0|2,0,0]=4 4156 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [1,1,0,0,0,0|2,0,0]=4 4157 B11R1.280 CNc1cc(ccc1Br)OC 34a_100000748603_200000210301 [1,1,0,0,0,0|2,0,0]=4 4158 B11R1.280 CNc1cc(ccc1C)OC 2230a_100000760359_200000210301 [1,1,0,0,0,0|1,0,1]=4 4159 B11R1.280 CNc1cc(ccc1C)OC 34a_100000760359_200000210301 [1,1,0,0,0,0|1,0,1]=4 4160 B11R1.280 CNc1cc(ccc1Cl)OC 34a_100000745576_200000210301 [1,1,0,0,0,0|2,0,0]=4 4161 B11R1.280 CNc1cc(ccc1F)OC 34a_100000764331_200000210301 [1,1,0,0,0,0|2,0,0]=4 4162 B11R1.280 CNc1cc(ccc1I)OC 34a_100000748021_200000210301 [1,1,0,0,0,0|2,0,0]=4 4163 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [1,1,0,0,0,0|1,0,1]=4 4164 B11R1.280 CNc1ccc(c(c1)CO)Br 2230a_100012347228_200000210301 [1,1,0,0,0,0|2,0,0]=4 4165 B11R1.280 CNc1ccc(c(c1)CO)Br 34a_100012347228_200000210301 [1,1,0,0,0,0|2,0,0]=4 4166 B11R1.280 CNc1ccc(c(c1)CO)Cl 2230a_100011273577_200000210301 [1,1,0,0,0,0|2,0,0]=4 4167 B11R1.280 CNc1ccc(c(c1)CO)Cl 34a_100011273577_200000210301 [1,1,0,0,0,0|2,0,0]=4 4168 B11R1.280 CNc1ccc(c(c1)CO)F 34a_100011218011_200000210301 [1,1,0,0,0,0|2,0,0]=4 4169 B11R1.280 CNc1ccc(c(c1)OC)Br 2230a_100000765947_200000210301 [1,1,0,0,0,0|2,0,0]=4 4170 B11R1.280 CNc1ccc(c(c1)OC)Br 34a_100000765947_200000210301 [1,1,0,0,0,0|2,0,0]=4 4171 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [1,1,0,0,0,0|1,0,1]=4 4172 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [1,1,0,0,0,0|1,0,1]=4 4173 B11R1.280 CNc1ccc(c(c1)OC)Cl 2230a_100000742311_200000210301 [1,1,0,0,0,0|2,0,0]=4 4174 B11R1.280 CNc1ccc(c(c1)OC)Cl 34a_100000742311_200000210301 [1,1,0,0,0,0|2,0,0]=4 4175 B11R1.280 CNc1ccc(c(c1)OC)F 2230a_100000701188_200000210301 [1,1,0,0,0,0|2,0,0]=4 4176 B11R1.280 CNc1ccc(c(c1)OC)F 34a_100000701188_200000210301 [1,1,0,0,0,0|2,0,0]=4 4177 B11R1.280 CNc1ccc(c(c1)OC)I 34a_100000746945_200000210301 [1,1,0,0,0,0|2,0,0]=4 4178 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [1,1,0,0,0,0|1,0,1]=4 4179 B11R1.280 COc1cc(c(cn1)Br)OC 34a_100010738159_200000210301 [1,1,0,0,0,0|2,0,0]=4 4180 B11R1.280 COc1cc(c(cn1)Br)O[13CH3] 34a_100010738159_200025704644 [1,1,0,0,0,0|2,0,0]=4 4181 B11R1.280 COc1cc(c(cn1)O)CO 271570a_203496583355_100012343675 [1,1,0,0,0,0|1,0,1]=4 4182 B11R1.280 COc1cc(c(cn1)O)OC 271570a_203496583355_100010191559 [1,1,0,0,0,0|1,0,1]=4 4183 B11R1.280 COc1cc(c[nH]c1=O)SC 62a_200000210301_100010125397 [1,1,0,0,0,0|1,1,0]=4 4184 B11R1.280 COc1cc(c[nH]c1=O)S[13CH3] 62a_200025704644_100010125397 [1,1,0,0,0,0|1,1,0]=4 4185 B11R1.280 COc1cc(ccc1Br)N[13CH3] 2230a_100000765947_200025704644 [1,1,0,0,0,0|2,0,0]=4 4186 B11R1.280 COc1cc(ccc1Br)N[13CH3] 34a_100000765947_200025704644 [1,1,0,0,0,0|2,0,0]=4 4187 B11R1.280 COc1cc(ccc1Br)O[13CH3] 34a_100011827694_200025704644 [1,1,0,0,0,0|1,0,0]=3 4188 B11R1.280 COc1cc(ccc1Br)O[13CH3] 7a_100011827694_200025704644 [1,1,0,0,0,0|1,0,0]=3 4189 B11R1.280 COc1cc(ccc1Br)SC 62a_100012353699_200000210301 [1,1,0,0,0,0|1,1,0]=4 4190 B11R1.280 COc1cc(ccc1Br)SC 62a_200000210301_100012353699 [1,1,0,0,0,0|1,1,0]=4 4191 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_100012353699_200025704644 [1,1,0,0,0,0|1,1,0]=4 4192 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_200025704644_100012353699 [1,1,0,0,0,0|1,1,0]=4 4193 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [1,1,0,0,0,0|1,0,1]=4 4194 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [1,1,0,0,0,0|1,0,1]=4 4195 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [1,1,0,0,0,0|0,0,1]=3 4196 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [1,1,0,0,0,0|0,0,1]=3 4197 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [1,1,0,0,0,0|0,1,1]=4 4198 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [1,1,0,0,0,0|0,1,1]=4 4199 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [1,1,0,0,0,0|0,1,1]=4 4200 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [1,1,0,0,0,0|0,1,1]=4 4201 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 2230a_100000742311_200025704644 [1,1,0,0,0,0|2,0,0]=4 4202 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 34a_100000742311_200025704644 [1,1,0,0,0,0|2,0,0]=4 4203 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 34a_100012186310_200025704644 [1,1,0,0,0,0|1,0,0]=3 4204 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 7a_100012186310_200025704644 [1,1,0,0,0,0|1,0,0]=3 4205 B11R1.280 COc1cc(ccc1Cl)SC 62a_100011356853_200000210301 [1,1,0,0,0,0|1,1,0]=4 4206 B11R1.280 COc1cc(ccc1Cl)SC 62a_200000210301_100011356853 [1,1,0,0,0,0|1,1,0]=4 4207 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_100011356853_200025704644 [1,1,0,0,0,0|1,1,0]=4 4208 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100011356853 [1,1,0,0,0,0|1,1,0]=4 4209 B11R1.280 COc1cc(ccc1F)N[13CH3] 2230a_100000701188_200025704644 [1,1,0,0,0,0|2,0,0]=4 4210 B11R1.280 COc1cc(ccc1F)N[13CH3] 34a_100000701188_200025704644 [1,1,0,0,0,0|2,0,0]=4 4211 B11R1.280 COc1cc(ccc1F)O[13CH3] 34a_100012001760_200025704644 [1,1,0,0,0,0|1,0,0]=3 4212 B11R1.280 COc1cc(ccc1F)O[13CH3] 7a_100012001760_200025704644 [1,1,0,0,0,0|1,0,0]=3 4213 B11R1.280 COc1cc(ccc1F)SC 62a_100011934186_200000210301 [1,1,0,0,0,0|1,1,0]=4 4214 B11R1.280 COc1cc(ccc1F)SC 62a_200000210301_100011934186 [1,1,0,0,0,0|1,1,0]=4 4215 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_100011934186_200025704644 [1,1,0,0,0,0|1,1,0]=4 4216 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_200025704644_100011934186 [1,1,0,0,0,0|1,1,0]=4 4217 B11R1.280 COc1cc(ccc1I)N[13CH3] 34a_100000746945_200025704644 [1,1,0,0,0,0|2,0,0]=4 4218 B11R1.280 COc1cc(ccc1N)O[13CH3] 34a_100015326901_200025704644 [1,1,0,0,0,0|1,0,0]=3 4219 B11R1.280 COc1cc(ccc1N)O[13CH3] 7a_100015326901_200025704644 [1,1,0,0,0,0|1,0,0]=3 4220 B11R1.280 COc1cc(ccc1N)SC 62a_100011279103_200000210301 [1,1,0,0,0,0|1,1,0]=4 4221 B11R1.280 COc1cc(ccc1N)SC 62a_200000210301_100015196925 [1,1,0,0,0,0|1,1,0]=4 4222 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_100011279103_200025704644 [1,1,0,0,0,0|1,1,0]=4 4223 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_200025704644_100015196925 [1,1,0,0,0,0|1,1,0]=4 4224 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [1,1,0,0,0,0|1,0,1]=4 4225 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [1,1,0,0,0,0|0,1,1]=4 4226 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [1,1,0,0,0,0|0,1,1]=4 4227 B11R1.280 COc1ccc(c(c1)C#N)Br 34a_100009818209_200000210301 [1,1,0,0,0,0|2,0,0]=4 4228 B11R1.280 COc1ccc(c(c1)C#N)Br 7a_100009818209_200000210301 [1,1,0,0,0,0|2,0,0]=4 4229 B11R1.280 COc1ccc(c(c1)C#N)Cl 34a_100000092820_200000210301 [1,1,0,0,0,0|2,0,0]=4 4230 B11R1.280 COc1ccc(c(c1)C#N)Cl 7a_100000092820_200000210301 [1,1,0,0,0,0|2,0,0]=4 4231 B11R1.280 COc1ccc(c(c1)C#N)F 34a_100000070142_200000210301 [1,1,0,0,0,0|2,0,0]=4 4232 B11R1.280 COc1ccc(c(c1)C#N)F 7a_100000070142_200000210301 [1,1,0,0,0,0|2,0,0]=4 4233 B11R1.280 COc1ccc(c(c1)C#N)N 34a_200011997737_200000210301 [1,1,0,0,0,0|2,0,0]=4 4234 B11R1.280 COc1ccc(c(c1)C#N)N 7a_200011997737_200000210301 [1,1,0,0,0,0|2,0,0]=4 4235 B11R1.280 COc1ccc(c(c1)C#N)O 271570a_203496583355_100000748272 [1,1,0,0,0,0|1,0,1]=4 4236 B11R1.280 COc1ccc(c(c1)C=O)O 271570a_203496583355_100000691568 [1,1,0,0,0,0|0,0,2]=4 4237 B11R1.280 COc1ccc(c(c1)CN)C 34a_200009844824_200000210301 [1,1,0,0,0,0|1,0,1]=4 4238 B11R1.280 COc1ccc(c(c1)CN)O 271570a_203496583355_100000741592 [1,1,0,0,0,0|1,0,1]=4 4239 B11R1.280 COc1ccc(c(c1)CO)Br 34a_100012351483_200000210301 [1,1,0,0,0,0|1,0,0]=3 4240 B11R1.280 COc1ccc(c(c1)CO)Br 7a_100012351483_200000210301 [1,1,0,0,0,0|1,0,0]=3 4241 B11R1.280 COc1ccc(c(c1)CO)C 34a_100009878257_200000210301 [1,1,0,0,0,0|0,0,1]=3 4242 B11R1.280 COc1ccc(c(c1)CO)C 7a_100009878257_200000210301 [1,1,0,0,0,0|0,0,1]=3 4243 B11R1.280 COc1ccc(c(c1)CO)Cl 34a_100000091669_200000210301 [1,1,0,0,0,0|1,0,0]=3 4244 B11R1.280 COc1ccc(c(c1)CO)Cl 7a_100000091669_200000210301 [1,1,0,0,0,0|1,0,0]=3 4245 B11R1.280 COc1ccc(c(c1)CO)O 271570a_203496583355_200011273942 [1,1,0,0,0,0|0,0,1]=3 4246 B11R1.280 COc1ccc(c(c1)N[13CH3])Br 34a_100000748603_200025704644 [1,1,0,0,0,0|2,0,0]=4 4247 B11R1.280 COc1ccc(c(c1)N[13CH3])C 2230a_100000760359_200025704644 [1,1,0,0,0,0|1,0,1]=4 4248 B11R1.280 COc1ccc(c(c1)N[13CH3])C 34a_100000760359_200025704644 [1,1,0,0,0,0|1,0,1]=4 4249 B11R1.280 COc1ccc(c(c1)N[13CH3])Cl 34a_100000745576_200025704644 [1,1,0,0,0,0|2,0,0]=4 4250 B11R1.280 COc1ccc(c(c1)N[13CH3])F 34a_100000764331_200025704644 [1,1,0,0,0,0|2,0,0]=4 4251 B11R1.280 COc1ccc(c(c1)N[13CH3])I 34a_100000748021_200025704644 [1,1,0,0,0,0|2,0,0]=4 4252 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [1,1,0,0,0,0|1,0,1]=4 4253 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100000719091_200000210301 [1,1,0,0,0,0|1,0,0]=3 4254 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100011827694_200000210301 [1,1,0,0,0,0|1,0,0]=3 4255 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100000719091_200000210301 [1,1,0,0,0,0|1,0,0]=3 4256 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100011827694_200000210301 [1,1,0,0,0,0|1,0,0]=3 4257 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [1,1,0,0,0,0|0,0,1]=3 4258 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [1,1,0,0,0,0|0,0,1]=3 4259 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [1,1,0,0,0,0|0,0,1]=3 4260 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [1,1,0,0,0,0|0,0,1]=3 4261 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100011516019_200000210301 [1,1,0,0,0,0|1,0,0]=3 4262 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100012186310_200000210301 [1,1,0,0,0,0|1,0,0]=3 4263 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100011516019_200000210301 [1,1,0,0,0,0|1,0,0]=3 4264 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100012186310_200000210301 [1,1,0,0,0,0|1,0,0]=3 4265 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012001760_200000210301 [1,1,0,0,0,0|1,0,0]=3 4266 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012178750_200000210301 [1,1,0,0,0,0|1,0,0]=3 4267 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012001760_200000210301 [1,1,0,0,0,0|1,0,0]=3 4268 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012178750_200000210301 [1,1,0,0,0,0|1,0,0]=3 4269 B11R1.280 COc1ccc(c(c1)OC)I 34a_100010168831_200000210301 [1,1,0,0,0,0|1,0,0]=3 4270 B11R1.280 COc1ccc(c(c1)OC)I 7a_100010168831_200000210301 [1,1,0,0,0,0|1,0,0]=3 4271 B11R1.280 COc1ccc(c(c1)OC)N 34a_100015326901_200000210301 [1,1,0,0,0,0|1,0,0]=3 4272 B11R1.280 COc1ccc(c(c1)OC)N 34a_100016989039_200000210301 [1,1,0,0,0,0|1,0,0]=3 4273 B11R1.280 COc1ccc(c(c1)OC)N 7a_100015326901_200000210301 [1,1,0,0,0,0|1,0,0]=3 4274 B11R1.280 COc1ccc(c(c1)OC)N 7a_100016989039_200000210301 [1,1,0,0,0,0|1,0,0]=3 4275 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [1,1,0,0,0,0|0,0,1]=3 4276 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 34a_100000719091_200025704644 [1,1,0,0,0,0|1,0,0]=3 4277 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 7a_100000719091_200025704644 [1,1,0,0,0,0|1,0,0]=3 4278 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [1,1,0,0,0,0|0,0,1]=3 4279 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [1,1,0,0,0,0|0,0,1]=3 4280 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 34a_100011516019_200025704644 [1,1,0,0,0,0|1,0,0]=3 4281 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 7a_100011516019_200025704644 [1,1,0,0,0,0|1,0,0]=3 4282 B11R1.280 COc1ccc(c(c1)O[13CH3])F 34a_100012178750_200025704644 [1,1,0,0,0,0|1,0,0]=3 4283 B11R1.280 COc1ccc(c(c1)O[13CH3])F 7a_100012178750_200025704644 [1,1,0,0,0,0|1,0,0]=3 4284 B11R1.280 COc1ccc(c(c1)O[13CH3])I 34a_100010168831_200025704644 [1,1,0,0,0,0|1,0,0]=3 4285 B11R1.280 COc1ccc(c(c1)O[13CH3])I 7a_100010168831_200025704644 [1,1,0,0,0,0|1,0,0]=3 4286 B11R1.280 COc1ccc(c(c1)O[13CH3])N 34a_100016989039_200025704644 [1,1,0,0,0,0|1,0,0]=3 4287 B11R1.280 COc1ccc(c(c1)O[13CH3])N 7a_100016989039_200025704644 [1,1,0,0,0,0|1,0,0]=3 4288 B11R1.280 COc1ccc(c(c1)SC)Br 62a_100009992028_200000210301 [1,1,0,0,0,0|1,1,0]=4 4289 B11R1.280 COc1ccc(c(c1)SC)Br 62a_200000210301_100009992028 [1,1,0,0,0,0|1,1,0]=4 4290 B11R1.280 COc1ccc(c(c1)SC)C 62a_100012349166_200000210301 [1,1,0,0,0,0|0,1,1]=4 4291 B11R1.280 COc1ccc(c(c1)SC)C 62a_200000210301_100012349166 [1,1,0,0,0,0|0,1,1]=4 4292 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_100011356938_200000210301 [1,1,0,0,0,0|1,1,0]=4 4293 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_200000210301_100011356938 [1,1,0,0,0,0|1,1,0]=4 4294 B11R1.280 COc1ccc(c(c1)SC)F 62a_100000699733_200000210301 [1,1,0,0,0,0|1,1,0]=4 4295 B11R1.280 COc1ccc(c(c1)SC)F 62a_200000210301_100000699733 [1,1,0,0,0,0|1,1,0]=4 4296 B11R1.280 COc1ccc(c(c1)SC)N 62a_100015195136_200000210301 [1,1,0,0,0,0|1,1,0]=4 4297 B11R1.280 COc1ccc(c(c1)SC)N 62a_200000210301_100015195136 [1,1,0,0,0,0|1,1,0]=4 4298 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [1,1,0,0,0,0|0,1,1]=4 4299 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_100009992028_200025704644 [1,1,0,0,0,0|1,1,0]=4 4300 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100009992028 [1,1,0,0,0,0|1,1,0]=4 4301 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_100012349166_200025704644 [1,1,0,0,0,0|0,1,1]=4 4302 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_200025704644_100012349166 [1,1,0,0,0,0|0,1,1]=4 4303 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_100011356938_200025704644 [1,1,0,0,0,0|1,1,0]=4 4304 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011356938 [1,1,0,0,0,0|1,1,0]=4 4305 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_100000699733_200025704644 [1,1,0,0,0,0|1,1,0]=4 4306 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000699733 [1,1,0,0,0,0|1,1,0]=4 4307 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_100015195136_200025704644 [1,1,0,0,0,0|1,1,0]=4 4308 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_200025704644_100015195136 [1,1,0,0,0,0|1,1,0]=4 4309 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [1,1,0,0,0,0|0,1,1]=4 4310 B11R1.280 COc1ccc(c(n1)CO)O 271570a_203496583355_100010069746 [1,1,0,0,0,0|1,0,1]=4 4311 B11R1.280 COc1ccc(c(n1)OC)O 271570a_203496583355_100009816055 [1,1,0,0,0,0|1,0,1]=4 4312 B11R1.280 CSc1ccc(c(c1)CO)Br 62a_100012359683_200000210301 [1,1,0,0,0,0|1,1,0]=4 4313 B11R1.280 CSc1ccc(c(c1)CO)Br 62a_200000210301_100012359683 [1,1,0,0,0,0|1,1,0]=4 4314 B11R1.280 CSc1ccc(c(c1)CO)C 62a_100000700630_200000210301 [1,1,0,0,0,0|0,1,1]=4 4315 B11R1.280 CSc1ccc(c(c1)CO)C 62a_200000210301_100000700630 [1,1,0,0,0,0|0,1,1]=4 4316 B11R1.280 CSc1ccc(c(c1)CO)Cl 62a_100010128486_200000210301 [1,1,0,0,0,0|1,1,0]=4 4317 B11R1.280 CSc1ccc(c(c1)CO)Cl 62a_200000210301_100010128486 [1,1,0,0,0,0|1,1,0]=4 4318 B11R1.280 CSc1ccc(c(c1)CO)F 62a_100000246282_200000210301 [1,1,0,0,0,0|1,1,0]=4 4319 B11R1.280 CSc1ccc(c(c1)CO)F 62a_200000210301_100000246282 [1,1,0,0,0,0|1,1,0]=4 4320 B11R1.280 CSc1ccc(c(c1)CO)N 62a_100012353972_200000210301 [1,1,0,0,0,0|1,1,0]=4 4321 B11R1.280 CSc1ccc(c(c1)CO)N 62a_200000210301_100012353972 [1,1,0,0,0,0|1,1,0]=4 4322 B11R1.280 CSc1ccc(c(c1)CO)O 62a_100000184703_200000210301 [1,1,0,0,0,0|0,1,1]=4 4323 B11R1.280 CSc1ccc(c(c1)CO)O 62a_200000210301_100000184703 [1,1,0,0,0,0|0,1,1]=4 4324 B11R1.280 Cc1ccc(cc1CN)O[13CH3] 34a_200009844824_200025704644 [1,1,0,0,0,0|1,0,1]=4 4325 B11R1.280 Cc1ccc(cc1CO)O[13CH3] 34a_100009878257_200025704644 [1,1,0,0,0,0|0,0,1]=3 4326 B11R1.280 Cc1ccc(cc1CO)O[13CH3] 7a_100009878257_200025704644 [1,1,0,0,0,0|0,0,1]=3 4327 B11R1.280 Cc1ccc(cc1CO)S[13CH3] 62a_100000700630_200025704644 [1,1,0,0,0,0|0,1,1]=4 4328 B11R1.280 Cc1ccc(cc1CO)S[13CH3] 62a_200025704644_100000700630 [1,1,0,0,0,0|0,1,1]=4 4329 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Br 2230a_100012347228_200025704644 [1,1,0,0,0,0|2,0,0]=4 4330 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Br 34a_100012347228_200025704644 [1,1,0,0,0,0|2,0,0]=4 4331 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Cl 2230a_100011273577_200025704644 [1,1,0,0,0,0|2,0,0]=4 4332 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Cl 34a_100011273577_200025704644 [1,1,0,0,0,0|2,0,0]=4 4333 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)F 34a_100011218011_200025704644 [1,1,0,0,0,0|2,0,0]=4 4334 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)Br 34a_100009818209_200025704644 [1,1,0,0,0,0|2,0,0]=4 4335 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)Br 7a_100009818209_200025704644 [1,1,0,0,0,0|2,0,0]=4 4336 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)Cl 34a_100000092820_200025704644 [1,1,0,0,0,0|2,0,0]=4 4337 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)Cl 7a_100000092820_200025704644 [1,1,0,0,0,0|2,0,0]=4 4338 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)F 34a_100000070142_200025704644 [1,1,0,0,0,0|2,0,0]=4 4339 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)F 7a_100000070142_200025704644 [1,1,0,0,0,0|2,0,0]=4 4340 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)N 34a_200011997737_200025704644 [1,1,0,0,0,0|2,0,0]=4 4341 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)N 7a_200011997737_200025704644 [1,1,0,0,0,0|2,0,0]=4 4342 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Br 34a_100012351483_200025704644 [1,1,0,0,0,0|1,0,0]=3 4343 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Br 7a_100012351483_200025704644 [1,1,0,0,0,0|1,0,0]=3 4344 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Cl 34a_100000091669_200025704644 [1,1,0,0,0,0|1,0,0]=3 4345 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Cl 7a_100000091669_200025704644 [1,1,0,0,0,0|1,0,0]=3 4346 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Br 62a_100012359683_200025704644 [1,1,0,0,0,0|1,1,0]=4 4347 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Br 62a_200025704644_100012359683 [1,1,0,0,0,0|1,1,0]=4 4348 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Cl 62a_100010128486_200025704644 [1,1,0,0,0,0|1,1,0]=4 4349 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Cl 62a_200025704644_100010128486 [1,1,0,0,0,0|1,1,0]=4 4350 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)F 62a_100000246282_200025704644 [1,1,0,0,0,0|1,1,0]=4 4351 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)F 62a_200025704644_100000246282 [1,1,0,0,0,0|1,1,0]=4 4352 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)N 62a_100012353972_200025704644 [1,1,0,0,0,0|1,1,0]=4 4353 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)N 62a_200025704644_100012353972 [1,1,0,0,0,0|1,1,0]=4 4354 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_100000184703_200025704644 [1,1,0,0,0,0|0,1,1]=4 4355 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_200025704644_100000184703 [1,1,0,0,0,0|0,1,1]=4 4356 B13R1.38 C=Cc1ccc(cc1O)C(C)(C)C 271570a_100011290941_100010201833 [0,2,0,0,0,0|2,0,0]=4 4357 B13R1.38 CC(C)(C)c1ccc(c(c1)O)C=O 271570a_203496583355_100010630849 [0,2,0,0,0,0|1,0,0]=3 4358 B13R1.38 CS(=O)(=O)c1ccc(c(c1)O)C=O 271570a_203496583355_200000036326 [0,2,0,0,0,0|0,1,0]=3 4359 B13R1.38 O=Cc1ccc(cc1O)C(F)(F)F 271570a_203496583355_100009888975 [0,2,0,0,0,0|2,0,0]=4 4360 B13R1.120 C=C(C)c1ccc(c(c1)Br)C(=O)N 271570a_100000694244_200010146565 [0,2,0,0,0,0|2,0,0]=4 4361 B13R1.120 C=C(C)c1ccc(c(c1)C)C(=O)C 271570a_100000694244_100012360112 [0,2,0,0,0,0|2,0,0]=4 4362 B13R1.120 C=C(C)c1ccc(c(c1)C)C(=O)N 271570a_100000694244_100011327924 [0,2,0,0,0,0|2,0,0]=4 4363 B13R1.120 C=C(C)c1ccc(c(c1)F)C(=O)C 271570a_100000694244_100000690205 [0,2,0,0,0,0|2,0,0]=4 4364 B13R1.120 C=C(C)c1ccc(c(c1)F)C(=O)N 271570a_100000694244_100000216903 [0,2,0,0,0,0|2,0,0]=4 4365 B13R1.120 C=C(C)c1ccc(c(c1)N)C(=O)C 271570a_100000694244_100011590516 [0,2,0,0,0,0|2,0,0]=4 4366 B13R1.120 C=C(C)c1ccc(c(c1)N)C(=O)N 271570a_100000694244_100012349972 [0,2,0,0,0,0|2,0,0]=4 4367 B13R1.120 C=C(C)c1ccc(c(c1)O)C(=O)C 271570a_100000694244_100000188348 [0,2,0,0,0,0|1,0,0]=3 4368 B13R1.120 C=C(C)c1ccc(c(c1)O)C(=O)N 271570a_100000694244_100011550861 [0,2,0,0,0,0|1,0,0]=3 4369 B13R1.120 CC(=O)c1ccc(c(c1)O)[N+](=O)[O-] 1458a_100000195568_200000210301 [0,2,0,0,0,0|2,0,0]=4 4370 B13R1.120 CC(=O)c1ccc(cc1F)C(C)C 1458a_100011941423_200000210301 [0,2,0,0,0,0|2,0,0]=4 4371 B13R1.120 CC(=O)c1ccc(cc1F)N(C)C 27a_100102631434_100000690205 [0,2,0,0,0,0|2,0,0]=4 4372 B13R1.120 CC(=O)c1ccc(cc1O)N(C)C 1458a_200000073653_200000210301 [0,2,0,0,0,0|1,0,0]=3 4373 B13R1.120 CC(=O)c1ccc(cc1O)[N+](=O)[O-] 1458a_100000746214_200000210301 [0,2,0,0,0,0|2,0,0]=4 4374 B13R1.120 CC(C)c1ccc(c(c1)F)C(=O)[13CH3] 1458a_100011941423_200025704644 [0,2,0,0,0,0|2,0,0]=4 4375 B13R1.120 CN(C)c1ccc(c(c1)Br)C(=O)N 27a_100102631434_200010146565 [0,2,0,0,0,0|2,0,0]=4 4376 B13R1.120 CN(C)c1ccc(c(c1)F)C(=O)N 27a_100102631434_100000216903 [0,2,0,0,0,0|2,0,0]=4 4377 B13R1.120 CN(C)c1ccc(c(c1)O)C(=O)[13CH3] 1458a_200000073653_200025704644 [0,2,0,0,0,0|1,0,0]=3 4378 B13R1.120 Cc1cc(ccc1C(=O)N)N(C)C 27a_100102631434_100011327924 [0,2,0,0,0,0|2,0,0]=4 4379 B13R1.120 [13CH3]C(=O)c1ccc(c(c1)O)[N+](=O)[O-] 1458a_100000195568_200025704644 [0,2,0,0,0,0|2,0,0]=4 4380 B13R1.120 [13CH3]C(=O)c1ccc(cc1O)[N+](=O)[O-] 1458a_100000746214_200025704644 [0,2,0,0,0,0|2,0,0]=4 4381 B13R1.652 C=C(C)c1cc(c(cc1C)C=O)C 271570a_100000694244_100012024176 [0,2,0,0,0,0|2,0,0]=4 4382 B13R1.652 C=C(C)c1cc(c(cc1C)C=O)F 271570a_100000694244_100010186291 [0,2,0,0,0,0|2,0,0]=4 4383 B13R1.652 C=C(C)c1cc(c(cc1C)C=O)O 271570a_100000694244_200010762526 [0,2,0,0,0,0|1,0,0]=3 4384 B13R1.652 C=C(C)c1cc(c(cc1C)OC)C 271570a_100000694244_100000698960 [0,2,0,0,0,0|2,0,0]=4 4385 B13R1.652 C=C(C)c1cc(c(cc1C)OC)F 271570a_100000694244_100010074640 [0,2,0,0,0,0|2,0,0]=4 4386 B13R1.652 C=C(C)c1cc(c(cc1Cl)OC)N 271570a_100000694244_100011011177 [0,2,0,0,0,0|2,0,0]=4 4387 B13R1.652 C=C(C)c1cc(c(cc1F)C=O)C 271570a_100000694244_100010186292 [0,2,0,0,0,0|2,0,0]=4 4388 B13R1.652 C=C(C)c1cc(c(cc1F)C=O)F 271570a_100000694244_100011998483 [0,2,0,0,0,0|2,0,0]=4 4389 B13R1.652 C=C(C)c1cc(c(cc1F)C=O)O 271570a_100000694244_200010762562 [0,2,0,0,0,0|1,0,0]=3 4390 B13R1.652 C=C(C)c1cc(c(cc1F)OC)F 271570a_100000694244_100009813720 [0,2,0,0,0,0|2,0,0]=4 4391 B13R1.652 C=C(C)c1cc(c(cc1F)OC)N 271570a_100000694244_100012361397 [0,2,0,0,0,0|2,0,0]=4 4392 B13R1.652 C=C(C)c1cc(c(cc1N)OC)C 271570a_100000694244_100010244135 [0,2,0,0,0,0|2,0,0]=4 4393 B13R1.652 C=C(C)c1cc(c(cc1N)OC)F 271570a_100000694244_100010208193 [0,2,0,0,0,0|2,0,0]=4 4394 B13R1.652 C=C(C)c1cc(c(cc1O)C=O)O 271570a_100000694244_100010888506 [0,2,0,0,0,0|1,0,0]=3 4395 B13R1.652 C=Cc1cc(c(cc1C)C(=O)C)O 271570a_100011290941_100009816031 [0,2,0,0,0,0|1,0,1]=4 4396 B13R1.652 C=Cc1cc(c(cc1F)C(=O)C)O 271570a_100011290941_200010245088 [0,2,0,0,0,0|1,0,1]=4 4397 B13R1.652 CC(=O)c1cc(c(cc1F)S[13CH3])F 62a_100012024335_200025704644 [0,2,0,0,0,0|1,1,0]=4 4398 B13R1.652 CC(=O)c1cc(c(cc1O)S[13CH3])C 62a_100009816031_200025704644 [0,2,0,0,0,0|0,1,0]=3 4399 B13R1.652 CC(=O)c1cc(c(cc1O)S[13CH3])F 62a_200010245088_200025704644 [0,2,0,0,0,0|0,1,0]=3 4400 B13R1.652 CNc1cc(c(cc1F)C(=O)N)F 27a_100102657272_100010244962 [0,2,0,0,0,0|2,0,0]=4 4401 B13R1.652 COc1cc(c(cc1Br)C(=O)C)C 1458a_100010233827_200000210301 [0,2,0,0,0,0|1,0,0]=3 4402 B13R1.652 COc1cc(c(cc1Br)C(=O)C)F 1458a_100010270082_200000210301 [0,2,0,0,0,0|1,0,0]=3 4403 B13R1.652 COc1cc(c(cc1Br)C(=O)C)O 1458a_100009816734_200000210301 [0,2,0,0,0,0|0,0,0]=2 4404 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100010233827_200025704644 [0,2,0,0,0,0|1,0,0]=3 4405 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])F 1458a_100010270082_200025704644 [0,2,0,0,0,0|1,0,0]=3 4406 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100009816734_200025704644 [0,2,0,0,0,0|0,0,0]=2 4407 B13R1.652 COc1cc(c(cc1Br)[N+](=O)[O-])C 7a_200012359939_200000210301 [0,2,0,0,0,0|2,0,0]=4 4408 B13R1.652 COc1cc(c(cc1C)C(=O)C)C 1458a_100011996352_200000210301 [0,2,0,0,0,0|1,0,0]=3 4409 B13R1.652 COc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011996352_200025704644 [0,2,0,0,0,0|1,0,0]=3 4410 B13R1.652 COc1cc(c(cc1C)[N+](=O)[O-])C 7a_100000736305_200000210301 [0,2,0,0,0,0|2,0,0]=4 4411 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])C 34a_200000693809_200000210301 [0,2,0,0,0,0|2,0,0]=4 4412 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])C 7a_200000693809_200000210301 [0,2,0,0,0,0|2,0,0]=4 4413 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_200000210301 [0,2,0,0,0,0|2,0,0]=4 4414 B13R1.652 COc1cc(c(cc1F)C(=O)C)F 1458a_100009861218_200000210301 [0,2,0,0,0,0|1,0,0]=3 4415 B13R1.652 COc1cc(c(cc1F)C(=O)[13CH3])F 1458a_100009861218_200025704644 [0,2,0,0,0,0|1,0,0]=3 4416 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])Cl 34a_100015761126_200000210301 [0,2,0,0,0,0|2,0,0]=4 4417 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_200000210301 [0,2,0,0,0,0|2,0,0]=4 4418 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000042863_200000210301 [0,2,0,0,0,0|2,0,0]=4 4419 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_200000210301 [0,2,0,0,0,0|2,0,0]=4 4420 B13R1.652 COc1cc(c(cc1N)[N+](=O)[O-])F 34a_200015898590_200000210301 [0,2,0,0,0,0|2,0,0]=4 4421 B13R1.652 COc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_200000210301 [0,2,0,0,0,0|2,0,0]=4 4422 B13R1.652 COc1cc(c(cc1O)C(=O)C)Br 1458a_100010074811_200000210301 [0,2,0,0,0,0|1,0,0]=3 4423 B13R1.652 COc1cc(c(cc1O)C(=O)C)O 271570a_203496583355_100009813116 [0,2,0,0,0,0|0,0,0]=2 4424 B13R1.652 COc1cc(c(cc1O)C(=O)[13CH3])Br 1458a_100010074811_200025704644 [0,2,0,0,0,0|1,0,0]=3 4425 B13R1.652 CSc1cc(c(cc1C)C(=O)C)O 62a_100009816031_200000210301 [0,2,0,0,0,0|0,1,0]=3 4426 B13R1.652 CSc1cc(c(cc1F)C(=O)C)F 62a_100012024335_200000210301 [0,2,0,0,0,0|1,1,0]=4 4427 B13R1.652 CSc1cc(c(cc1F)C(=O)C)O 62a_200010245088_200000210301 [0,2,0,0,0,0|0,1,0]=3 4428 B13R1.652 CSc1cc(c(cc1F)C(=O)N)F 62a_100010244962_200000210301 [0,2,0,0,0,0|1,1,0]=4 4429 B13R1.652 CSc1cc(c(cc1F)C(=O)N)F 62a_200000210301_100010244962 [0,2,0,0,0,0|1,1,0]=4 4430 B13R1.652 Cc1cc(c(cc1O[13CH3])C)[N+](=O)[O-] 7a_100000736305_200025704644 [0,2,0,0,0,0|2,0,0]=4 4431 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Br)O[13CH3] 7a_200012359939_200025704644 [0,2,0,0,0,0|2,0,0]=4 4432 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Cl)O[13CH3] 34a_200000693809_200025704644 [0,2,0,0,0,0|2,0,0]=4 4433 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Cl)O[13CH3] 7a_200000693809_200025704644 [0,2,0,0,0,0|2,0,0]=4 4434 B13R1.652 [13CH3]Oc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_200025704644 [0,2,0,0,0,0|2,0,0]=4 4435 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])Cl 34a_100015761126_200025704644 [0,2,0,0,0,0|2,0,0]=4 4436 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_200025704644 [0,2,0,0,0,0|2,0,0]=4 4437 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000042863_200025704644 [0,2,0,0,0,0|2,0,0]=4 4438 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_200025704644 [0,2,0,0,0,0|2,0,0]=4 4439 B13R1.652 [13CH3]Oc1cc(c(cc1N)[N+](=O)[O-])F 34a_200015898590_200025704644 [0,2,0,0,0,0|2,0,0]=4 4440 B13R1.652 [13CH3]Oc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_200025704644 [0,2,0,0,0,0|2,0,0]=4 4441 B13R1.652 [13CH3]Sc1cc(c(cc1F)C(=O)N)F 62a_100010244962_200025704644 [0,2,0,0,0,0|1,1,0]=4 4442 B13R1.652 [13CH3]Sc1cc(c(cc1F)C(=O)N)F 62a_200025704644_100010244962 [0,2,0,0,0,0|1,1,0]=4 4443 B13R1.3088 C=Cc1ccc(cc1Br)C(=O)OC 271570a_100011290941_100011294788 [0,2,0,0,0,0|2,0,0]=4 4444 B13R1.3088 C=Cc1ccc(cc1C)C(=O)OC 271570a_100011290941_100011215878 [0,2,0,0,0,0|2,0,0]=4 4445 B13R1.3088 C=Cc1ccc(cc1Cl)C(=O)OC 271570a_100011290941_100012356344 [0,2,0,0,0,0|2,0,0]=4 4446 B13R1.3088 C=Cc1ccc(cc1F)C(=O)OC 271570a_100011290941_100000703229 [0,2,0,0,0,0|2,0,0]=4 4447 B13R1.3088 C=Cc1ccc(cc1N)C(=O)OC 271570a_100011290941_100011450966 [0,2,0,0,0,0|2,0,0]=4 4448 B13R1.3088 C=Cc1ccc(cc1O)C(=O)OC 271570a_100011290941_100012350776 [0,2,0,0,0,0|1,0,0]=3 4449 B13R1.3088 C=Cc1ccc(nc1O)C(=O)OC 271570a_100011290941_100010189637 [0,2,0,0,0,0|2,0,0]=4 4450 B13R1.3088 C=Cc1ncc(cc1O)C(=O)OC 271570a_100011290941_100010999399 [0,2,0,0,0,0|2,0,0]=4 4451 B13R1.3088 CCc1ccc(cc1O)C(=O)OC 271570a_203496583355_200012360130 [0,2,0,0,0,0|1,0,1]=4 4452 B13R1.3088 COC(=O)c1ccc(c(c1)O)C#N 271570a_203496583355_100009861381 [0,2,0,0,0,0|1,0,1]=4 4453 B13R1.3088 COC(=O)c1ccc(c(c1)O)C=O 271570a_203496583355_100012179231 [0,2,0,0,0,0|0,0,0]=2 4454 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO 271570a_203496583355_100012355398 [0,2,0,0,0,0|0,0,2]=4 4455 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100000189012 [0,2,0,0,0,0|2,0,0]=4 4456 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_100012350776_200000210301 [0,2,0,0,0,0|2,0,0]=4 4457 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_200000210301_100012350776 [0,2,0,0,0,0|2,0,0]=4 4458 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_100012350776_200025704644 [0,2,0,0,0,0|2,0,0]=4 4459 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012350776 [0,2,0,0,0,0|2,0,0]=4 4460 B13R1.3091 C=C(C)c1ccc(c(c1)C#N)C=O 271570a_100000694244_100012001787 [0,2,0,0,0,0|2,0,0]=4 4461 B13R1.3091 C=C(C)c1ccc(c(c1)C=O)C=O 271570a_100000694244_200010077131 [0,2,0,0,0,0|1,0,1]=4 4462 B13R1.3091 C=C(C)c1ccc(c(c1)CC)C=O 271570a_100000694244_100010209654 [0,2,0,0,0,0|2,0,0]=4 4463 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C=O 271570a_100000694244_100000697075 [0,2,0,0,0,0|1,0,0]=3 4464 B13R1.3091 C=C(C)c1ccc(c(n1)OC)C=O 271570a_100000694244_100009864722 [0,2,0,0,0,0|2,0,0]=4 4465 B13R1.3091 C=C(C)c1cnc(c(c1)OC)C=O 271570a_100000694244_100010246152 [0,2,0,0,0,0|2,0,0]=4 4466 B13R1.3091 C=Cc1cc(ccc1C=O)C(C)C 271570a_100011290941_100010158967 [0,2,0,0,0,0|2,0,0]=4 4467 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)C 271570a_100011290941_100010110075 [0,2,0,0,0,0|2,0,0]=4 4468 B13R1.3091 C=Cc1ccc(cc1OC)C(C)C 271570a_100011290941_100021623167 [0,2,0,0,0,0|2,0,0]=4 4469 B13R1.3091 CC(C)c1ccc(c(c1)S[13CH3])C=O 62a_100010158967_200025704644 [0,2,0,0,0,0|1,1,0]=4 4470 B13R1.3091 CC(C)c1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100010158967 [0,2,0,0,0,0|1,1,0]=4 4471 B13R1.3091 CSc1cc(ccc1C=O)C(C)C 62a_100010158967_200000210301 [0,2,0,0,0,0|1,1,0]=4 4472 B13R1.3091 CSc1cc(ccc1C=O)C(C)C 62a_200000210301_100010158967 [0,2,0,0,0,0|1,1,0]=4 4473 B13R1.3096 C=C(C)c1ccc(c(c1C)C)OC 271570a_100000694244_100000049725 [0,2,0,0,0,0|2,0,0]=4 4474 B13R1.3096 C=C(C)c1ccc(c(c1C)F)C=O 271570a_100000694244_100015546853 [0,2,0,0,0,0|2,0,0]=4 4475 B13R1.3096 C=C(C)c1ccc(c(c1F)F)C=O 271570a_100000694244_100010209662 [0,2,0,0,0,0|2,0,0]=4 4476 B13R1.3096 C=C(C)c1ccc(c(c1F)F)OC 271570a_100000694244_100009816879 [0,2,0,0,0,0|2,0,0]=4 4477 B13R1.3096 C=C(C)c1ccc(c(c1F)O)C=O 271570a_100000694244_100010762540 [0,2,0,0,0,0|1,0,0]=3 4478 B13R1.3096 CC(=O)c1ccc(c(c1F)F)S[13CH3] 62a_100010174444_200025704644 [0,2,0,0,0,0|1,1,0]=4 4479 B13R1.3096 CC(=O)c1ccc(c(c1F)F)S[13CH3] 62a_200025704644_100010174444 [0,2,0,0,0,0|1,1,0]=4 4480 B13R1.3096 COc1ccc(c(c1C)C)C(=O)C 1458a_200000082569_200000210301 [0,2,0,0,0,0|1,0,0]=3 4481 B13R1.3096 COc1ccc(c(c1C)C)C(=O)[13CH3] 1458a_200000082569_200025704644 [0,2,0,0,0,0|1,0,0]=3 4482 B13R1.3096 COc1ccc(c(c1C)C)[N+](=O)[O-] 34a_100011217262_200000210301 [0,2,0,0,0,0|2,0,0]=4 4483 B13R1.3096 COc1ccc(c(c1C)C)[N+](=O)[O-] 7a_100011217262_200000210301 [0,2,0,0,0,0|2,0,0]=4 4484 B13R1.3096 COc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 34a_200012362477_200000210301 [0,2,0,0,0,0|2,0,0]=4 4485 B13R1.3096 COc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 7a_200012362477_200000210301 [0,2,0,0,0,0|2,0,0]=4 4486 B13R1.3096 COc1ccc(c(c1F)Cl)[N+](=O)[O-] 34a_100015974733_200000210301 [0,2,0,0,0,0|2,0,0]=4 4487 B13R1.3096 COc1ccc(c(c1F)Cl)[N+](=O)[O-] 7a_100015974733_200000210301 [0,2,0,0,0,0|2,0,0]=4 4488 B13R1.3096 COc1ccc(c(c1F)F)C(=O)C 1458a_100000061877_200000210301 [0,2,0,0,0,0|1,0,0]=3 4489 B13R1.3096 COc1ccc(c(c1F)F)C(=O)[13CH3] 1458a_100000061877_200025704644 [0,2,0,0,0,0|1,0,0]=3 4490 B13R1.3096 COc1ccc(c(c1F)F)[N+](=O)[O-] 34a_100012186193_200000210301 [0,2,0,0,0,0|2,0,0]=4 4491 B13R1.3096 COc1ccc(c(c1F)F)[N+](=O)[O-] 7a_100012186193_200000210301 [0,2,0,0,0,0|2,0,0]=4 4492 B13R1.3096 COc1ccc(c(c1O)N)C(=O)C 271570a_203496583355_100010236346 [0,2,0,0,0,0|1,0,0]=3 4493 B13R1.3096 COc1ccc(c(c1O)O)C(=O)C 1458a_100000045701_200000210301 [0,2,0,0,0,0|0,0,0]=2 4494 B13R1.3096 COc1ccc(c(c1O)O)C(=O)[13CH3] 1458a_100000045701_200025704644 [0,2,0,0,0,0|0,0,0]=2 4495 B13R1.3096 CSc1ccc(c(c1F)F)C(=O)C 62a_100010174444_200000210301 [0,2,0,0,0,0|1,1,0]=4 4496 B13R1.3096 CSc1ccc(c(c1F)F)C(=O)C 62a_200000210301_100010174444 [0,2,0,0,0,0|1,1,0]=4 4497 B13R1.3096 Cc1c(ccc(c1C)[N+](=O)[O-])O[13CH3] 34a_100011217262_200025704644 [0,2,0,0,0,0|2,0,0]=4 4498 B13R1.3096 Cc1c(ccc(c1C)[N+](=O)[O-])O[13CH3] 7a_100011217262_200025704644 [0,2,0,0,0,0|2,0,0]=4 4499 B13R1.3096 [13CH3]Oc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 34a_200012362477_200025704644 [0,2,0,0,0,0|2,0,0]=4 4500 B13R1.3096 [13CH3]Oc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 7a_200012362477_200025704644 [0,2,0,0,0,0|2,0,0]=4 4501 B13R1.3096 [13CH3]Oc1ccc(c(c1F)Cl)[N+](=O)[O-] 34a_100015974733_200025704644 [0,2,0,0,0,0|2,0,0]=4 4502 B13R1.3096 [13CH3]Oc1ccc(c(c1F)Cl)[N+](=O)[O-] 7a_100015974733_200025704644 [0,2,0,0,0,0|2,0,0]=4 4503 B13R1.3096 [13CH3]Oc1ccc(c(c1F)F)[N+](=O)[O-] 34a_100012186193_200025704644 [0,2,0,0,0,0|2,0,0]=4 4504 B13R1.3096 [13CH3]Oc1ccc(c(c1F)F)[N+](=O)[O-] 7a_100012186193_200025704644 [0,2,0,0,0,0|2,0,0]=4 4505 B13R1.3380 C=C(C)c1cc(c(c(c1)C)C=O)C 271570a_100000694244_100010238521 [0,2,0,0,0,0|2,0,0]=4 4506 B13R1.3380 C=C(C)c1cc(c(c(c1)Cl)C=O)Cl 271570a_100000694244_200011001975 [0,2,0,0,0,0|2,0,0]=4 4507 B13R1.3380 C=C(C)c1cc(c(c(c1)F)C=O)F 271570a_100000694244_100000036707 [0,2,0,0,0,0|2,0,0]=4 4508 B13R1.3380 C=C(C)c1cc(c(c(c1)F)C=O)O 271570a_100000694244_100010762571 [0,2,0,0,0,0|1,0,0]=3 4509 B13R1.99 C=C(C)c1ccc(cc1C#N)OC 271570a_100000694244_100000748272 [0,2,0,0,0,0|2,0,0]=4 4510 B13R1.99 C=C(C)c1ccc(cc1C=O)OC 271570a_100000694244_100000691568 [0,2,0,0,0,0|1,0,1]=4 4511 B13R1.99 C=C(C)c1ccc(cc1CC)OC 271570a_100000694244_100000720562 [0,2,0,0,0,0|2,0,0]=4 4512 B13R1.99 C=C(C)c1ccc(cc1CN)OC 271570a_100000694244_100000741592 [0,2,0,0,0,0|2,0,0]=4 4513 B13R1.99 C=C(C)c1ccc(cc1CO)OC 271570a_100000694244_200011273942 [0,2,0,0,0,0|1,0,0]=3 4514 B13R1.99 C=C(C)c1ccc(cc1OC)CC 271570a_100000694244_200010710389 [0,2,0,0,0,0|2,0,0]=4 4515 B13R1.99 C=C(C)c1ccc(cc1OC)OC 271570a_100000694244_100000750026 [0,2,0,0,0,0|1,0,0]=3 4516 B13R1.99 C=C(C)c1ccc(nc1CO)OC 271570a_100000694244_100010069746 [0,2,0,0,0,0|2,0,0]=4 4517 B13R1.99 C=C(C)c1ccc(nc1OC)OC 271570a_100000694244_100009816055 [0,2,0,0,0,0|2,0,0]=4 4518 B13R1.99 C=C(C)c1cnc(cc1CO)OC 271570a_100000694244_100012343675 [0,2,0,0,0,0|2,0,0]=4 4519 B13R1.99 C=C(C)c1cnc(cc1OC)OC 271570a_100000694244_100010191559 [0,2,0,0,0,0|2,0,0]=4 4520 B13R1.99 C=Cc1cc(ccc1C(=O)C)OC 271570a_100011290941_100000697255 [0,2,0,0,0,0|1,0,0]=3 4521 B13R1.99 C=Cc1cc(ccc1C(=O)N)OC 271570a_100011290941_200009815664 [0,2,0,0,0,0|1,0,0]=3 4522 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)C 271570a_100011290941_100000709911 [0,2,0,0,0,0|1,0,1]=4 4523 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)N 271570a_100011290941_100000748320 [0,2,0,0,0,0|1,0,1]=4 4524 B13R1.99 CNc1ccc(c(c1)OC)[N+](=O)[O-] 2230a_102125277084_200000210301 [0,2,0,0,0,0|2,0,0]=4 4525 B13R1.99 CNc1ccc(c(c1)OC)[N+](=O)[O-] 34a_102125277084_200000210301 [0,2,0,0,0,0|2,0,0]=4 4526 B13R1.99 COc1cc(ccc1C(=O)C)C#N 1458a_100012002740_200000210301 [0,2,0,0,0,0|2,0,0]=4 4527 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 34a_100000116857_200025704644 [0,2,0,0,0,0|0,0,0]=2 4528 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 7a_100000116857_200025704644 [0,2,0,0,0,0|0,0,0]=2 4529 B13R1.99 COc1cc(ccc1C(=O)C)SC 1458a_100000211074_200000210301 [0,2,0,0,0,0|0,1,0]=3 4530 B13R1.99 COc1cc(ccc1C(=O)C)SC 62a_100000709911_200000210301 [0,2,0,0,0,0|0,1,0]=3 4531 B13R1.99 COc1cc(ccc1C(=O)C)S[13CH3] 62a_100000709911_200025704644 [0,2,0,0,0,0|0,1,0]=3 4532 B13R1.99 COc1cc(ccc1C(=O)N)SC 62a_100000748320_200000210301 [0,2,0,0,0,0|0,1,0]=3 4533 B13R1.99 COc1cc(ccc1C(=O)N)S[13CH3] 62a_100000748320_200025704644 [0,2,0,0,0,0|0,1,0]=3 4534 B13R1.99 COc1cc(ccc1C(=O)[13CH3])C#N 1458a_100012002740_200025704644 [0,2,0,0,0,0|2,0,0]=4 4535 B13R1.99 COc1cc(ccc1C(=O)[13CH3])SC 1458a_100000211074_200025704644 [0,2,0,0,0,0|0,1,0]=3 4536 B13R1.99 COc1cc(ccc1[N+](=O)[O-])N[13CH3] 2230a_102125277084_200025704644 [0,2,0,0,0,0|2,0,0]=4 4537 B13R1.99 COc1cc(ccc1[N+](=O)[O-])N[13CH3] 34a_102125277084_200025704644 [0,2,0,0,0,0|2,0,0]=4 4538 B13R1.99 COc1cc(ccc1[N+](=O)[O-])O[13CH3] 34a_100000723347_200025704644 [0,2,0,0,0,0|1,0,0]=3 4539 B13R1.99 COc1cc(ccc1[N+](=O)[O-])O[13CH3] 7a_100000723347_200025704644 [0,2,0,0,0,0|1,0,0]=3 4540 B13R1.99 COc1cc(cnc1C(=O)C)SC 62a_100010137934_200000210301 [0,2,0,0,0,0|1,1,0]=4 4541 B13R1.99 COc1cc(cnc1C(=O)C)SC 62a_200000210301_100010137934 [0,2,0,0,0,0|1,1,0]=4 4542 B13R1.99 COc1cc(cnc1C(=O)C)S[13CH3] 62a_100010137934_200025704644 [0,2,0,0,0,0|1,1,0]=4 4543 B13R1.99 COc1cc(cnc1C(=O)C)S[13CH3] 62a_200025704644_100010137934 [0,2,0,0,0,0|1,1,0]=4 4544 B13R1.99 COc1ccc(c(c1)CO)[N+](=O)[O-] 34a_100000032882_200000210301 [0,2,0,0,0,0|1,0,0]=3 4545 B13R1.99 COc1ccc(c(c1)CO)[N+](=O)[O-] 7a_100000032882_200000210301 [0,2,0,0,0,0|1,0,0]=3 4546 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 1458a_100000210807_200000210301 [0,2,0,0,0,0|0,0,0]=2 4547 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000116857_200000210301 [0,2,0,0,0,0|0,0,0]=2 4548 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000185565_200000210301 [0,2,0,0,0,0|0,0,0]=2 4549 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000116857_200000210301 [0,2,0,0,0,0|0,0,0]=2 4550 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000185565_200000210301 [0,2,0,0,0,0|0,0,0]=2 4551 B13R1.99 COc1ccc(c(c1)OC)C(=O)N 34a_100000185031_200000210301 [0,2,0,0,0,0|0,0,0]=2 4552 B13R1.99 COc1ccc(c(c1)OC)C(=O)N 7a_100000185031_200000210301 [0,2,0,0,0,0|0,0,0]=2 4553 B13R1.99 COc1ccc(c(c1)OC)C(=O)[13CH3] 1458a_100000210807_200025704644 [0,2,0,0,0,0|0,0,0]=2 4554 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] 34a_100000723347_200000210301 [0,2,0,0,0,0|1,0,0]=3 4555 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] 34a_100011219805_200000210301 [0,2,0,0,0,0|1,0,0]=3 4556 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] 7a_100000723347_200000210301 [0,2,0,0,0,0|1,0,0]=3 4557 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] 7a_100011219805_200000210301 [0,2,0,0,0,0|1,0,0]=3 4558 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 34a_100000185565_200025704644 [0,2,0,0,0,0|0,0,0]=2 4559 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 7a_100000185565_200025704644 [0,2,0,0,0,0|0,0,0]=2 4560 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)N 34a_100000185031_200025704644 [0,2,0,0,0,0|0,0,0]=2 4561 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)N 7a_100000185031_200025704644 [0,2,0,0,0,0|0,0,0]=2 4562 B13R1.99 COc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 34a_100011219805_200025704644 [0,2,0,0,0,0|1,0,0]=3 4563 B13R1.99 COc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 7a_100011219805_200025704644 [0,2,0,0,0,0|1,0,0]=3 4564 B13R1.99 COc1ccc(c(c1)SC)C(=O)C 62a_100000697255_200000210301 [0,2,0,0,0,0|0,1,0]=3 4565 B13R1.99 COc1ccc(c(c1)SC)C(=O)N 62a_200009815664_200000210301 [0,2,0,0,0,0|0,1,0]=3 4566 B13R1.99 COc1ccc(c(c1)S[13CH3])C(=O)C 62a_100000697255_200025704644 [0,2,0,0,0,0|0,1,0]=3 4567 B13R1.99 COc1ccc(c(c1)S[13CH3])C(=O)N 62a_200009815664_200025704644 [0,2,0,0,0,0|0,1,0]=3 4568 B13R1.99 [13CH3]Oc1ccc(c(c1)CO)[N+](=O)[O-] 34a_100000032882_200025704644 [0,2,0,0,0,0|1,0,0]=3 4569 B13R1.99 [13CH3]Oc1ccc(c(c1)CO)[N+](=O)[O-] 7a_100000032882_200025704644 [0,2,0,0,0,0|1,0,0]=3 4570 B13R1.355 C#Cc1ccc(cc1COC)OC 34a_200010997956_200000210301 [0,2,0,0,0,0|1,0,1]=4 4571 B13R1.355 C#Cc1ccc(cc1COC)OC 7a_200010997956_200000210301 [0,2,0,0,0,0|1,0,1]=4 4572 B13R1.355 C#Cc1ccc(cc1CO[13CH3])OC 34a_200010997956_200025704644 [0,2,0,0,0,0|1,0,1]=4 4573 B13R1.355 C#Cc1ccc(cc1CO[13CH3])OC 7a_200010997956_200025704644 [0,2,0,0,0,0|1,0,1]=4 4574 B13R1.355 C=C=Cc1cc(ccc1C=O)OC 271570a_100015277604_100000723261 [0,2,0,0,0,0|1,0,0]=3 4575 B13R1.355 C=C=Cc1cc(cnc1C=O)OC 271570a_100015277604_200010135874 [0,2,0,0,0,0|2,0,0]=4 4576 B13R1.355 C=C=Cc1nc(ccc1C=O)OC 271570a_100015277604_100012351648 [0,2,0,0,0,0|2,0,0]=4 4577 B13R1.355 C=Cc1ccc(cc1CC#N)OC 271570a_100011290941_100012259381 [0,2,0,0,0,0|2,0,0]=4 4578 B13R1.355 C=Cc1ccc(cc1CCO)OC 271570a_100011290941_100012259501 [0,2,0,0,0,0|1,0,0]=3 4579 B13R1.355 CC=Cc1cc(ccc1C=O)OC 271570a_100016259895_100000723261 [0,2,0,0,0,0|1,0,0]=3 4580 B13R1.355 CC=Cc1cc(cnc1C=O)OC 271570a_100016259895_200010135874 [0,2,0,0,0,0|2,0,0]=4 4581 B13R1.355 CC=Cc1nc(ccc1C=O)OC 271570a_100016259895_100012351648 [0,2,0,0,0,0|2,0,0]=4 4582 B13R1.355 CCOc1cc(ccc1C#N)OC 34a_100011999188_100000210202 [0,2,0,0,0,0|1,0,1]=4 4583 B13R1.355 CCOc1cc(ccc1C#N)OC 7a_100011999188_100000210202 [0,2,0,0,0,0|1,0,1]=4 4584 B13R1.355 CCOc1cc(ccc1N=O)OC 34a_200010658452_100000210202 [0,2,0,0,0,0|1,0,0]=3 4585 B13R1.355 CCOc1cc(ccc1N=O)OC 7a_200010658452_100000210202 [0,2,0,0,0,0|1,0,0]=3 4586 B13R1.355 CCOc1cc(ccc1OC)OC 34a_100000074795_100000210202 [0,2,0,0,0,0|2,0,0]=4 4587 B13R1.355 CCSc1cc(ccc1C=O)OC 62a_100000210202_100000723261 [0,2,0,0,0,0|0,1,0]=3 4588 B13R1.355 CCSc1cc(ccc1C=O)OC 62a_100000723261_100000210202 [0,2,0,0,0,0|0,1,0]=3 4589 B13R1.355 CCSc1cc(cnc1C=O)OC 62a_100000210202_200010135874 [0,2,0,0,0,0|1,1,0]=4 4590 B13R1.355 CCSc1cc(cnc1C=O)OC 62a_200010135874_100000210202 [0,2,0,0,0,0|1,1,0]=4 4591 B13R1.355 CCSc1nc(ccc1C=O)OC 62a_100000210202_100012351648 [0,2,0,0,0,0|1,1,0]=4 4592 B13R1.355 CCSc1nc(ccc1C=O)OC 62a_100012351648_100000210202 [0,2,0,0,0,0|1,1,0]=4 4593 B13R1.355 COCc1cc(ccc1OC)OC 34a_100000212306_200000210301 [0,2,0,0,0,0|2,0,0]=4 4594 B13R1.355 COCc1cc(ccc1OC)OC 34a_100138415774_100011233847 [0,2,0,0,0,0|2,0,0]=4 4595 B13R1.355 COc1ccc(c(c1)CCO)SC 62a_100012259501_200000210301 [0,2,0,0,0,0|2,0,0]=4 4596 B13R1.355 COc1ccc(c(c1)CCO)SC 62a_200000210301_100012259501 [0,2,0,0,0,0|2,0,0]=4 4597 B13R1.355 COc1ccc(c(c1)CCO)S[13CH3] 62a_100012259501_200025704644 [0,2,0,0,0,0|2,0,0]=4 4598 B13R1.355 COc1ccc(c(c1)CCO)S[13CH3] 62a_200025704644_100012259501 [0,2,0,0,0,0|2,0,0]=4 4599 B13R1.355 COc1ccc(c(c1)CO[13CH3])OC 34a_100000212306_200025704644 [0,2,0,0,0,0|2,0,0]=4 4600 B13R1.355 COc1ccc(c(c1)OCF)C#N 34a_100011999188_100015361967 [0,2,0,0,0,0|1,0,1]=4 4601 B13R1.355 COc1ccc(c(c1)OCF)C#N 7a_100011999188_100015361967 [0,2,0,0,0,0|1,0,1]=4 4602 B13R1.355 COc1ccc(c(c1)OCF)N=O 34a_200010658452_100015361967 [0,2,0,0,0,0|1,0,0]=3 4603 B13R1.355 COc1ccc(c(c1)OCF)N=O 7a_200010658452_100015361967 [0,2,0,0,0,0|1,0,0]=3 4604 B13R1.355 COc1ccc(c(c1)OCF)OC 34a_100000074795_100015361967 [0,2,0,0,0,0|2,0,0]=4 4605 B13R1.355 COc1ccc(c(c1)SCF)C=O 62a_100000723261_100015361967 [0,2,0,0,0,0|0,1,0]=3 4606 B13R1.355 COc1ccc(c(c1)SCF)C=O 62a_100015361967_100000723261 [0,2,0,0,0,0|0,1,0]=3 4607 B13R1.355 COc1ccc(c(n1)SCF)C=O 62a_100012351648_100015361967 [0,2,0,0,0,0|1,1,0]=4 4608 B13R1.355 COc1ccc(c(n1)SCF)C=O 62a_100015361967_100012351648 [0,2,0,0,0,0|1,1,0]=4 4609 B13R1.355 COc1cnc(c(c1)SCF)C=O 62a_100015361967_200010135874 [0,2,0,0,0,0|1,1,0]=4 4610 B13R1.355 COc1cnc(c(c1)SCF)C=O 62a_200010135874_100015361967 [0,2,0,0,0,0|1,1,0]=4 4611 B13R1.386 C=C=Cc1ccc(c(c1)OC)C=O 271570a_100015277604_100000697075 [0,2,0,0,0,0|1,0,1]=4 4612 B13R1.386 C=Cc1cc(ccc1C=O)OCC 271570a_100011290941_200012721597 [0,2,0,0,0,0|1,0,0]=3 4613 B13R1.386 C=Cc1ccc(cc1C=O)OCC 271570a_100011290941_100012345016 [0,2,0,0,0,0|1,0,1]=4 4614 B13R1.386 CC=Cc1ccc(c(c1)C#N)C=O 271570a_100016259895_100012001787 [0,2,0,0,0,0|2,0,0]=4 4615 B13R1.386 CC=Cc1ccc(c(c1)C=O)C=O 271570a_100016259895_200010077131 [0,2,0,0,0,0|1,0,1]=4 4616 B13R1.386 CC=Cc1ccc(c(c1)CC)C=O 271570a_100016259895_100010209654 [0,2,0,0,0,0|2,0,0]=4 4617 B13R1.386 CC=Cc1ccc(c(c1)OC)C=O 271570a_100016259895_100000697075 [0,2,0,0,0,0|1,0,0]=3 4618 B13R1.386 CC=Cc1ccc(c(n1)OC)C=O 271570a_100016259895_100009864722 [0,2,0,0,0,0|2,0,0]=4 4619 B13R1.386 CC=Cc1cnc(c(c1)OC)C=O 271570a_100016259895_100010246152 [0,2,0,0,0,0|2,0,0]=4 4620 B13R1.386 CCOc1ccc(c(c1)OC)CO 34a_200000116926_100000210202 [0,2,0,0,0,0|0,0,2]=4 4621 B13R1.386 CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210202 [0,2,0,0,0,0|2,0,0]=4 4622 B13R1.386 CCOc1ccc(c(c1)SC)C=O 62a_200000210301_200012721597 [0,2,0,0,0,0|0,1,0]=3 4623 B13R1.386 CCOc1ccc(c(c1)SC)C=O 62a_200012721597_200000210301 [0,2,0,0,0,0|0,1,0]=3 4624 B13R1.386 CCOc1ccc(c(c1)S[13CH3])C=O 62a_200012721597_200025704644 [0,2,0,0,0,0|0,1,0]=3 4625 B13R1.386 CCOc1ccc(c(c1)S[13CH3])C=O 62a_200025704644_200012721597 [0,2,0,0,0,0|0,1,0]=3 4626 B13R1.386 CCSc1cc(c(cn1)C=O)OC 62a_100000210202_100009846838 [0,2,0,0,0,0|1,1,0]=4 4627 B13R1.386 CCSc1cc(c(cn1)C=O)OC 62a_100009846838_100000210202 [0,2,0,0,0,0|1,1,0]=4 4628 B13R1.386 CCSc1ccc(c(c1)C#N)C=O 62a_100000210202_100012001787 [0,2,0,0,0,0|1,1,0]=4 4629 B13R1.386 CCSc1ccc(c(c1)C=O)C=O 62a_200010077131_100000210202 [0,2,0,0,0,0|0,1,1]=4 4630 B13R1.386 CCSc1ccc(c(c1)CC)C=O 62a_100000210202_100010209654 [0,2,0,0,0,0|1,1,0]=4 4631 B13R1.386 CCSc1ccc(c(c1)CC)C=O 62a_100010209654_100000210202 [0,2,0,0,0,0|1,1,0]=4 4632 B13R1.386 CCSc1ccc(c(c1)OC)C=O 62a_100000210202_100010290300 [0,2,0,0,0,0|0,1,0]=3 4633 B13R1.386 CCSc1ccc(c(c1)OC)C=O 62a_100000697075_100000210202 [0,2,0,0,0,0|0,1,0]=3 4634 B13R1.386 CCSc1ccc(c(n1)OC)C=O 62a_100000210202_100009864722 [0,2,0,0,0,0|1,1,0]=4 4635 B13R1.386 CCSc1ccc(c(n1)OC)C=O 62a_100009864722_100000210202 [0,2,0,0,0,0|1,1,0]=4 4636 B13R1.386 CCSc1cnc(c(c1)OC)C=O 62a_100000210202_100010246152 [0,2,0,0,0,0|1,1,0]=4 4637 B13R1.386 CCSc1cnc(c(c1)OC)C=O 62a_100010246152_100000210202 [0,2,0,0,0,0|1,1,0]=4 4638 B13R1.386 CCc1cc(ccc1C=O)SCF 62a_100010209654_100015361967 [0,2,0,0,0,0|1,1,0]=4 4639 B13R1.386 CCc1cc(ccc1C=O)SCF 62a_100015361967_100010209654 [0,2,0,0,0,0|1,1,0]=4 4640 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [0,2,0,0,0,0|2,0,0]=4 4641 B13R1.386 COc1cc(ccc1C=O)SCF 62a_100000697075_100015361967 [0,2,0,0,0,0|0,1,0]=3 4642 B13R1.386 COc1cc(ccc1C=O)SCF 62a_100015361967_100010290300 [0,2,0,0,0,0|0,1,0]=3 4643 B13R1.386 COc1cc(ccc1CO)OCF 34a_200000116926_100015361967 [0,2,0,0,0,0|0,0,2]=4 4644 B13R1.386 COc1cc(cnc1C=O)SCF 62a_100010246152_100015361967 [0,2,0,0,0,0|1,1,0]=4 4645 B13R1.386 COc1cc(cnc1C=O)SCF 62a_100015361967_100010246152 [0,2,0,0,0,0|1,1,0]=4 4646 B13R1.386 COc1cc(ncc1C=O)SCF 62a_100009846838_100015361967 [0,2,0,0,0,0|1,1,0]=4 4647 B13R1.386 COc1cc(ncc1C=O)SCF 62a_100015361967_100009846838 [0,2,0,0,0,0|1,1,0]=4 4648 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [0,2,0,0,0,0|2,0,0]=4 4649 B13R1.386 COc1ccc(cc1OC)OCF 34a_100000039706_100015361967 [0,2,0,0,0,0|2,0,0]=4 4650 B13R1.386 COc1nc(ccc1C=O)SCF 62a_100009864722_100015361967 [0,2,0,0,0,0|1,1,0]=4 4651 B13R1.386 COc1nc(ccc1C=O)SCF 62a_100015361967_100009864722 [0,2,0,0,0,0|1,1,0]=4 4652 B13R1.386 N#Cc1cc(ccc1C=O)SCF 62a_100015361967_100012001787 [0,2,0,0,0,0|1,1,0]=4 4653 B13R1.386 O=Cc1ccc(cc1C=O)SCF 62a_200010077131_100015361967 [0,2,0,0,0,0|0,1,1]=4 4654 B13R1.434 C=Cc1c(cc(cc1OC)OC)F 271570a_100011290941_200009812871 [0,2,0,0,0,0|1,0,0]=3 4655 B13R1.434 C=Cc1cc(c(c(c1)OC)C=O)F 271570a_100011290941_100010363811 [0,2,0,0,0,0|1,0,1]=4 4656 B13R1.434 C=Cc1cc(cc(c1C=O)F)OC 271570a_100011290941_200021118581 [0,2,0,0,0,0|1,0,0]=3 4657 B13R1.434 C=Cc1cc(cc(c1C=O)O)OC 271570a_100011290941_100010762613 [0,2,0,0,0,0|0,0,0]=2 4658 B13R1.434 C=Cc1cc(cc(c1OC)O)OC 271570a_100011290941_200020900881 [0,2,0,0,0,0|2,0,0]=4 4659 B13R1.434 CNc1c(cc(cc1OC)OC)Cl 34a_100000041261_200000210301 [0,2,0,0,0,0|2,0,0]=4 4660 B13R1.434 COc1cc(c(c(c1)OC)C=O)O 271570a_203496583355_100000688085 [0,2,0,0,0,0|0,0,0]=2 4661 B13R1.434 COc1cc(c(c(c1)OC)N[13CH3])Cl 34a_100000041261_200025704644 [0,2,0,0,0,0|2,0,0]=4 4662 B13R1.434 COc1cc(c(c(c1)OC)OC)Br 34a_200020900881_200000210301 [0,2,0,0,0,0|2,0,0]=4 4663 B13R1.434 COc1cc(c(c(c1)OC)SC)F 62a_200000210301_200009812871 [0,2,0,0,0,0|2,0,0]=4 4664 B13R1.434 COc1cc(c(c(c1)OC)SC)F 62a_200009812871_200000210301 [0,2,0,0,0,0|2,0,0]=4 4665 B13R1.434 COc1cc(c(c(c1)OC)S[13CH3])F 62a_200009812871_200025704644 [0,2,0,0,0,0|2,0,0]=4 4666 B13R1.434 COc1cc(c(c(c1)OC)S[13CH3])F 62a_200025704644_200009812871 [0,2,0,0,0,0|2,0,0]=4 4667 B13R1.434 COc1cc(c(c(c1)O[13CH3])OC)Br 34a_200020900881_200025704644 [0,2,0,0,0,0|2,0,0]=4 4668 B13R1.434 COc1cc(c(c(c1)SC)C=O)F 62a_200000210301_200021118581 [0,2,0,0,0,0|0,1,0]=3 4669 B13R1.434 COc1cc(c(c(c1)SC)C=O)F 62a_200021118581_200000210301 [0,2,0,0,0,0|0,1,0]=3 4670 B13R1.434 COc1cc(c(c(c1)SC)C=O)O 62a_200000210301_100010762613 [0,2,0,0,0,0|0,0,0]=2 4671 B13R1.434 COc1cc(c(c(c1)SC)OC)O 62a_200000210301_200020900881 [0,2,0,0,0,0|2,0,0]=4 4672 B13R1.434 COc1cc(c(c(c1)S[13CH3])C=O)F 62a_200021118581_200025704644 [0,2,0,0,0,0|0,1,0]=3 4673 B13R1.434 COc1cc(c(c(c1)S[13CH3])C=O)F 62a_200025704644_200021118581 [0,2,0,0,0,0|0,1,0]=3 4674 B13R1.434 COc1cc(c(c(c1)S[13CH3])C=O)O 62a_200025704644_100010762613 [0,2,0,0,0,0|0,0,0]=2 4675 B13R1.434 COc1cc(c(c(c1)S[13CH3])OC)O 62a_200025704644_200020900881 [0,2,0,0,0,0|2,0,0]=4 4676 B13R1.434 COc1cc(cc(c1C=O)F)SC 62a_100010363811_200000210301 [0,2,0,0,0,0|0,1,0]=3 4677 B13R1.434 COc1cc(cc(c1C=O)F)S[13CH3] 62a_100010363811_200025704644 [0,2,0,0,0,0|0,1,0]=3 4678 B13R1.434 COc1nc(c(c(n1)OC)C=O)O 271570a_203496583355_200010716937 [0,2,0,0,0,0|2,0,0]=4 4679 B13R1.1249 C=C=Cc1ccc(cc1C#N)OC 271570a_100015277604_100000748272 [0,2,0,0,0,0|2,0,0]=4 4680 B13R1.1249 C=C=Cc1ccc(cc1C=O)OC 271570a_100015277604_100000691568 [0,2,0,0,0,0|1,0,1]=4 4681 B13R1.1249 C=C=Cc1ccc(cc1CC)OC 271570a_100015277604_100000720562 [0,2,0,0,0,0|2,0,0]=4 4682 B13R1.1249 C=C=Cc1ccc(cc1CN)OC 271570a_100015277604_100000741592 [0,2,0,0,0,0|2,0,0]=4 4683 B13R1.1249 C=C=Cc1ccc(cc1CO)OC 271570a_100015277604_200011273942 [0,2,0,0,0,0|1,0,0]=3 4684 B13R1.1249 C=C=Cc1ccc(cc1OC)CC 271570a_100015277604_200010710389 [0,2,0,0,0,0|2,0,0]=4 4685 B13R1.1249 C=C=Cc1ccc(cc1OC)OC 271570a_100015277604_100000750026 [0,2,0,0,0,0|1,0,0]=3 4686 B13R1.1249 C=C=Cc1ccc(nc1CO)OC 271570a_100015277604_100010069746 [0,2,0,0,0,0|2,0,0]=4 4687 B13R1.1249 C=C=Cc1ccc(nc1OC)OC 271570a_100015277604_100009816055 [0,2,0,0,0,0|2,0,0]=4 4688 B13R1.1249 C=C=Cc1cnc(cc1CO)OC 271570a_100015277604_100012343675 [0,2,0,0,0,0|2,0,0]=4 4689 B13R1.1249 C=C=Cc1cnc(cc1OC)OC 271570a_100015277604_100010191559 [0,2,0,0,0,0|2,0,0]=4 4690 B13R1.1249 CC=Cc1ccc(cc1C#N)OC 271570a_100016259895_100000748272 [0,2,0,0,0,0|2,0,0]=4 4691 B13R1.1249 CC=Cc1ccc(cc1C=O)OC 271570a_100016259895_100000691568 [0,2,0,0,0,0|1,0,1]=4 4692 B13R1.1249 CC=Cc1ccc(cc1CC)OC 271570a_100016259895_100000720562 [0,2,0,0,0,0|2,0,0]=4 4693 B13R1.1249 CC=Cc1ccc(cc1CN)OC 271570a_100016259895_100000741592 [0,2,0,0,0,0|2,0,0]=4 4694 B13R1.1249 CC=Cc1ccc(cc1CO)OC 271570a_100016259895_200011273942 [0,2,0,0,0,0|1,0,0]=3 4695 B13R1.1249 CC=Cc1ccc(cc1OC)CC 271570a_100016259895_200010710389 [0,2,0,0,0,0|2,0,0]=4 4696 B13R1.1249 CC=Cc1ccc(cc1OC)OC 271570a_100016259895_100000750026 [0,2,0,0,0,0|1,0,0]=3 4697 B13R1.1249 CC=Cc1ccc(nc1CO)OC 271570a_100016259895_100010069746 [0,2,0,0,0,0|2,0,0]=4 4698 B13R1.1249 CC=Cc1ccc(nc1OC)OC 271570a_100016259895_100009816055 [0,2,0,0,0,0|2,0,0]=4 4699 B13R1.1249 CC=Cc1cnc(cc1CO)OC 271570a_100016259895_100012343675 [0,2,0,0,0,0|2,0,0]=4 4700 B13R1.1249 CC=Cc1cnc(cc1OC)OC 271570a_100016259895_100010191559 [0,2,0,0,0,0|2,0,0]=4 4701 B13R1.1249 CCNc1ccc(cc1CO)OC 34a_100012001277_100000210202 [0,2,0,0,0,0|1,0,1]=4 4702 B13R1.1249 CCNc1ccc(cc1OC)OC 2230a_100000211191_100000210202 [0,2,0,0,0,0|1,0,1]=4 4703 B13R1.1249 CCNc1ccc(cc1OC)OC 34a_100000211191_100000210202 [0,2,0,0,0,0|1,0,1]=4 4704 B13R1.1249 CCOc1ccc(cc1OC)OC 34a_100009840267_100000210202 [0,2,0,0,0,0|1,0,1]=4 4705 B13R1.1249 CCSc1ccc(cc1CO)OC 62a_100000210202_200011273942 [0,2,0,0,0,0|1,0,1]=4 4706 B13R1.1249 CCSc1ccc(cc1CO)OC 62a_200011273942_100000210202 [0,2,0,0,0,0|1,0,1]=4 4707 B13R1.1249 CCSc1ccc(cc1OC)OC 62a_100000210202_100000750026 [0,2,0,0,0,0|1,0,1]=4 4708 B13R1.1249 CCSc1ccc(cc1OC)OC 62a_100000750026_100000210202 [0,2,0,0,0,0|1,0,1]=4 4709 B13R1.1249 CNCc1ccc(cc1OC)OC 207a_100102657272_100000188320 [0,2,0,0,0,0|1,0,1]=4 4710 B13R1.1249 CNCc1ccc(cc1OC)OC 26a_100102657272_100009840267 [0,2,0,0,0,0|1,0,1]=4 4711 B13R1.1249 CNCc1ccc(cc1OC)OC 270004a_106832991635_100000188320 [0,2,0,0,0,0|1,0,1]=4 4712 B13R1.1249 CNCc1ccc(cc1OC)OC 34a_100000737765_200000210301 [0,2,0,0,0,0|1,0,1]=4 4713 B13R1.1249 COCc1ccc(cc1OC)OC 34a_100011218031_200000210301 [0,2,0,0,0,0|0,0,2]=4 4714 B13R1.1249 COCc1ccc(cc1OC)OC 7a_100011218031_200000210301 [0,2,0,0,0,0|0,0,2]=4 4715 B13R1.1249 COc1ccc(c(c1)CO)NCF 34a_100012001277_100015361967 [0,2,0,0,0,0|1,0,1]=4 4716 B13R1.1249 COc1ccc(c(c1)CO)SCF 62a_100015361967_200011273942 [0,2,0,0,0,0|1,0,1]=4 4717 B13R1.1249 COc1ccc(c(c1)CO)SCF 62a_200011273942_100015361967 [0,2,0,0,0,0|1,0,1]=4 4718 B13R1.1249 COc1ccc(c(c1)OC)CN[13CH3] 34a_100000737765_200025704644 [0,2,0,0,0,0|1,0,1]=4 4719 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 34a_100011218031_200025704644 [0,2,0,0,0,0|0,0,2]=4 4720 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 7a_100011218031_200025704644 [0,2,0,0,0,0|0,0,2]=4 4721 B13R1.1249 COc1ccc(c(c1)OC)NCF 34a_100000211191_100015361967 [0,2,0,0,0,0|1,0,1]=4 4722 B13R1.1249 COc1ccc(c(c1)OC)OCF 34a_100009840267_100015361967 [0,2,0,0,0,0|1,0,1]=4 4723 B13R1.1249 COc1ccc(c(c1)OC)SCF 62a_100000750026_100015361967 [0,2,0,0,0,0|1,0,1]=4 4724 B13R1.1249 COc1ccc(c(c1)OC)SCF 62a_100015361967_100000750026 [0,2,0,0,0,0|1,0,1]=4 4725 B13R1.2200 C=Cc1cc(c(cc1C=O)O)OC 271570a_100011290941_100000183646 [0,2,0,0,0,0|1,0,0]=3 4726 B13R1.2200 C=Cc1cc(c(cc1C=O)OC)F 271570a_100011290941_100010366953 [0,2,0,0,0,0|1,0,1]=4 4727 B13R1.2200 C=Cc1cc(c(cc1C=O)OC)O 271570a_100011290941_100000741691 [0,2,0,0,0,0|1,0,1]=4 4728 B13R1.2200 C=Cc1cc(c(cc1F)OC)OC 271570a_100011290941_200011765842 [0,2,0,0,0,0|2,0,0]=4 4729 B13R1.2200 C=Cc1cc(c(cc1OC)C=O)O 271570a_100011290941_100010762608 [0,2,0,0,0,0|1,0,1]=4 4730 B13R1.2200 C=Cc1cc(c(cc1OC)F)C=O 271570a_100011290941_100010244998 [0,2,0,0,0,0|1,0,0]=3 4731 B13R1.2200 C=Cc1cc(c(cc1OC)O)C=O 271570a_100011290941_100009998278 [0,2,0,0,0,0|0,0,0]=2 4732 B13R1.2200 C=Cc1cc(c(cc1OC)O)OC 271570a_100011290941_100009816818 [0,2,0,0,0,0|2,0,0]=4 4733 B13R1.2200 C=Cc1cc(c(cc1OC)OC)F 271570a_100011290941_100010141368 [0,2,0,0,0,0|1,0,0]=3 4734 B13R1.2200 C=Cc1cc(c(nc1OC)OC)Br 271570a_100011290941_100025726379 [0,2,0,0,0,0|2,0,0]=4 4735 B13R1.2200 C=Cc1cc(c(nc1OC)OC)C 271570a_100011290941_100021123867 [0,2,0,0,0,0|2,0,0]=4 4736 B13R1.2200 CNc1cc(c(cc1OC)OC)Cl 2230a_100000212179_200000210301 [0,2,0,0,0,0|2,0,0]=4 4737 B13R1.2200 CNc1cc(c(cc1OC)OC)Cl 34a_100000212179_200000210301 [0,2,0,0,0,0|2,0,0]=4 4738 B13R1.2200 CNc1cc(c(cc1OC)OC)F 2230a_100000762594_200000210301 [0,2,0,0,0,0|2,0,0]=4 4739 B13R1.2200 CNc1cc(c(cc1OC)OC)F 34a_100000762594_200000210301 [0,2,0,0,0,0|2,0,0]=4 4740 B13R1.2200 COc1cc(c(cc1Br)OC)OC 34a_100009816818_200000210301 [0,2,0,0,0,0|2,0,0]=4 4741 B13R1.2200 COc1cc(c(cc1Br)OC)OC 7a_100009816818_200000210301 [0,2,0,0,0,0|2,0,0]=4 4742 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 34a_100009816818_200025704644 [0,2,0,0,0,0|2,0,0]=4 4743 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 7a_100009816818_200025704644 [0,2,0,0,0,0|2,0,0]=4 4744 B13R1.2200 COc1cc(c(cc1Cl)N[13CH3])OC 2230a_100000212179_200025704644 [0,2,0,0,0,0|2,0,0]=4 4745 B13R1.2200 COc1cc(c(cc1Cl)N[13CH3])OC 34a_100000212179_200025704644 [0,2,0,0,0,0|2,0,0]=4 4746 B13R1.2200 COc1cc(c(cc1F)N[13CH3])OC 2230a_100000762594_200025704644 [0,2,0,0,0,0|2,0,0]=4 4747 B13R1.2200 COc1cc(c(cc1F)N[13CH3])OC 34a_100000762594_200025704644 [0,2,0,0,0,0|2,0,0]=4 4748 B13R1.2200 COc1cc(c(cc1F)SC)OC 62a_100010141368_200000210301 [0,2,0,0,0,0|2,0,0]=4 4749 B13R1.2200 COc1cc(c(cc1F)SC)OC 62a_200000210301_100010141368 [0,2,0,0,0,0|2,0,0]=4 4750 B13R1.2200 COc1cc(c(cc1F)S[13CH3])OC 62a_100010141368_200025704644 [0,2,0,0,0,0|2,0,0]=4 4751 B13R1.2200 COc1cc(c(cc1F)S[13CH3])OC 62a_200025704644_100010141368 [0,2,0,0,0,0|2,0,0]=4 4752 B13R1.2200 COc1cc(c(cc1O)C=O)OC 271570a_203496583355_200009812229 [0,2,0,0,0,0|0,0,0]=2 4753 B13R1.2200 COc1cc(c(cc1O)C=O)SC 62a_200000210301_100000183646 [0,2,0,0,0,0|0,1,0]=3 4754 B13R1.2200 COc1cc(c(cc1O)C=O)S[13CH3] 62a_200025704644_100000183646 [0,2,0,0,0,0|0,1,0]=3 4755 B13R1.2200 COc1cc(c(cc1O)CO)OC 271570a_203496583355_200010164068 [0,2,0,0,0,0|0,0,2]=4 4756 B13R1.2200 COc1cc(c(cc1O)OC)C=O 271570a_203496583355_100000188581 [0,2,0,0,0,0|2,0,0]=4 4757 B13R1.2200 COc1cc(c(cc1O)OC)OC 271570a_203496583355_100000050122 [0,2,0,0,0,0|2,0,0]=4 4758 B13R1.2200 COc1cc(c(cc1OC)C#N)O 271570a_203496583355_100000188247 [0,2,0,0,0,0|1,0,1]=4 4759 B13R1.2200 COc1cc(c(cc1OC)C=O)O 271570a_203496583355_100000170863 [0,2,0,0,0,0|0,0,0]=2 4760 B13R1.2200 COc1cc(c(cc1OC)CO)O 271570a_203496583355_200000246283 [0,2,0,0,0,0|0,0,2]=4 4761 B13R1.2200 COc1cc(c(cc1SC)C=O)F 62a_100010244998_200000210301 [0,2,0,0,0,0|1,0,0]=3 4762 B13R1.2200 COc1cc(c(cc1SC)C=O)F 62a_200000210301_100010244998 [0,2,0,0,0,0|1,0,0]=3 4763 B13R1.2200 COc1cc(c(cc1SC)C=O)O 62a_200000210301_100009998278 [0,2,0,0,0,0|0,0,0]=2 4764 B13R1.2200 COc1cc(c(cc1SC)F)C=O 62a_100000695681_200000210301 [0,2,0,0,0,0|1,1,0]=4 4765 B13R1.2200 COc1cc(c(cc1SC)F)C=O 62a_200000210301_100000695681 [0,2,0,0,0,0|1,1,0]=4 4766 B13R1.2200 COc1cc(c(cc1SC)O)C=O 62a_100010762608_200000210301 [0,2,0,0,0,0|0,1,0]=3 4767 B13R1.2200 COc1cc(c(cc1SC)O)C=O 62a_200000210301_100010762608 [0,2,0,0,0,0|0,1,0]=3 4768 B13R1.2200 COc1cc(c(cc1S[13CH3])C=O)F 62a_100010244998_200025704644 [0,2,0,0,0,0|1,0,0]=3 4769 B13R1.2200 COc1cc(c(cc1S[13CH3])C=O)F 62a_200025704644_100010244998 [0,2,0,0,0,0|1,0,0]=3 4770 B13R1.2200 COc1cc(c(cc1S[13CH3])C=O)O 62a_200025704644_100009998278 [0,2,0,0,0,0|0,0,0]=2 4771 B13R1.2200 COc1cc(c(cc1S[13CH3])F)C=O 62a_100000695681_200025704644 [0,2,0,0,0,0|1,1,0]=4 4772 B13R1.2200 COc1cc(c(cc1S[13CH3])F)C=O 62a_200025704644_100000695681 [0,2,0,0,0,0|1,1,0]=4 4773 B13R1.2200 COc1cc(c(cc1S[13CH3])O)C=O 62a_100010762608_200025704644 [0,2,0,0,0,0|0,1,0]=3 4774 B13R1.2200 COc1cc(c(cc1S[13CH3])O)C=O 62a_200025704644_100010762608 [0,2,0,0,0,0|0,1,0]=3 4775 B13R1.2422 C=Cc1ccc(c(c1C)OC)OC 271570a_100011290941_100010000156 [0,2,0,0,0,0|2,0,0]=4 4776 B13R1.2422 C=Cc1ccc(c(c1C=O)F)OC 271570a_100011290941_100010204294 [0,2,0,0,0,0|1,0,1]=4 4777 B13R1.2422 C=Cc1ccc(c(c1C=O)O)OC 271570a_100011290941_100009813834 [0,2,0,0,0,0|1,0,1]=4 4778 B13R1.2422 C=Cc1ccc(c(c1F)C=O)OC 271570a_100011290941_100010202131 [0,2,0,0,0,0|2,0,0]=4 4779 B13R1.2422 C=Cc1ccc(c(c1OC)C)OC 271570a_100011290941_100010234078 [0,2,0,0,0,0|1,0,0]=3 4780 B13R1.2422 C=Cc1ccc(c(c1OC)F)OC 271570a_100011290941_200010341284 [0,2,0,0,0,0|1,0,0]=3 4781 B13R1.2422 C=Cc1ccc(c(c1SC)F)OC 271570a_100011290941_200011099385 [0,2,0,0,0,0|1,1,0]=4 4782 B13R1.2422 CNc1ccc(c(c1OC)F)OC 34a_100000070076_200000210301 [0,2,0,0,0,0|2,0,0]=4 4783 B13R1.2422 COc1c(ccc(c1F)C=O)SC 62a_200000210301_200010981996 [0,2,0,0,0,0|1,1,0]=4 4784 B13R1.2422 COc1c(ccc(c1F)C=O)SC 62a_200010981996_200000210301 [0,2,0,0,0,0|1,1,0]=4 4785 B13R1.2422 COc1c(ccc(c1F)C=O)S[13CH3] 62a_200010981996_200025704644 [0,2,0,0,0,0|1,1,0]=4 4786 B13R1.2422 COc1c(ccc(c1F)C=O)S[13CH3] 62a_200025704644_200010981996 [0,2,0,0,0,0|1,1,0]=4 4787 B13R1.2422 COc1ccc(c(c1C)OC)SC 62a_100010234078_200000210301 [0,2,0,0,0,0|2,0,0]=4 4788 B13R1.2422 COc1ccc(c(c1C)OC)SC 62a_200000210301_100010234078 [0,2,0,0,0,0|2,0,0]=4 4789 B13R1.2422 COc1ccc(c(c1C)OC)S[13CH3] 62a_100010234078_200025704644 [0,2,0,0,0,0|2,0,0]=4 4790 B13R1.2422 COc1ccc(c(c1C)OC)S[13CH3] 62a_200025704644_100010234078 [0,2,0,0,0,0|2,0,0]=4 4791 B13R1.2422 COc1ccc(c(c1F)OC)N[13CH3] 34a_100000070076_200025704644 [0,2,0,0,0,0|2,0,0]=4 4792 B13R1.2422 COc1ccc(c(c1F)OC)SC 62a_200000210301_200010341284 [0,2,0,0,0,0|2,0,0]=4 4793 B13R1.2422 COc1ccc(c(c1F)OC)SC 62a_200010341284_200000210301 [0,2,0,0,0,0|2,0,0]=4 4794 B13R1.2422 COc1ccc(c(c1F)OC)S[13CH3] 62a_200010341284_200025704644 [0,2,0,0,0,0|2,0,0]=4 4795 B13R1.2422 COc1ccc(c(c1F)OC)S[13CH3] 62a_200025704644_200010341284 [0,2,0,0,0,0|2,0,0]=4 4796 B13R1.2422 COc1ccc(c(c1O)SC)C=O 62a_200000210301_200009828465 [0,2,0,0,0,0|0,1,0]=3 4797 B13R1.2422 COc1ccc(c(c1O)S[13CH3])C=O 62a_200025704644_200009828465 [0,2,0,0,0,0|0,1,0]=3 4798 B13R1.2422 COc1ccc(c(c1OC)O)C=O 271570a_203496583355_100009814707 [0,2,0,0,0,0|0,0,0]=2 4799 B13R1.2422 COc1ccc(c(c1SC)O)C=O 62a_200000210301_100016072024 [0,2,0,0,0,0|0,0,0]=2 4800 B13R1.2422 COc1ccc(c(c1S[13CH3])O)C=O 62a_200025704644_100016072024 [0,2,0,0,0,0|0,0,0]=2 4801 B13R1.2430 C=C(C)c1cc(ccc1C=O)OC 271570a_100000694244_100000723261 [0,2,0,0,0,0|1,0,0]=3 4802 B13R1.2430 C=C(C)c1cc(cnc1C=O)OC 271570a_100000694244_200010135874 [0,2,0,0,0,0|2,0,0]=4 4803 B13R1.2430 C=C(C)c1nc(ccc1C=O)OC 271570a_100000694244_100012351648 [0,2,0,0,0,0|2,0,0]=4 4804 B13R1.2430 C=Cc1ccc(cc1B(O)O)OC 271570a_100011290941_100009814730 [0,2,0,0,0,0|1,0,0]=3 4805 B13R1.2430 C=Cc1ccc(cc1C(=O)C)OC 271570a_100011290941_100011360761 [0,2,0,0,0,0|1,0,1]=4 4806 B13R1.2430 C=Cc1ccc(cc1C(=O)N)OC 271570a_100011290941_100000162014 [0,2,0,0,0,0|1,0,1]=4 4807 B13R1.2430 C=Cc1ccc(cc1C(F)F)OC 271570a_100011290941_100010189949 [0,2,0,0,0,0|2,0,0]=4 4808 B13R1.2430 C=Cc1ccc(cc1[C@H](C)N)OC 271570a_100011290941_200015425320 [0,2,0,0,0,0|2,0,0]=4 4809 B13R1.2430 C=Cc1cnc(cc1B(O)O)OC 271570a_100011290941_100009814741 [0,2,0,0,0,0|2,0,0]=4 4810 B13R1.2430 COc1ccc(c(c1)B(O)O)SC 62a_100009814730_200000210301 [0,2,0,0,0,0|2,0,0]=4 4811 B13R1.2430 COc1ccc(c(c1)B(O)O)SC 62a_200000210301_100009814730 [0,2,0,0,0,0|2,0,0]=4 4812 B13R1.2430 COc1ccc(c(c1)B(O)O)S[13CH3] 62a_100009814730_200025704644 [0,2,0,0,0,0|2,0,0]=4 4813 B13R1.2430 COc1ccc(c(c1)B(O)O)S[13CH3] 62a_200025704644_100009814730 [0,2,0,0,0,0|2,0,0]=4 4814 B13R1.2430 CSc1ccc(c(c1)B(O)O)C=O 62a_100000046260_200000210301 [0,2,0,0,0,0|0,1,0]=3 4815 B13R1.2430 [13CH3]Sc1ccc(c(c1)B(O)O)C=O 62a_100000046260_200025704644 [0,2,0,0,0,0|0,1,0]=3 4816 B13R1.75 C#CCNc1ccc(cc1O)OC 34a_100016989039_100000184674 [0,2,0,0,0,0|1,0,1]=4 4817 B13R1.75 C#CCSc1ccc(cc1O)OC 62a_100000038162_100000719091 [0,2,0,0,0,0|1,0,1]=4 4818 B13R1.75 C=CCNc1ccc(cc1Br)OC 34a_100015195136_100015514636 [0,2,0,0,0,0|2,0,0]=4 4819 B13R1.75 C=CCNc1ccc(cc1C)OC 34a_100000750285_100015514636 [0,2,0,0,0,0|2,0,0]=4 4820 B13R1.75 C=CCNc1ccc(cc1Cl)OC 34a_100000747055_100015514636 [0,2,0,0,0,0|2,0,0]=4 4821 B13R1.75 C=CCNc1ccc(cc1F)OC 34a_100011299463_100015514636 [0,2,0,0,0,0|2,0,0]=4 4822 B13R1.75 C=CCNc1ccc(cc1I)OC 34a_100000049804_100015514636 [0,2,0,0,0,0|2,0,0]=4 4823 B13R1.75 C=CCNc1ccc(cc1O)CC 34a_100000124328_100015514636 [0,2,0,0,0,0|2,0,0]=4 4824 B13R1.75 C=CCNc1ccc(cc1O)OC 34a_100016989039_100015514636 [0,2,0,0,0,0|1,0,0]=3 4825 B13R1.75 C=CCOc1ccc(cc1Br)OC 34a_100000685887_100015514636 [0,2,0,0,0,0|2,0,0]=4 4826 B13R1.75 C=CCOc1ccc(cc1Br)OC 7a_100000685887_100015514636 [0,2,0,0,0,0|2,0,0]=4 4827 B13R1.75 C=CCOc1ccc(cc1C)OC 34a_100012002223_100015514636 [0,2,0,0,0,0|2,0,0]=4 4828 B13R1.75 C=CCOc1ccc(cc1C)OC 7a_100012002223_100015514636 [0,2,0,0,0,0|2,0,0]=4 4829 B13R1.75 C=CCOc1ccc(cc1Cl)OC 34a_100000038596_100015514636 [0,2,0,0,0,0|2,0,0]=4 4830 B13R1.75 C=CCOc1ccc(cc1Cl)OC 7a_100000038596_100015514636 [0,2,0,0,0,0|2,0,0]=4 4831 B13R1.75 C=CCOc1ccc(cc1F)OC 34a_100000036999_100015514636 [0,2,0,0,0,0|2,0,0]=4 4832 B13R1.75 C=CCOc1ccc(cc1F)OC 7a_100000036999_100015514636 [0,2,0,0,0,0|2,0,0]=4 4833 B13R1.75 C=CCOc1ccc(cc1N)OC 34a_100000188146_100015514636 [0,2,0,0,0,0|2,0,0]=4 4834 B13R1.75 C=CCSc1ccc(cc1Br)OC 62a_100000210623_100012349170 [0,2,0,0,0,0|2,0,0]=4 4835 B13R1.75 C=CCSc1ccc(cc1Br)OC 62a_100012349170_100000210623 [0,2,0,0,0,0|2,0,0]=4 4836 B13R1.75 C=CCSc1ccc(cc1C)OC 62a_100000210623_100000759875 [0,2,0,0,0,0|2,0,0]=4 4837 B13R1.75 C=CCSc1ccc(cc1C)OC 62a_100000759875_100000210623 [0,2,0,0,0,0|2,0,0]=4 4838 B13R1.75 C=CCSc1ccc(cc1F)OC 62a_100000210623_100000753793 [0,2,0,0,0,0|2,0,0]=4 4839 B13R1.75 C=CCSc1ccc(cc1F)OC 62a_100000753793_100000210623 [0,2,0,0,0,0|2,0,0]=4 4840 B13R1.75 C=CCSc1ccc(cc1N)OC 62a_100000210623_100000748021 [0,2,0,0,0,0|2,0,0]=4 4841 B13R1.75 C=CCSc1ccc(cc1N)OC 62a_100000748021_100000210623 [0,2,0,0,0,0|2,0,0]=4 4842 B13R1.75 C=CCSc1ccc(cc1O)OC 62a_100000210623_100000719091 [0,2,0,0,0,0|1,0,0]=3 4843 B13R1.75 C=CCSc1cnc(cc1O)OC 62a_100000210623_100010738159 [0,2,0,0,0,0|2,0,0]=4 4844 B13R1.75 C=CCSc1cnc(cc1O)OC 62a_100010738159_100000210623 [0,2,0,0,0,0|2,0,0]=4 4845 B13R1.75 CC=NNc1ccc(cc1C)OC 4a_115082355441_200000210099 [0,2,0,0,0,0|2,0,0]=4 4846 B13R1.75 CC=NNc1ccc(cc1F)OC 4a_100015191252_200000210099 [0,2,0,0,0,0|2,0,0]=4 4847 B13R1.75 CCCCc1ccc(cc1O)OC 271570a_100020621405_100000719091 [0,2,0,0,0,0|1,0,1]=4 4848 B13R1.75 CCCNc1ccc(cc1O)OC 34a_100016989039_100000210303 [0,2,0,0,0,0|1,0,1]=4 4849 B13R1.75 CCCSc1ccc(cc1O)OC 62a_100000210303_100000719091 [0,2,0,0,0,0|1,0,1]=4 4850 B13R1.75 CCc1ccc(c(c1)Br)NCC=O 2230a_100012339725_200015260668 [0,2,0,0,0,0|2,0,0]=4 4851 B13R1.75 CCc1ccc(c(c1)Br)NCC=O 34a_100012339725_200009817547 [0,2,0,0,0,0|2,0,0]=4 4852 B13R1.75 CCc1ccc(c(c1)Br)OCC=O 34a_100012339963_200009817547 [0,2,0,0,0,0|2,0,0]=4 4853 B13R1.75 CCc1ccc(c(c1)Br)OCC=O 7a_100012339963_200015260668 [0,2,0,0,0,0|2,0,0]=4 4854 B13R1.75 CCc1ccc(c(c1)Br)SCC=O 62a_200009997437_200015260668 [0,2,0,0,0,0|2,0,0]=4 4855 B13R1.75 CCc1ccc(c(c1)Br)SCC=O 62a_200015260668_200009997437 [0,2,0,0,0,0|2,0,0]=4 4856 B13R1.75 CCc1ccc(c(c1)C)NCC=O 2230a_100011226020_200015260668 [0,2,0,0,0,0|2,0,0]=4 4857 B13R1.75 CCc1ccc(c(c1)C)NCC=O 34a_100011226020_200009817547 [0,2,0,0,0,0|2,0,0]=4 4858 B13R1.75 CCc1ccc(c(c1)C)NCC=O 7a_100011226020_200015260668 [0,2,0,0,0,0|2,0,0]=4 4859 B13R1.75 CCc1ccc(c(c1)F)NCC=O 2230a_100016177294_200015260668 [0,2,0,0,0,0|2,0,0]=4 4860 B13R1.75 CCc1ccc(c(c1)F)NCC=O 34a_100016177294_200009817547 [0,2,0,0,0,0|2,0,0]=4 4861 B13R1.75 CCc1ccc(c(c1)F)SCC=O 62a_200010339503_200015260668 [0,2,0,0,0,0|2,0,0]=4 4862 B13R1.75 CCc1ccc(c(c1)F)SCC=O 62a_200015260668_200010339503 [0,2,0,0,0,0|2,0,0]=4 4863 B13R1.75 CCc1ccc(c(c1)N)OCC=O 34a_100000765835_200009817547 [0,2,0,0,0,0|2,0,0]=4 4864 B13R1.75 CCc1ccc(c(c1)N)OCC=O 7a_100000765835_200015260668 [0,2,0,0,0,0|2,0,0]=4 4865 B13R1.75 CCc1ccc(c(c1)O)NCC=O 34a_100000124328_200009817547 [0,2,0,0,0,0|1,0,0]=3 4866 B13R1.75 CNc1ccc(c(c1)C)SCC=O 62a_100102888905_200015260668 [0,2,0,0,0,0|2,0,0]=4 4867 B13R1.75 CNc1ccc(c(c1)C)SCC=O 62a_200015260668_100102888905 [0,2,0,0,0,0|2,0,0]=4 4868 B13R1.75 CNc1ccc(c(c1)F)SCC=O 62a_100012285320_200015260668 [0,2,0,0,0,0|2,0,0]=4 4869 B13R1.75 CNc1ccc(c(c1)F)SCC=O 62a_200015260668_100012285320 [0,2,0,0,0,0|2,0,0]=4 4870 B13R1.75 COCOc1ccc(cc1O)OC 271570a_203496583355_200013022666 [0,2,0,0,0,0|0,0,2]=4 4871 B13R1.75 COCSc1ccc(cc1O)OC 62a_100000766300_100000719091 [0,2,0,0,0,0|0,0,2]=4 4872 B13R1.75 COc1cc(c(cn1)SCC=O)C 62a_100011934368_200015260668 [0,2,0,0,0,0|2,0,0]=4 4873 B13R1.75 COc1cc(c(cn1)SCC=O)C 62a_200015260668_100011934368 [0,2,0,0,0,0|2,0,0]=4 4874 B13R1.75 COc1cc(c(cn1)SCC=O)F 62a_100010136277_200015260668 [0,2,0,0,0,0|2,0,0]=4 4875 B13R1.75 COc1cc(c(cn1)SCC=O)F 62a_200015260668_100010136277 [0,2,0,0,0,0|2,0,0]=4 4876 B13R1.75 COc1cc(c(cn1)SCC=O)N 62a_100010254562_200015260668 [0,2,0,0,0,0|2,0,0]=4 4877 B13R1.75 COc1cc(c(cn1)SCC=O)N 62a_200015260668_100010254562 [0,2,0,0,0,0|2,0,0]=4 4878 B13R1.75 COc1cc(c(cn1)SCC=O)O 62a_100010738159_200015260668 [0,2,0,0,0,0|1,0,0]=3 4879 B13R1.75 COc1cc(c(cn1)SCC=O)O 62a_200015260668_100010738159 [0,2,0,0,0,0|1,0,0]=3 4880 B13R1.75 COc1ccc(c(c1)Br)NCC=O 34a_100015195136_200009817547 [0,2,0,0,0,0|1,0,0]=3 4881 B13R1.75 COc1ccc(c(c1)Br)OCC=O 34a_100000685887_200009817547 [0,2,0,0,0,0|1,0,0]=3 4882 B13R1.75 COc1ccc(c(c1)Br)OCC=O 7a_100000685887_200015260668 [0,2,0,0,0,0|1,0,0]=3 4883 B13R1.75 COc1ccc(c(c1)Br)SCC=O 62a_100012349170_200015260668 [0,2,0,0,0,0|1,0,0]=3 4884 B13R1.75 COc1ccc(c(c1)Br)SCC=O 62a_200015260668_100012349170 [0,2,0,0,0,0|1,0,0]=3 4885 B13R1.75 COc1ccc(c(c1)C)NCC=O 34a_100000750285_200009817547 [0,2,0,0,0,0|1,0,0]=3 4886 B13R1.75 COc1ccc(c(c1)C)OCC=O 34a_100012002223_200009817547 [0,2,0,0,0,0|1,0,0]=3 4887 B13R1.75 COc1ccc(c(c1)C)OCC=O 7a_100012002223_200015260668 [0,2,0,0,0,0|1,0,0]=3 4888 B13R1.75 COc1ccc(c(c1)C)SCC=O 62a_100000759875_200015260668 [0,2,0,0,0,0|1,0,0]=3 4889 B13R1.75 COc1ccc(c(c1)C)SCC=O 62a_200015260668_100000759875 [0,2,0,0,0,0|1,0,0]=3 4890 B13R1.75 COc1ccc(c(c1)Cl)NCC=O 34a_100000747055_200009817547 [0,2,0,0,0,0|1,0,0]=3 4891 B13R1.75 COc1ccc(c(c1)Cl)OCC=O 34a_100000038596_200009817547 [0,2,0,0,0,0|1,0,0]=3 4892 B13R1.75 COc1ccc(c(c1)Cl)OCC=O 7a_100000038596_200015260668 [0,2,0,0,0,0|1,0,0]=3 4893 B13R1.75 COc1ccc(c(c1)F)NCC=O 34a_100011299463_200009817547 [0,2,0,0,0,0|1,0,0]=3 4894 B13R1.75 COc1ccc(c(c1)F)OCC=O 34a_100000036999_200009817547 [0,2,0,0,0,0|1,0,0]=3 4895 B13R1.75 COc1ccc(c(c1)F)OCC=O 7a_100000036999_200015260668 [0,2,0,0,0,0|1,0,0]=3 4896 B13R1.75 COc1ccc(c(c1)F)SCC=O 62a_100000753793_200015260668 [0,2,0,0,0,0|1,0,0]=3 4897 B13R1.75 COc1ccc(c(c1)F)SCC=O 62a_200015260668_100000753793 [0,2,0,0,0,0|1,0,0]=3 4898 B13R1.75 COc1ccc(c(c1)I)NCC=O 34a_100000049804_200009817547 [0,2,0,0,0,0|1,0,0]=3 4899 B13R1.75 COc1ccc(c(c1)N)OCC=O 34a_100000188146_200009817547 [0,2,0,0,0,0|1,0,0]=3 4900 B13R1.75 COc1ccc(c(c1)N)SCC=O 62a_100000748021_200015260668 [0,2,0,0,0,0|1,0,0]=3 4901 B13R1.75 COc1ccc(c(c1)N)SCC=O 62a_200015260668_100000748021 [0,2,0,0,0,0|1,0,0]=3 4902 B13R1.75 COc1ccc(c(c1)O)NCC=O 34a_100016989039_200009817547 [0,2,0,0,0,0|0,0,0]=2 4903 B13R1.75 COc1ccc(c(c1)O)NCCF 34a_100016989039_100011217306 [0,2,0,0,0,0|1,0,1]=4 4904 B13R1.75 COc1ccc(c(c1)O)NCCO 34a_100016989039_100000211926 [0,2,0,0,0,0|0,0,2]=4 4905 B13R1.75 COc1ccc(c(c1)O)NCSC 34a_100016989039_100011218213 [0,2,0,0,0,0|0,1,1]=4 4906 B13R1.75 COc1ccc(c(c1)O)OCC#N 271570a_203496583355_100012356953 [0,2,0,0,0,0|1,0,1]=4 4907 B13R1.75 COc1ccc(c(c1)O)SCC#N 62a_100011215382_100000719091 [0,2,0,0,0,0|1,0,1]=4 4908 B13R1.75 COc1ccc(c(c1)O)SCC=O 62a_200015260668_100000719091 [0,2,0,0,0,0|0,0,0]=2 4909 B13R1.75 COc1ccc(c(c1)O)SCCF 62a_100011217306_100000719091 [0,2,0,0,0,0|1,0,1]=4 4910 B13R1.75 COc1ccc(c(c1)O)SCCO 62a_100000211926_100000719091 [0,2,0,0,0,0|0,0,2]=4 4911 B13R1.75 COc1ccc(c(c1)O)SCSC 62a_100011218213_100000719091 [0,2,0,0,0,0|0,1,1]=4 4912 B13R1.75 COc1ccc(c(n1)C)OCC=O 34a_200009873766_200009817547 [0,2,0,0,0,0|2,0,0]=4 4913 B13R1.75 COc1ccc(c(n1)C)SCC=O 62a_100000766551_200015260668 [0,2,0,0,0,0|2,0,0]=4 4914 B13R1.75 COc1ccc(c(n1)C)SCC=O 62a_200015260668_100000766551 [0,2,0,0,0,0|2,0,0]=4 4915 B13R1.75 COc1ccc(c(n1)F)SCC=O 62a_100010067559_200015260668 [0,2,0,0,0,0|2,0,0]=4 4916 B13R1.75 COc1ccc(c(n1)F)SCC=O 62a_200015260668_100010067559 [0,2,0,0,0,0|2,0,0]=4 4917 B13R1.75 COc1ccc(c(n1)N)SCC=O 62a_100010187629_200015260668 [0,2,0,0,0,0|2,0,0]=4 4918 B13R1.75 COc1cnc(c(c1)C)SCC=O 62a_200015260668_200009851512 [0,2,0,0,0,0|2,0,0]=4 4919 B13R1.75 COc1cnc(c(c1)N)SCC=O 62a_100010074831_200015260668 [0,2,0,0,0,0|2,0,0]=4 4920 B13R1.75 COc1cnc(c(c1)N)SCC=O 62a_200015260668_100010074831 [0,2,0,0,0,0|2,0,0]=4 4921 B13R1.75 CSc1ccc(c(c1)F)NCC=O 34a_100012056844_200009817547 [0,2,0,0,0,0|1,1,0]=4 4922 B13R1.75 CSc1ccc(c(c1)F)SCC=O 62a_100009816902_200015260668 [0,2,0,0,0,0|1,1,0]=4 4923 B13R1.75 CSc1ccc(c(c1)F)SCC=O 62a_200015260668_100009816902 [0,2,0,0,0,0|1,1,0]=4 4924 B13R1.75 N#Cc1ccc(c(c1)O)NCC=O 34a_100011997735_200009817547 [0,2,0,0,0,0|2,0,0]=4 4925 B13R1.75 N#Cc1ccc(c(c1)O)SCC=O 62a_200015260668_100009877741 [0,2,0,0,0,0|2,0,0]=4 4926 B13R1.75 O=CCSc1ccc(cc1O)C=O 62a_100000041418_200015260668 [0,2,0,0,0,0|2,0,0]=4 4927 B13R1.75 O=CCSc1ccc(cc1O)C=O 62a_200015260668_100000041418 [0,2,0,0,0,0|2,0,0]=4 4928 B13R1.75 O=CCSc1ccc(cc1O)CO 62a_100000049605_200015260668 [0,2,0,0,0,0|2,0,0]=4 4929 B13R1.75 O=CCSc1ccc(cc1O)CO 62a_200015260668_100000049605 [0,2,0,0,0,0|2,0,0]=4 4930 B13R1.95 C=Cc1ccc(c(c1)O)C(=O)OC 271570a_100011290941_100000062286 [0,2,0,0,0,0|1,0,1]=4 4931 B13R1.95 CCC(=O)c1ccc(cc1Br)OC 1458a_100000748873_100000210202 [0,2,0,0,0,0|1,0,0]=3 4932 B13R1.95 CCC(=O)c1ccc(cc1C)OC 1458a_100000763155_100000210202 [0,2,0,0,0,0|1,0,0]=3 4933 B13R1.95 CCC(=O)c1ccc(cc1C)SC 1458a_100012278374_100000210202 [0,2,0,0,0,0|1,1,0]=4 4934 B13R1.95 CCC(=O)c1ccc(cc1C)SC 62a_200000210301_200012361375 [0,2,0,0,0,0|1,1,0]=4 4935 B13R1.95 CCC(=O)c1ccc(cc1C)SC 62a_200012361375_200000210301 [0,2,0,0,0,0|1,1,0]=4 4936 B13R1.95 CCC(=O)c1ccc(cc1C)S[13CH3] 62a_200012361375_200025704644 [0,2,0,0,0,0|1,1,0]=4 4937 B13R1.95 CCC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_200012361375 [0,2,0,0,0,0|1,1,0]=4 4938 B13R1.95 CCC(=O)c1ccc(cc1Cl)OC 1458a_100000753557_100000210202 [0,2,0,0,0,0|1,0,0]=3 4939 B13R1.95 CCC(=O)c1ccc(cc1F)CC 1458a_200009867912_100000210202 [0,2,0,0,0,0|2,0,0]=4 4940 B13R1.95 CCC(=O)c1ccc(cc1F)NC 27a_100102657272_100012360378 [0,2,0,0,0,0|2,0,0]=4 4941 B13R1.95 CCC(=O)c1ccc(cc1F)OC 1458a_100000198494_100000210202 [0,2,0,0,0,0|1,0,0]=3 4942 B13R1.95 CCC(=O)c1ccc(cc1F)SC 62a_100012360378_200000210301 [0,2,0,0,0,0|1,1,0]=4 4943 B13R1.95 CCC(=O)c1ccc(cc1F)SC 62a_200000210301_100012360378 [0,2,0,0,0,0|1,1,0]=4 4944 B13R1.95 CCC(=O)c1ccc(cc1F)S[13CH3] 62a_100012360378_200025704644 [0,2,0,0,0,0|1,1,0]=4 4945 B13R1.95 CCC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100012360378 [0,2,0,0,0,0|1,1,0]=4 4946 B13R1.95 CCC(=O)c1ccc(cc1I)OC 1458a_100000688016_100000210202 [0,2,0,0,0,0|1,0,0]=3 4947 B13R1.95 CCC(=O)c1ccc(cc1O)OC 1458a_100000212123_100000210202 [0,2,0,0,0,0|0,0,0]=2 4948 B13R1.95 CCc1ccc(c(c1)F)C(=O)CF 1458a_200009867912_100015361967 [0,2,0,0,0,0|2,0,0]=4 4949 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 11a_106832991635_200009867912 [0,2,0,0,0,0|2,0,0]=4 4950 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 1626a_100102657272_200009867912 [0,2,0,0,0,0|2,0,0]=4 4951 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 240690a_100102657272_200009867912 [0,2,0,0,0,0|2,0,0]=4 4952 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 527a_100102657272_200009867912 [0,2,0,0,0,0|2,0,0]=4 4953 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 11a_106832991635_100000748873 [0,2,0,0,0,0|1,0,0]=3 4954 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 1626a_100102657272_100000748873 [0,2,0,0,0,0|1,0,0]=3 4955 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 240690a_100102657272_100000748873 [0,2,0,0,0,0|1,0,0]=3 4956 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 527a_100102657272_100000748873 [0,2,0,0,0,0|1,0,0]=3 4957 B13R1.95 CNC(=O)c1ccc(cc1C)OC 11a_106832991635_100000763155 [0,2,0,0,0,0|1,0,0]=3 4958 B13R1.95 CNC(=O)c1ccc(cc1C)OC 1626a_100102657272_100000763155 [0,2,0,0,0,0|1,0,0]=3 4959 B13R1.95 CNC(=O)c1ccc(cc1C)OC 240690a_100102657272_100000763155 [0,2,0,0,0,0|1,0,0]=3 4960 B13R1.95 CNC(=O)c1ccc(cc1C)OC 527a_100102657272_100000763155 [0,2,0,0,0,0|1,0,0]=3 4961 B13R1.95 CNC(=O)c1ccc(cc1C)SC 11a_106832991635_100012278374 [0,2,0,0,0,0|1,1,0]=4 4962 B13R1.95 CNC(=O)c1ccc(cc1C)SC 1626a_100102657272_100012278374 [0,2,0,0,0,0|1,1,0]=4 4963 B13R1.95 CNC(=O)c1ccc(cc1C)SC 240690a_100102657272_100012278374 [0,2,0,0,0,0|1,1,0]=4 4964 B13R1.95 CNC(=O)c1ccc(cc1C)SC 527a_100102657272_100012278374 [0,2,0,0,0,0|1,1,0]=4 4965 B13R1.95 CNC(=O)c1ccc(cc1Cl)NC 34a_100000742945_200000210301 [0,2,0,0,0,0|2,0,0]=4 4966 B13R1.95 CNC(=O)c1ccc(cc1Cl)NC 7a_100000742945_200000210301 [0,2,0,0,0,0|2,0,0]=4 4967 B13R1.95 CNC(=O)c1ccc(cc1Cl)N[13CH3] 34a_100000742945_200025704644 [0,2,0,0,0,0|2,0,0]=4 4968 B13R1.95 CNC(=O)c1ccc(cc1Cl)N[13CH3] 7a_100000742945_200025704644 [0,2,0,0,0,0|2,0,0]=4 4969 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 11a_106832991635_100000753557 [0,2,0,0,0,0|1,0,0]=3 4970 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 1626a_100102657272_100000753557 [0,2,0,0,0,0|1,0,0]=3 4971 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 240690a_100102657272_100000753557 [0,2,0,0,0,0|1,0,0]=3 4972 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 527a_100102657272_100000753557 [0,2,0,0,0,0|1,0,0]=3 4973 B13R1.95 CNC(=O)c1ccc(cc1F)NC 27a_100102657272_100000233932 [0,2,0,0,0,0|2,0,0]=4 4974 B13R1.95 CNC(=O)c1ccc(cc1F)NC 34a_100011533607_200000210301 [0,2,0,0,0,0|2,0,0]=4 4975 B13R1.95 CNC(=O)c1ccc(cc1F)NC 7a_100011533607_200000210301 [0,2,0,0,0,0|2,0,0]=4 4976 B13R1.95 CNC(=O)c1ccc(cc1F)N[13CH3] 34a_100011533607_200025704644 [0,2,0,0,0,0|2,0,0]=4 4977 B13R1.95 CNC(=O)c1ccc(cc1F)N[13CH3] 7a_100011533607_200025704644 [0,2,0,0,0,0|2,0,0]=4 4978 B13R1.95 CNC(=O)c1ccc(cc1F)OC 11a_106832991635_100000198494 [0,2,0,0,0,0|1,0,0]=3 4979 B13R1.95 CNC(=O)c1ccc(cc1F)OC 1626a_100102657272_100000198494 [0,2,0,0,0,0|1,0,0]=3 4980 B13R1.95 CNC(=O)c1ccc(cc1F)OC 240690a_100102657272_100000198494 [0,2,0,0,0,0|1,0,0]=3 4981 B13R1.95 CNC(=O)c1ccc(cc1F)OC 527a_100102657272_100000198494 [0,2,0,0,0,0|1,0,0]=3 4982 B13R1.95 CNC(=O)c1ccc(cc1F)SC 62a_100000233932_200000210301 [0,2,0,0,0,0|1,1,0]=4 4983 B13R1.95 CNC(=O)c1ccc(cc1F)SC 62a_200000210301_100000233932 [0,2,0,0,0,0|1,1,0]=4 4984 B13R1.95 CNC(=O)c1ccc(cc1F)S[13CH3] 62a_100000233932_200025704644 [0,2,0,0,0,0|1,1,0]=4 4985 B13R1.95 CNC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000233932 [0,2,0,0,0,0|1,1,0]=4 4986 B13R1.95 CNC(=O)c1ccc(cc1I)OC 11a_106832991635_100000688016 [0,2,0,0,0,0|1,0,0]=3 4987 B13R1.95 CNC(=O)c1ccc(cc1I)OC 1626a_100102657272_100000688016 [0,2,0,0,0,0|1,0,0]=3 4988 B13R1.95 CNC(=O)c1ccc(cc1I)OC 240690a_100102657272_100000688016 [0,2,0,0,0,0|1,0,0]=3 4989 B13R1.95 CNC(=O)c1ccc(cc1I)OC 527a_100102657272_100000688016 [0,2,0,0,0,0|1,0,0]=3 4990 B13R1.95 CNC(=O)c1ccc(cc1O)NC 34a_100000223174_200000210301 [0,2,0,0,0,0|1,0,0]=3 4991 B13R1.95 CNC(=O)c1ccc(cc1O)N[13CH3] 34a_100000223174_200025704644 [0,2,0,0,0,0|1,0,0]=3 4992 B13R1.95 CNC(=O)c1ccc(cc1O)OC 11a_106832991635_100000212123 [0,2,0,0,0,0|0,0,0]=2 4993 B13R1.95 CNC(=O)c1ccc(cc1O)OC 240690a_100102657272_100000212123 [0,2,0,0,0,0|0,0,0]=2 4994 B13R1.95 CNC(=O)c1ccc(cc1O)OC 527a_100102657272_100000212123 [0,2,0,0,0,0|0,0,0]=2 4995 B13R1.95 CNC(C)c1ccc(cc1O)OC 269862a_106832991636_100000185565 [0,2,0,0,0,0|1,0,1]=4 4996 B13R1.95 COC(=O)c1ccc(cc1Br)OC 34a_100010150825_200000210301 [0,2,0,0,0,0|1,0,0]=3 4997 B13R1.95 COC(=O)c1ccc(cc1Br)OC 7a_100010150825_200000210301 [0,2,0,0,0,0|1,0,0]=3 4998 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 34a_100010150825_200025704644 [0,2,0,0,0,0|1,0,0]=3 4999 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 7a_100010150825_200025704644 [0,2,0,0,0,0|1,0,0]=3 5000 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_100010247156_200000210301 [0,2,0,0,0,0|1,1,0]=4 5001 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_200000210301_100010247156 [0,2,0,0,0,0|1,1,0]=4 5002 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_100010247156_200025704644 [0,2,0,0,0,0|1,1,0]=4 5003 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_200025704644_100010247156 [0,2,0,0,0,0|1,1,0]=4 5004 B13R1.95 COC(=O)c1ccc(cc1C)OC 34a_100012000157_200000210301 [0,2,0,0,0,0|1,0,0]=3 5005 B13R1.95 COC(=O)c1ccc(cc1C)OC 7a_100012000157_200000210301 [0,2,0,0,0,0|1,0,0]=3 5006 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 34a_100012000157_200025704644 [0,2,0,0,0,0|1,0,0]=3 5007 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 7a_100012000157_200025704644 [0,2,0,0,0,0|1,0,0]=3 5008 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_100000747612_200000210301 [0,2,0,0,0,0|1,1,0]=4 5009 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_200000210301_100000747612 [0,2,0,0,0,0|1,1,0]=4 5010 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_100000747612_200025704644 [0,2,0,0,0,0|1,1,0]=4 5011 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100000747612 [0,2,0,0,0,0|1,1,0]=4 5012 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 34a_100000081488_200000210301 [0,2,0,0,0,0|1,0,0]=3 5013 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 7a_100000081488_200000210301 [0,2,0,0,0,0|1,0,0]=3 5014 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100000081488_200025704644 [0,2,0,0,0,0|1,0,0]=3 5015 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100000081488_200025704644 [0,2,0,0,0,0|1,0,0]=3 5016 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_100000060724_200000210301 [0,2,0,0,0,0|1,1,0]=4 5017 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_200000210301_100000060724 [0,2,0,0,0,0|1,1,0]=4 5018 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_100000060724_200025704644 [0,2,0,0,0,0|1,1,0]=4 5019 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_200025704644_100000060724 [0,2,0,0,0,0|1,1,0]=4 5020 B13R1.95 COC(=O)c1ccc(cc1F)OC 34a_100011999631_200000210301 [0,2,0,0,0,0|1,0,0]=3 5021 B13R1.95 COC(=O)c1ccc(cc1F)OC 7a_100011999631_200000210301 [0,2,0,0,0,0|1,0,0]=3 5022 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 34a_100011999631_200025704644 [0,2,0,0,0,0|1,0,0]=3 5023 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 7a_100011999631_200025704644 [0,2,0,0,0,0|1,0,0]=3 5024 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_100000216654_200000210301 [0,2,0,0,0,0|1,1,0]=4 5025 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_200000210301_100000216654 [0,2,0,0,0,0|1,1,0]=4 5026 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_100000216654_200025704644 [0,2,0,0,0,0|1,1,0]=4 5027 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000216654 [0,2,0,0,0,0|1,1,0]=4 5028 B13R1.95 COC(=O)c1ccc(cc1N)OC 34a_100000701581_200000210301 [0,2,0,0,0,0|1,0,0]=3 5029 B13R1.95 COC(=O)c1ccc(cc1N)OC 7a_100000701581_200000210301 [0,2,0,0,0,0|1,0,0]=3 5030 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 34a_100000701581_200025704644 [0,2,0,0,0,0|1,0,0]=3 5031 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 7a_100000701581_200025704644 [0,2,0,0,0,0|1,0,0]=3 5032 B13R1.95 COC(=O)c1ccc(cc1N)SC 62a_100011373473_200000210301 [0,2,0,0,0,0|1,1,0]=4 5033 B13R1.95 COC(=O)c1ccc(cc1N)S[13CH3] 62a_100011373473_200025704644 [0,2,0,0,0,0|1,1,0]=4 5034 B13R1.95 COC(=O)c1ccc(cc1O)C#N 271570a_203496583355_100009832033 [0,2,0,0,0,0|2,0,0]=4 5035 B13R1.95 COC(=O)c1ccc(cc1O)C=O 271570a_203496583355_100010630601 [0,2,0,0,0,0|2,0,0]=4 5036 B13R1.95 COC(=O)c1ccc(cc1O)OC 271570a_203496583355_100009815674 [0,2,0,0,0,0|0,0,0]=2 5037 B13R1.95 COC(=O)c1ccc(cc1O)SC 62a_200000210301_100000062286 [0,2,0,0,0,0|0,1,0]=3 5038 B13R1.95 COC(=O)c1ccc(cc1O)S[13CH3] 62a_200025704644_100000062286 [0,2,0,0,0,0|0,1,0]=3 5039 B13R1.95 COC(=O)c1ccc(nc1O)OC 271570a_203496583355_100010136187 [0,2,0,0,0,0|1,0,0]=3 5040 B13R1.95 COC(=O)c1cnc(cc1O)OC 271570a_203496583355_100010136350 [0,2,0,0,0,0|1,0,0]=3 5041 B13R1.95 COC(=O)c1ncc(cc1Cl)OC 34a_100009855505_200000210301 [0,2,0,0,0,0|2,0,0]=4 5042 B13R1.95 COC(=O)c1ncc(cc1Cl)OC 7a_100009855505_200000210301 [0,2,0,0,0,0|2,0,0]=4 5043 B13R1.95 COC(=O)c1ncc(cc1Cl)O[13CH3] 34a_100009855505_200025704644 [0,2,0,0,0,0|2,0,0]=4 5044 B13R1.95 COC(=O)c1ncc(cc1Cl)O[13CH3] 7a_100009855505_200025704644 [0,2,0,0,0,0|2,0,0]=4 5045 B13R1.95 COC(=O)c1ncc(cc1O)SC 62a_200000210301_100010071521 [0,2,0,0,0,0|1,1,0]=4 5046 B13R1.95 COC(=O)c1ncc(cc1O)S[13CH3] 62a_200025704644_100010071521 [0,2,0,0,0,0|1,1,0]=4 5047 B13R1.95 COc1ccc(c(c1)Br)C(=O)CF 1458a_100000748873_100015361967 [0,2,0,0,0,0|1,0,0]=3 5048 B13R1.95 COc1ccc(c(c1)C)C(=O)CF 1458a_100000763155_100015361967 [0,2,0,0,0,0|1,0,0]=3 5049 B13R1.95 COc1ccc(c(c1)Cl)C(=O)CF 1458a_100000753557_100015361967 [0,2,0,0,0,0|1,0,0]=3 5050 B13R1.95 COc1ccc(c(c1)F)C(=NO)N 34a_200015222041_200000210301 [0,2,0,0,0,0|1,0,1]=4 5051 B13R1.95 COc1ccc(c(c1)F)C(=O)CF 1458a_100000198494_100015361967 [0,2,0,0,0,0|1,0,0]=3 5052 B13R1.95 COc1ccc(c(c1)I)C(=O)CF 1458a_100000688016_100015361967 [0,2,0,0,0,0|1,0,0]=3 5053 B13R1.95 COc1ccc(c(c1)O)C(=O)CF 1458a_100000212123_100015361967 [0,2,0,0,0,0|0,0,0]=2 5054 B13R1.95 CSc1ccc(c(c1)C)C(=O)CF 1458a_100012278374_100015361967 [0,2,0,0,0,0|1,1,0]=4 5055 B13R1.95 [13CH3]Oc1ccc(c(c1)F)C(=NO)N 34a_200015222041_200025704644 [0,2,0,0,0,0|1,0,1]=4 5056 B13R1.388 C=C=Cc1ccc(cc1C)OCC 271570a_100015277604_100012344538 [0,2,0,0,0,0|2,0,0]=4 5057 B13R1.388 C=C=Cc1ccc(cc1F)COC 271570a_100015277604_100010177442 [0,2,0,0,0,0|2,0,0]=4 5058 B13R1.388 C=C=Cc1ccc(cc1F)OCC 271570a_100015277604_100000692347 [0,2,0,0,0,0|2,0,0]=4 5059 B13R1.388 C=C=Cc1ccc(cc1N)COC 271570a_100015277604_200013033220 [0,2,0,0,0,0|2,0,0]=4 5060 B13R1.388 CC=Cc1ccc(cc1C)OCC 271570a_100016259895_100012344538 [0,2,0,0,0,0|2,0,0]=4 5061 B13R1.388 CC=Cc1ccc(cc1F)COC 271570a_100016259895_100010177442 [0,2,0,0,0,0|2,0,0]=4 5062 B13R1.388 CC=Cc1ccc(cc1F)OCC 271570a_100016259895_100000692347 [0,2,0,0,0,0|2,0,0]=4 5063 B13R1.388 CC=Cc1ccc(cc1N)COC 271570a_100016259895_200013033220 [0,2,0,0,0,0|2,0,0]=4 5064 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 34a_200000084595_200025704644 [0,2,0,0,0,0|1,0,0]=3 5065 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 7a_200000084595_200025704644 [0,2,0,0,0,0|1,0,0]=3 5066 B13R1.653 CC(=O)Nc1ccc(cc1C)N[13CH3] 34a_100000736504_200025704644 [0,2,0,0,0,0|2,0,0]=4 5067 B13R1.653 CC(=O)Nc1ccc(cc1C)N[13CH3] 7a_100000736504_200025704644 [0,2,0,0,0,0|2,0,0]=4 5068 B13R1.653 CC(=O)Nc1ccc(cc1C)S[13CH3] 62a_200025704644_100000152120 [0,2,0,0,0,0|1,1,0]=4 5069 B13R1.653 CC(=O)Nc1ccc(cc1Cl)N[13CH3] 34a_100000244014_200025704644 [0,2,0,0,0,0|2,0,0]=4 5070 B13R1.653 CC(=O)Nc1ccc(cc1Cl)N[13CH3] 7a_100000244014_200025704644 [0,2,0,0,0,0|2,0,0]=4 5071 B13R1.653 CC(=O)Nc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100011273303 [0,2,0,0,0,0|1,1,0]=4 5072 B13R1.653 CC(=O)Nc1ccc(cc1F)S[13CH3] 62a_200025704644_100000155584 [0,2,0,0,0,0|1,1,0]=4 5073 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 22a_100011997735_100000070787 [0,2,0,0,0,0|2,0,0]=4 5074 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 271570a_203496583355_200011214909 [0,2,0,0,0,0|2,0,0]=4 5075 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 527a_100011997735_100103153847 [0,2,0,0,0,0|2,0,0]=4 5076 B13R1.653 CC(=O)Oc1ccc(cc1F)S[13CH3] 62a_100009811628_200025704644 [0,2,0,0,0,0|1,1,0]=4 5077 B13R1.653 CC(=O)Oc1ccc(cc1F)S[13CH3] 62a_200025704644_100009811628 [0,2,0,0,0,0|1,1,0]=4 5078 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 11a_100012339725_100015343762 [0,2,0,0,0,0|2,0,0]=4 5079 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 1626a_100012339725_100015343762 [0,2,0,0,0,0|2,0,0]=4 5080 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 527a_100012339725_100103153847 [0,2,0,0,0,0|2,0,0]=4 5081 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 11a_100011226020_100015343762 [0,2,0,0,0,0|2,0,0]=4 5082 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 1626a_100011226020_100015343762 [0,2,0,0,0,0|2,0,0]=4 5083 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 22a_100011226020_100000070787 [0,2,0,0,0,0|2,0,0]=4 5084 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 527a_100011226020_100103153847 [0,2,0,0,0,0|2,0,0]=4 5085 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 11a_100016177294_100015343762 [0,2,0,0,0,0|2,0,0]=4 5086 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 1626a_100016177294_100015343762 [0,2,0,0,0,0|2,0,0]=4 5087 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 22a_100016177294_100000070787 [0,2,0,0,0,0|2,0,0]=4 5088 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 527a_100016177294_100103153847 [0,2,0,0,0,0|2,0,0]=4 5089 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 22a_100000124328_100000070787 [0,2,0,0,0,0|1,0,0]=3 5090 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 527a_100000124328_100103153847 [0,2,0,0,0,0|1,0,0]=3 5091 B13R1.653 CNc1ccc(c(c1)C)NC(=O)C 34a_100000736504_200000210301 [0,2,0,0,0,0|2,0,0]=4 5092 B13R1.653 CNc1ccc(c(c1)C)NC(=O)C 7a_100000736504_200000210301 [0,2,0,0,0,0|2,0,0]=4 5093 B13R1.653 CNc1ccc(c(c1)Cl)NC(=O)C 34a_100000244014_200000210301 [0,2,0,0,0,0|2,0,0]=4 5094 B13R1.653 CNc1ccc(c(c1)Cl)NC(=O)C 7a_100000244014_200000210301 [0,2,0,0,0,0|2,0,0]=4 5095 B13R1.653 COc1cc(c(cn1)C=C(C)C)O 271570a_100102525489_100010738159 [0,2,0,0,0,0|2,0,0]=4 5096 B13R1.653 COc1ccc(c(c1)Br)C=C(C)C 271570a_100102525489_100012349170 [0,2,0,0,0,0|2,0,0]=4 5097 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000070787_100011982828 [0,2,0,0,0,0|1,0,0]=3 5098 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000238646_200000210301 [0,2,0,0,0,0|1,0,0]=3 5099 B13R1.653 COc1ccc(c(c1)Br)CC(=O)[13CH3] 1458a_100000238646_200025704644 [0,2,0,0,0,0|1,0,0]=3 5100 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 11a_100015195136_100015343762 [0,2,0,0,0,0|1,0,0]=3 5101 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 1626a_100015195136_100015343762 [0,2,0,0,0,0|1,0,0]=3 5102 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 22a_100015195136_100000070787 [0,2,0,0,0,0|1,0,0]=3 5103 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 527a_100015195136_100103153847 [0,2,0,0,0,0|1,0,0]=3 5104 B13R1.653 COc1ccc(c(c1)C)C=C(C)C 271570a_100102525489_100000759875 [0,2,0,0,0,0|2,0,0]=4 5105 B13R1.653 COc1ccc(c(c1)C)CC(=O)C 1458a_100011996676_200000210301 [0,2,0,0,0,0|1,0,0]=3 5106 B13R1.653 COc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011996676_200025704644 [0,2,0,0,0,0|1,0,0]=3 5107 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 11a_100000750285_100015343762 [0,2,0,0,0,0|1,0,0]=3 5108 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 1626a_100000750285_100015343762 [0,2,0,0,0,0|1,0,0]=3 5109 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 22a_100000750285_100000070787 [0,2,0,0,0,0|1,0,0]=3 5110 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 527a_100000750285_100103153847 [0,2,0,0,0,0|1,0,0]=3 5111 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000070787_200011830453 [0,2,0,0,0,0|1,0,0]=3 5112 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000688043_200000210301 [0,2,0,0,0,0|1,0,0]=3 5113 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 34a_200000084595_200000210301 [0,2,0,0,0,0|1,0,0]=3 5114 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 7a_200000084595_200000210301 [0,2,0,0,0,0|1,0,0]=3 5115 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)[13CH3] 1458a_100000688043_200025704644 [0,2,0,0,0,0|1,0,0]=3 5116 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 11a_100000747055_100015343762 [0,2,0,0,0,0|1,0,0]=3 5117 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 1626a_100000747055_100015343762 [0,2,0,0,0,0|1,0,0]=3 5118 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 22a_100000747055_100000070787 [0,2,0,0,0,0|1,0,0]=3 5119 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 527a_100000747055_100103153847 [0,2,0,0,0,0|1,0,0]=3 5120 B13R1.653 COc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100000753793 [0,2,0,0,0,0|2,0,0]=4 5121 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000070787_100011260761 [0,2,0,0,0,0|1,0,0]=3 5122 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000709196_200000210301 [0,2,0,0,0,0|1,0,0]=3 5123 B13R1.653 COc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000709196_200025704644 [0,2,0,0,0,0|1,0,0]=3 5124 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 11a_100011299463_100015343762 [0,2,0,0,0,0|1,0,0]=3 5125 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 1626a_100011299463_100015343762 [0,2,0,0,0,0|1,0,0]=3 5126 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 22a_100011299463_100000070787 [0,2,0,0,0,0|1,0,0]=3 5127 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 527a_100011299463_100103153847 [0,2,0,0,0,0|1,0,0]=3 5128 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 11a_100000049804_100015343762 [0,2,0,0,0,0|1,0,0]=3 5129 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 1626a_100000049804_100015343762 [0,2,0,0,0,0|1,0,0]=3 5130 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 22a_100000049804_100000070787 [0,2,0,0,0,0|1,0,0]=3 5131 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 527a_100000049804_100103153847 [0,2,0,0,0,0|1,0,0]=3 5132 B13R1.653 COc1ccc(c(c1)N)C=C(C)C 271570a_100102525489_100000748021 [0,2,0,0,0,0|2,0,0]=4 5133 B13R1.653 COc1ccc(c(c1)O)C=C(C)C 271570a_100102525489_100000719091 [0,2,0,0,0,0|1,0,0]=3 5134 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 22a_100016989039_100000070787 [0,2,0,0,0,0|0,0,0]=2 5135 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 527a_100016989039_100103153847 [0,2,0,0,0,0|0,0,0]=2 5136 B13R1.653 COc1ccc(c(c1)O)NC(C)C 34a_100016989039_100000210206 [0,2,0,0,0,0|1,0,1]=4 5137 B13R1.653 COc1ccc(c(c1)O)SC(C)C 62a_100000210206_100000719091 [0,2,0,0,0,0|1,0,1]=4 5138 B13R1.653 CSc1ccc(c(c1)C)NC(=O)C 62a_200000210301_100000152120 [0,2,0,0,0,0|1,1,0]=4 5139 B13R1.653 CSc1ccc(c(c1)Cl)NC(=O)C 62a_200000210301_100011273303 [0,2,0,0,0,0|1,1,0]=4 5140 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 11a_100012056844_100015343762 [0,2,0,0,0,0|1,1,0]=4 5141 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 1626a_100012056844_100015343762 [0,2,0,0,0,0|1,1,0]=4 5142 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 22a_100012056844_100000070787 [0,2,0,0,0,0|1,1,0]=4 5143 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 527a_100012056844_100103153847 [0,2,0,0,0,0|1,1,0]=4 5144 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 62a_200000210301_100000155584 [0,2,0,0,0,0|1,1,0]=4 5145 B13R1.653 CSc1ccc(c(c1)F)OC(=O)C 62a_100009811628_200000210301 [0,2,0,0,0,0|1,1,0]=4 5146 B13R1.653 CSc1ccc(c(c1)F)OC(=O)C 62a_200000210301_100009811628 [0,2,0,0,0,0|1,1,0]=4 5147 B13R1.1254 C=C=Cc1ccc(c(c1C)C)OC 271570a_100015277604_100000049725 [0,2,0,0,0,0|2,0,0]=4 5148 B13R1.1254 C=C=Cc1ccc(c(c1F)F)OC 271570a_100015277604_100009816879 [0,2,0,0,0,0|2,0,0]=4 5149 B13R1.1254 C=C=Cc1ccc(c(c1F)O)C=O 271570a_100015277604_100010762540 [0,2,0,0,0,0|1,0,1]=4 5150 B13R1.1254 C=Cc1ccc(c(c1F)F)OCC 271570a_100011290941_100010177744 [0,2,0,0,0,0|2,0,0]=4 5151 B13R1.1254 CC=Cc1ccc(c(c1C)C)OC 271570a_100016259895_100000049725 [0,2,0,0,0,0|2,0,0]=4 5152 B13R1.1254 CC=Cc1ccc(c(c1C)F)C=O 271570a_100016259895_100015546853 [0,2,0,0,0,0|2,0,0]=4 5153 B13R1.1254 CC=Cc1ccc(c(c1F)F)C=O 271570a_100016259895_100010209662 [0,2,0,0,0,0|2,0,0]=4 5154 B13R1.1254 CC=Cc1ccc(c(c1F)F)OC 271570a_100016259895_100009816879 [0,2,0,0,0,0|2,0,0]=4 5155 B13R1.1254 CC=Cc1ccc(c(c1F)O)C=O 271570a_100016259895_100010762540 [0,2,0,0,0,0|1,0,0]=3 5156 B13R1.1254 CCSc1ccc(c(c1C)F)C=O 62a_100000210202_100015546853 [0,2,0,0,0,0|1,1,0]=4 5157 B13R1.1254 CCSc1ccc(c(c1C)F)C=O 62a_100015546853_100000210202 [0,2,0,0,0,0|1,1,0]=4 5158 B13R1.1254 CCSc1ccc(c(c1F)F)C=O 62a_100000210202_100010209662 [0,2,0,0,0,0|1,1,0]=4 5159 B13R1.1254 CCSc1ccc(c(c1F)F)C=O 62a_100010209662_100000210202 [0,2,0,0,0,0|1,1,0]=4 5160 B13R1.1254 CCSc1ccc(c(c1F)O)C=O 62a_100000210202_100010762540 [0,2,0,0,0,0|0,1,0]=3 5161 B13R1.1254 CCSc1ccc(c(c1F)O)C=O 62a_100010762540_100000210202 [0,2,0,0,0,0|0,1,0]=3 5162 B13R1.1254 Cc1c(ccc(c1F)C=O)SCF 62a_100015361967_100015546853 [0,2,0,0,0,0|1,1,0]=4 5163 B13R1.1254 Cc1c(ccc(c1F)C=O)SCF 62a_100015546853_100015361967 [0,2,0,0,0,0|1,1,0]=4 5164 B13R1.1254 O=Cc1ccc(c(c1F)F)SCF 62a_100010209662_100015361967 [0,2,0,0,0,0|1,1,0]=4 5165 B13R1.1254 O=Cc1ccc(c(c1F)F)SCF 62a_100015361967_100010209662 [0,2,0,0,0,0|1,1,0]=4 5166 B13R1.1254 O=Cc1ccc(c(c1O)F)SCF 62a_100010762540_100015361967 [0,2,0,0,0,0|0,1,0]=3 5167 B13R1.1254 O=Cc1ccc(c(c1O)F)SCF 62a_100015361967_100010762540 [0,2,0,0,0,0|0,1,0]=3 5168 B13R1.2901 C=C=Cc1cc(c(cc1C)C=O)O 271570a_100015277604_200010762526 [0,2,0,0,0,0|1,0,1]=4 5169 B13R1.2901 C=C=Cc1cc(c(cc1C)OC)C 271570a_100015277604_100000698960 [0,2,0,0,0,0|2,0,0]=4 5170 B13R1.2901 C=C=Cc1cc(c(cc1C)OC)F 271570a_100015277604_100010074640 [0,2,0,0,0,0|2,0,0]=4 5171 B13R1.2901 C=C=Cc1cc(c(cc1Cl)OC)N 271570a_100015277604_100011011177 [0,2,0,0,0,0|2,0,0]=4 5172 B13R1.2901 C=C=Cc1cc(c(cc1F)C=O)O 271570a_100015277604_200010762562 [0,2,0,0,0,0|1,0,1]=4 5173 B13R1.2901 C=C=Cc1cc(c(cc1F)OC)F 271570a_100015277604_100009813720 [0,2,0,0,0,0|2,0,0]=4 5174 B13R1.2901 C=C=Cc1cc(c(cc1F)OC)N 271570a_100015277604_100012361397 [0,2,0,0,0,0|2,0,0]=4 5175 B13R1.2901 C=C=Cc1cc(c(cc1N)OC)C 271570a_100015277604_100010244135 [0,2,0,0,0,0|2,0,0]=4 5176 B13R1.2901 C=C=Cc1cc(c(cc1N)OC)F 271570a_100015277604_100010208193 [0,2,0,0,0,0|2,0,0]=4 5177 B13R1.2901 C=C=Cc1cc(c(cc1O)C=O)O 271570a_100015277604_100010888506 [0,2,0,0,0,0|1,0,1]=4 5178 B13R1.2901 CC=Cc1cc(c(cc1C)C=O)C 271570a_100016259895_100012024176 [0,2,0,0,0,0|2,0,0]=4 5179 B13R1.2901 CC=Cc1cc(c(cc1C)C=O)F 271570a_100016259895_100010186291 [0,2,0,0,0,0|2,0,0]=4 5180 B13R1.2901 CC=Cc1cc(c(cc1C)C=O)O 271570a_100016259895_200010762526 [0,2,0,0,0,0|1,0,0]=3 5181 B13R1.2901 CC=Cc1cc(c(cc1C)OC)C 271570a_100016259895_100000698960 [0,2,0,0,0,0|2,0,0]=4 5182 B13R1.2901 CC=Cc1cc(c(cc1C)OC)F 271570a_100016259895_100010074640 [0,2,0,0,0,0|2,0,0]=4 5183 B13R1.2901 CC=Cc1cc(c(cc1Cl)OC)N 271570a_100016259895_100011011177 [0,2,0,0,0,0|2,0,0]=4 5184 B13R1.2901 CC=Cc1cc(c(cc1F)C=O)C 271570a_100016259895_100010186292 [0,2,0,0,0,0|2,0,0]=4 5185 B13R1.2901 CC=Cc1cc(c(cc1F)C=O)F 271570a_100016259895_100011998483 [0,2,0,0,0,0|2,0,0]=4 5186 B13R1.2901 CC=Cc1cc(c(cc1F)C=O)O 271570a_100016259895_200010762562 [0,2,0,0,0,0|1,0,0]=3 5187 B13R1.2901 CC=Cc1cc(c(cc1F)OC)F 271570a_100016259895_100009813720 [0,2,0,0,0,0|2,0,0]=4 5188 B13R1.2901 CC=Cc1cc(c(cc1F)OC)N 271570a_100016259895_100012361397 [0,2,0,0,0,0|2,0,0]=4 5189 B13R1.2901 CC=Cc1cc(c(cc1N)OC)C 271570a_100016259895_100010244135 [0,2,0,0,0,0|2,0,0]=4 5190 B13R1.2901 CC=Cc1cc(c(cc1N)OC)F 271570a_100016259895_100010208193 [0,2,0,0,0,0|2,0,0]=4 5191 B13R1.2901 CC=Cc1cc(c(cc1O)C=O)O 271570a_100016259895_100010888506 [0,2,0,0,0,0|1,0,0]=3 5192 B13R1.2901 CCSc1cc(c(cc1C)C=O)C 62a_100000210202_100012024176 [0,2,0,0,0,0|1,1,0]=4 5193 B13R1.2901 CCSc1cc(c(cc1C)C=O)C 62a_100012024176_100000210202 [0,2,0,0,0,0|1,1,0]=4 5194 B13R1.2901 CCSc1cc(c(cc1C)C=O)F 62a_100000210202_100010186291 [0,2,0,0,0,0|1,1,0]=4 5195 B13R1.2901 CCSc1cc(c(cc1C)C=O)F 62a_100010186291_100000210202 [0,2,0,0,0,0|1,1,0]=4 5196 B13R1.2901 CCSc1cc(c(cc1C)C=O)O 62a_100000210202_200010762526 [0,2,0,0,0,0|0,1,0]=3 5197 B13R1.2901 CCSc1cc(c(cc1C)C=O)O 62a_200010762526_100000210202 [0,2,0,0,0,0|0,1,0]=3 5198 B13R1.2901 CCSc1cc(c(cc1F)C=O)C 62a_100000210202_100010186292 [0,2,0,0,0,0|1,1,0]=4 5199 B13R1.2901 CCSc1cc(c(cc1F)C=O)C 62a_100010186292_100000210202 [0,2,0,0,0,0|1,1,0]=4 5200 B13R1.2901 CCSc1cc(c(cc1F)C=O)F 62a_100000210202_100011998483 [0,2,0,0,0,0|1,1,0]=4 5201 B13R1.2901 CCSc1cc(c(cc1F)C=O)F 62a_100011998483_100000210202 [0,2,0,0,0,0|1,1,0]=4 5202 B13R1.2901 CCSc1cc(c(cc1F)C=O)O 62a_100000210202_200010762562 [0,2,0,0,0,0|0,1,0]=3 5203 B13R1.2901 CCSc1cc(c(cc1F)C=O)O 62a_200010762562_100000210202 [0,2,0,0,0,0|0,1,0]=3 5204 B13R1.2901 CCSc1cc(c(cc1O)C=O)O 62a_100000210202_100010888506 [0,2,0,0,0,0|0,1,0]=3 5205 B13R1.2901 Cc1cc(c(cc1C=O)C)SCF 62a_100012024176_100015361967 [0,2,0,0,0,0|1,1,0]=4 5206 B13R1.2901 Cc1cc(c(cc1C=O)C)SCF 62a_100015361967_100012024176 [0,2,0,0,0,0|1,1,0]=4 5207 B13R1.2901 Cc1cc(c(cc1C=O)F)SCF 62a_100010186292_100015361967 [0,2,0,0,0,0|1,1,0]=4 5208 B13R1.2901 Cc1cc(c(cc1C=O)F)SCF 62a_100015361967_100010186292 [0,2,0,0,0,0|1,1,0]=4 5209 B13R1.2901 Cc1cc(c(cc1SCF)F)C=O 62a_100010186291_100015361967 [0,2,0,0,0,0|1,1,0]=4 5210 B13R1.2901 Cc1cc(c(cc1SCF)F)C=O 62a_100015361967_100010186291 [0,2,0,0,0,0|1,1,0]=4 5211 B13R1.2901 Cc1cc(c(cc1SCF)O)C=O 62a_100015361967_200010762526 [0,2,0,0,0,0|0,1,0]=3 5212 B13R1.2901 Cc1cc(c(cc1SCF)O)C=O 62a_200010762526_100015361967 [0,2,0,0,0,0|0,1,0]=3 5213 B13R1.2901 O=Cc1cc(c(cc1F)SCF)F 62a_100011998483_100015361967 [0,2,0,0,0,0|1,1,0]=4 5214 B13R1.2901 O=Cc1cc(c(cc1F)SCF)F 62a_100015361967_100011998483 [0,2,0,0,0,0|1,1,0]=4 5215 B13R1.2901 O=Cc1cc(c(cc1O)SCF)F 62a_100015361967_200010762562 [0,2,0,0,0,0|0,1,0]=3 5216 B13R1.2901 O=Cc1cc(c(cc1O)SCF)F 62a_200010762562_100015361967 [0,2,0,0,0,0|0,1,0]=3 5217 B13R1.2901 O=Cc1cc(c(cc1O)SCF)O 62a_100015361967_100010888506 [0,2,0,0,0,0|0,1,0]=3 5218 B13R1.3945 C=C=Cc1c(cc(cc1C)OC)C 271570a_100015277604_100012160682 [0,2,0,0,0,0|2,0,0]=4 5219 B13R1.3945 C=C=Cc1c(cc(cc1F)OC)F 271570a_100015277604_100011218311 [0,2,0,0,0,0|2,0,0]=4 5220 B13R1.3945 CC=Cc1c(cc(cc1C)OC)C 271570a_100016259895_100012160682 [0,2,0,0,0,0|2,0,0]=4 5221 B13R1.3945 CC=Cc1c(cc(cc1F)OC)F 271570a_100016259895_100011218311 [0,2,0,0,0,0|2,0,0]=4 5222 B13R1.35 C=Cc1ccc(cc1F)OC(C)C 271570a_100011290941_200012236954 [0,2,0,0,0,0|2,0,0]=4 5223 B13R1.35 C=Cc1ccc(cc1F)OC(F)F 271570a_100011290941_100000722742 [0,2,0,0,0,0|2,0,0]=4 5224 B13R1.35 C=Cc1ccc(cc1N)OC(F)F 271570a_100011290941_100010145974 [0,2,0,0,0,0|2,0,0]=4 5225 B13R1.35 CC(=Cc1ccc(c(c1)Br)C=O)C 271570a_100102525489_100010185650 [0,2,0,0,0,0|2,0,0]=4 5226 B13R1.35 CC(=Cc1ccc(c(c1)C)C=O)C 271570a_100102525489_100000687586 [0,2,0,0,0,0|2,0,0]=4 5227 B13R1.35 CC(=Cc1ccc(c(c1)Cl)C=O)C 271570a_100102525489_100000727542 [0,2,0,0,0,0|2,0,0]=4 5228 B13R1.35 CC(=Cc1ccc(c(c1)F)C=O)C 271570a_100102525489_100000211676 [0,2,0,0,0,0|2,0,0]=4 5229 B13R1.35 CC(=Cc1ccc(c(c1)N)C=O)C 271570a_100102525489_100009814810 [0,2,0,0,0,0|2,0,0]=4 5230 B13R1.35 CC(=Cc1ccc(c(c1)O)C=O)C 271570a_100102525489_100011277552 [0,2,0,0,0,0|1,0,0]=3 5231 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C=O 1458a_100000070787_100010142638 [0,2,0,0,0,0|2,0,0]=4 5232 B13R1.35 CC(C)Sc1ccc(c(c1)Br)C=O 62a_100000210206_100010185650 [0,2,0,0,0,0|1,1,0]=4 5233 B13R1.35 CC(C)Sc1ccc(c(c1)Br)C=O 62a_100010185650_100000210206 [0,2,0,0,0,0|1,1,0]=4 5234 B13R1.35 CC(C)Sc1ccc(c(c1)Cl)C=O 62a_100000210206_100000727542 [0,2,0,0,0,0|1,1,0]=4 5235 B13R1.35 CC(C)Sc1ccc(c(c1)Cl)C=O 62a_100000727542_100000210206 [0,2,0,0,0,0|1,1,0]=4 5236 B13R1.35 CC(C)Sc1ccc(c(c1)F)C=O 62a_100000210206_100000211676 [0,2,0,0,0,0|1,1,0]=4 5237 B13R1.35 CC(C)Sc1ccc(c(c1)F)C=O 62a_100000211676_100000210206 [0,2,0,0,0,0|1,1,0]=4 5238 B13R1.35 CC(C)Sc1ccc(c(c1)N)C=O 62a_100009814810_100000210206 [0,2,0,0,0,0|1,1,0]=4 5239 B13R1.35 CC(C)Sc1ccc(c(c1)O)C=O 62a_100000210206_100011277552 [0,2,0,0,0,0|0,1,0]=3 5240 B13R1.35 CC(C)Sc1ccc(c(c1)O)C=O 62a_100011277552_100000210206 [0,2,0,0,0,0|0,1,0]=3 5241 B13R1.35 CN(C)Cc1ccc(c(c1)F)C=O 2230a_100102631434_100010142638 [0,2,0,0,0,0|2,0,0]=4 5242 B13R1.35 CN(C)Cc1ccc(c(c1)F)C=O 269982a_100102631434_100010142638 [0,2,0,0,0,0|2,0,0]=4 5243 B13R1.35 Cc1cc(ccc1C=O)SC(C)C 62a_100000210206_100000766358 [0,2,0,0,0,0|1,1,0]=4 5244 B13R1.35 Cc1cc(ccc1C=O)SC(C)C 62a_100000766358_100000210206 [0,2,0,0,0,0|1,1,0]=4 5245 B13R1.385 C=C(C)c1ccc(cc1C)OCC 271570a_100000694244_100012344538 [0,2,0,0,0,0|2,0,0]=4 5246 B13R1.385 C=C(C)c1ccc(cc1F)COC 271570a_100000694244_100010177442 [0,2,0,0,0,0|2,0,0]=4 5247 B13R1.385 C=C(C)c1ccc(cc1F)OCC 271570a_100000694244_100000692347 [0,2,0,0,0,0|2,0,0]=4 5248 B13R1.385 C=C(C)c1ccc(cc1N)COC 271570a_100000694244_200013033220 [0,2,0,0,0,0|2,0,0]=4 5249 B13R1.385 C=C=Cc1ccc(c(c1)O)C(=O)C 271570a_100015277604_100000188348 [0,2,0,0,0,0|1,0,1]=4 5250 B13R1.385 C=C=Cc1ccc(c(c1)O)C(=O)N 271570a_100015277604_100011550861 [0,2,0,0,0,0|1,0,1]=4 5251 B13R1.385 CC(=O)c1ccc(cc1Br)OCF 34a_100012340537_100015361967 [0,2,0,0,0,0|1,0,0]=3 5252 B13R1.385 CC(=O)c1ccc(cc1Br)OCF 7a_100012340537_100015361967 [0,2,0,0,0,0|1,0,0]=3 5253 B13R1.385 CC(=O)c1ccc(cc1C)OCF 34a_100000702595_100015361967 [0,2,0,0,0,0|1,0,0]=3 5254 B13R1.385 CC(=O)c1ccc(cc1C)OCF 7a_100000702595_100015361967 [0,2,0,0,0,0|1,0,0]=3 5255 B13R1.385 CC(=O)c1ccc(cc1C)SCF 62a_100012360112_100015361967 [0,2,0,0,0,0|1,1,0]=4 5256 B13R1.385 CC(=O)c1ccc(cc1C)SCF 62a_100015361967_100012360112 [0,2,0,0,0,0|1,1,0]=4 5257 B13R1.385 CC(=O)c1ccc(cc1Cl)OCF 34a_100011933989_100015361967 [0,2,0,0,0,0|1,0,0]=3 5258 B13R1.385 CC(=O)c1ccc(cc1Cl)OCF 7a_100011933989_100015361967 [0,2,0,0,0,0|1,0,0]=3 5259 B13R1.385 CC(=O)c1ccc(cc1F)OCF 34a_100000752407_100015361967 [0,2,0,0,0,0|1,0,0]=3 5260 B13R1.385 CC(=O)c1ccc(cc1F)OCF 7a_100000752407_100015361967 [0,2,0,0,0,0|1,0,0]=3 5261 B13R1.385 CC(=O)c1ccc(cc1F)SCF 62a_100000690205_100015361967 [0,2,0,0,0,0|1,1,0]=4 5262 B13R1.385 CC(=O)c1ccc(cc1N)SCF 62a_100011590516_100015361967 [0,2,0,0,0,0|1,1,0]=4 5263 B13R1.385 CC=Cc1ccc(c(c1)Br)C(=O)N 271570a_100016259895_200010146565 [0,2,0,0,0,0|2,0,0]=4 5264 B13R1.385 CC=Cc1ccc(c(c1)C)C(=O)C 271570a_100016259895_100012360112 [0,2,0,0,0,0|2,0,0]=4 5265 B13R1.385 CC=Cc1ccc(c(c1)C)C(=O)N 271570a_100016259895_100011327924 [0,2,0,0,0,0|2,0,0]=4 5266 B13R1.385 CC=Cc1ccc(c(c1)F)C(=O)C 271570a_100016259895_100000690205 [0,2,0,0,0,0|2,0,0]=4 5267 B13R1.385 CC=Cc1ccc(c(c1)F)C(=O)N 271570a_100016259895_100000216903 [0,2,0,0,0,0|2,0,0]=4 5268 B13R1.385 CC=Cc1ccc(c(c1)N)C(=O)C 271570a_100016259895_100011590516 [0,2,0,0,0,0|2,0,0]=4 5269 B13R1.385 CC=Cc1ccc(c(c1)N)C(=O)N 271570a_100016259895_100012349972 [0,2,0,0,0,0|2,0,0]=4 5270 B13R1.385 CC=Cc1ccc(c(c1)O)C(=O)C 271570a_100016259895_100000188348 [0,2,0,0,0,0|1,0,0]=3 5271 B13R1.385 CC=Cc1ccc(c(c1)O)C(=O)N 271570a_100016259895_100011550861 [0,2,0,0,0,0|1,0,0]=3 5272 B13R1.385 CCNc1ccc(c(c1)Br)C(=O)N 27a_100015525214_200010146565 [0,2,0,0,0,0|2,0,0]=4 5273 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N 27a_100015525214_100011327924 [0,2,0,0,0,0|2,0,0]=4 5274 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N 34a_200000751758_100000210202 [0,2,0,0,0,0|2,0,0]=4 5275 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N 7a_200000751758_100000210202 [0,2,0,0,0,0|2,0,0]=4 5276 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_100000210202 [0,2,0,0,0,0|2,0,0]=4 5277 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_100000210202 [0,2,0,0,0,0|2,0,0]=4 5278 B13R1.385 CCNc1ccc(c(c1)F)C(=O)C 27a_100015525214_100000690205 [0,2,0,0,0,0|2,0,0]=4 5279 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 27a_100015525214_100000216903 [0,2,0,0,0,0|2,0,0]=4 5280 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 34a_100000749959_100000210202 [0,2,0,0,0,0|2,0,0]=4 5281 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 7a_100000749959_100000210202 [0,2,0,0,0,0|2,0,0]=4 5282 B13R1.385 CCNc1ccc(c(c1)O)C(=O)N 34a_100000223280_100000210202 [0,2,0,0,0,0|1,0,0]=3 5283 B13R1.385 CCNc1ccc(c(c1)O)C(=O)N 7a_100000223280_100000210202 [0,2,0,0,0,0|1,0,0]=3 5284 B13R1.385 CCOc1ccc(c(c1)Br)C(=O)C 34a_100012340537_100000210202 [0,2,0,0,0,0|1,0,0]=3 5285 B13R1.385 CCOc1ccc(c(c1)Br)C(=O)C 7a_100012340537_100000210202 [0,2,0,0,0,0|1,0,0]=3 5286 B13R1.385 CCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000210202 [0,2,0,0,0,0|2,0,0]=4 5287 B13R1.385 CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000210202 [0,2,0,0,0,0|2,0,0]=4 5288 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 1458a_200012183785_200000210301 [0,2,0,0,0,0|1,0,0]=3 5289 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 34a_100000702595_100000210202 [0,2,0,0,0,0|1,0,0]=3 5290 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 7a_100000702595_100000210202 [0,2,0,0,0,0|1,0,0]=3 5291 B13R1.385 CCOc1ccc(c(c1)C)C(=O)[13CH3] 1458a_200012183785_200025704644 [0,2,0,0,0,0|1,0,0]=3 5292 B13R1.385 CCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000210202 [0,2,0,0,0,0|2,0,0]=4 5293 B13R1.385 CCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000210202 [0,2,0,0,0,0|2,0,0]=4 5294 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_100000210202 [0,2,0,0,0,0|1,0,0]=3 5295 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_100000210202 [0,2,0,0,0,0|1,0,0]=3 5296 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_100000210202 [0,2,0,0,0,0|1,0,0]=3 5297 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_100000210202 [0,2,0,0,0,0|1,0,0]=3 5298 B13R1.385 CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000210202 [0,2,0,0,0,0|2,0,0]=4 5299 B13R1.385 CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000210202 [0,2,0,0,0,0|2,0,0]=4 5300 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 1458a_100012184274_200000210301 [0,2,0,0,0,0|1,0,0]=3 5301 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 34a_100000752407_100000210202 [0,2,0,0,0,0|1,0,0]=3 5302 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 7a_100000752407_100000210202 [0,2,0,0,0,0|1,0,0]=3 5303 B13R1.385 CCOc1ccc(c(c1)F)C(=O)N 34a_200012186767_100000210202 [0,2,0,0,0,0|1,0,0]=3 5304 B13R1.385 CCOc1ccc(c(c1)F)C(=O)N 7a_200012186767_100000210202 [0,2,0,0,0,0|1,0,0]=3 5305 B13R1.385 CCOc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100012184274_200025704644 [0,2,0,0,0,0|1,0,0]=3 5306 B13R1.385 CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000210202 [0,2,0,0,0,0|2,0,0]=4 5307 B13R1.385 CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000210202 [0,2,0,0,0,0|2,0,0]=4 5308 B13R1.385 CCOc1ccc(c(c1)N)C(=O)N 34a_100012186684_100000210202 [0,2,0,0,0,0|1,0,0]=3 5309 B13R1.385 CCOc1ccc(c(c1)N)C(=O)N 7a_100012186684_100000210202 [0,2,0,0,0,0|1,0,0]=3 5310 B13R1.385 CCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000210202 [0,2,0,0,0,0|2,0,0]=4 5311 B13R1.385 CCOc1ccc(c(c1)O)C(=O)C 1458a_200000049073_200000210301 [0,2,0,0,0,0|0,0,0]=2 5312 B13R1.385 CCOc1ccc(c(c1)O)C(=O)[13CH3] 1458a_200000049073_200025704644 [0,2,0,0,0,0|0,0,0]=2 5313 B13R1.385 CCSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_100000210202 [0,2,0,0,0,0|1,1,0]=4 5314 B13R1.385 CCSc1ccc(c(c1)C)C(=O)C 62a_100000210202_100012360112 [0,2,0,0,0,0|1,1,0]=4 5315 B13R1.385 CCSc1ccc(c(c1)C)C(=O)C 62a_100012360112_100000210202 [0,2,0,0,0,0|1,1,0]=4 5316 B13R1.385 CCSc1ccc(c(c1)C)C(=O)N 62a_100000210202_100011327924 [0,2,0,0,0,0|1,1,0]=4 5317 B13R1.385 CCSc1ccc(c(c1)C)C(=O)N 62a_100011327924_100000210202 [0,2,0,0,0,0|1,1,0]=4 5318 B13R1.385 CCSc1ccc(c(c1)F)C(=O)C 62a_100000690205_100000210202 [0,2,0,0,0,0|1,1,0]=4 5319 B13R1.385 CCSc1ccc(c(c1)F)C(=O)N 62a_100000216903_100000210202 [0,2,0,0,0,0|1,1,0]=4 5320 B13R1.385 CCSc1ccc(c(c1)N)C(=O)C 62a_100011590516_100000210202 [0,2,0,0,0,0|1,1,0]=4 5321 B13R1.385 CCSc1ccc(c(c1)N)C(=O)N 62a_100012349972_100000210202 [0,2,0,0,0,0|1,1,0]=4 5322 B13R1.385 CCSc1ccc(c(c1)O)C(=O)N 62a_100011550861_100000210202 [0,2,0,0,0,0|0,1,0]=3 5323 B13R1.385 CNCc1ccc(c(c1)Br)C(=O)C 26a_100102657272_100012340537 [0,2,0,0,0,0|2,0,0]=4 5324 B13R1.385 CNCc1ccc(c(c1)Cl)C(=O)C 26a_100102657272_100011933989 [0,2,0,0,0,0|2,0,0]=4 5325 B13R1.385 COCc1ccc(c(c1)C)[N+](=O)[O-] 34a_100138415774_100009816690 [0,2,0,0,0,0|2,0,0]=4 5326 B13R1.385 COCc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000032365_200000210301 [0,2,0,0,0,0|2,0,0]=4 5327 B13R1.385 COCc1ccc(c(c1)F)[N+](=O)[O-] 34a_100138415774_100000687068 [0,2,0,0,0,0|2,0,0]=4 5328 B13R1.385 COCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_200000210301 [0,2,0,0,0,0|2,0,0]=4 5329 B13R1.385 Cc1cc(ccc1C(=O)N)NCF 34a_200000751758_100015361967 [0,2,0,0,0,0|2,0,0]=4 5330 B13R1.385 Cc1cc(ccc1C(=O)N)NCF 7a_200000751758_100015361967 [0,2,0,0,0,0|2,0,0]=4 5331 B13R1.385 Cc1cc(ccc1C(=O)N)SCF 62a_100011327924_100015361967 [0,2,0,0,0,0|1,1,0]=4 5332 B13R1.385 Cc1cc(ccc1C(=O)N)SCF 62a_100015361967_100011327924 [0,2,0,0,0,0|1,1,0]=4 5333 B13R1.385 Cc1cc(ccc1[N+](=O)[O-])CO[13CH3] 7a_100000032365_200025704644 [0,2,0,0,0,0|2,0,0]=4 5334 B13R1.385 Cc1cc(ccc1[N+](=O)[O-])OCF 34a_100000195451_100015361967 [0,2,0,0,0,0|2,0,0]=4 5335 B13R1.385 Cc1cc(ccc1[N+](=O)[O-])OCF 7a_100000195451_100015361967 [0,2,0,0,0,0|2,0,0]=4 5336 B13R1.385 NC(=O)c1ccc(cc1Br)SCF 62a_200010146565_100015361967 [0,2,0,0,0,0|1,1,0]=4 5337 B13R1.385 NC(=O)c1ccc(cc1Cl)NCF 34a_100000737725_100015361967 [0,2,0,0,0,0|2,0,0]=4 5338 B13R1.385 NC(=O)c1ccc(cc1Cl)NCF 7a_100000737725_100015361967 [0,2,0,0,0,0|2,0,0]=4 5339 B13R1.385 NC(=O)c1ccc(cc1Cl)OCF 34a_100011997949_100015361967 [0,2,0,0,0,0|1,0,0]=3 5340 B13R1.385 NC(=O)c1ccc(cc1Cl)OCF 7a_100011997949_100015361967 [0,2,0,0,0,0|1,0,0]=3 5341 B13R1.385 NC(=O)c1ccc(cc1F)NCF 34a_100000749959_100015361967 [0,2,0,0,0,0|2,0,0]=4 5342 B13R1.385 NC(=O)c1ccc(cc1F)NCF 7a_100000749959_100015361967 [0,2,0,0,0,0|2,0,0]=4 5343 B13R1.385 NC(=O)c1ccc(cc1F)OCF 34a_200012186767_100015361967 [0,2,0,0,0,0|1,0,0]=3 5344 B13R1.385 NC(=O)c1ccc(cc1F)OCF 7a_200012186767_100015361967 [0,2,0,0,0,0|1,0,0]=3 5345 B13R1.385 NC(=O)c1ccc(cc1F)SCF 62a_100000216903_100015361967 [0,2,0,0,0,0|1,1,0]=4 5346 B13R1.385 NC(=O)c1ccc(cc1N)OCF 34a_100012186684_100015361967 [0,2,0,0,0,0|1,0,0]=3 5347 B13R1.385 NC(=O)c1ccc(cc1N)OCF 7a_100012186684_100015361967 [0,2,0,0,0,0|1,0,0]=3 5348 B13R1.385 NC(=O)c1ccc(cc1N)SCF 62a_100012349972_100015361967 [0,2,0,0,0,0|1,1,0]=4 5349 B13R1.385 NC(=O)c1ccc(cc1O)NCF 34a_100000223280_100015361967 [0,2,0,0,0,0|1,0,0]=3 5350 B13R1.385 NC(=O)c1ccc(cc1O)NCF 7a_100000223280_100015361967 [0,2,0,0,0,0|1,0,0]=3 5351 B13R1.385 NC(=O)c1ccc(cc1O)SCF 62a_100011550861_100015361967 [0,2,0,0,0,0|0,1,0]=3 5352 B13R1.385 Nc1cc(ccc1[N+](=O)[O-])OCF 7a_100000729835_100015361967 [0,2,0,0,0,0|2,0,0]=4 5353 B13R1.385 O=[N+]([O-])c1ccc(cc1Br)OCF 34a_100012356988_100015361967 [0,2,0,0,0,0|2,0,0]=4 5354 B13R1.385 O=[N+]([O-])c1ccc(cc1Br)OCF 7a_100012356988_100015361967 [0,2,0,0,0,0|2,0,0]=4 5355 B13R1.385 O=[N+]([O-])c1ccc(cc1Cl)OCF 34a_100000746235_100015361967 [0,2,0,0,0,0|2,0,0]=4 5356 B13R1.385 O=[N+]([O-])c1ccc(cc1Cl)OCF 7a_100000746235_100015361967 [0,2,0,0,0,0|2,0,0]=4 5357 B13R1.385 O=[N+]([O-])c1ccc(cc1F)OCF 7a_100000745333_100015361967 [0,2,0,0,0,0|2,0,0]=4 5358 B13R1.385 O=[N+]([O-])c1ccc(cc1I)OCF 7a_100010243554_100015361967 [0,2,0,0,0,0|2,0,0]=4 5359 B13R1.385 [13CH3]OCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_200025704644 [0,2,0,0,0,0|2,0,0]=4 5360 B13R1.577 C#CCSc1ccc(c(c1)Br)C=O 62a_100000038162_100010185650 [0,2,0,0,0,0|1,1,0]=4 5361 B13R1.577 C#CCSc1ccc(c(c1)C)C=O 62a_100000038162_100000766358 [0,2,0,0,0,0|1,1,0]=4 5362 B13R1.577 C#CCSc1ccc(c(c1)Cl)C=O 62a_100000038162_100000727542 [0,2,0,0,0,0|1,1,0]=4 5363 B13R1.577 C#CCSc1ccc(c(c1)F)C=O 62a_100000038162_100000211676 [0,2,0,0,0,0|1,1,0]=4 5364 B13R1.577 C#CCSc1ccc(c(c1)O)C=O 62a_100000038162_100011277552 [0,2,0,0,0,0|0,1,0]=3 5365 B13R1.577 C=CCSc1ccc(c(c1)Br)C=O 62a_100000210623_100010185650 [0,2,0,0,0,0|1,1,0]=4 5366 B13R1.577 C=CCSc1ccc(c(c1)Br)C=O 62a_100010185650_100000210623 [0,2,0,0,0,0|1,1,0]=4 5367 B13R1.577 C=CCSc1ccc(c(c1)C)C=O 62a_100000210623_100000766358 [0,2,0,0,0,0|1,1,0]=4 5368 B13R1.577 C=CCSc1ccc(c(c1)C)C=O 62a_100000766358_100000210623 [0,2,0,0,0,0|1,1,0]=4 5369 B13R1.577 C=CCSc1ccc(c(c1)Cl)C=O 62a_100000210623_100000727542 [0,2,0,0,0,0|1,1,0]=4 5370 B13R1.577 C=CCSc1ccc(c(c1)Cl)C=O 62a_100000727542_100000210623 [0,2,0,0,0,0|1,1,0]=4 5371 B13R1.577 C=CCSc1ccc(c(c1)F)C=O 62a_100000210623_100000211676 [0,2,0,0,0,0|1,1,0]=4 5372 B13R1.577 C=CCSc1ccc(c(c1)F)C=O 62a_100000211676_100000210623 [0,2,0,0,0,0|1,1,0]=4 5373 B13R1.577 C=CCSc1ccc(c(c1)N)C=O 62a_100009814810_100000210623 [0,2,0,0,0,0|1,1,0]=4 5374 B13R1.577 C=CCSc1ccc(c(c1)O)C=O 62a_100000210623_100011277552 [0,2,0,0,0,0|0,1,0]=3 5375 B13R1.577 C=CCSc1ccc(c(c1)O)C=O 62a_100011277552_100000210623 [0,2,0,0,0,0|0,1,0]=3 5376 B13R1.577 C=Cc1ccc(cc1C)OCCC 271570a_100011290941_200012361509 [0,2,0,0,0,0|2,0,0]=4 5377 B13R1.577 C=Cc1ccc(cc1F)OCCC 271570a_100011290941_200012236930 [0,2,0,0,0,0|2,0,0]=4 5378 B13R1.577 C=Cc1ccc(cc1F)OCOC 271570a_100011290941_100012265695 [0,2,0,0,0,0|2,0,0]=4 5379 B13R1.577 C=Cc1ccc(cc1F)SCOC 62a_100000766300_100011935271 [0,2,0,0,0,0|2,0,0]=4 5380 B13R1.577 C=Cc1ccc(cc1F)SCOC 62a_100011935271_100000766300 [0,2,0,0,0,0|2,0,0]=4 5381 B13R1.577 CCCCc1ccc(c(c1)Br)C=O 271570a_100020621405_100010185650 [0,2,0,0,0,0|2,0,0]=4 5382 B13R1.577 CCCCc1ccc(c(c1)C)C=O 271570a_100020621405_100000687586 [0,2,0,0,0,0|2,0,0]=4 5383 B13R1.577 CCCCc1ccc(c(c1)Cl)C=O 271570a_100020621405_100000727542 [0,2,0,0,0,0|2,0,0]=4 5384 B13R1.577 CCCCc1ccc(c(c1)F)C=O 271570a_100020621405_100000211676 [0,2,0,0,0,0|2,0,0]=4 5385 B13R1.577 CCCCc1ccc(c(c1)N)C=O 271570a_100020621405_100009814810 [0,2,0,0,0,0|2,0,0]=4 5386 B13R1.577 CCCCc1ccc(c(c1)O)C=O 271570a_100020621405_100011277552 [0,2,0,0,0,0|1,0,0]=3 5387 B13R1.577 CCCSc1ccc(c(c1)Br)C=O 62a_100000210303_100010185650 [0,2,0,0,0,0|1,1,0]=4 5388 B13R1.577 CCCSc1ccc(c(c1)Br)C=O 62a_100010185650_100000210303 [0,2,0,0,0,0|1,1,0]=4 5389 B13R1.577 CCCSc1ccc(c(c1)C)C=O 62a_100000210303_100000766358 [0,2,0,0,0,0|1,1,0]=4 5390 B13R1.577 CCCSc1ccc(c(c1)C)C=O 62a_100000766358_100000210303 [0,2,0,0,0,0|1,1,0]=4 5391 B13R1.577 CCCSc1ccc(c(c1)Cl)C=O 62a_100000210303_100000727542 [0,2,0,0,0,0|1,1,0]=4 5392 B13R1.577 CCCSc1ccc(c(c1)Cl)C=O 62a_100000727542_100000210303 [0,2,0,0,0,0|1,1,0]=4 5393 B13R1.577 CCCSc1ccc(c(c1)F)C=O 62a_100000210303_100000211676 [0,2,0,0,0,0|1,1,0]=4 5394 B13R1.577 CCCSc1ccc(c(c1)F)C=O 62a_100000211676_100000210303 [0,2,0,0,0,0|1,1,0]=4 5395 B13R1.577 CCCSc1ccc(c(c1)N)C=O 62a_100009814810_100000210303 [0,2,0,0,0,0|1,1,0]=4 5396 B13R1.577 CCCSc1ccc(c(c1)O)C=O 62a_100000210303_100011277552 [0,2,0,0,0,0|0,1,0]=3 5397 B13R1.577 CCCSc1ccc(c(c1)O)C=O 62a_100011277552_100000210303 [0,2,0,0,0,0|0,1,0]=3 5398 B13R1.577 CCNCc1ccc(c(c1)F)C=O 2230a_100015525214_100010142638 [0,2,0,0,0,0|2,0,0]=4 5399 B13R1.577 CCOCc1ccc(c(c1)F)C=O 34a_100121572206_100010142638 [0,2,0,0,0,0|1,0,0]=3 5400 B13R1.577 CCSCc1ccc(c(c1)F)C=O 62a_100000210202_100010142638 [0,2,0,0,0,0|1,1,0]=4 5401 B13R1.577 CCSCc1ccc(c(c1)F)C=O 62a_100010142638_100000210202 [0,2,0,0,0,0|1,1,0]=4 5402 B13R1.577 COCOc1ccc(c(c1)O)OC 271570a_203496583355_200161107199 [0,2,0,0,0,0|2,0,0]=4 5403 B13R1.577 COCSc1cc(c(cn1)C=O)C 62a_100000085382_100000766300 [0,2,0,0,0,0|2,0,0]=4 5404 B13R1.577 COCSc1cc(c(cn1)C=O)C 62a_100000766300_100000085382 [0,2,0,0,0,0|2,0,0]=4 5405 B13R1.577 COCSc1cc(c(cn1)C=O)N 62a_100000050503_100000766300 [0,2,0,0,0,0|2,0,0]=4 5406 B13R1.577 COCSc1cc(c(cn1)C=O)N 62a_100000766300_100000050503 [0,2,0,0,0,0|2,0,0]=4 5407 B13R1.577 COCSc1ccc(c(c1)Br)C=O 62a_100000766300_100010185650 [0,2,0,0,0,0|1,0,0]=3 5408 B13R1.577 COCSc1ccc(c(c1)Br)C=O 62a_100010185650_100000766300 [0,2,0,0,0,0|1,0,0]=3 5409 B13R1.577 COCSc1ccc(c(c1)C)C=O 62a_100000766300_100000766358 [0,2,0,0,0,0|1,0,0]=3 5410 B13R1.577 COCSc1ccc(c(c1)C)C=O 62a_100000766358_100000766300 [0,2,0,0,0,0|1,0,0]=3 5411 B13R1.577 COCSc1ccc(c(c1)Cl)C=O 62a_100000727542_100000766300 [0,2,0,0,0,0|1,0,0]=3 5412 B13R1.577 COCSc1ccc(c(c1)Cl)C=O 62a_100000766300_100000727542 [0,2,0,0,0,0|1,0,0]=3 5413 B13R1.577 COCSc1ccc(c(c1)F)C=O 62a_100000211676_100000766300 [0,2,0,0,0,0|1,0,0]=3 5414 B13R1.577 COCSc1ccc(c(c1)F)C=O 62a_100000766300_100000211676 [0,2,0,0,0,0|1,0,0]=3 5415 B13R1.577 COCSc1ccc(c(c1)N)C=O 62a_100009814810_100000766300 [0,2,0,0,0,0|1,0,0]=3 5416 B13R1.577 COCSc1ccc(c(c1)O)C#N 62a_100000766300_100011934713 [0,2,0,0,0,0|1,0,1]=4 5417 B13R1.577 COCSc1ccc(c(c1)O)C=O 62a_100000766300_100011277552 [0,2,0,0,0,0|0,0,0]=2 5418 B13R1.577 COCSc1ccc(c(c1)O)C=O 62a_100011277552_100000766300 [0,2,0,0,0,0|0,0,0]=2 5419 B13R1.577 COCSc1ccc(c(c1)O)CO 62a_100000071718_100000766300 [0,2,0,0,0,0|0,0,2]=4 5420 B13R1.577 COCSc1ccc(c(c1)O)CO 62a_100000766300_100000071718 [0,2,0,0,0,0|0,0,2]=4 5421 B13R1.577 COCSc1ccc(c(c1)O)OC 62a_100000766300_100009816560 [0,2,0,0,0,0|2,0,0]=4 5422 B13R1.577 COCSc1ccc(c(n1)C)C=O 62a_100000050599_100000766300 [0,2,0,0,0,0|2,0,0]=4 5423 B13R1.577 COCSc1ccc(c(n1)C)C=O 62a_100000766300_100000050599 [0,2,0,0,0,0|2,0,0]=4 5424 B13R1.577 COCSc1ccc(c(n1)F)C=O 62a_100000766300_100010064369 [0,2,0,0,0,0|2,0,0]=4 5425 B13R1.577 COCSc1ccc(c(n1)F)C=O 62a_100010064369_100000766300 [0,2,0,0,0,0|2,0,0]=4 5426 B13R1.577 COCSc1cnc(c(c1)C)C=O 62a_100000766300_100010185443 [0,2,0,0,0,0|2,0,0]=4 5427 B13R1.577 COCSc1cnc(c(c1)C)C=O 62a_100010185443_100000766300 [0,2,0,0,0,0|2,0,0]=4 5428 B13R1.577 COCSc1cnc(c(c1)F)C=O 62a_100000766300_100010180630 [0,2,0,0,0,0|2,0,0]=4 5429 B13R1.577 COCSc1cnc(c(c1)F)C=O 62a_100010180630_100000766300 [0,2,0,0,0,0|2,0,0]=4 5430 B13R1.577 CSCSc1ccc(c(c1)Br)C=O 62a_100010185650_100011218213 [0,2,0,0,0,0|1,1,0]=4 5431 B13R1.577 CSCSc1ccc(c(c1)Br)C=O 62a_100011218213_100010185650 [0,2,0,0,0,0|1,1,0]=4 5432 B13R1.577 CSCSc1ccc(c(c1)C)C=O 62a_100000766358_100011218213 [0,2,0,0,0,0|1,1,0]=4 5433 B13R1.577 CSCSc1ccc(c(c1)C)C=O 62a_100011218213_100000766358 [0,2,0,0,0,0|1,1,0]=4 5434 B13R1.577 CSCSc1ccc(c(c1)Cl)C=O 62a_100000727542_100011218213 [0,2,0,0,0,0|1,1,0]=4 5435 B13R1.577 CSCSc1ccc(c(c1)Cl)C=O 62a_100011218213_100000727542 [0,2,0,0,0,0|1,1,0]=4 5436 B13R1.577 CSCSc1ccc(c(c1)F)C=O 62a_100000211676_100011218213 [0,2,0,0,0,0|1,1,0]=4 5437 B13R1.577 CSCSc1ccc(c(c1)F)C=O 62a_100011218213_100000211676 [0,2,0,0,0,0|1,1,0]=4 5438 B13R1.577 CSCSc1ccc(c(c1)N)C=O 62a_100009814810_100011218213 [0,2,0,0,0,0|1,1,0]=4 5439 B13R1.577 CSCSc1ccc(c(c1)O)C=O 62a_100011218213_100011277552 [0,2,0,0,0,0|0,1,0]=3 5440 B13R1.577 CSCSc1ccc(c(c1)O)C=O 62a_100011277552_100011218213 [0,2,0,0,0,0|0,1,0]=3 5441 B13R1.577 Cc1cc(ccc1C=O)SCC#N 62a_100000766358_100011215382 [0,2,0,0,0,0|1,1,0]=4 5442 B13R1.577 Cc1cc(ccc1C=O)SCC#N 62a_100011215382_100000766358 [0,2,0,0,0,0|1,1,0]=4 5443 B13R1.577 Cc1cc(ccc1C=O)SCC=O 62a_100000766358_200015260668 [0,2,0,0,0,0|1,1,0]=4 5444 B13R1.577 Cc1cc(ccc1C=O)SCC=O 62a_200015260668_100000766358 [0,2,0,0,0,0|1,1,0]=4 5445 B13R1.577 Cc1cc(ccc1C=O)SCCF 62a_100000766358_100011217306 [0,2,0,0,0,0|1,1,0]=4 5446 B13R1.577 Cc1cc(ccc1C=O)SCCF 62a_100011217306_100000766358 [0,2,0,0,0,0|1,1,0]=4 5447 B13R1.577 Cc1cc(ccc1C=O)SCCO 62a_100000211926_100000766358 [0,2,0,0,0,0|1,1,0]=4 5448 B13R1.577 Cc1cc(ccc1C=O)SCCO 62a_100000766358_100000211926 [0,2,0,0,0,0|1,1,0]=4 5449 B13R1.577 N#CCSc1ccc(c(c1)Br)C=O 62a_100010185650_100011215382 [0,2,0,0,0,0|1,1,0]=4 5450 B13R1.577 N#CCSc1ccc(c(c1)Br)C=O 62a_100011215382_100010185650 [0,2,0,0,0,0|1,1,0]=4 5451 B13R1.577 N#CCSc1ccc(c(c1)Cl)C=O 62a_100000727542_100011215382 [0,2,0,0,0,0|1,1,0]=4 5452 B13R1.577 N#CCSc1ccc(c(c1)Cl)C=O 62a_100011215382_100000727542 [0,2,0,0,0,0|1,1,0]=4 5453 B13R1.577 N#CCSc1ccc(c(c1)F)C=O 62a_100000211676_100011215382 [0,2,0,0,0,0|1,1,0]=4 5454 B13R1.577 N#CCSc1ccc(c(c1)F)C=O 62a_100011215382_100000211676 [0,2,0,0,0,0|1,1,0]=4 5455 B13R1.577 N#CCSc1ccc(c(c1)N)C=O 62a_100009814810_100011215382 [0,2,0,0,0,0|1,1,0]=4 5456 B13R1.577 N#CCSc1ccc(c(c1)O)C=O 62a_100011215382_100011277552 [0,2,0,0,0,0|0,1,0]=3 5457 B13R1.577 N#CCSc1ccc(c(c1)O)C=O 62a_100011277552_100011215382 [0,2,0,0,0,0|0,1,0]=3 5458 B13R1.577 Nc1cc(ccc1C=O)SCC=O 62a_100009814810_200015260668 [0,2,0,0,0,0|1,1,0]=4 5459 B13R1.577 Nc1cc(ccc1C=O)SCCF 62a_100009814810_100011217306 [0,2,0,0,0,0|1,1,0]=4 5460 B13R1.577 Nc1cc(ccc1C=O)SCCO 62a_100009814810_100000211926 [0,2,0,0,0,0|1,1,0]=4 5461 B13R1.577 O=CCSc1ccc(c(c1)Br)C=O 62a_100010185650_200015260668 [0,2,0,0,0,0|1,1,0]=4 5462 B13R1.577 O=CCSc1ccc(c(c1)Br)C=O 62a_200015260668_100010185650 [0,2,0,0,0,0|1,1,0]=4 5463 B13R1.577 O=CCSc1ccc(c(c1)Cl)C=O 62a_100000727542_200015260668 [0,2,0,0,0,0|1,1,0]=4 5464 B13R1.577 O=CCSc1ccc(c(c1)Cl)C=O 62a_200015260668_100000727542 [0,2,0,0,0,0|1,1,0]=4 5465 B13R1.577 O=CCSc1ccc(c(c1)F)C=O 62a_100000211676_200015260668 [0,2,0,0,0,0|1,1,0]=4 5466 B13R1.577 O=CCSc1ccc(c(c1)F)C=O 62a_200015260668_100000211676 [0,2,0,0,0,0|1,1,0]=4 5467 B13R1.577 O=CCSc1ccc(c(c1)O)C=O 62a_100011277552_200015260668 [0,2,0,0,0,0|0,1,0]=3 5468 B13R1.577 O=CCSc1ccc(c(c1)O)C=O 62a_200015260668_100011277552 [0,2,0,0,0,0|0,1,0]=3 5469 B13R1.577 O=Cc1ccc(cc1Br)SCCF 62a_100010185650_100011217306 [0,2,0,0,0,0|1,1,0]=4 5470 B13R1.577 O=Cc1ccc(cc1Br)SCCF 62a_100011217306_100010185650 [0,2,0,0,0,0|1,1,0]=4 5471 B13R1.577 O=Cc1ccc(cc1Br)SCCO 62a_100000211926_100010185650 [0,2,0,0,0,0|1,1,0]=4 5472 B13R1.577 O=Cc1ccc(cc1Br)SCCO 62a_100010185650_100000211926 [0,2,0,0,0,0|1,1,0]=4 5473 B13R1.577 O=Cc1ccc(cc1Cl)SCCF 62a_100000727542_100011217306 [0,2,0,0,0,0|1,1,0]=4 5474 B13R1.577 O=Cc1ccc(cc1Cl)SCCF 62a_100011217306_100000727542 [0,2,0,0,0,0|1,1,0]=4 5475 B13R1.577 O=Cc1ccc(cc1Cl)SCCO 62a_100000211926_100000727542 [0,2,0,0,0,0|1,1,0]=4 5476 B13R1.577 O=Cc1ccc(cc1Cl)SCCO 62a_100000727542_100000211926 [0,2,0,0,0,0|1,1,0]=4 5477 B13R1.577 O=Cc1ccc(cc1F)CSCF 62a_100010142638_100015361967 [0,2,0,0,0,0|1,1,0]=4 5478 B13R1.577 O=Cc1ccc(cc1F)CSCF 62a_100015361967_100010142638 [0,2,0,0,0,0|1,1,0]=4 5479 B13R1.577 O=Cc1ccc(cc1F)SCCF 62a_100000211676_100011217306 [0,2,0,0,0,0|1,1,0]=4 5480 B13R1.577 O=Cc1ccc(cc1F)SCCF 62a_100011217306_100000211676 [0,2,0,0,0,0|1,1,0]=4 5481 B13R1.577 O=Cc1ccc(cc1F)SCCO 62a_100000211676_100000211926 [0,2,0,0,0,0|1,1,0]=4 5482 B13R1.577 O=Cc1ccc(cc1F)SCCO 62a_100000211926_100000211676 [0,2,0,0,0,0|1,1,0]=4 5483 B13R1.577 O=Cc1ccc(cc1O)SCCF 62a_100011217306_100011277552 [0,2,0,0,0,0|0,1,0]=3 5484 B13R1.577 O=Cc1ccc(cc1O)SCCF 62a_100011277552_100011217306 [0,2,0,0,0,0|0,1,0]=3 5485 B13R1.577 O=Cc1ccc(cc1O)SCCO 62a_100000211926_100011277552 [0,2,0,0,0,0|0,1,0]=3 5486 B13R1.577 O=Cc1ccc(cc1O)SCCO 62a_100011277552_100000211926 [0,2,0,0,0,0|0,1,0]=3 5487 B13R1.4031 C=C=Cc1cc(c(c(c1)F)C=O)O 271570a_100015277604_100010762571 [0,2,0,0,0,0|1,0,1]=4 5488 B13R1.4031 CC=Cc1cc(c(c(c1)C)C=O)C 271570a_100016259895_100010238521 [0,2,0,0,0,0|2,0,0]=4 5489 B13R1.4031 CC=Cc1cc(c(c(c1)Cl)C=O)Cl 271570a_100016259895_200011001975 [0,2,0,0,0,0|2,0,0]=4 5490 B13R1.4031 CC=Cc1cc(c(c(c1)F)C=O)F 271570a_100016259895_100000036707 [0,2,0,0,0,0|2,0,0]=4 5491 B13R1.4031 CC=Cc1cc(c(c(c1)F)C=O)O 271570a_100016259895_100010762571 [0,2,0,0,0,0|1,0,0]=3 5492 B13R1.4031 CCSc1cc(c(c(c1)C)C=O)C 62a_100000210202_100010238521 [0,2,0,0,0,0|1,1,0]=4 5493 B13R1.4031 CCSc1cc(c(c(c1)C)C=O)C 62a_100010238521_100000210202 [0,2,0,0,0,0|1,1,0]=4 5494 B13R1.4031 CCSc1cc(c(c(c1)Cl)C=O)Cl 62a_100000210202_200011001975 [0,2,0,0,0,0|1,1,0]=4 5495 B13R1.4031 CCSc1cc(c(c(c1)Cl)C=O)Cl 62a_200011001975_100000210202 [0,2,0,0,0,0|1,1,0]=4 5496 B13R1.4031 CCSc1cc(c(c(c1)F)C=O)F 62a_100000036707_100000210202 [0,2,0,0,0,0|1,1,0]=4 5497 B13R1.4031 CCSc1cc(c(c(c1)F)C=O)F 62a_100000210202_100000036707 [0,2,0,0,0,0|1,1,0]=4 5498 B13R1.4031 CCSc1cc(c(c(c1)F)C=O)O 62a_100000210202_100010762571 [0,2,0,0,0,0|0,1,0]=3 5499 B13R1.4031 CCSc1cc(c(c(c1)F)C=O)O 62a_100010762571_100000210202 [0,2,0,0,0,0|0,1,0]=3 5500 B13R1.4031 Cc1cc(cc(c1C=O)C)SCF 62a_100010238521_100015361967 [0,2,0,0,0,0|1,1,0]=4 5501 B13R1.4031 Cc1cc(cc(c1C=O)C)SCF 62a_100015361967_100010238521 [0,2,0,0,0,0|1,1,0]=4 5502 B13R1.4031 O=Cc1c(cc(cc1Cl)SCF)Cl 62a_100015361967_200011001975 [0,2,0,0,0,0|1,1,0]=4 5503 B13R1.4031 O=Cc1c(cc(cc1Cl)SCF)Cl 62a_200011001975_100015361967 [0,2,0,0,0,0|1,1,0]=4 5504 B13R1.4031 O=Cc1c(cc(cc1F)SCF)F 62a_100000036707_100015361967 [0,2,0,0,0,0|1,1,0]=4 5505 B13R1.4031 O=Cc1c(cc(cc1F)SCF)F 62a_100015361967_100000036707 [0,2,0,0,0,0|1,1,0]=4 5506 B13R1.4031 O=Cc1c(cc(cc1F)SCF)O 62a_100010762571_100015361967 [0,2,0,0,0,0|0,1,0]=3 5507 B13R1.4031 O=Cc1c(cc(cc1F)SCF)O 62a_100015361967_100010762571 [0,2,0,0,0,0|0,1,0]=3 5508 B13R1.426 COc1c(cc(c(c1C)C)N=O)C 34a_200010661533_200000210301 [0,2,0,0,0,0|2,0,0]=4 5509 B13R1.426 COc1c(cc(c(c1C)C)N=O)C 7a_200010661533_200000210301 [0,2,0,0,0,0|2,0,0]=4 5510 B13R1.426 CSc1cc(c(c(c1F)F)C=O)F 62a_100009813757_200000210301 [0,2,0,0,0,0|1,1,0]=4 5511 B13R1.426 CSc1cc(c(c(c1F)F)C=O)F 62a_200000210301_100009813757 [0,2,0,0,0,0|1,1,0]=4 5512 B13R1.426 Cc1cc(c(c(c1O[13CH3])C)C)N=O 34a_200010661533_200025704644 [0,2,0,0,0,0|2,0,0]=4 5513 B13R1.426 Cc1cc(c(c(c1O[13CH3])C)C)N=O 7a_200010661533_200025704644 [0,2,0,0,0,0|2,0,0]=4 5514 B13R1.426 [13CH3]Sc1cc(c(c(c1F)F)C=O)F 62a_100009813757_200025704644 [0,2,0,0,0,0|1,1,0]=4 5515 B13R1.426 [13CH3]Sc1cc(c(c(c1F)F)C=O)F 62a_200025704644_100009813757 [0,2,0,0,0,0|1,1,0]=4 5516 B13R1.428 C=C(C)c1c(cc(cc1C)OC)C 271570a_100000694244_100012160682 [0,2,0,0,0,0|2,0,0]=4 5517 B13R1.428 C=C(C)c1c(cc(cc1F)OC)F 271570a_100000694244_100011218311 [0,2,0,0,0,0|2,0,0]=4 5518 B13R1.428 C=Cc1cc(c(c(c1)F)C(=O)C)O 271570a_100011290941_100010734142 [0,2,0,0,0,0|1,0,1]=4 5519 B13R1.428 CC(=O)c1c(cc(cc1F)S[13CH3])F 62a_100012706838_200025704644 [0,2,0,0,0,0|1,1,0]=4 5520 B13R1.428 CC(=O)c1c(cc(cc1F)S[13CH3])F 62a_200025704644_100012706838 [0,2,0,0,0,0|1,1,0]=4 5521 B13R1.428 CC(=O)c1c(cc(cc1F)S[13CH3])O 62a_200025704644_100010734142 [0,2,0,0,0,0|0,1,0]=3 5522 B13R1.428 CNc1cc(c(c(c1)F)C(=O)N)C 27a_100102657272_100016096366 [0,2,0,0,0,0|2,0,0]=4 5523 B13R1.428 CNc1cc(c(c(c1)F)C(=O)N)F 27a_100102657272_100000695656 [0,2,0,0,0,0|2,0,0]=4 5524 B13R1.428 COc1cc(c(c(c1)C)C(=O)C)C 1458a_100000077298_200000210301 [0,2,0,0,0,0|1,0,0]=3 5525 B13R1.428 COc1cc(c(c(c1)C)C(=O)[13CH3])C 1458a_100000077298_200025704644 [0,2,0,0,0,0|1,0,0]=3 5526 B13R1.428 COc1cc(c(c(c1)C)[N+](=O)[O-])C 34a_100012186654_200000210301 [0,2,0,0,0,0|2,0,0]=4 5527 B13R1.428 COc1cc(c(c(c1)C)[N+](=O)[O-])C 7a_100012186654_200000210301 [0,2,0,0,0,0|2,0,0]=4 5528 B13R1.428 COc1cc(c(c(c1)F)C(=O)C)F 1458a_100011216705_200000210301 [0,2,0,0,0,0|1,0,0]=3 5529 B13R1.428 COc1cc(c(c(c1)F)C(=O)[13CH3])F 1458a_100011216705_200025704644 [0,2,0,0,0,0|1,0,0]=3 5530 B13R1.428 CSc1cc(c(c(c1)F)C(=O)C)F 62a_100012706838_200000210301 [0,2,0,0,0,0|1,1,0]=4 5531 B13R1.428 CSc1cc(c(c(c1)F)C(=O)C)F 62a_200000210301_100012706838 [0,2,0,0,0,0|1,1,0]=4 5532 B13R1.428 CSc1cc(c(c(c1)F)C(=O)C)O 62a_200000210301_100010734142 [0,2,0,0,0,0|0,1,0]=3 5533 B13R1.428 CSc1cc(c(c(c1)F)C(=O)N)C 62a_100016096366_200000210301 [0,2,0,0,0,0|1,1,0]=4 5534 B13R1.428 CSc1cc(c(c(c1)F)C(=O)N)C 62a_200000210301_100016096366 [0,2,0,0,0,0|1,1,0]=4 5535 B13R1.428 CSc1cc(c(c(c1)F)C(=O)N)F 62a_100000695656_200000210301 [0,2,0,0,0,0|1,1,0]=4 5536 B13R1.428 CSc1cc(c(c(c1)F)C(=O)N)F 62a_200000210301_100000695656 [0,2,0,0,0,0|1,1,0]=4 5537 B13R1.428 Cc1cc(cc(c1C(=O)N)F)S[13CH3] 62a_100016096366_200025704644 [0,2,0,0,0,0|1,1,0]=4 5538 B13R1.428 Cc1cc(cc(c1C(=O)N)F)S[13CH3] 62a_200025704644_100016096366 [0,2,0,0,0,0|1,1,0]=4 5539 B13R1.428 Cc1cc(cc(c1[N+](=O)[O-])C)O[13CH3] 34a_100012186654_200025704644 [0,2,0,0,0,0|2,0,0]=4 5540 B13R1.428 Cc1cc(cc(c1[N+](=O)[O-])C)O[13CH3] 7a_100012186654_200025704644 [0,2,0,0,0,0|2,0,0]=4 5541 B13R1.428 [13CH3]Sc1cc(c(c(c1)F)C(=O)N)F 62a_100000695656_200025704644 [0,2,0,0,0,0|1,1,0]=4 5542 B13R1.428 [13CH3]Sc1cc(c(c(c1)F)C(=O)N)F 62a_200025704644_100000695656 [0,2,0,0,0,0|1,1,0]=4 5543 B13R1.96 COc1ccc(c(c1)O)C(F)(F)F 271570a_203496583355_100010231407 [0,2,0,0,0,0|1,0,1]=4 5544 B13R1.96 COc1ccc(c(c1)O)S(=O)(=O)C 271570a_203496583355_100021291132 [0,2,0,0,0,0|1,0,0]=3 5545 B11R1.72 Cc1ccc(c(c1F)C=O)O 271570a_203496583355_100000039034 [0,0,1,1,0,0|2,0,0]=4 5546 B11R1.13 CC=Cc1cccc(=O)n1C 271570a_100016259895_100000726605 [0,0,1,1,0,0|2,0,0]=4 5547 B11R1.189 CC=Cc1cc(ccn1)OC 271570a_100016259895_100011216251 [0,0,1,1,0,0|2,0,0]=4 5548 B11R1.189 CC=Cc1cccc(c1)OC 271570a_100016259895_100000170001 [0,0,1,1,0,0|2,0,0]=4 5549 B11R1.265 C=Cc1c(cccc1OC)Br 271570a_100011290941_100010131421 [0,0,1,1,0,0|2,0,0]=4 5550 B11R1.265 C=Cc1c(cccc1OC)F 271570a_100011290941_100000041735 [0,0,1,1,0,0|2,0,0]=4 5551 B11R1.265 C=Cc1c(cccc1OC)N 271570a_100011290941_100000703447 [0,0,1,1,0,0|2,0,0]=4 5552 B11R1.265 C=Cc1c(cccc1OC)O 271570a_100011290941_100010202623 [0,0,1,1,0,0|1,0,1]=4 5553 B11R1.265 COc1cccc(c1C=O)O 271570a_203496583355_100009814803 [0,0,1,1,0,0|0,0,2]=4 5554 B11R1.265 COc1cccc(c1CO)C 34a_200009874777_200000210301 [0,0,1,1,0,0|1,0,1]=4 5555 B11R1.265 COc1cccc(c1CO)C 7a_200009874777_200000210301 [0,0,1,1,0,0|1,0,1]=4 5556 B11R1.265 Cc1cccc(c1CO)O[13CH3] 34a_200009874777_200025704644 [0,0,1,1,0,0|1,0,1]=4 5557 B11R1.265 Cc1cccc(c1CO)O[13CH3] 7a_200009874777_200025704644 [0,0,1,1,0,0|1,0,1]=4 5558 B11R1.8 C=Cc1cc(cc(c1C)C)O 271570a_100011290941_100010068915 [0,0,1,1,0,0|2,0,0]=4 5559 B11R1.8 COc1cc(cc(c1F)C)O 271570a_203496583355_100010271686 [0,0,1,1,0,0|2,0,0]=4 5560 B11R1.8 COc1cc(cc(c1F)F)O 271570a_203496583355_100011218012 [0,0,1,1,0,0|2,0,0]=4 5561 B11R1.8 COc1cc(cc(c1F)O)O 271570a_203496583355_200015524394 [0,0,1,1,0,0|1,0,1]=4 5562 B11R1.8 COc1cc(cc(c1N)C)O 271570a_203496583355_100000741850 [0,0,1,1,0,0|2,0,0]=4 5563 B11R1.44 C=Cc1coc(c1)C(=O)OC 271570a_100011290941_100009992624 [0,0,1,1,0,0|2,0,0]=4 5564 B11R1.159 C=C(C)c1cccn(c1=O)C 271570a_100000694244_100000687173 [0,0,1,1,0,0|2,0,0]=4 5565 B11R2.190 C=Cc1ccc2c(c1)CC2 271570a_100011290941_100009818592 [1,0,0,1,0,0|2,0,0]=4 5566 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [1,0,0,1,0,0|2,0,0]=4 5567 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [1,0,0,1,0,0|1,0,1]=4 5568 B11R2.36 Oc1ccc2c(c1)OCO2 271570a_203496583355_100000688060 [1,0,0,1,0,0|2,0,0]=4 5569 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [1,0,0,1,0,0|2,0,0]=4 5570 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [1,0,0,1,0,0|1,0,0]=3 5571 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [1,0,0,1,0,0|1,1,0]=4 5572 B11R2.36 Oc1ccc2cn[nH]c2c1 271570a_203496583355_100000049514 [1,0,0,1,0,0|2,0,0]=4 5573 B11R2.36 Oc1ccc2cnoc2c1 271570a_203496583355_100009817722 [1,0,0,1,0,0|1,0,0]=3 5574 B11R2.36 Oc1ccc2cscc2c1 271570a_203496583355_200010760811 [1,0,0,1,0,0|1,1,0]=4 5575 B11R2.36 Oc1ccc2csnc2c1 271570a_203496583355_100010170880 [1,0,0,1,0,0|1,1,0]=4 5576 B11R2.36 Oc1ccc2ncoc2c1 271570a_203496583355_100009817590 [1,0,0,1,0,0|2,0,0]=4 5577 B13R2.430 C=C(C)c1ccc2ccoc2c1 271570a_100000694244_100000759542 [0,1,0,1,0,0|2,0,0]=4 5578 B13R2.430 C=C(C)c1ccc2cnoc2c1 271570a_100000694244_100009817722 [0,1,0,1,0,0|2,0,0]=4 5579 B13R2.430 CC(=O)c1ccc2ccoc2c1 1458a_100000077109_200000210301 [0,1,0,1,0,0|2,0,0]=4 5580 B13R2.430 [13CH3]C(=O)c1ccc2ccoc2c1 1458a_100000077109_200025704644 [0,1,0,1,0,0|2,0,0]=4 5581 B13R2.2396 Cc1cc(ccc1C=O)C2CC2 271570a_100011220607_100000687586 [0,1,0,1,0,0|2,0,0]=4 5582 B13R2.2396 Nc1cc(ccc1C=O)C2CC2 271570a_100011220607_100009814810 [0,1,0,1,0,0|2,0,0]=4 5583 B13R2.2396 O=Cc1ccc(cc1Br)C2CC2 271570a_100011220607_100010185650 [0,1,0,1,0,0|2,0,0]=4 5584 B13R2.2396 O=Cc1ccc(cc1Cl)C2CC2 271570a_100011220607_100000727542 [0,1,0,1,0,0|2,0,0]=4 5585 B13R2.2396 O=Cc1ccc(cc1F)C2CC2 271570a_100011220607_100000211676 [0,1,0,1,0,0|2,0,0]=4 5586 B13R2.2396 O=Cc1ccc(cc1O)C2CC2 271570a_100011220607_100011277552 [0,1,0,1,0,0|1,0,0]=3 5587 B13R2.57 COc1ccc2c(c1)OCCO2 34a_100000234341_200000210301 [0,1,0,1,0,0|1,0,1]=4 5588 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [0,1,0,1,0,0|2,0,0]=4 5589 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [0,1,0,1,0,0|2,0,0]=4 5590 B13R2.57 COc1ccc2cccnc2c1 34a_100011216045_200000210301 [0,1,0,1,0,0|2,0,0]=4 5591 B13R2.57 COc1ccc2ccncc2c1 7a_100000752006_200000210301 [0,1,0,1,0,0|2,0,0]=4 5592 B13R2.57 COc1ccc2cnccc2c1 34a_100000046372_200000210301 [0,1,0,1,0,0|2,0,0]=4 5593 B13R2.57 COc1ccc2cnccc2c1 7a_100000046372_200000210301 [0,1,0,1,0,0|2,0,0]=4 5594 B13R2.57 COc1ccc2ncccc2c1 34a_100011215586_200000210301 [0,1,0,1,0,0|2,0,0]=4 5595 B13R2.57 COc1ccc2ncccc2c1 7a_100011215586_200000210301 [0,1,0,1,0,0|2,0,0]=4 5596 B13R2.57 COc1ccc2nccnc2c1 34a_100000694412_200000210301 [0,1,0,1,0,0|2,0,0]=4 5597 B13R2.57 [13CH3]Oc1ccc2c(c1)OCCO2 34a_100000234341_200025704644 [0,1,0,1,0,0|1,0,1]=4 5598 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [0,1,0,1,0,0|2,0,0]=4 5599 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [0,1,0,1,0,0|2,0,0]=4 5600 B13R2.57 [13CH3]Oc1ccc2cccnc2c1 34a_100011216045_200025704644 [0,1,0,1,0,0|2,0,0]=4 5601 B13R2.57 [13CH3]Oc1ccc2ccncc2c1 7a_100000752006_200025704644 [0,1,0,1,0,0|2,0,0]=4 5602 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 34a_100000046372_200025704644 [0,1,0,1,0,0|2,0,0]=4 5603 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 7a_100000046372_200025704644 [0,1,0,1,0,0|2,0,0]=4 5604 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 34a_100011215586_200025704644 [0,1,0,1,0,0|2,0,0]=4 5605 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 7a_100011215586_200025704644 [0,1,0,1,0,0|2,0,0]=4 5606 B13R2.57 [13CH3]Oc1ccc2nccnc2c1 34a_100000694412_200025704644 [0,1,0,1,0,0|2,0,0]=4 5607 B13R2.669 COc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100012353730 [0,1,0,1,0,0|2,0,0]=4 5608 B13R2.669 COc1ccc2cnn(c2c1)C 34a_100009862793_200000210301 [0,1,0,1,0,0|2,0,0]=4 5609 B13R2.669 Cn1ncc2c1cc(cc2)O[13CH3] 34a_100009862793_200025704644 [0,1,0,1,0,0|2,0,0]=4 5610 B13R2.2130 C=Cc1ccc2c(c1)COC2=O 271570a_100011290941_100009816608 [0,1,0,1,0,0|1,0,1]=4 5611 B13R2.2130 C=Cc1ccc2c(c1)OCC2=O 271570a_100011290941_100000686717 [0,1,0,1,0,0|1,0,1]=4 5612 B13R2.2130 COc1ccc2c(c1)CCC2=O 34a_100000708912_200000210301 [0,1,0,1,0,0|1,0,0]=3 5613 B13R2.2130 COc1ccc2c(c1)CCC2=O 7a_100000708912_200000210301 [0,1,0,1,0,0|1,0,0]=3 5614 B13R2.2130 COc1ccc2c(c1)CNC2=O 34a_100000098542_200000210301 [0,1,0,1,0,0|1,0,0]=3 5615 B13R2.2130 COc1ccc2c(c1)COC2=O 7a_100000044543_200000210301 [0,1,0,1,0,0|0,0,0]=2 5616 B13R2.2130 COc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100000049672 [0,1,0,1,0,0|1,0,1]=4 5617 B13R2.2130 COc1ccc2c(noc2c1)C 34a_200000076027_200000210301 [0,1,0,1,0,0|1,0,0]=3 5618 B13R2.2130 CSc1ccc2c(=O)[nH][nH]c2c1 62a_200000210301_100012353722 [0,1,0,1,0,0|1,1,0]=4 5619 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_100010210589_200000210301 [0,1,0,1,0,0|1,1,0]=4 5620 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_200000210301_100010210589 [0,1,0,1,0,0|1,1,0]=4 5621 B13R2.2130 CSc1ccc2c(c1)CCC2=O 62a_100000737041_200000210301 [0,1,0,1,0,0|1,1,0]=4 5622 B13R2.2130 CSc1ccc2c(c1)CCC2=O 62a_200000210301_100000737041 [0,1,0,1,0,0|1,1,0]=4 5623 B13R2.2130 CSc1ccc2c(c1)CNC2=O 62a_100000692135_200000210301 [0,1,0,1,0,0|1,1,0]=4 5624 B13R2.2130 CSc1ccc2c(c1)CNC2=O 62a_200000210301_100000692135 [0,1,0,1,0,0|1,1,0]=4 5625 B13R2.2130 CSc1ccc2c(c1)COC2=O 62a_100009816608_200000210301 [0,1,0,1,0,0|0,1,0]=3 5626 B13R2.2130 CSc1ccc2c(c1)OCC2=O 62a_200000210301_100000686717 [0,1,0,1,0,0|0,1,0]=3 5627 B13R2.2130 CSc1ccc2c(coc2c1)C 62a_200000210301_100010775837 [0,1,0,1,0,0|1,1,0]=4 5628 B13R2.2130 CSc1ccc2c(noc2c1)C 62a_100009815287_200000210301 [0,1,0,1,0,0|1,1,0]=4 5629 B13R2.2130 CSc1ccc2c(noc2c1)C 62a_200000210301_100009815287 [0,1,0,1,0,0|1,1,0]=4 5630 B13R2.2130 CSc1ccc2c(noc2c1)N 62a_100012356334_200000210301 [0,1,0,1,0,0|1,1,0]=4 5631 B13R2.2130 CSc1ccc2c(noc2c1)N 62a_200000210301_100012356334 [0,1,0,1,0,0|1,1,0]=4 5632 B13R2.2130 Cc1coc2c1ccc(c2)S[13CH3] 62a_200025704644_100010775837 [0,1,0,1,0,0|1,1,0]=4 5633 B13R2.2130 Cc1noc2c1ccc(c2)O[13CH3] 34a_200000076027_200025704644 [0,1,0,1,0,0|1,0,0]=3 5634 B13R2.2130 Cc1noc2c1ccc(c2)S[13CH3] 62a_100009815287_200025704644 [0,1,0,1,0,0|1,1,0]=4 5635 B13R2.2130 Cc1noc2c1ccc(c2)S[13CH3] 62a_200025704644_100009815287 [0,1,0,1,0,0|1,1,0]=4 5636 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 34a_100000708912_200025704644 [0,1,0,1,0,0|1,0,0]=3 5637 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 7a_100000708912_200025704644 [0,1,0,1,0,0|1,0,0]=3 5638 B13R2.2130 [13CH3]Oc1ccc2c(c1)CNC2=O 34a_100000098542_200025704644 [0,1,0,1,0,0|1,0,0]=3 5639 B13R2.2130 [13CH3]Oc1ccc2c(c1)COC2=O 7a_100000044543_200025704644 [0,1,0,1,0,0|0,0,0]=2 5640 B13R2.2130 [13CH3]Sc1ccc2c(=O)[nH][nH]c2c1 62a_200025704644_100012353722 [0,1,0,1,0,0|1,1,0]=4 5641 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_100010210589_200025704644 [0,1,0,1,0,0|1,1,0]=4 5642 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_200025704644_100010210589 [0,1,0,1,0,0|1,1,0]=4 5643 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2=O 62a_100000737041_200025704644 [0,1,0,1,0,0|1,1,0]=4 5644 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2=O 62a_200025704644_100000737041 [0,1,0,1,0,0|1,1,0]=4 5645 B13R2.2130 [13CH3]Sc1ccc2c(c1)CNC2=O 62a_100000692135_200025704644 [0,1,0,1,0,0|1,1,0]=4 5646 B13R2.2130 [13CH3]Sc1ccc2c(c1)CNC2=O 62a_200025704644_100000692135 [0,1,0,1,0,0|1,1,0]=4 5647 B13R2.2130 [13CH3]Sc1ccc2c(c1)COC2=O 62a_100009816608_200025704644 [0,1,0,1,0,0|0,1,0]=3 5648 B13R2.2130 [13CH3]Sc1ccc2c(c1)OCC2=O 62a_200025704644_100000686717 [0,1,0,1,0,0|0,1,0]=3 5649 B13R2.2130 [13CH3]Sc1ccc2c(noc2c1)N 62a_100012356334_200025704644 [0,1,0,1,0,0|1,1,0]=4 5650 B13R2.2130 [13CH3]Sc1ccc2c(noc2c1)N 62a_200025704644_100012356334 [0,1,0,1,0,0|1,1,0]=4 5651 B13R2.654 COc1cc(c2[nH]ncc2c1)O 271570a_203496583355_100010292072 [0,1,0,1,0,0|2,0,0]=4 5652 B13R2.654 COc1cc(c2cc[nH]c2c1)O 271570a_203496583355_100010006585 [0,1,0,1,0,0|1,0,0]=3 5653 B13R2.654 COc1cc(c2ccnn2c1)O 271570a_203496583355_100010739841 [0,1,0,1,0,0|2,0,0]=4 5654 B13R2.654 COc1cc(c2cn[nH]c2c1)O 271570a_203496583355_100010188275 [0,1,0,1,0,0|1,0,0]=3 5655 B13R2.654 COc1cc(c2nc[nH]c2c1)O 271570a_203496583355_100102526192 [0,1,0,1,0,0|1,0,0]=3 5656 B13R2.654 COc1cc(c2ncsc2c1)C 34a_200009842467_200000210301 [0,1,0,1,0,0|1,1,0]=4 5657 B13R2.654 COc1cc(c2ncsc2c1)C 7a_200009842467_200000210301 [0,1,0,1,0,0|1,1,0]=4 5658 B13R2.654 COc1cc(c2occc2c1)Br 34a_200010248604_200000210301 [0,1,0,1,0,0|2,0,0]=4 5659 B13R2.654 COc1cc(c2occc2c1)Br 7a_200010248604_200000210301 [0,1,0,1,0,0|2,0,0]=4 5660 B13R2.654 CSc1cc(c2cn[nH]c2c1)O 62a_200000210301_100010185960 [0,1,0,1,0,0|1,1,0]=4 5661 B13R2.654 Cc1cc(cc2c1ncs2)O[13CH3] 34a_200009842467_200025704644 [0,1,0,1,0,0|1,1,0]=4 5662 B13R2.654 Cc1cc(cc2c1ncs2)O[13CH3] 7a_200009842467_200025704644 [0,1,0,1,0,0|1,1,0]=4 5663 B13R2.654 [13CH3]Oc1cc(c2occc2c1)Br 34a_200010248604_200025704644 [0,1,0,1,0,0|2,0,0]=4 5664 B13R2.654 [13CH3]Oc1cc(c2occc2c1)Br 7a_200010248604_200025704644 [0,1,0,1,0,0|2,0,0]=4 5665 B13R2.654 [13CH3]Sc1cc(c2cn[nH]c2c1)O 62a_200025704644_100010185960 [0,1,0,1,0,0|1,1,0]=4 5666 B13R2.2121 C=Cc1ccc2[nH]c(=O)oc2c1 271570a_100011290941_100000697996 [0,1,0,1,0,0|1,0,1]=4 5667 B13R2.2121 CNc1ccc2nc(oc2c1)C 34a_100000736495_200000210301 [0,1,0,1,0,0|2,0,0]=4 5668 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200000210301 [0,1,0,1,0,0|0,0,0]=2 5669 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 34a_100000073708_200000210301 [0,1,0,1,0,0|2,0,0]=4 5670 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 7a_100000073708_200000210301 [0,1,0,1,0,0|2,0,0]=4 5671 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 34a_100000035078_200000210301 [0,1,0,1,0,0|1,0,0]=3 5672 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 7a_100000035078_200000210301 [0,1,0,1,0,0|1,0,0]=3 5673 B13R2.2121 COc1ccc2cc([nH]c2c1)C 34a_100000058111_200000210301 [0,1,0,1,0,0|2,0,0]=4 5674 B13R2.2121 COc1ccc2cc(oc2c1)C 34a_100000095638_200000210301 [0,1,0,1,0,0|1,0,0]=3 5675 B13R2.2121 COc1ccc2cc(oc2c1)C 7a_100000095638_200000210301 [0,1,0,1,0,0|1,0,0]=3 5676 B13R2.2121 COc1ccc2nc(oc2c1)C 34a_100000116946_200000210301 [0,1,0,1,0,0|1,0,0]=3 5677 B13R2.2121 COc1ccc2nc(oc2c1)C 7a_100000116946_200000210301 [0,1,0,1,0,0|1,0,0]=3 5678 B13R2.2121 COc1ccc2nc(sc2c1)Br 7a_100010063415_200000210301 [0,1,0,1,0,0|1,1,0]=4 5679 B13R2.2121 COc1ccc2nc(sc2c1)C 34a_100000008955_200000210301 [0,1,0,1,0,0|1,1,0]=4 5680 B13R2.2121 COc1ccc2nc(sc2c1)C 7a_100000008955_200000210301 [0,1,0,1,0,0|1,1,0]=4 5681 B13R2.2121 COc1ccc2nc(sc2c1)N 7a_100000012012_200000210301 [0,1,0,1,0,0|1,1,0]=4 5682 B13R2.2121 COc1ccc2nc(sc2c1)O 271570a_203496583355_100010195960 [0,1,0,1,0,0|0,1,1]=4 5683 B13R2.2121 COc1ccc2oc(nc2c1)C 34a_100000102623_200000210301 [0,1,0,1,0,0|2,0,0]=4 5684 B13R2.2121 COc1ccc2oc(nc2c1)C 7a_100000102623_200000210301 [0,1,0,1,0,0|2,0,0]=4 5685 B13R2.2121 COc1ccc2oc(nc2c1)Cl 34a_100010673232_200000210301 [0,1,0,1,0,0|2,0,0]=4 5686 B13R2.2121 COc1ccc2oc(nc2c1)Cl 7a_100010673232_200000210301 [0,1,0,1,0,0|2,0,0]=4 5687 B13R2.2121 COc1ccc2sc(nc2c1)C 34a_100000031546_200000210301 [0,1,0,1,0,0|2,0,0]=4 5688 B13R2.2121 COc1ccc2sc(nc2c1)C 7a_100000031546_200000210301 [0,1,0,1,0,0|2,0,0]=4 5689 B13R2.2121 COc1ccc2sc(nc2c1)N 7a_100000066538_200000210301 [0,1,0,1,0,0|2,0,0]=4 5690 B13R2.2121 CSc1ccc2[nH]c(=O)[nH]c2c1 62a_200000210301_200011356815 [0,1,0,1,0,0|1,1,0]=4 5691 B13R2.2121 CSc1ccc2[nH]c(=O)oc2c1 62a_200000210301_100000697996 [0,1,0,1,0,0|0,1,0]=3 5692 B13R2.2121 CSc1ccc2c(c1)CC(=O)C2 62a_100010185598_200000210301 [0,1,0,1,0,0|1,1,0]=4 5693 B13R2.2121 CSc1ccc2c(c1)CC(=O)N2 62a_200000210301_100000754858 [0,1,0,1,0,0|1,1,0]=4 5694 B13R2.2121 CSc1ccc2c(c1)NC(=O)C2 62a_200000210301_100000760487 [0,1,0,1,0,0|1,1,0]=4 5695 B13R2.2121 CSc1ccc2nc(oc2c1)C 62a_200000210301_100010171164 [0,1,0,1,0,0|1,1,0]=4 5696 B13R2.2121 CSc1cnc2[nH]c(=O)oc2c1 62a_200000210301_100000721845 [0,1,0,1,0,0|1,1,0]=4 5697 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 34a_100000073708_200025704644 [0,1,0,1,0,0|2,0,0]=4 5698 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 7a_100000073708_200025704644 [0,1,0,1,0,0|2,0,0]=4 5699 B13R2.2121 Cc1cc2ccc(cc2[nH]1)O[13CH3] 34a_100000058111_200025704644 [0,1,0,1,0,0|2,0,0]=4 5700 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 34a_100000095638_200025704644 [0,1,0,1,0,0|1,0,0]=3 5701 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 7a_100000095638_200025704644 [0,1,0,1,0,0|1,0,0]=3 5702 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 34a_100000102623_200025704644 [0,1,0,1,0,0|2,0,0]=4 5703 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 7a_100000102623_200025704644 [0,1,0,1,0,0|2,0,0]=4 5704 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 34a_100000031546_200025704644 [0,1,0,1,0,0|2,0,0]=4 5705 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 7a_100000031546_200025704644 [0,1,0,1,0,0|2,0,0]=4 5706 B13R2.2121 Cc1nc2ccc(cc2o1)N[13CH3] 34a_100000736495_200025704644 [0,1,0,1,0,0|2,0,0]=4 5707 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 34a_100000116946_200025704644 [0,1,0,1,0,0|1,0,0]=3 5708 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 7a_100000116946_200025704644 [0,1,0,1,0,0|1,0,0]=3 5709 B13R2.2121 Cc1nc2ccc(cc2o1)S[13CH3] 62a_200025704644_100010171164 [0,1,0,1,0,0|1,1,0]=4 5710 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 34a_100000008955_200025704644 [0,1,0,1,0,0|1,1,0]=4 5711 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 7a_100000008955_200025704644 [0,1,0,1,0,0|1,1,0]=4 5712 B13R2.2121 [13CH3]Oc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200025704644 [0,1,0,1,0,0|0,0,0]=2 5713 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 34a_100000035078_200025704644 [0,1,0,1,0,0|1,0,0]=3 5714 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 7a_100000035078_200025704644 [0,1,0,1,0,0|1,0,0]=3 5715 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)Br 7a_100010063415_200025704644 [0,1,0,1,0,0|1,1,0]=4 5716 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)N 7a_100000012012_200025704644 [0,1,0,1,0,0|1,1,0]=4 5717 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 34a_100010673232_200025704644 [0,1,0,1,0,0|2,0,0]=4 5718 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 7a_100010673232_200025704644 [0,1,0,1,0,0|2,0,0]=4 5719 B13R2.2121 [13CH3]Oc1ccc2sc(nc2c1)N 7a_100000066538_200025704644 [0,1,0,1,0,0|2,0,0]=4 5720 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)[nH]c2c1 62a_200025704644_200011356815 [0,1,0,1,0,0|1,1,0]=4 5721 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)oc2c1 62a_200025704644_100000697996 [0,1,0,1,0,0|0,1,0]=3 5722 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)C2 62a_100010185598_200025704644 [0,1,0,1,0,0|1,1,0]=4 5723 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)N2 62a_200025704644_100000754858 [0,1,0,1,0,0|1,1,0]=4 5724 B13R2.2121 [13CH3]Sc1ccc2c(c1)NC(=O)C2 62a_200025704644_100000760487 [0,1,0,1,0,0|1,1,0]=4 5725 B13R2.2121 [13CH3]Sc1cnc2[nH]c(=O)oc2c1 62a_200025704644_100000721845 [0,1,0,1,0,0|1,1,0]=4 5726 B13R2.2170 COc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000719091 [0,1,0,1,0,0|1,0,1]=4 5727 B13R2.84 C=Cc1ccc2c(c1C)OCO2 271570a_100011290941_100010335860 [0,1,0,1,0,0|2,0,0]=4 5728 B13R2.84 C=Cc1ccc2c(c1F)OCO2 271570a_100011290941_100010223184 [0,1,0,1,0,0|2,0,0]=4 5729 B13R2.84 C=Cc1ccc2c(c1O)CCC2 271570a_100011290941_100010662108 [0,1,0,1,0,0|2,0,0]=4 5730 B13R2.449 CC=Cc1ccc2ccoc2c1 271570a_100016259895_100000759542 [0,1,0,1,0,0|2,0,0]=4 5731 B13R2.449 CC=Cc1ccc2cnoc2c1 271570a_100016259895_100009817722 [0,1,0,1,0,0|2,0,0]=4 5732 B13R2.449 CCNc1ccc2ccoc2c1 34a_100000102395_100000210202 [0,1,0,1,0,0|2,0,0]=4 5733 B13R2.449 CCNc1ccc2cnoc2c1 34a_100000084182_100000210202 [0,1,0,1,0,0|2,0,0]=4 5734 B13R2.449 CCOc1ccc2c(c1)OCO2 34a_100000210298_100000210202 [0,1,0,1,0,0|2,0,0]=4 5735 B13R2.449 CCOc1ccc2cc[nH]c2c1 34a_100000036713_100000210202 [0,1,0,1,0,0|2,0,0]=4 5736 B13R2.449 CCOc1ccc2ccoc2c1 34a_100000089557_100000210202 [0,1,0,1,0,0|1,0,0]=3 5737 B13R2.449 CCOc1ccc2ccoc2c1 7a_100000089557_100000210202 [0,1,0,1,0,0|1,0,0]=3 5738 B13R2.449 CCOc1ccc2cnoc2c1 34a_100000098417_100000210202 [0,1,0,1,0,0|1,0,0]=3 5739 B13R2.449 CCOc1ccc2cnoc2c1 7a_100000098417_100000210202 [0,1,0,1,0,0|1,0,0]=3 5740 B13R2.449 CCSc1ccc2ccoc2c1 62a_100000210202_100000759542 [0,1,0,1,0,0|1,1,0]=4 5741 B13R2.449 CCSc1ccc2cnoc2c1 62a_100000210202_100009817722 [0,1,0,1,0,0|1,1,0]=4 5742 B13R2.449 CNCc1ccc2cnoc2c1 26a_100102657272_100000098417 [0,1,0,1,0,0|2,0,0]=4 5743 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100000210967_200000210301 [0,1,0,1,0,0|2,0,0]=4 5744 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100138415774_100000189651 [0,1,0,1,0,0|2,0,0]=4 5745 B13R2.449 COCc1ccc2ccoc2c1 34a_200009859634_200000210301 [0,1,0,1,0,0|1,0,0]=3 5746 B13R2.449 COCc1ccc2ccoc2c1 7a_200009859634_200000210301 [0,1,0,1,0,0|1,0,0]=3 5747 B13R2.449 COCc1ccc2ccsc2c1 34a_100010262773_200000210301 [0,1,0,1,0,0|1,1,0]=4 5748 B13R2.449 COCc1ccc2ccsc2c1 7a_100010262773_200000210301 [0,1,0,1,0,0|1,1,0]=4 5749 B13R2.449 COCc1ccc2cn[nH]c2c1 34a_100138415774_100020605281 [0,1,0,1,0,0|2,0,0]=4 5750 B13R2.449 COCc1ccc2ncoc2c1 34a_100138415774_106359897996 [0,1,0,1,0,0|2,0,0]=4 5751 B13R2.449 FCNc1ccc2ccoc2c1 34a_100000102395_100015361967 [0,1,0,1,0,0|2,0,0]=4 5752 B13R2.449 FCNc1ccc2cnoc2c1 34a_100000084182_100015361967 [0,1,0,1,0,0|2,0,0]=4 5753 B13R2.449 FCOc1ccc2c(c1)OCO2 34a_100000210298_100015361967 [0,1,0,1,0,0|2,0,0]=4 5754 B13R2.449 FCOc1ccc2cc[nH]c2c1 34a_100000036713_100015361967 [0,1,0,1,0,0|2,0,0]=4 5755 B13R2.449 FCOc1ccc2ccoc2c1 34a_100000089557_100015361967 [0,1,0,1,0,0|1,0,0]=3 5756 B13R2.449 FCOc1ccc2ccoc2c1 7a_100000089557_100015361967 [0,1,0,1,0,0|1,0,0]=3 5757 B13R2.449 FCOc1ccc2cnoc2c1 34a_100000098417_100015361967 [0,1,0,1,0,0|1,0,0]=3 5758 B13R2.449 FCOc1ccc2cnoc2c1 7a_100000098417_100015361967 [0,1,0,1,0,0|1,0,0]=3 5759 B13R2.449 FCSc1ccc2ccoc2c1 62a_100015361967_100000759542 [0,1,0,1,0,0|1,1,0]=4 5760 B13R2.449 FCSc1ccc2cnoc2c1 62a_100015361967_100009817722 [0,1,0,1,0,0|1,1,0]=4 5761 B13R2.449 [13CH3]OCc1ccc2c(c1)OCO2 34a_100000210967_200025704644 [0,1,0,1,0,0|2,0,0]=4 5762 B13R2.449 [13CH3]OCc1ccc2ccoc2c1 34a_200009859634_200025704644 [0,1,0,1,0,0|1,0,0]=3 5763 B13R2.449 [13CH3]OCc1ccc2ccoc2c1 7a_200009859634_200025704644 [0,1,0,1,0,0|1,0,0]=3 5764 B13R2.449 [13CH3]OCc1ccc2ccsc2c1 34a_100010262773_200025704644 [0,1,0,1,0,0|1,1,0]=4 5765 B13R2.449 [13CH3]OCc1ccc2ccsc2c1 7a_100010262773_200025704644 [0,1,0,1,0,0|1,1,0]=4 5766 B13R2.599 C=Cc1cc2c(cc1N)OCO2 271570a_100011290941_100012557033 [0,1,0,1,0,0|2,0,0]=4 5767 B13R2.599 C=Cc1cc2c(cc1O)CCC2 271570a_100011290941_200010659162 [0,1,0,1,0,0|2,0,0]=4 5768 B13R2.599 C=Cc1cc2c(cc1O)OCO2 271570a_100011290941_100010290809 [0,1,0,1,0,0|1,0,0]=3 5769 B13R2.599 COc1cc2[nH]ccc2cc1O 271570a_203496583355_100010245498 [0,1,0,1,0,0|2,0,0]=4 5770 B13R2.599 COc1cc2c(cc1Br)OCO2 34a_100010290809_200000210301 [0,1,0,1,0,0|2,0,0]=4 5771 B13R2.599 COc1cc2c(cc1Br)OCO2 7a_100010290809_200000210301 [0,1,0,1,0,0|2,0,0]=4 5772 B13R2.599 COc1cc2c(cc1C)OCO2 34a_100000145572_200000210301 [0,1,0,1,0,0|2,0,0]=4 5773 B13R2.599 COc1cc2c(cc1C)OCO2 7a_100000145572_200000210301 [0,1,0,1,0,0|2,0,0]=4 5774 B13R2.599 COc1cc2n[nH]cc2cc1O 271570a_203496583355_100020876381 [0,1,0,1,0,0|2,0,0]=4 5775 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 34a_100000145572_200025704644 [0,1,0,1,0,0|2,0,0]=4 5776 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 7a_100000145572_200025704644 [0,1,0,1,0,0|2,0,0]=4 5777 B13R2.599 NCc1cc2c(cc1O)OCO2 271570a_203496583355_200011199097 [0,1,0,1,0,0|1,0,1]=4 5778 B13R2.599 O=Cc1cc2c(cc1O)OCO2 271570a_203496583355_100000186749 [0,1,0,1,0,0|0,0,0]=2 5779 B13R2.599 OCc1cc2c(cc1O)OCO2 271570a_203496583355_100000187691 [0,1,0,1,0,0|0,0,2]=4 5780 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 34a_100010290809_200025704644 [0,1,0,1,0,0|2,0,0]=4 5781 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 7a_100010290809_200025704644 [0,1,0,1,0,0|2,0,0]=4 5782 B9R1.21 CSc1c[nH]c(c1)C=O 62a_100000720742_200000210301 [1,0,0,0,1,0|1,1,0]=4 5783 B9R1.21 CSc1c[nH]c(c1)C=O 62a_200000210301_100000720742 [1,0,0,0,1,0|1,1,0]=4 5784 B9R1.21 CSc1cc(c[nH]1)C=O 62a_100009882863_200000210301 [1,0,0,0,1,0|1,1,0]=4 5785 B9R1.21 CSc1cc(c[nH]1)C=O 62a_200000210301_100009882863 [1,0,0,0,1,0|1,1,0]=4 5786 B9R1.21 CSc1cc(cs1)C=O 62a_100000737087_200000210301 [1,0,0,0,1,0|1,1,0]=4 5787 B9R1.21 CSc1cc(cs1)C=O 62a_200000210301_100000737087 [1,0,0,0,1,0|1,1,0]=4 5788 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [1,0,0,0,1,0|1,1,0]=4 5789 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [1,0,0,0,1,0|1,1,0]=4 5790 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [1,0,0,0,1,0|1,1,0]=4 5791 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [1,0,0,0,1,0|1,1,0]=4 5792 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [1,0,0,0,1,0|1,1,0]=4 5793 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [1,0,0,0,1,0|1,1,0]=4 5794 B9R1.21 CSc1csc(c1)C=O 62a_100000211722_200000210301 [1,0,0,0,1,0|1,1,0]=4 5795 B9R1.21 CSc1csc(c1)C=O 62a_200000210301_100000211722 [1,0,0,0,1,0|1,1,0]=4 5796 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_100000720742_200025704644 [1,0,0,0,1,0|1,1,0]=4 5797 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_200025704644_100000720742 [1,0,0,0,1,0|1,1,0]=4 5798 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_100009882863_200025704644 [1,0,0,0,1,0|1,1,0]=4 5799 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_200025704644_100009882863 [1,0,0,0,1,0|1,1,0]=4 5800 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_100000737087_200025704644 [1,0,0,0,1,0|1,1,0]=4 5801 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_200025704644_100000737087 [1,0,0,0,1,0|1,1,0]=4 5802 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [1,0,0,0,1,0|1,1,0]=4 5803 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [1,0,0,0,1,0|1,1,0]=4 5804 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [1,0,0,0,1,0|1,1,0]=4 5805 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [1,0,0,0,1,0|1,1,0]=4 5806 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [1,0,0,0,1,0|1,1,0]=4 5807 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [1,0,0,0,1,0|1,1,0]=4 5808 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_100000211722_200025704644 [1,0,0,0,1,0|1,1,0]=4 5809 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_200025704644_100000211722 [1,0,0,0,1,0|1,1,0]=4 5810 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [1,0,0,0,1,0|1,0,0]=3 5811 B9R1.22 Cc1cc(sc1C=O)O 271570a_203496583355_100010221198 [1,0,0,0,1,0|2,0,0]=4 5812 B11R1.9 C=Cc1cc(cc(c1)C=O)O 271570a_100011290941_100010176088 [0,0,0,0,1,1|1,0,1]=4 5813 B11R1.9 C=Cc1cc(cc(c1)OC)Br 271570a_100011290941_100010141301 [0,0,0,0,1,1|2,0,0]=4 5814 B11R1.9 C=Cc1cc(cc(c1)OC)C 271570a_100011290941_100010187550 [0,0,0,0,1,1|2,0,0]=4 5815 B11R1.9 C=Cc1cc(cc(c1)OC)Cl 271570a_100011290941_100010147680 [0,0,0,0,1,1|2,0,0]=4 5816 B11R1.9 C=Cc1cc(cc(c1)OC)F 271570a_100011290941_100011934182 [0,0,0,0,1,1|2,0,0]=4 5817 B11R1.9 C=Cc1cc(cc(c1)OC)N 271570a_100011290941_100000750983 [0,0,0,0,1,1|2,0,0]=4 5818 B11R1.9 C=Cc1cc(cc(c1)OC)O 271570a_100011290941_100010068927 [0,0,0,0,1,1|1,0,0]=3 5819 B11R1.9 C=Cc1cc(cc(n1)C)OC 271570a_100011290941_200009849800 [0,0,0,0,1,1|2,0,0]=4 5820 B11R1.9 C=Cc1cc(cc(n1)N)OC 271570a_100011290941_100010257270 [0,0,0,0,1,1|2,0,0]=4 5821 B11R1.9 CNc1cc(cc(c1)OC)O 34a_200000692186_200000210301 [0,0,0,0,1,1|2,0,0]=4 5822 B11R1.9 COc1cc(cc(c1)C#N)O 271570a_203496583355_100011934654 [0,0,0,0,1,1|1,0,1]=4 5823 B11R1.9 COc1cc(cc(c1)C=O)O 271570a_203496583355_100009816777 [0,0,0,0,1,1|0,0,0]=2 5824 B11R1.9 COc1cc(cc(c1)CO)O 271570a_203496583355_100009995317 [0,0,0,0,1,1|0,0,2]=4 5825 B11R1.9 COc1cc(cc(c1)N[13CH3])O 34a_200000692186_200025704644 [0,0,0,0,1,1|2,0,0]=4 5826 B11R1.9 COc1cc(cc(c1)OC)O 271570a_203496583355_100000685218 [0,0,0,0,1,1|2,0,0]=4 5827 B11R1.9 COc1cc(cc(c1)SC)O 271570a_203496583355_200010709149 [0,0,0,0,1,1|2,0,0]=4 5828 B11R1.9 COc1cc(cc(c1)SC)O 62a_200000210301_100010068927 [0,0,0,0,1,1|2,0,0]=4 5829 B11R1.9 COc1cc(cc(c1)S[13CH3])O 62a_200025704644_100010068927 [0,0,0,0,1,1|2,0,0]=4 5830 B11R1.9 COc1cc(nc(c1)C=O)O 271570a_203496583355_200009844316 [0,0,0,0,1,1|0,0,0]=2 5831 B11R1.9 COc1cc(nc(c1)OC)O 271570a_203496583355_100010008354 [0,0,0,0,1,1|2,0,0]=4 5832 B11R1.9 CSc1cc(cc(c1)C=O)Br 62a_100010185649_200000210301 [0,0,0,0,1,1|1,1,0]=4 5833 B11R1.9 CSc1cc(cc(c1)C=O)Br 62a_200000210301_100010185649 [0,0,0,0,1,1|1,1,0]=4 5834 B11R1.9 CSc1cc(cc(c1)C=O)C 62a_100000686105_200000210301 [0,0,0,0,1,1|1,1,0]=4 5835 B11R1.9 CSc1cc(cc(c1)C=O)C 62a_200000210301_100000686105 [0,0,0,0,1,1|1,1,0]=4 5836 B11R1.9 CSc1cc(cc(c1)C=O)F 62a_100011794424_200000210301 [0,0,0,0,1,1|1,1,0]=4 5837 B11R1.9 CSc1cc(cc(c1)C=O)F 62a_200000210301_100011794424 [0,0,0,0,1,1|1,1,0]=4 5838 B11R1.9 CSc1cc(cc(c1)C=O)O 62a_100010176088_200000210301 [0,0,0,0,1,1|0,1,0]=3 5839 B11R1.9 CSc1cc(cc(c1)C=O)O 62a_200000210301_100010176088 [0,0,0,0,1,1|0,1,0]=3 5840 B11R1.9 CSc1cc(nc(c1)C=O)C 62a_100009814795_200000210301 [0,0,0,0,1,1|1,1,0]=4 5841 B11R1.9 CSc1cc(nc(c1)C=O)C 62a_200000210301_100009814795 [0,0,0,0,1,1|1,1,0]=4 5842 B11R1.9 Cc1cc(cc(c1)S[13CH3])C=O 62a_100000686105_200025704644 [0,0,0,0,1,1|1,1,0]=4 5843 B11R1.9 Cc1cc(cc(c1)S[13CH3])C=O 62a_200025704644_100000686105 [0,0,0,0,1,1|1,1,0]=4 5844 B11R1.9 Cc1cc(cc(n1)C=O)S[13CH3] 62a_100009814795_200025704644 [0,0,0,0,1,1|1,1,0]=4 5845 B11R1.9 Cc1cc(cc(n1)C=O)S[13CH3] 62a_200025704644_100009814795 [0,0,0,0,1,1|1,1,0]=4 5846 B11R1.9 N#Cc1cc(cc(c1)C=O)O 271570a_203496583355_100009814813 [0,0,0,0,1,1|2,0,0]=4 5847 B11R1.9 O=Cc1cc(cc(c1)C=O)O 271570a_203496583355_100010197295 [0,0,0,0,1,1|2,0,0]=4 5848 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)Br 62a_100010185649_200025704644 [0,0,0,0,1,1|1,1,0]=4 5849 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)Br 62a_200025704644_100010185649 [0,0,0,0,1,1|1,1,0]=4 5850 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)F 62a_100011794424_200025704644 [0,0,0,0,1,1|1,1,0]=4 5851 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)F 62a_200025704644_100011794424 [0,0,0,0,1,1|1,1,0]=4 5852 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)O 62a_100010176088_200025704644 [0,0,0,0,1,1|0,1,0]=3 5853 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)O 62a_200025704644_100010176088 [0,0,0,0,1,1|0,1,0]=3 5854 B11R1.267 C=Cc1cccc(c1C)OC 271570a_100011290941_100010002647 [0,0,0,0,1,1|2,0,0]=4 5855 B11R1.267 C=Cc1cccc(c1Cl)OC 271570a_100011290941_100010147677 [0,0,0,0,1,1|2,0,0]=4 5856 B11R1.267 C=Cc1cccc(c1F)OC 271570a_100011290941_100010185846 [0,0,0,0,1,1|2,0,0]=4 5857 B11R1.267 C=Cc1cccc(c1N)OC 271570a_100011290941_100000708083 [0,0,0,0,1,1|2,0,0]=4 5858 B11R1.267 C=Cc1cccc(c1O)C=O 271570a_100011290941_100000737635 [0,0,0,0,1,1|1,0,1]=4 5859 B11R1.267 C=Cc1cccc(c1O)CC 271570a_100011290941_200010001580 [0,0,0,0,1,1|2,0,0]=4 5860 B11R1.267 C=Cc1cccc(c1O)OC 271570a_100011290941_100000686866 [0,0,0,0,1,1|1,0,0]=3 5861 B11R1.267 C=Cc1ccnc(c1C)OC 271570a_100011290941_100010068544 [0,0,0,0,1,1|2,0,0]=4 5862 B11R1.267 C=Cc1ccnc(c1F)OC 271570a_100011290941_100009885657 [0,0,0,0,1,1|2,0,0]=4 5863 B11R1.267 C=Cc1cncc(c1C)OC 271570a_100011290941_100010136163 [0,0,0,0,1,1|2,0,0]=4 5864 B11R1.267 C=Cc1nccc(c1C)OC 271570a_100011290941_100010067686 [0,0,0,0,1,1|2,0,0]=4 5865 B11R1.267 C=Cc1nccc(c1F)OC 271570a_100011290941_200010136267 [0,0,0,0,1,1|2,0,0]=4 5866 B11R1.267 C=Cc1nccc(c1N)OC 271570a_100011290941_100000100113 [0,0,0,0,1,1|2,0,0]=4 5867 B11R1.267 CNc1cccc(c1O)OC 34a_100000123586_200000210301 [0,0,0,0,1,1|2,0,0]=4 5868 B11R1.267 COc1cccc(c1O)CO 271570a_203496583355_100010236476 [0,0,0,0,1,1|0,0,2]=4 5869 B11R1.267 COc1cccc(c1O)N[13CH3] 34a_100000123586_200025704644 [0,0,0,0,1,1|2,0,0]=4 5870 B11R1.267 COc1cccc(c1O)OC 271570a_203496583355_100000050062 [0,0,0,0,1,1|2,0,0]=4 5871 B11R1.267 COc1cccc(c1O)SC 62a_200000210301_100000686866 [0,0,0,0,1,1|2,0,0]=4 5872 B11R1.267 COc1cccc(c1O)S[13CH3] 62a_200025704644_100000686866 [0,0,0,0,1,1|2,0,0]=4 5873 B11R1.267 COc1ccnc(c1O)OC 271570a_203496583355_100010114374 [0,0,0,0,1,1|2,0,0]=4 5874 B11R1.267 COc1cncc(c1O)OC 271570a_203496583355_200010191558 [0,0,0,0,1,1|2,0,0]=4 5875 B11R1.267 COc1nccc(c1O)C#N 271570a_203496583355_200000050020 [0,0,0,0,1,1|1,0,1]=4 5876 B11R1.267 CSc1cccc(c1C)C=O 62a_100012179384_200000210301 [0,0,0,0,1,1|1,1,0]=4 5877 B11R1.267 CSc1cccc(c1C)C=O 62a_200000210301_100012179384 [0,0,0,0,1,1|1,1,0]=4 5878 B11R1.267 CSc1cccc(c1F)C=O 62a_100000766533_200000210301 [0,0,0,0,1,1|1,1,0]=4 5879 B11R1.267 CSc1cccc(c1F)C=O 62a_200000210301_100000766533 [0,0,0,0,1,1|1,1,0]=4 5880 B11R1.267 CSc1cccc(c1N)C=O 62a_100010144990_200000210301 [0,0,0,0,1,1|1,1,0]=4 5881 B11R1.267 CSc1cccc(c1O)C=O 62a_200000210301_100010171435 [0,0,0,0,1,1|0,1,0]=3 5882 B11R1.267 CSc1ccnc(c1F)C=O 62a_100015713984_200000210301 [0,0,0,0,1,1|1,1,0]=4 5883 B11R1.267 CSc1ccnc(c1F)C=O 62a_200000210301_100015713984 [0,0,0,0,1,1|1,1,0]=4 5884 B11R1.267 CSc1cncc(c1C)C=O 62a_100010214934_200000210301 [0,0,0,0,1,1|1,1,0]=4 5885 B11R1.267 CSc1cncc(c1C)C=O 62a_200000210301_100010214934 [0,0,0,0,1,1|1,1,0]=4 5886 B11R1.267 CSc1cncc(c1N)C=O 62a_100010729279_200000210301 [0,0,0,0,1,1|1,1,0]=4 5887 B11R1.267 CSc1cncc(c1N)C=O 62a_200000210301_100010729279 [0,0,0,0,1,1|1,1,0]=4 5888 B11R1.267 CSc1cncc(c1O)C=O 62a_100010729654_200000210301 [0,0,0,0,1,1|0,1,0]=3 5889 B11R1.267 CSc1cncc(c1O)C=O 62a_200000210301_100010729654 [0,0,0,0,1,1|0,1,0]=3 5890 B11R1.267 CSc1nccc(c1C)C=O 62a_100000096011_200000210301 [0,0,0,0,1,1|1,1,0]=4 5891 B11R1.267 CSc1nccc(c1C)C=O 62a_200000210301_100000096011 [0,0,0,0,1,1|1,1,0]=4 5892 B11R1.267 CSc1nccc(c1F)C=O 62a_100000050688_200000210301 [0,0,0,0,1,1|1,1,0]=4 5893 B11R1.267 CSc1nccc(c1F)C=O 62a_200000210301_100000050688 [0,0,0,0,1,1|1,1,0]=4 5894 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_100012179384_200025704644 [0,0,0,0,1,1|1,1,0]=4 5895 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_200025704644_100012179384 [0,0,0,0,1,1|1,1,0]=4 5896 B11R1.267 Cc1c(ccnc1S[13CH3])C=O 62a_100000096011_200025704644 [0,0,0,0,1,1|1,1,0]=4 5897 B11R1.267 Cc1c(ccnc1S[13CH3])C=O 62a_200025704644_100000096011 [0,0,0,0,1,1|1,1,0]=4 5898 B11R1.267 Cc1c(cncc1S[13CH3])C=O 62a_100010214934_200025704644 [0,0,0,0,1,1|1,1,0]=4 5899 B11R1.267 Cc1c(cncc1S[13CH3])C=O 62a_200025704644_100010214934 [0,0,0,0,1,1|1,1,0]=4 5900 B11R1.267 N#Cc1cccc(c1O)C=O 271570a_203496583355_100010133059 [0,0,0,0,1,1|2,0,0]=4 5901 B11R1.267 [13CH3]Sc1cccc(c1F)C=O 62a_100000766533_200025704644 [0,0,0,0,1,1|1,1,0]=4 5902 B11R1.267 [13CH3]Sc1cccc(c1F)C=O 62a_200025704644_100000766533 [0,0,0,0,1,1|1,1,0]=4 5903 B11R1.267 [13CH3]Sc1cccc(c1N)C=O 62a_100010144990_200025704644 [0,0,0,0,1,1|1,1,0]=4 5904 B11R1.267 [13CH3]Sc1cccc(c1O)C=O 62a_200025704644_100010171435 [0,0,0,0,1,1|0,1,0]=3 5905 B11R1.267 [13CH3]Sc1ccnc(c1F)C=O 62a_100015713984_200025704644 [0,0,0,0,1,1|1,1,0]=4 5906 B11R1.267 [13CH3]Sc1ccnc(c1F)C=O 62a_200025704644_100015713984 [0,0,0,0,1,1|1,1,0]=4 5907 B11R1.267 [13CH3]Sc1cncc(c1N)C=O 62a_100010729279_200025704644 [0,0,0,0,1,1|1,1,0]=4 5908 B11R1.267 [13CH3]Sc1cncc(c1N)C=O 62a_200025704644_100010729279 [0,0,0,0,1,1|1,1,0]=4 5909 B11R1.267 [13CH3]Sc1cncc(c1O)C=O 62a_100010729654_200025704644 [0,0,0,0,1,1|0,1,0]=3 5910 B11R1.267 [13CH3]Sc1cncc(c1O)C=O 62a_200025704644_100010729654 [0,0,0,0,1,1|0,1,0]=3 5911 B11R1.267 [13CH3]Sc1nccc(c1F)C=O 62a_100000050688_200025704644 [0,0,0,0,1,1|1,1,0]=4 5912 B11R1.267 [13CH3]Sc1nccc(c1F)C=O 62a_200025704644_100000050688 [0,0,0,0,1,1|1,1,0]=4