0 B9R1.15 C#CC1=C(N=CC=C1)N E194525 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.15 C#CC1=NC=CN=C1N A178706 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.15 C1=CC(=C(N=C1)Br)C#N B182652 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.15 C1=CC(=C(N=C1)Br)C=O B107726 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 C1=CC(=C(N=C1)Br)CBr B123443 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.15 C1=CC(=C(N=C1)Br)CO B151848 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 C1=CC(=C(N=C1)C#N)Br B119398 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 C1=CC(=C(N=C1)C#N)Cl C122677 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 C1=CC(=C(N=C1)C#N)F F178583 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.15 C1=CC(=C(N=C1)C#N)O C139454 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.15 C1=CC(=C(N=C1)C=O)Br B482551 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 C1=CC(=C(N=C1)C=O)Cl C182663 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 C1=CC(=C(N=C1)C=O)F F121803 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.15 C1=CC(=C(N=C1)C=O)O H175252 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.15 C1=CC(=C(N=C1)CCl)Br B180455 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.15 C1=CC(=C(N=C1)CO)Br B184967 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.15 C1=CC(=C(N=C1)CO)F F176083 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.15 C1=CC(=C(N=C1)Cl)C#N C119938 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.15 C1=CC(=C(N=C1)Cl)C=O C107725 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.15 C1=CC(=C(N=C1)Cl)C=O C639107 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.15 C1=CC(=C(N=C1)Cl)CO C154080 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.15 C1=CC(=C(N=C1)F)C#N C136305 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.15 C1=CC(=C(N=C1)F)C=O F169927 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.15 C1=CC(=C(N=C1)N)C#N A123148 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.15 C1=CC(=C(N=C1)N)C=O A115308 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.15 C1=CC(=C(N=C1)N)CO A119400 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.15 C1=CC(=C(N=C1)NN)Cl C182994 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.15 C1=CN=C(C(=N1)C#N)N A192366 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.15 C1=CN=C(C(=N1)C=O)N A176139 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.15 CC1=C(C=CC=N1)C#N M174953 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.15 CC1=C(C=CC=N1)C=O M176904 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.15 CC1=C(C=CC=N1)CO W136400 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.15 CC1=C(N=CC=C1)C#N C108042 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.15 CC1=C(N=CC=C1)C=O M120655 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.15 CC1=C(N=CC=C1)CN A482619 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.15 CC1=CC=CC=C1C#C E117998 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.15 CC1=CC=CC=C1C#N T103037 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.15 CC1=CC=CC=C1C=C M100795 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.15 CC1=CC=CC=C1C=O O159892 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.15 CC1=CC=CC=C1CBr M139409 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.15 CC1=CC=CC=C1CCl M101671 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.15 CC1=CC=CC=C1CN M158667 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.15 CC1=CC=CC=C1CO M157901 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.15 CC1=CC=CC=C1CS M300495 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.15 CC1=CC=CC=C1NC N159021 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.15 CC1=CC=CC=C1NN T101278 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.15 CC1=CC=CC=C1OC M158113 [0,0,0,0,0,0|2,1,0]=3 47 B9R1.15 CC1=NC=CN=C1CO M174600 [0,0,0,0,0,0|2,0,0]=2 48 B9R1.15 CC1=NC=CN=C1OC M102551 [0,0,0,0,0,0|0,1,0]=1 49 B9R1.15 CC1=NC=CN=C1SC M102553 [0,0,0,0,0,0|0,0,0]=0 50 B9R1.15 CCC1=CC=CC=C1Br B138432 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.15 CCC1=CC=CC=C1C E140581 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.15 CCC1=CC=CC=C1I E189052 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.15 CCC1=CC=CC=C1N E106226 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.15 CCC1=CC=CC=C1O E156225 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.15 CCC1=CC=CC=C1S E101792 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.15 CCC1=NC=CN=C1C E105685 [0,0,0,0,0,0|1,0,0]=1 57 B9R1.15 CCC1=NC=NC=C1F E173725 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.15 CC[N+]1=CC=CC=C1C E303437 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.15 CNC1=C(C=CC=N1)N N589280 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.15 CNC1=CC=CC=C1Br B186004 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.15 CNC1=CC=CC=C1Cl C153908 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.15 CNC1=CC=CC=C1F F132815 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.15 CNC1=CC=CC=C1N I134172 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.15 CNC1=CC=CC=C1N M106013 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.15 CNC1=CC=CC=C1O M194184 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.15 COC1=C(C=CC=N1)Br B120788 [0,0,0,0,0,0|2,1,0]=3 67 B9R1.15 COC1=C(C=CC=N1)Cl C153781 [0,0,0,0,0,0|2,1,0]=3 68 B9R1.15 COC1=C(C=CC=N1)F F195529 [0,0,0,0,0,0|2,1,0]=3 69 B9R1.15 COC1=C(C=CC=N1)I l102600 [0,0,0,0,0,0|2,1,0]=3 70 B9R1.15 COC1=C(C=CC=N1)N M102591 [0,0,0,0,0,0|2,1,0]=3 71 B9R1.15 COC1=C(C=CC=N1)O M587025 [0,0,0,0,0,0|2,1,0]=3 72 B9R1.15 COC1=C(N=CC=C1)Br B120786 [0,0,0,0,0,0|2,1,0]=3 73 B9R1.15 COC1=C(N=CC=C1)Cl C135954 [0,0,0,0,0,0|2,1,0]=3 74 B9R1.15 COC1=C(N=CC=C1)F F191342 [0,0,0,0,0,0|2,1,0]=3 75 B9R1.15 COC1=C(N=CC=C1)N A165482 [0,0,0,0,0,0|2,1,0]=3 76 B9R1.15 COC1=CC=CC=C1Br B109257 [0,0,0,0,0,0|3,1,0]=4 77 B9R1.15 COC1=CC=CC=C1Cl C110652 [0,0,0,0,0,0|3,1,0]=4 78 B9R1.15 COC1=CC=CC=C1F F120586 [0,0,0,0,0,0|3,1,0]=4 79 B9R1.15 COC1=CC=CC=C1I I101929 [0,0,0,0,0,0|3,1,0]=4 80 B9R1.15 COC1=CC=CC=C1N A103995 [0,0,0,0,0,0|3,1,0]=4 81 B9R1.15 COC1=CC=CC=C1N A103997 [0,0,0,0,0,0|3,1,0]=4 82 B9R1.15 COC1=CC=CC=C1N A141230 [0,0,0,0,0,0|3,1,0]=4 83 B9R1.15 COC1=CC=CC=C1N O160024 [0,0,0,0,0,0|3,1,0]=4 84 B9R1.15 COC1=CC=CC=C1O G112735 [0,0,0,0,0,0|3,1,0]=4 85 B9R1.15 COC1=CC=CC=C1O G426764 [0,0,0,0,0,0|3,1,0]=4 86 B9R1.15 COC1=CC=CC=C1S M101778 [0,0,0,0,0,0|3,1,0]=4 87 B9R1.15 COC1=CC=CNC1=O M168513 [0,0,0,0,0,0|2,1,1]=4 88 B9R1.15 COC1=NC=CN=C1Cl C193237 [0,0,0,0,0,0|1,1,0]=2 89 B9R1.15 COC1=NC=CN=C1N M589216 [0,0,0,0,0,0|1,1,0]=2 90 B9R1.15 CSC1=CC=CC=C1Br B101843 [0,0,0,0,0,0|3,0,0]=3 91 B9R1.15 CSC1=CC=CC=C1Cl C101838 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.15 CSC1=CC=CC=C1F F101836 [0,0,0,0,0,0|3,0,0]=3 93 B9R1.15 CSC1=CC=CC=C1N M158418 [0,0,0,0,0,0|3,0,0]=3 94 B9R1.15 CSC1=CC=CC=C1O M101847 [0,0,0,0,0,0|3,0,0]=3 95 B8R1.2 C#CC1=CC=CC=N1 E106166 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.2 C#CC1=CN=CC=C1 E101379 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.2 C1=CC(=CN=C1)C#N N104919 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.2 C1=CC(=CN=C1)C=O P106877 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.2 C1=CC(=CN=C1)CBr B137612 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.2 C1=CC(=CN=C1)CCl P135883 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.2 C1=CC(=CN=C1)CN P160053 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.2 C1=CC(=CN=C1)CO P106580 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.2 C1=CC=NC(=C1)C#N P106583 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.2 C1=CC=NC(=C1)C=O P105912 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.2 C1=CC=NC(=C1)CBr B169474 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.2 C1=CC=NC(=C1)CCl C117226 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.2 C1=CC=NC(=C1)CN P107146 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.2 C1=CC=NC(=C1)CO P106578 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.2 C1=CC=NC(=C1)NN H133458 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.2 C1=CN=C(C=N1)C#N P121629 [1,0,0,0,0,0|2,0,0]=3 111 B8R1.2 C1=CN=C(C=N1)C=O P176847 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.2 C1=CN=C(C=N1)CN P175485 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.2 C1=CN=C(C=N1)NN H176751 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.2 C=CC1=CC=CC=N1 V106227 [1,0,0,0,0,0|2,0,1]=4 115 B8R1.2 C=CC1=CN=CC=C1 V138030 [1,0,0,0,0,0|2,0,1]=4 116 B8R1.2 CCC1=CC=CC=C1 E108144 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.2 CCC1=CC=CC=C1 E108145 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.2 CCC1=CC=CC=C1 E108146 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.2 CCC1=CC=CC=C1 E108148 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.2 CCC1=CC=CC=C1 E108149 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.2 CCC1=CC=CC=C1 E117364 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.2 CCC1=CC=CC=N1 E156565 [1,0,0,0,0,0|2,0,0]=3 123 B8R1.2 CCC1=CN=CC=C1 E156048 [1,0,0,0,0,0|2,0,0]=3 124 B8R1.2 CCC1=NC=CN=C1 E156371 [1,0,0,0,0,0|1,0,0]=2 125 B8R1.2 CNC1=CC=CC=C1 M109539 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.2 CNC1=CC=CC=C1 M109540 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.2 CNC1=CC=CC=N1 M158828 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.2 CNC1=CN=CC=C1 M158833 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.2 CNC1=NC=CC=N1 N339574 [1,0,0,0,0,0|3,0,0]=4 130 B8R1.2 COC1=CC=CC=C1 A103680 [1,0,0,0,0,0|2,1,0]=4 131 B8R1.2 COC1=CC=CC=C1 A103683 [1,0,0,0,0,0|2,1,0]=4 132 B8R1.2 COC1=CC=CC=C1 A103684 [1,0,0,0,0,0|2,1,0]=4 133 B8R1.2 COC1=CC=CC=C1 A105952 [1,0,0,0,0,0|2,1,0]=4 134 B8R1.2 COC1=CC=CC=C1 A472026 [1,0,0,0,0,0|2,1,0]=4 135 B8R1.2 COC1=CC=CC=N1 M120557 [1,0,0,0,0,0|1,1,0]=3 136 B8R1.2 COC1=CN=CC=C1 M134006 [1,0,0,0,0,0|1,1,0]=3 137 B8R1.2 COC1=CN=CN=C1 M303416 [1,0,0,0,0,0|2,1,0]=4 138 B8R1.2 COC1=NC=CN=C1 M136222 [1,0,0,0,0,0|0,1,0]=2 139 B8R1.2 COC1=NC=NC=C1 M158443 [1,0,0,0,0,0|2,1,0]=4 140 B8R1.2 COC1=NN=CC=C1 M157842 [1,0,0,0,0,0|2,1,0]=4 141 B8R1.2 CSC1=CC=CC=C1 T107511 [1,0,0,0,0,0|2,0,0]=3 142 B8R1.2 CSC1=CC=CC=N1 M132299 [1,0,0,0,0,0|1,0,0]=2 143 B8R1.2 CSC1=NC=CC=N1 M186764 [1,0,0,0,0,0|2,0,0]=3 144 B8R1.2 CSC1=NC=CN=C1 M132836 [1,0,0,0,0,0|0,0,0]=1 145 B8R1.2 CSC1=NC=CN=N1 M169273 [1,0,0,0,0,0|1,0,0]=2 146 B8R1.2 C[Si]C1=CC=CC=C1 M338232 [1,0,0,0,0,0|3,0,0]=4 147 B8R1.5 C1=CC(=C(N=C1)Br)Br D138175 [1,0,0,0,0,0|3,0,0]=4 148 B8R1.5 C1=CC(=C(N=C1)Br)Cl B139493 [1,0,0,0,0,0|3,0,0]=4 149 B8R1.5 C1=CC(=C(N=C1)Br)F B119634 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.5 C1=CC(=C(N=C1)Br)I B120728 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.5 C1=CC(=C(N=C1)Br)N A151581 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.5 C1=CC(=C(N=C1)Br)O B110249 [1,0,0,0,0,0|2,1,0]=4 153 B8R1.5 C1=CC(=C(N=C1)Cl)Br B102592 [1,0,0,0,0,0|3,0,0]=4 154 B8R1.5 C1=CC(=C(N=C1)Cl)Cl D119974 [1,0,0,0,0,0|3,0,0]=4 155 B8R1.5 C1=CC(=C(N=C1)Cl)F C102597 [1,0,0,0,0,0|3,0,0]=4 156 B8R1.5 C1=CC(=C(N=C1)Cl)I C120717 [1,0,0,0,0,0|3,0,0]=4 157 B8R1.5 C1=CC(=C(N=C1)Cl)N A151576 [1,0,0,0,0,0|3,0,0]=4 158 B8R1.5 C1=CC(=C(N=C1)Cl)O C110320 [1,0,0,0,0,0|2,1,0]=4 159 B8R1.5 C1=CC(=C(N=C1)F)Br B120726 [1,0,0,0,0,0|3,0,0]=4 160 B8R1.5 C1=CC(=C(N=C1)F)Cl C119644 [1,0,0,0,0,0|3,0,0]=4 161 B8R1.5 C1=CC(=C(N=C1)F)F D124348 [1,0,0,0,0,0|3,0,0]=4 162 B8R1.5 C1=CC(=C(N=C1)F)I F120738 [1,0,0,0,0,0|3,0,0]=4 163 B8R1.5 C1=CC(=C(N=C1)F)N A119619 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.5 C1=CC(=C(N=C1)F)O F102619 [1,0,0,0,0,0|2,1,0]=4 165 B8R1.5 C1=CC(=C(N=C1)I)F F131983 [1,0,0,0,0,0|3,0,0]=4 166 B8R1.5 C1=CC(=C(N=C1)I)O I119977 [1,0,0,0,0,0|2,1,0]=4 167 B8R1.5 C1=CC(=C(N=C1)N)Br A167068 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.5 C1=CC(=C(N=C1)N)Cl A133692 [1,0,0,0,0,0|3,0,0]=4 169 B8R1.5 C1=CC(=C(N=C1)N)F W133179 [1,0,0,0,0,0|3,0,0]=4 170 B8R1.5 C1=CC(=C(N=C1)N)I A123901 [1,0,0,0,0,0|3,0,0]=4 171 B8R1.5 C1=CC(=C(N=C1)N)N D103174 [1,0,0,0,0,0|3,0,0]=4 172 B8R1.5 C1=CC(=C(N=C1)N)O A101241 [1,0,0,0,0,0|2,1,0]=4 173 B8R1.5 C1=CC(=C(N=C1)N)O A493500 [1,0,0,0,0,0|2,1,0]=4 174 B8R1.5 C1=CC=C(C(=C1)F)S F101759 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.5 C1=CC=C(C(=C1)N)S A107172 [1,0,0,0,0,0|3,0,0]=4 176 B8R1.5 C1=CC=C(C(=C1)N)S A477048 [1,0,0,0,0,0|3,0,0]=4 177 B8R1.5 C1=CC=C(C(=C1)O)S M101784 [1,0,0,0,0,0|3,0,0]=4 178 B8R1.5 C1=CC=C(C(=C1)S)Br B101772 [1,0,0,0,0,0|3,0,0]=4 179 B8R1.5 C1=CC=C(C(=C1)S)Cl C101764 [1,0,0,0,0,0|3,0,0]=4 180 B8R1.5 C1=CC=C(C(=C1)S)Cl C639109 [1,0,0,0,0,0|3,0,0]=4 181 B8R1.5 C1=CC=C(C(=C1)S)S B152759 [1,0,0,0,0,0|3,0,0]=4 182 B8R1.5 C1=CN=C(C(=N1)Cl)Cl D123437 [1,0,0,0,0,0|2,0,0]=3 183 B8R1.5 C1=CN=C(C(=N1)N)Cl A121861 [1,0,0,0,0,0|2,0,0]=3 184 B8R1.5 C1=CN=C(C(=N1)N)Cl A469516 [1,0,0,0,0,0|2,0,0]=3 185 B8R1.5 C1=CN=C(C(=N1)N)N D190531 [1,0,0,0,0,0|2,0,0]=3 186 B8R1.5 C1=CN=C(C(=O)N1)N A184511 [1,0,0,0,0,0|1,1,1]=4 187 B8R1.5 CC1=C(C=CC=N1)Br B120553 [1,0,0,0,0,0|2,0,0]=3 188 B8R1.5 CC1=C(C=CC=N1)F F191212 [1,0,0,0,0,0|2,0,0]=3 189 B8R1.5 CC1=C(C=CC=N1)N A103064 [1,0,0,0,0,0|2,0,0]=3 190 B8R1.5 CC1=C(C=CC=N1)O H122390 [1,0,0,0,0,0|1,1,0]=3 191 B8R1.5 CC1=C(N=CC=C1)Br B110258 [1,0,0,0,0,0|2,0,0]=3 192 B8R1.5 CC1=C(N=CC=C1)C L109204 [1,0,0,0,0,0|1,0,0]=2 193 B8R1.5 CC1=C(N=CC=C1)Cl C124347 [1,0,0,0,0,0|2,0,0]=3 194 B8R1.5 CC1=C(N=CC=C1)F F119658 [1,0,0,0,0,0|2,0,0]=3 195 B8R1.5 CC1=C(N=CC=C1)N A107212 [1,0,0,0,0,0|2,0,0]=3 196 B8R1.5 CC1=C(N=CC=C1)N A140869 [1,0,0,0,0,0|2,0,0]=3 197 B8R1.5 CC1=CC=CC=C1Br B108526 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.5 CC1=CC=CC=C1C O102277 [1,0,0,0,0,0|2,0,0]=3 199 B8R1.5 CC1=CC=CC=C1C X108969 [1,0,0,0,0,0|2,0,0]=3 200 B8R1.5 CC1=CC=CC=C1C X108971 [1,0,0,0,0,0|2,0,0]=3 201 B8R1.5 CC1=CC=CC=C1C X108972 [1,0,0,0,0,0|2,0,0]=3 202 B8R1.5 CC1=CC=CC=C1C X117370 [1,0,0,0,0,0|2,0,0]=3 203 B8R1.5 CC1=CC=CC=C1C X117372 [1,0,0,0,0,0|2,0,0]=3 204 B8R1.5 CC1=CC=CC=C1C X119713 [1,0,0,0,0,0|2,0,0]=3 205 B8R1.5 CC1=CC=CC=C1C X128150 [1,0,0,0,0,0|2,0,0]=3 206 B8R1.5 CC1=CC=CC=C1Cl C108163 [1,0,0,0,0,0|3,0,0]=4 207 B8R1.5 CC1=CC=CC=C1Cl C108164 [1,0,0,0,0,0|3,0,0]=4 208 B8R1.5 CC1=CC=CC=C1Cl C108165 [1,0,0,0,0,0|3,0,0]=4 209 B8R1.5 CC1=CC=CC=C1Cl C108168 [1,0,0,0,0,0|3,0,0]=4 210 B8R1.5 CC1=CC=CC=C1F F123653 [1,0,0,0,0,0|3,0,0]=4 211 B8R1.5 CC1=CC=CC=C1I I103584 [1,0,0,0,0,0|3,0,0]=4 212 B8R1.5 CC1=CC=CC=C1N O333989 [1,0,0,0,0,0|3,0,0]=4 213 B8R1.5 CC1=CC=CC=C1N T103926 [1,0,0,0,0,0|3,0,0]=4 214 B8R1.5 CC1=CC=CC=C1N T103927 [1,0,0,0,0,0|3,0,0]=4 215 B8R1.5 CC1=CC=CC=C1N T103928 [1,0,0,0,0,0|3,0,0]=4 216 B8R1.5 CC1=CC=CC=C1O C108231 [1,0,0,0,0,0|2,1,0]=4 217 B8R1.5 CC1=CC=CC=C1O C108233 [1,0,0,0,0,0|2,1,0]=4 218 B8R1.5 CC1=CC=CC=C1O C108234 [1,0,0,0,0,0|2,1,0]=4 219 B8R1.5 CC1=CC=CC=C1O C108235 [1,0,0,0,0,0|2,1,0]=4 220 B8R1.5 CC1=CC=CC=C1O C108236 [1,0,0,0,0,0|2,1,0]=4 221 B8R1.5 CC1=CC=CC=C1S M101295 [1,0,0,0,0,0|2,0,0]=3 222 B8R1.5 CC1=CC=CNC1=O H124768 [1,0,0,0,0,0|1,1,1]=4 223 B8R1.5 CC1=CC=CNC1=S M404770 [1,0,0,0,0,0|1,0,2]=4 224 B8R1.5 CC1=NC=CN=C1C D106292 [1,0,0,0,0,0|0,0,0]=1 225 B8R1.5 CC1=NC=CN=C1Cl C479894 [1,0,0,0,0,0|1,0,0]=2 226 B8R1.5 CC1=NC=CNC1=O H132311 [1,0,0,0,0,0|0,1,1]=3 227 B8R1.5 CC1=NC=NC=C1Br B181501 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.2 CC1=C(C(=CC=C1)OC)C D123572 [0,1,0,0,0,0|2,1,0]=4 229 B10R1.2 CC1=C(C(=NC=C1)OC)Br B186221 [0,1,0,0,0,0|2,1,0]=4 230 B10R1.2 CC1=C(C=CC=C1Br)OC B183641 [0,1,0,0,0,0|2,1,0]=4 231 B10R1.2 CC1=C(C=CC=C1Cl)OC C153448 [0,1,0,0,0,0|2,1,0]=4 232 B10R1.2 CC1=C(C=CC=C1OC)N M122543 [0,1,0,0,0,0|2,1,0]=4 233 B10R1.2 CCC1=CC=CC(=C1C)C E156303 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.2 COC1=NC=CC(=C1N)N B301204 [0,1,0,0,0,0|2,1,0]=4 235 B10R1.4 CC1=CC=CC=C1CCBr B587606 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.4 CC1=CC=CC=C1CCO O159910 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.4 CC1=CC=CC=C1CNC B301431 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.4 CCCC1=CC=CC=C1C P160377 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.4 CCNC1=CC=CC=C1C N158979 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.4 CCOC1=C(C=CC=N1)Br B139026 [0,1,0,0,0,0|2,1,0]=4 241 B10R1.4 CCOC1=C(C=CC=N1)Cl C154075 [0,1,0,0,0,0|2,1,0]=4 242 B10R1.4 CCOC1=C(C=CC=N1)I E134848 [0,1,0,0,0,0|2,1,0]=4 243 B10R1.4 CCOC1=NC=CN=C1C E156373 [0,1,0,0,0,0|0,1,0]=2 244 B10R1.20 C1=CN=C(C(=N1)C#N)C#N D154791 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.20 CCC1=CC=CC=C1CC D108906 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.20 CCC1=CC=CC=C1CC D130062 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.20 CCC1=CC=CC=C1CC D299535 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.20 CCC1=CC=CC=C1CO E337904 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.20 CCC1=CC=CC=C1OC E156216 [0,1,0,0,0,0|2,1,0]=4 250 B10R1.20 CCC1=NC=CN=C1CC D154790 [0,1,0,0,0,0|1,0,0]=2 251 B10R1.20 CCC1=NC=CN=C1OC E474282 [0,1,0,0,0,0|0,1,0]=2 252 B10R1.20 CCC1=NC=CN=C1SC E156375 [0,1,0,0,0,0|0,0,0]=1 253 B10R1.20 CNC1=C(C=CC=N1)CO M183687 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.20 CNC1=CC=CC=C1NC N469082 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.20 CNC1=CC=CC=C1OC M468551 [0,1,0,0,0,0|2,1,0]=4 256 B10R1.20 COC1=C(C=CC=N1)C#N M186266 [0,1,0,0,0,0|1,1,1]=4 257 B10R1.20 COC1=C(C=CC=N1)CO M172075 [0,1,0,0,0,0|1,1,0]=3 258 B10R1.20 COC1=C(N=CC=C1)OC D133874 [0,1,0,0,0,0|1,1,0]=3 259 B10R1.20 COC1=CC=CC=C1CN M113482 [0,1,0,0,0,0|2,1,0]=4 260 B10R1.20 COC1=CC=CC=C1CO M104885 [0,1,0,0,0,0|2,1,0]=4 261 B10R1.20 COC1=CC=CC=C1OC V108546 [0,1,0,0,0,0|2,1,0]=4 262 B10R1.20 COC1=CC=CC=C1OC V108547 [0,1,0,0,0,0|2,1,0]=4 263 B10R1.20 COC1=CC=CC=C1OC V108548 [0,1,0,0,0,0|2,1,0]=4 264 B10R1.20 COC1=CC=CC=C1SC M101845 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.20 CSC1=CC=CC=C1C=O M157862 [0,1,0,0,0,0|2,0,1]=4 266 B10R1.25 C1=C(N=C(C(=N1)C#N)Cl)Cl D176090 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.25 CC1=C(C=CC(=C1)Br)OC B122705 [0,1,0,0,0,0|2,1,0]=4 268 B10R1.25 CC1=C(C=CC(=C1)Cl)OC C153447 [0,1,0,0,0,0|2,1,0]=4 269 B10R1.25 CC1=C(C=CC(=C1)N)OC M140237 [0,1,0,0,0,0|2,1,0]=4 270 B10R1.25 CC1=C(C=CC(=C1)O)SC M158095 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.25 CC1=C(C=CC(=N1)Cl)C=O C187655 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.25 CC1=C(C=CC(=N1)N)C#N A168088 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.25 CC1=CC(=C(N=C1)C#N)C D469646 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.25 CC1=CC(=C(N=C1)CCl)C C590035 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.25 CC1=CC(=C(N=C1)OC)Br B186222 [0,1,0,0,0,0|2,1,0]=4 276 B10R1.25 CC1=CC(=CN=C1C#N)Br B181763 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.25 CC1=CC(=CN=C1C=O)Br B355007 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.25 CC1=CC(=CN=C1OC)N W136054 [0,1,0,0,0,0|1,1,0]=3 279 B10R1.25 CCC1=C(C=C(C=C1)C)C E156304 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.25 CCC1=NC=C(N=C1C)C E103761 [0,1,0,0,0,0|1,0,0]=2 281 B10R1.25 CCC1=NC=C(N=C1C)C E133774 [0,1,0,0,0,0|1,0,0]=2 282 B10R1.25 COC1=C(C=C(C=N1)Br)Br W131876 [0,1,0,0,0,0|2,1,0]=4 283 B10R1.25 COC1=C(C=C(C=N1)Br)Cl B136789 [0,1,0,0,0,0|2,1,0]=4 284 B10R1.25 COC1=C(C=C(C=N1)Br)F B180531 [0,1,0,0,0,0|2,1,0]=4 285 B10R1.25 COC1=C(C=C(C=N1)Br)I B479205 [0,1,0,0,0,0|2,1,0]=4 286 B10R1.25 COC1=C(C=C(C=N1)Br)N B590515 [0,1,0,0,0,0|2,1,0]=4 287 B10R1.25 COC1=C(C=C(C=N1)Cl)Br B165529 [0,1,0,0,0,0|2,1,0]=4 288 B10R1.25 COC1=C(C=C(C=N1)F)Br B187647 [0,1,0,0,0,0|2,1,0]=4 289 B10R1.25 COC1=C(C=C(C=N1)F)F D133212 [0,1,0,0,0,0|2,1,0]=4 290 B10R1.25 COC1=C(C=C(C=N1)N)Br A185025 [0,1,0,0,0,0|2,1,0]=4 291 B10R1.25 COC1=C(C=C(C=N1)N)Cl C191174 [0,1,0,0,0,0|2,1,0]=4 292 B10R1.25 COC1=C(N=C(C=C1)Br)Br D590202 [0,1,0,0,0,0|2,1,0]=4 293 B10R1.25 COC1=C(N=C(C=C1)I)Br B169549 [0,1,0,0,0,0|2,1,0]=4 294 B10R1.25 COC1=C(N=C(C=C1)I)I D170361 [0,1,0,0,0,0|2,1,0]=4 295 B10R1.30 C#CC1=NC(=CN=C1N)Br A180121 [0,1,0,0,0,0|2,0,1]=4 296 B10R1.30 C1=C(N=C(C(=N1)Cl)C#N)Cl D192967 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.30 C1=C(N=C(C(=N1)N)C#N)Br A182065 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.30 C1=C(N=C(C(=N1)N)C=O)Br A302544 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.30 CC1=C(C=C(C=C1)Br)OC B136005 [0,1,0,0,0,0|2,1,0]=4 300 B10R1.30 CC1=C(C=C(C=C1)F)OC F305032 [0,1,0,0,0,0|2,1,0]=4 301 B10R1.30 CC1=C(C=C(C=C1)N)OC M124256 [0,1,0,0,0,0|2,1,0]=4 302 B10R1.30 CC1=CC(=C(C=C1)C)OC D155516 [0,1,0,0,0,0|2,1,0]=4 303 B10R1.30 CC1=CC(=C(N=C1)Cl)OC C166455 [0,1,0,0,0,0|2,1,0]=4 304 B10R1.30 CC1=CN=C(C(=N1)OC)C M302692 [0,1,0,0,0,0|0,1,0]=2 305 B10R1.30 CC1=NC(=C(C=C1)Br)OC B589982 [0,1,0,0,0,0|2,1,0]=4 306 B10R1.30 CCC1=C(C=CC(=C1)C)C E404389 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.30 CCC1=C(C=CC(=N1)C)O E134371 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.30 CCC1=C(C=CC(=N1)C)O E404399 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.30 COC1=C(C=CC(=N1)Br)N A187873 [0,1,0,0,0,0|2,1,0]=4 310 B10R1.30 COC1=C(N=CC(=C1)Br)Cl B138607 [0,1,0,0,0,0|2,1,0]=4 311 B10R1.30 COC1=C(N=CC(=C1)Br)I B188523 [0,1,0,0,0,0|2,1,0]=4 312 B10R1.30 COC1=C(N=CC(=C1)Br)N B184471 [0,1,0,0,0,0|2,1,0]=4 313 B10R1.30 COC1=NC(=CN=C1I)Br B193527 [0,1,0,0,0,0|1,1,0]=3 314 B10R1.30 COC1=NC(=CN=C1N)Br A121884 [0,1,0,0,0,0|1,1,0]=3 315 B10R1.30 CSC1=NC(=NC=C1F)Cl C177881 [0,1,0,0,0,0|3,0,0]=4 316 B10R1.61 B(C1=C(N=CC=C1)C)(O)O M590630 [0,1,0,0,0,0|3,0,0]=4 317 B10R1.61 C1=CN=C(C(=N1)C(=O)N)Cl C192033 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.61 C1=CN=C(C(=N1)C(=O)O)Cl C175973 [0,1,0,0,0,0|3,0,0]=4 319 B10R1.61 C1=CN=C(C(=N1)C(=O)O)N A107498 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.61 CC(=O)C1=C(C=CC=N1)Cl C173299 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.61 CC(=O)C1=C(N=CC=C1)Br A128913 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl A138997 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.61 CC1=C(C=CC=N1)C(=O)O M157827 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.61 CC1=C(C=CC=N1)[N+](=O)[O-] M158831 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.61 CC1=C(N=CC=C1)C(=O)C E491191 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.61 CC1=C(N=CC=C1)C(=O)O M140254 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.61 CC1=CC=CC=C1C(=C)C I157557 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.61 CC1=CC=CC=C1C(=O)C M106449 [0,1,0,0,0,0|3,0,0]=4 329 B10R1.61 CC1=CC=CC=C1C(C)C O159927 [0,1,0,0,0,0|3,0,0]=4 330 B10R1.61 CC1=CC=CC=C1C(C)C O301082 [0,1,0,0,0,0|3,0,0]=4 331 B10R1.61 CC1=CC=CC=C1N(C)C D140174 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.61 CC1=NC=CN=C1C(=O)C A113965 [0,1,0,0,0,0|1,0,0]=2 333 B10R1.245 CC1=C(C(=CC=C1)C)OC D155523 [0,1,0,0,0,0|2,1,0]=4 334 B10R1.245 CC1=C(C(=O)C=CN1)OC M137028 [0,1,0,0,0,0|1,1,1]=4 335 B10R1.245 CC1=NC=CC(=C1OC)Cl C171910 [0,1,0,0,0,0|1,1,0]=3 336 B10R2.7 C1=CNC2=NC=CN=C21 H176557 [0,0,0,1,0,0|1,0,2]=4 337 B10R2.7 C1CC2=C(C1)N=CC=C2 C101917 [0,0,0,1,0,0|2,0,0]=3 338 B10R2.7 C1CC2=C(C1)N=CC=C2 C616548 [0,0,0,1,0,0|2,0,0]=3 339 B10R2.7 C1CC2=CC=CC=C2C1 I105445 [0,0,0,1,0,0|3,0,0]=4 340 B10R2.7 C1CNC2=C1C=CC=N2 D122895 [0,0,0,1,0,0|2,0,0]=3 341 B10R2.7 C1CNC2=CC=CC=C21 I103557 [0,0,0,1,0,0|3,0,0]=4 342 B10R2.7 C1COC2=CC=CC=C21 D170588 [0,0,0,1,0,0|2,1,0]=4 343 B8R1.11 CC1=C(C=CO1)SC M102940 [0,0,0,0,1,0|1,0,0]=2 344 B8R1.11 CC1=C(N=CN1)C=O W136827 [0,0,0,0,1,0|2,0,1]=4 345 B8R1.11 CC1=C(N=CN1)CO H136151 [0,0,0,0,1,0|2,0,1]=4 346 B8R1.11 CC1=C(N=CN1)CO H157127 [0,0,0,0,1,0|2,0,1]=4 347 B8R1.11 CC1=C(SC=C1)C#N M185184 [0,0,0,0,1,0|3,0,0]=4 348 B8R1.11 CC1=C(SC=C1)C=O M157936 [0,0,0,0,1,0|3,0,0]=4 349 B8R1.11 CC1=C(SC=N1)C=C M124074 [0,0,0,0,1,0|2,0,1]=4 350 B8R1.11 CC1=C(SC=N1)C=O M137054 [0,0,0,0,1,0|3,0,0]=4 351 B8R1.11 CCN1C(=CC=N1)N E133315 [0,0,0,0,1,0|3,0,0]=4 352 B8R1.11 CCN1C=CN=C1C E588107 [0,0,0,0,1,0|2,0,0]=3 353 B8R1.11 CN1C(=CC=N1)C=O M138592 [0,0,0,0,1,0|3,0,0]=4 354 B8R1.11 CN1C=CN=C1C=O M123088 [0,0,0,0,1,0|3,0,0]=4 355 B8R1.11 CN1C=CN=C1CCl C186629 [0,0,0,0,1,0|3,0,0]=4 356 B8R1.11 CN1C=CN=C1CN M586747 [0,0,0,0,1,0|3,0,0]=4 357 B8R1.11 CN1C=CN=C1CO H157128 [0,0,0,0,1,0|3,0,0]=4 358 B7R0.10 CC(=NO)C(=NO)C C405555 [1,0,1,0,0,0|2,0,0]=4 359 B7R0.10 CC(=NO)C(=NO)C D111833 [1,0,1,0,0,0|2,0,0]=4 360 B7R0.10 CC(=NO)C(=NO)C D111834 [1,0,1,0,0,0|2,0,0]=4 361 B7R0.10 CC(=NO)C(=NO)C D404386 [1,0,1,0,0,0|2,0,0]=4 362 B7R0.10 CC(=N[O-])C(=N[O-])C D154977 [1,0,1,0,0,0|2,0,0]=4 363 B7R1.3 C1=CC(=CN=C1)Br B106977 [2,0,0,0,0,0|2,0,0]=4 364 B7R1.3 C1=CC(=CN=C1)Cl C106490 [2,0,0,0,0,0|2,0,0]=4 365 B7R1.3 C1=CC(=CN=C1)F F119663 [2,0,0,0,0,0|2,0,0]=4 366 B7R1.3 C1=CC(=CN=C1)I I101566 [2,0,0,0,0,0|2,0,0]=4 367 B7R1.3 C1=CC(=CN=C1)N A107134 [2,0,0,0,0,0|2,0,0]=4 368 B7R1.3 C1=CC(=CN=C1)N A107135 [2,0,0,0,0,0|2,0,0]=4 369 B7R1.3 C1=CC(=CN=C1)O H106342 [2,0,0,0,0,0|1,1,0]=4 370 B7R1.3 C1=CC(=CN=C1)O H434905 [2,0,0,0,0,0|1,1,0]=4 371 B7R1.3 C1=CC=NC(=C1)Br B109679 [2,0,0,0,0,0|2,0,0]=4 372 B7R1.3 C1=CC=NC(=C1)Cl C104870 [2,0,0,0,0,0|2,0,0]=4 373 B7R1.3 C1=CC=NC(=C1)F F120342 [2,0,0,0,0,0|2,0,0]=4 374 B7R1.3 C1=CC=NC(=C1)I I111393 [2,0,0,0,0,0|2,0,0]=4 375 B7R1.3 C1=CC=NC(=C1)N A105221 [2,0,0,0,0,0|2,0,0]=4 376 B7R1.3 C1=CC=NC(=C1)N A105222 [2,0,0,0,0,0|2,0,0]=4 377 B7R1.3 C1=CN=C(C=N1)Br B135014 [2,0,0,0,0,0|1,0,0]=3 378 B7R1.3 C1=CN=C(C=N1)Cl C124227 [2,0,0,0,0,0|1,0,0]=3 379 B7R1.3 C1=CN=C(C=N1)F F119252 [2,0,0,0,0,0|1,0,0]=3 380 B7R1.3 C1=CN=C(C=N1)I I157423 [2,0,0,0,0,0|1,0,0]=3 381 B7R1.3 C1=CN=C(C=N1)N A111242 [2,0,0,0,0,0|1,0,0]=3 382 B7R1.3 C1=CN=CC(=O)N1 H134514 [2,0,0,0,0,0|0,1,1]=4 383 B7R1.3 C1=CN=CC(=O)N1 P586771 [2,0,0,0,0,0|0,1,1]=4 384 B7R1.3 C1=CN=CC(=S)N1 M170065 [2,0,0,0,0,0|0,0,2]=4 385 B7R1.3 C1=CN=NC(=N1)N A165953 [2,0,0,0,0,0|2,0,0]=4 386 B7R1.3 CC1=CC=CC=C1 T102274 [2,0,0,0,0,0|2,0,0]=4 387 B7R1.3 CC1=CC=CC=C1 T102275 [2,0,0,0,0,0|2,0,0]=4 388 B7R1.3 CC1=CC=CC=C1 T102276 [2,0,0,0,0,0|2,0,0]=4 389 B7R1.3 CC1=CC=CC=C1 T399619 [2,0,0,0,0,0|2,0,0]=4 390 B7R1.3 CC1=CC=CC=C1 T399633 [2,0,0,0,0,0|2,0,0]=4 391 B7R1.3 CC1=CC=CC=C1 T399640 [2,0,0,0,0,0|2,0,0]=4 392 B7R1.3 CC1=CC=CC=C1 T399643 [2,0,0,0,0,0|2,0,0]=4 393 B7R1.3 CC1=CC=CC=C1 T399652 [2,0,0,0,0,0|2,0,0]=4 394 B7R1.3 CC1=CC=CC=C1 T399677 [2,0,0,0,0,0|2,0,0]=4 395 B7R1.3 CC1=CC=CC=C1 T399681 [2,0,0,0,0,0|2,0,0]=4 396 B7R1.3 CC1=CC=CC=N1 M108694 [2,0,0,0,0,0|1,0,0]=3 397 B7R1.3 CC1=CC=CC=N1 M108695 [2,0,0,0,0,0|1,0,0]=3 398 B7R1.3 CC1=CC=CC=N1 P122349 [2,0,0,0,0,0|1,0,0]=3 399 B7R1.3 CC1=CCC=CC1 M113652 [2,0,0,0,0,0|2,0,0]=4 400 B7R1.3 CC1=CN=CC=C1 P109209 [2,0,0,0,0,0|1,0,0]=3 401 B7R1.3 CC1=CN=CC=C1 P109210 [2,0,0,0,0,0|1,0,0]=3 402 B7R1.3 CC1=CN=CN=C1 M132067 [2,0,0,0,0,0|2,0,0]=4 403 B7R1.3 CC1=CN=NC=C1 M157845 [2,0,0,0,0,0|2,0,0]=4 404 B7R1.3 CC1=NC=CN=C1 M158369 [2,0,0,0,0,0|0,0,0]=2 405 B7R1.3 CC1=NC=NC=C1 M134934 [2,0,0,0,0,0|2,0,0]=4 406 B7R1.3 CC1=NN=CC=C1 M131781 [2,0,0,0,0,0|2,0,0]=4 407 B7R1.3 Cc1ccccn1 M141144 [2,0,0,0,0,0|1,0,0]=3 408 B9R1.1 C1=C(N=CC(=N1)Cl)CO C177296 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.1 CC1=CC=C(C=C1)SC M101848 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.1 CC1=CN=C(C=C1)OC M181247 [1,1,0,0,0,0|1,1,0]=4 411 B9R1.1 CC1=CN=C(C=N1)C=O M176646 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.1 CC1=CN=C(C=N1)CN A151407 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.1 CCC1=CN=C(C=C1)C E101695 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.1 CCC1=CN=C(C=C1)N E587963 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.1 CCC1=NC=C(N=C1)C E302421 [1,1,0,0,0,0|1,0,0]=3 416 B9R1.1 CNC1=CN=C(C=C1)Br B586167 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.1 COC1=CN=C(C=C1)Br B179025 [1,1,0,0,0,0|1,1,0]=4 418 B9R1.1 COC1=CN=C(C=C1)Cl C190823 [1,1,0,0,0,0|1,1,0]=4 419 B9R1.1 COC1=CN=C(C=C1)F F190725 [1,1,0,0,0,0|1,1,0]=4 420 B9R1.1 COC1=CN=C(C=C1)N M171668 [1,1,0,0,0,0|1,1,0]=4 421 B9R1.1 COC1=NC=C(C=C1)Br B115758 [1,1,0,0,0,0|1,1,0]=4 422 B9R1.1 COC1=NC=C(C=C1)Cl C120716 [1,1,0,0,0,0|1,1,0]=4 423 B9R1.1 COC1=NC=C(C=C1)F F120714 [1,1,0,0,0,0|1,1,0]=4 424 B9R1.1 COC1=NC=C(C=C1)I I132230 [1,1,0,0,0,0|1,1,0]=4 425 B9R1.1 COC1=NC=C(C=C1)N A151664 [1,1,0,0,0,0|1,1,0]=4 426 B9R1.1 COC1=NC=C(C=C1)N A400674 [1,1,0,0,0,0|1,1,0]=4 427 B9R1.1 COC1=NC=C(C=C1)O H184927 [1,1,0,0,0,0|1,1,0]=4 428 B9R1.1 CSC1=CC=C(C=C1)Br B101844 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.1 CSC1=CC=C(C=C1)Cl C101840 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.1 CSC1=CC=C(C=C1)F F101837 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.1 CSC1=CC=C(C=C1)N M101835 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.1 CSC1=CC=C(C=C1)O M100813 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.1 CSC1=CC=C(C=C1)S M101782 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.1 CSC1=NC=C(C=C1)Br B122969 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.1 CSC1=NC=C(C=N1)Br W131884 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.1 CSC1=NC=C(C=N1)Cl C170048 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.1 CSC1=NC=C(C=N1)F F338628 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.2 C1=C(N=C(C=N1)Cl)CO C586741 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.2 C1=C(N=C(C=N1)Cl)NN C185693 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.2 CC1=CC(=CC=C1)SC M351262 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.2 CC1=CC(=NC=C1)OC M122668 [1,1,0,0,0,0|1,1,0]=4 442 B9R1.2 CC1=NC(=CC=C1)OC M108062 [1,1,0,0,0,0|1,1,0]=4 443 B9R1.2 CC1=NC(=NC=C1)SC M124713 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.2 CNC1=NC(=CC=C1)Cl C195623 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.2 COC1=CC(=CN=C1)Br B115755 [1,1,0,0,0,0|1,1,0]=4 446 B9R1.2 COC1=CC(=CN=C1)Cl C479903 [1,1,0,0,0,0|1,1,0]=4 447 B9R1.2 COC1=CC=CC(=N1)N A119397 [1,1,0,0,0,0|1,1,0]=4 448 B9R1.2 COC1=CN=CC(=C1)O W132603 [1,1,0,0,0,0|1,1,0]=4 449 B9R1.2 COC1=NC(=CC=C1)Br B115753 [1,1,0,0,0,0|1,1,0]=4 450 B9R1.2 COC1=NC(=CC=C1)Cl C115751 [1,1,0,0,0,0|1,1,0]=4 451 B9R1.2 COC1=NC(=CC=C1)F F179764 [1,1,0,0,0,0|1,1,0]=4 452 B9R1.2 COC1=NC(=CC=C1)I I168070 [1,1,0,0,0,0|1,1,0]=4 453 B9R1.2 COC1=NC=CC(=C1)Br B178692 [1,1,0,0,0,0|1,1,0]=4 454 B9R1.2 COC1=NC=CC(=C1)Cl C186239 [1,1,0,0,0,0|1,1,0]=4 455 B9R1.2 COC1=NC=CC(=C1)N M119976 [1,1,0,0,0,0|1,1,0]=4 456 B9R1.2 CSC1=CC(=CC=C1)Br B101842 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.2 CSC1=CC(=CC=C1)Cl C101839 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.2 CSC1=CC(=NC=N1)Cl C136932 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.2 CSC1=CC=CC(=C1)F F156685 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.2 CSC1=CC=CC(=C1)N M101834 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.2 CSC1=NC=CC(=N1)Cl C123212 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.2 CSC1=NC=CC(=N1)N W135362 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.2 CSC1=NC=CC(=O)N1 M139019 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.6 C1=CN=C(C=N1)C(=N)N P344029 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.6 C1=CN=C(C=N1)C(=O)N P129219 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.6 C1=CN=C(C=N1)C(=O)O P106883 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.6 C1=CN=C(C=N1)C(=S)N P170458 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.6 CC(=O)C1=CC=CC=N1 A106232 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.6 CC(=O)C1=CC=CC=N1 A106233 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.6 CC(=O)C1=CN=CC=C1 A106235 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.6 CC(=O)C1=CN=CC=C1 A106236 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.6 CC(=O)C1=NC=CN=C1 A100996 [1,1,0,0,0,0|1,0,0]=3 473 B9R1.6 CC(C)C1=CC=CC=N1 I177046 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.6 CC(C1=CC=CC=N1)N P589080 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.6 CC(C1=CC=CC=N1)O P191765 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.6 CC(C1=CC=CC=N1)O R404547 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.6 CC(C1=CC=CC=N1)O S161029 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.6 CC(C1=CN=CC=C1)N P193948 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.6 CN(C)C1=CC=CC=N1 D154133 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.6 C[Si](C)C1=CC=CC=N1 D331179 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.6 NC(=O)C1=NC=CN=C1 P408463 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.8 C1=CC(=CN=C1)CCN A151786 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.8 C1=CC(=CN=C1)CCN A169450 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.8 C1=CC=C(C=C1)SCCl C101827 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.8 C1=CC=NC(=C1)CCBr B186289 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.8 C1=CC=NC(=C1)CCN A151790 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.8 C1=CC=NC(=C1)CCO P160791 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.8 C1=CN=C(C=N1)CCS M103122 [1,1,0,0,0,0|1,0,0]=3 489 B9R1.8 CCCC1=CC=CC=N1 P160637 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.8 CCCC1=NC=CN=C1 P132679 [1,1,0,0,0,0|1,0,0]=3 491 B9R1.8 CCOC1=CC=CC=N1 E137467 [1,1,0,0,0,0|1,1,0]=4 492 B9R1.8 CCOC1=NC=CN=C1 E136587 [1,1,0,0,0,0|0,1,0]=3 493 B9R1.8 CCSC1=CC=CC=C1 E101809 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.8 CNCC1=CC=CC=N1 M168526 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.8 CNCC1=CN=CC=C1 M138441 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.8 CSCC1=CC=CC=C1 B152510 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.3 CC1=C(C(=CC=C1)Br)C B101911 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.3 CC1=C(C(=CC=C1)C)C T109305 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.3 CC1=C(C(=CC=C1)C)C T109306 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.3 CC1=C(C(=CC=C1)C)S D103093 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.3 CC1=C(C(=CC=C1)Cl)C C123664 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.3 CC1=C(C(=CC=C1)F)C F122684 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.3 CC1=C(C(=CC=C1)I)C I123659 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.3 CC1=C(C(=CC=C1)N)C D107663 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.3 CC1=C(C(=CC=C1)N)C D154700 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.3 CC1=C(C(=CC=C1)O)C D104325 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.3 CC1=C(C(=CC=C1)O)C D104326 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.3 CC1=C(C(=CC=C1)O)C D117386 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.3 CC1=C(C=CN=C1Cl)F C586689 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.3 CC1=C(C=CN=C1Cl)I C120730 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.3 CC1=C(C=CN=C1Cl)N C590194 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.3 CC1=C(C=CN=C1F)Br B173203 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.3 CC1=C(C=CN=C1F)I F181696 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.3 CC1=NC=CC(=C1F)Br B586620 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.69 C1=C(N=C(C(=N1)Br)Cl)N B135308 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.69 C1=C(N=C(C(=N1)Cl)Br)Br D179322 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.69 C1=C(N=C(C(=N1)Cl)N)Br B179323 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.69 C1=C(N=C(C(=N1)N)Br)Br A103126 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.69 C1=C(N=C(C(=N1)N)Br)Cl A186489 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.69 C1=C(N=C(C(=N1)N)Cl)Cl D187416 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.69 C1=C(N=C(C(=N1)N)N)Br B178041 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.69 CC1=C(C=C(C=C1)Br)C B101675 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.69 CC1=C(C=C(C=C1)Br)C B101676 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.69 CC1=C(C=C(C=C1)Cl)C C113569 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.69 CC1=C(C=C(C=C1)F)C F124479 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.69 CC1=C(C=C(C=C1)I)C D123657 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.69 CC1=C(C=C(C=C1)N)C D113394 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.69 CC1=C(C=C(C=C1)O)C D104347 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.69 CC1=C(C=C(C=C1)O)C D117389 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.69 CC1=C(C=C(C=N1)Br)Cl B178179 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.69 CC1=C(C=C(C=N1)Br)N A139435 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.69 CC1=C(C=C(C=N1)F)Br B586615 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.69 CC1=C(C=C(C=N1)N)Br B175304 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.69 CC1=C(C=CC(=N1)Br)Br W134958 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.69 CC1=C(C=CC(=N1)Br)F B184106 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.69 CC1=C(C=CC(=N1)Br)N A151749 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.69 CC1=C(C=CC(=N1)Br)O B189928 [1,1,0,0,0,0|1,1,0]=4 538 B9R1.69 CC1=C(C=CC(=N1)Cl)Br B151865 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.69 CC1=C(C=CC(=N1)Cl)F C187646 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.69 CC1=C(C=CC(=N1)Cl)N A137489 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.69 CC1=C(C=CC(=N1)Cl)O C588169 [1,1,0,0,0,0|1,1,0]=4 542 B9R1.69 CC1=C(C=CC(=N1)F)Br B184112 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.69 CC1=C(C=CC(=N1)N)Br A101193 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.69 CC1=C(C=CC(=N1)N)Cl W134135 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.69 CC1=C(C=CC(=N1)N)I I139241 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.69 CC1=C(N=C(C=C1)Br)N B178057 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.69 CC1=C(N=C(C=C1)Cl)Cl D139037 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.69 CC1=C(N=C(C=C1)N)Br B178058 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.69 CC1=C(N=C(C=C1)N)C A406933 [1,1,0,0,0,0|1,0,0]=3 550 B9R1.69 CC1=C(N=C(C=C1)N)Cl C184559 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.69 CC1=C(N=NC(=N1)N)C A151175 [1,1,0,0,0,0|1,0,0]=3 552 B9R1.69 CC1=CC(=C(C=C1)C)C T110885 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.69 CC1=CC(=C(C=C1)C)C T110887 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.69 CC1=CC(=C(C=C1)C)C T110888 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.69 CC1=CC(=C(C=C1)C)C T128160 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.69 CC1=CC(=C(C=C1)C)S D101775 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.69 CC1=CC(=C(C=C1)S)C D101774 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.69 CC1=CC(=C(N=C1)Br)C B188354 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.69 CC1=CC(=C(N=C1)C)C C109929 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.69 CC1=CC(=C(N=C1)N)C D193349 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.69 CC1=CC(=CN=C1Br)Br D154210 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.69 CC1=CC(=CN=C1Br)Cl B185847 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.69 CC1=CC(=CN=C1Br)F B119669 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.69 CC1=CC(=CN=C1Br)I B151864 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.69 CC1=CC(=CN=C1Br)N A151752 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.69 CC1=CC(=CN=C1Br)O B178697 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.69 CC1=CC(=CN=C1C)N D589816 [1,1,0,0,0,0|1,0,0]=3 568 B9R1.69 CC1=CC(=CN=C1Cl)Br B102593 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.69 CC1=CC(=CN=C1Cl)F C138770 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.69 CC1=CC(=CN=C1Cl)N A137214 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.69 CC1=CC(=CN=C1Cl)O C193845 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.69 CC1=CC(=CN=C1F)Br B121813 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.69 CC1=CC(=CN=C1F)Cl C184113 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.69 CC1=CC(=CN=C1F)N A480624 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.69 CC1=CC(=CN=C1F)O F587834 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.69 CC1=CC(=CN=C1N)Br A151675 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.69 CC1=CC(=CN=C1N)Cl A151671 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.69 CC1=CC(=CN=C1N)I I132791 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.69 CC1=CN=C(C(=N1)C)C T106601 [1,1,0,0,0,0|0,0,0]=2 580 B9R1.69 CC1=CN=C(C(=N1)C)Cl C153710 [1,1,0,0,0,0|1,0,0]=3 581 B9R1.69 CC1=CN=C(C(=N1)Cl)C C139492 [1,1,0,0,0,0|1,0,0]=3 582 B9R1.69 CC1=CN=C(C(=N1)Cl)N C195628 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.69 CC1=NC(=C(C=C1)Br)C B138700 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.69 CC1=NC(=C(C=C1)N)C A121811 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.69 CC1=NC=C(N=C1C)Cl C589603 [1,1,0,0,0,0|0,0,0]=2 586 B9R1.69 CC1=NC=C(N=C1Cl)Cl D590594 [1,1,0,0,0,0|1,0,0]=3 587 B9R1.27 CCC1=C(NC=C1C)C E123131 [0,1,0,0,1,0|1,0,1]=4 588 B9R1.33 CC1=C(SC=N1)CCCl C153490 [0,1,0,0,1,0|2,0,0]=4 589 B9R1.33 CC1=C(SC=N1)CCO M106766 [0,1,0,0,1,0|2,0,0]=4 590 B9R1.33 CC1=NC=CN1CCN M195358 [0,1,0,0,1,0|2,0,0]=4 591 B9R1.33 CCOC1=C(N=CO1)C E193596 [0,1,0,0,1,0|1,1,0]=4 592 B9R1.41 CC1=C(SC=C1)C(=O)C A167103 [0,1,0,0,1,0|2,0,0]=4 593 B9R1.41 CC1=C(SC=N1)C(=O)C M170041 [0,1,0,0,1,0|2,0,0]=4 594 B11R1.265 CSC1=C(C(=CC=C1)Cl)CO C346511 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.86 CC1=C(N=CC=C1)NC(=O)C A186388 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.86 CC1=NC=CN=C1CC(C)C I157645 [0,2,0,0,0,0|1,0,0]=3 597 B11R1.222 CC1=C(C=CC=N1)C(=O)OC M136712 [0,2,0,0,0,0|1,1,0]=4 598 B11R1.222 CC1=C(N=CC=C1)C(=O)OC M135026 [0,2,0,0,0,0|1,1,0]=4 599 B11R1.222 COC(=O)C1=NC=CN=C1Cl M158370 [0,2,0,0,0,0|1,1,0]=4 600 B11R1.222 COC(=O)C1=NC=CN=C1N M123716 [0,2,0,0,0,0|1,1,0]=4 601 B11R1.37 CC1=NC(=C(C=C1)OC)OC D187204 [0,2,0,0,0,0|1,1,0]=4 602 B11R1.37 CCC1=NC=C(N=C1CC)C D103575 [0,2,0,0,0,0|1,0,0]=3 603 B11R1.37 COC1=C(C=C(C=N1)Br)CO B176227 [0,2,0,0,0,0|1,1,0]=4 604 B11R1.37 COC1=C(C=C(C=N1)Cl)CO C169809 [0,2,0,0,0,0|1,1,0]=4 605 B11R1.37 COC1=C(C=C(C=N1)F)CO F195484 [0,2,0,0,0,0|1,1,0]=4 606 B11R1.37 COC1=C(N=C(C=C1)Cl)OC C165861 [0,2,0,0,0,0|1,1,0]=4 607 B11R1.37 COC1=C(N=C(C=C1)I)OC I183671 [0,2,0,0,0,0|1,1,0]=4 608 B11R1.37 COC1=C(N=CC(=C1)Br)OC B184979 [0,2,0,0,0,0|1,1,0]=4 609 B11R1.37 COC1=C(N=CC(=C1)Cl)OC C169259 [0,2,0,0,0,0|1,1,0]=4 610 B11R1.37 COC1=NC=C(N=C1OC)Br B187874 [0,2,0,0,0,0|0,1,0]=3 611 B11R1.53 CC(=O)C1=C(C=CC=N1)OC E491135 [0,2,0,0,0,0|1,1,0]=4 612 B11R1.53 CC(C)C1=NC=CN=C1OC I135731 [0,2,0,0,0,0|0,1,0]=3 613 B11R1.53 CCC1=NC=CN=C1C(=O)C A124067 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.53 CSC1=C(C=CC=N1)C(=O)O M420056 [0,2,0,0,0,0|1,0,1]=4 615 B11R1.166 CC1=CN=C(C(=N1)C)C(=O)C A135006 [0,2,0,0,0,0|1,0,0]=3 616 B11R1.277 CC1=C(N=C(C(=N1)C)CO)C T194937 [0,2,0,0,0,0|2,0,0]=4 617 B11R2.20 C1CC2=C(C=CC=N2)OC1 D186135 [0,1,0,1,0,0|1,1,0]=4 618 B11R2.20 C1CCC2=C(C1)C=CC=N2 T108003 [0,1,0,1,0,0|2,0,0]=4 619 B11R2.20 C1CCC2=NC=CN=C2C1 T161676 [0,1,0,1,0,0|1,0,0]=3 620 B11R2.20 C1CNCC2=C1C=CC=N2 T176221 [0,1,0,1,0,0|2,0,0]=4 621 B11R2.20 C1COC2=C(N1)C=CC=N2 D179428 [0,1,0,1,0,0|1,1,0]=4 622 B11R2.20 C1COC2=C(O1)C=CC=N2 D166866 [0,1,0,1,0,0|1,1,0]=4 623 B11R2.1 C1CC2=C(C1O)C=CC=N2 D586296 [0,1,0,1,0,0|2,0,0]=4 624 B11R2.1 CC1CCC2=NC=CN=C12 M111400 [0,1,0,1,0,0|1,0,0]=3 625 B11R2.36 C1CC2=C(C1)N=C(C=C2)Cl C586503 [0,1,0,1,0,0|2,0,0]=4 626 B7R1.1 CCC1=CC=CN1 E156214 [1,0,0,0,1,0|1,0,1]=4 627 B7R1.1 CCC1=CC=CO1 E102538 [1,0,0,0,1,0|2,0,0]=4 628 B7R1.1 CCC1=CC=CO1 E141264 [1,0,0,0,1,0|2,0,0]=4 629 B7R1.1 CCC1=CC=CS1 E101589 [1,0,0,0,1,0|2,0,0]=4 630 B7R1.1 CCC1=CC=C[CH-]1 D166828 [1,0,0,0,1,0|2,0,0]=4 631 B7R1.1 CCC1=CN=CN1 E156331 [1,0,0,0,1,0|1,0,1]=4 632 B7R1.1 CCC1=CNN=C1 E167848 [1,0,0,0,1,0|2,0,0]=4 633 B7R1.1 CCC1=CSC=C1 E156073 [1,0,0,0,1,0|2,0,0]=4 634 B7R1.1 CCC1=NC=CN1 E137989 [1,0,0,0,1,0|1,0,1]=4 635 B7R1.1 CCN1C=CC=N1 E156393 [1,0,0,0,1,0|2,0,0]=4 636 B7R1.1 CCN1C=CN=C1 E139207 [1,0,0,0,1,0|2,0,0]=4 637 B7R1.1 CCN1C=NC=N1 E587605 [1,0,0,0,1,0|2,0,0]=4 638 B7R1.1 COC1=CC=CO1 M158540 [1,0,0,0,1,0|1,1,0]=4 639 B7R1.1 COC1=CC=CS1 M103170 [1,0,0,0,1,0|1,1,0]=4 640 B7R1.1 COC1=CC=NN1 M588136 [1,0,0,0,1,0|1,1,0]=4 641 B7R1.1 COC1=CSC=C1 M103169 [1,0,0,0,1,0|1,1,0]=4 642 B7R1.1 COC1=NC=CS1 M158486 [1,0,0,0,1,0|1,1,0]=4 643 B7R1.1 CSC1=CC=CS1 M123048 [1,0,0,0,1,0|1,0,0]=3 644 B7R1.1 CSC1=NC=CS1 M158485 [1,0,0,0,1,0|1,0,0]=3 645 B7R1.4 CC1=C(C=CO1)S M102912 [1,0,0,0,1,0|1,0,0]=3 646 B7R1.4 CC1=C(C=CS1)Br B183547 [1,0,0,0,1,0|2,0,0]=4 647 B7R1.4 CC1=C(N=CN1)C D589384 [1,0,0,0,1,0|0,0,1]=3 648 B7R1.4 CC1=C(NN=C1)C D175998 [1,0,0,0,1,0|1,0,1]=4 649 B7R1.4 CC1=C(NN=C1)C D302720 [1,0,0,0,1,0|1,0,1]=4 650 B7R1.4 CC1=C(SC=C1)Br B103181 [1,0,0,0,1,0|2,0,0]=4 651 B7R1.4 CC1=C(SC=C1)C D135046 [1,0,0,0,1,0|1,0,0]=3 652 B7R1.4 CC1=C(SC=C1)Cl C101382 [1,0,0,0,1,0|2,0,0]=4 653 B7R1.4 CC1=C(SC=N1)C D119298 [1,0,0,0,1,0|1,0,0]=3 654 B7R1.4 CC1=CC=NN1C D154766 [1,0,0,0,1,0|1,0,0]=3 655 B7R1.4 CC1=NC=CN1C D106351 [1,0,0,0,1,0|1,0,0]=3 656 B7R1.4 CN1C(=CC=N1)I I138694 [1,0,0,0,1,0|2,0,0]=4 657 B7R1.4 CN1C(=CC=N1)N A180010 [1,0,0,0,1,0|2,0,0]=4 658 B7R1.4 CN1C(=NC=N1)Br B138350 [1,0,0,0,1,0|2,0,0]=4 659 B7R1.4 CN1C(=NC=N1)N M587441 [1,0,0,0,1,0|2,0,0]=4 660 B7R1.4 CN1C=CN=C1Br B167785 [1,0,0,0,1,0|2,0,0]=4 661 B7R1.4 CN1C=CN=C1Cl C183175 [1,0,0,0,1,0|2,0,0]=4 662 B7R1.4 CN1C=CN=C1I I184073 [1,0,0,0,1,0|2,0,0]=4