0 B9R1.69 C1(=O)C(=NNC(=O)N1)Br B134174 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.69 C1=C(C(=CN=C1Br)Cl)Cl B586208 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.69 C1=C(C(=CN=C1Br)F)I B586284 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.69 C1=C(C(=CN=C1Cl)Br)Cl B195297 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.69 C1=C(C(=CN=C1Cl)Br)I B184327 [0,0,0,0,0,0|3,1,0]=4 5 B9R1.69 C1=C(C(=CN=C1Cl)Br)N B134047 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.69 C1=C(C(=CN=C1Cl)Cl)Cl T176794 [0,0,0,0,0,0|3,1,0]=4 7 B9R1.69 C1=C(C(=CN=C1Cl)Cl)I D590206 [0,0,0,0,0,0|3,1,0]=4 8 B9R1.69 C1=C(C(=CN=C1Cl)F)I C195528 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.69 C1=C(C(=CN=C1Cl)N)I C406435 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 C1=C(C(=CN=C1Cl)O)I C590475 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 C1=C(C(=CN=C1F)Br)Cl B586518 [0,0,0,0,0,0|3,1,0]=4 12 B9R1.69 C1=C(C(=CN=C1F)Cl)F C587748 [0,0,0,0,0,0|3,1,0]=4 13 B9R1.69 C1=C(C(=CN=C1F)Cl)I C589811 [0,0,0,0,0,0|3,1,0]=4 14 B9R1.69 C1=C(C(=CN=C1F)F)Cl C590342 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.69 C1=C(C(=CN=C1F)F)I D178774 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.69 C1=C(C(=CN=C1N)Br)Cl B178386 [0,0,0,0,0,0|3,1,0]=4 17 B9R1.69 C1=C(C(=CN=C1N)Cl)Br B179962 [0,0,0,0,0,0|3,1,0]=4 18 B9R1.69 C1=C(C(=CN=C1N)Cl)Cl D175321 [0,0,0,0,0,0|3,1,0]=4 19 B9R1.69 C1=C(C(=CN=C1N)I)Br B573563 [0,0,0,0,0,0|3,1,0]=4 20 B9R1.69 C1=C(C(=CN=C1N)I)Cl C480400 [0,0,0,0,0,0|3,1,0]=4 21 B9R1.69 C1=C(C(=CN=C1N)I)F F578857 [0,0,0,0,0,0|3,1,0]=4 22 B9R1.69 C1=C(C(=CNC1=O)Br)F B587741 [0,0,0,0,0,0|2,1,1]=4 23 B9R1.69 C1=C(C(=CNC1=O)Cl)O G129778 [0,0,0,0,0,0|2,1,1]=4 24 B9R1.69 C1=C(C(=NC(=N1)Br)Br)F D587090 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.69 C1=C(C(=NC(=N1)Cl)Br)F B587249 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.69 C1=C(C(=NC(=N1)Cl)Cl)Br B122732 [0,0,0,0,0,0|2,1,1]=4 27 B9R1.69 C1=C(C(=NC(=N1)Cl)Cl)Cl T116108 [0,0,0,0,0,0|2,1,1]=4 28 B9R1.69 C1=C(C(=NC(=N1)Cl)Cl)F D119251 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.69 C1=C(C(=NC(=N1)Cl)Cl)I D119253 [0,0,0,0,0,0|2,1,1]=4 30 B9R1.69 C1=C(C(=NC(=N1)Cl)Cl)N A123458 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.69 C1=C(C(=NC(=N1)Cl)N)Br A121855 [0,0,0,0,0,0|1,1,1]=3 32 B9R1.69 C1=C(C(=NC(=N1)Cl)N)F C132651 [0,0,0,0,0,0|1,0,1]=2 33 B9R1.69 C1=C(C(=NC(=N1)N)Cl)Br B171803 [0,0,0,0,0,0|2,1,1]=4 34 B9R1.69 C1=C(C(=NC(=N1)N)N)O C336624 [0,0,0,0,0,0|2,0,1]=3 35 B9R1.69 C1=C(C(=NN=C1Cl)Cl)N D186768 [0,0,0,0,0,0|3,1,0]=4 36 B9R1.69 C1=C(C(=O)NC(=N1)Cl)F C181747 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.69 C1=C(C(=O)NC(=O)N1)Br B109680 [0,0,0,0,0,0|1,1,1]=3 38 B9R1.69 C1=C(C(=O)NC(=O)N1)Cl C103227 [0,0,0,0,0,0|1,1,1]=3 39 B9R1.69 C1=C(C(=O)NC(=O)N1)F F100149 [0,0,0,0,0,0|1,0,1]=2 40 B9R1.69 C1=C(C(=O)NC(=O)N1)I I124244 [0,0,0,0,0,0|1,1,1]=3 41 B9R1.69 C1=C(C(=O)NC(=O)N1)N A119337 [0,0,0,0,0,0|2,0,1]=3 42 B9R1.69 C1=C(NC=C(C1=O)F)Cl C586549 [0,0,0,0,0,0|3,0,1]=4 43 B9R1.69 C1=CC(=C(C=C1Br)Br)F D122667 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.69 C1=CC(=C(C=C1Br)Cl)F B122630 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.69 C1=CC(=C(C=C1Br)F)F B136570 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.69 C1=CC(=C(C=C1Br)I)F B179765 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.69 C1=CC(=C(C=C1Br)N)Br D138742 [0,0,0,0,0,0|3,1,0]=4 48 B9R1.69 C1=CC(=C(C=C1Br)N)Cl B185533 [0,0,0,0,0,0|3,1,0]=4 49 B9R1.69 C1=CC(=C(C=C1Br)N)F B122475 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.69 C1=CC(=C(C=C1Br)N)N B122633 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.69 C1=CC(=C(C=C1Br)N)O A123465 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.69 C1=CC(=C(C=C1Br)O)F B120822 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.69 C1=CC(=C(C=C1Cl)Br)F B132950 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.69 C1=CC(=C(C=C1Cl)Cl)F D107754 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.69 C1=CC(=C(C=C1Cl)F)F C121041 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.69 C1=CC(=C(C=C1Cl)N)Br B135902 [0,0,0,0,0,0|3,1,0]=4 57 B9R1.69 C1=CC(=C(C=C1Cl)N)Cl D103985 [0,0,0,0,0,0|3,1,0]=4 58 B9R1.69 C1=CC(=C(C=C1Cl)N)Cl D141227 [0,0,0,0,0,0|3,1,0]=4 59 B9R1.69 C1=CC(=C(C=C1Cl)N)F C122488 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.69 C1=CC(=C(C=C1Cl)N)I C122523 [0,0,0,0,0,0|3,1,0]=4 61 B9R1.69 C1=CC(=C(C=C1Cl)N)N C122655 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.69 C1=CC(=C(C=C1Cl)N)O A107175 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.69 C1=CC(=C(C=C1Cl)N)S A101758 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.69 C1=CC(=C(C=C1Cl)O)F C182325 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.69 C1=CC(=C(C=C1F)Br)F B152646 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.69 C1=CC(=C(C=C1F)Cl)F C133122 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.69 C1=CC(=C(C=C1F)F)F T161823 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.69 C1=CC(=C(C=C1F)I)F D155245 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.69 C1=CC(=C(C=C1F)N)Br B104223 [0,0,0,0,0,0|3,1,0]=4 70 B9R1.69 C1=CC(=C(C=C1F)N)Cl C122485 [0,0,0,0,0,0|3,1,0]=4 71 B9R1.69 C1=CC(=C(C=C1F)N)F D155252 [0,0,0,0,0,0|3,0,0]=3 72 B9R1.69 C1=CC(=C(C=C1F)N)I F122495 [0,0,0,0,0,0|3,1,0]=4 73 B9R1.69 C1=CC(=C(C=C1F)N)N F129142 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.69 C1=CC(=C(C=C1F)N)O A124264 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.69 C1=CC(=C(C=C1F)O)F D122593 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.69 C1=CC(=C(C=C1I)Br)F B186720 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.69 C1=CC(=C(C=C1I)Cl)F W132261 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.69 C1=CC(=C(C=C1I)F)F D115538 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.69 C1=CC(=C(C=C1N)Br)F B122474 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.69 C1=CC(=C(C=C1N)Cl)F C106553 [0,0,0,0,0,0|4,0,0]=4 81 B9R1.69 C1=CC(=C(C=C1N)Cl)F C106554 [0,0,0,0,0,0|4,0,0]=4 82 B9R1.69 C1=CC(=C(C=C1N)F)F D155253 [0,0,0,0,0,0|4,0,0]=4 83 B9R1.69 C1=CC(=C(C=C1N)N)Cl C134670 [0,0,0,0,0,0|3,1,0]=4 84 B9R1.69 C1=CC(=C(C=C1N)N)F F122661 [0,0,0,0,0,0|3,0,0]=3 85 B9R1.69 C1=CC(=C(C=C1N)N)N T162209 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.69 C1=CC(=C(C=C1N)N)O A151245 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.69 C1=CC(=C(C=C1N)N)O A151538 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.69 C1=CC(=C(C=C1N)N)O D154509 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.69 C1=CC(=C(C=C1O)Br)F B137152 [0,0,0,0,0,0|3,0,1]=4 90 B9R1.69 C1=CC(=C(C=C1O)Cl)F C120812 [0,0,0,0,0,0|3,0,1]=4 91 B9R1.69 C1=CC(=C(C=C1O)F)F D120810 [0,0,0,0,0,0|3,0,1]=4 92 B9R1.69 C1=CC(=C(C=C1O)N)Br A178691 [0,0,0,0,0,0|2,1,1]=4 93 B9R1.69 C1=CC(=C(C=C1O)N)Cl W132659 [0,0,0,0,0,0|2,1,1]=4 94 B9R1.69 C1=CC(=C(C=C1O)N)F A137308 [0,0,0,0,0,0|2,0,1]=3 95 B9R1.69 C1=CC(=C(C=C1O)O)F F131375 [0,0,0,0,0,0|3,0,1]=4 96 B9R1.69 C1=CC(=C(C=C1S)F)F D101763 [0,0,0,0,0,0|3,1,0]=4 97 B9R1.69 C1=CC(=NC(=C1F)F)F T176223 [0,0,0,0,0,0|3,0,1]=4 98 B9R1.69 C1=CC(=NC(=C1F)N)F D491332 [0,0,0,0,0,0|2,0,1]=3 99 B9R1.69 C1=CC(=NC(=C1N)N)Br B181030 [0,0,0,0,0,0|3,0,1]=4 100 B9R1.69 C1=CC(=NC(=C1N)N)Cl D138813 [0,0,0,0,0,0|3,0,1]=4 101 B9R1.69 C1=CC(=O)C(=CC1=O)Cl C112976 [0,0,0,0,0,0|4,0,0]=4 102 B9R1.69 C1=CC(=O)NC(=C1Br)F B586696 [0,0,0,0,0,0|2,1,0]=3 103 B9R1.69 C1=NC(=O)NC(=C1Br)N B132880 [0,0,0,0,0,0|0,1,0]=1 104 B9R1.69 C1=NC(=O)NC(=C1F)N F123460 [0,0,0,0,0,0|0,0,0]=0 105 B9R1.69 C1C(=O)C(=O)NC(=O)N1 I157562 [0,0,0,0,0,0|2,0,2]=4 106 B9R1.69 CC1=C(C=C(C=C1)Br)N B122515 [0,0,0,0,0,0|4,0,0]=4 107 B9R1.69 CC1=C(C=C(C=C1)Cl)N C106532 [0,0,0,0,0,0|4,0,0]=4 108 B9R1.69 CC1=C(C=C(C=C1)Cl)N C153903 [0,0,0,0,0,0|4,0,0]=4 109 B9R1.69 CC1=C(C=C(C=C1)F)N F120718 [0,0,0,0,0,0|4,0,0]=4 110 B9R1.69 CC1=C(C=C(C=C1)I)N I113818 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.69 CC1=C(C=C(C=C1)N)N D103648 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.69 CC1=C(C=C(C=C1)N)N D103649 [0,0,0,0,0,0|4,0,0]=4 113 B9R1.69 CC1=C(C=C(C=C1)N)N D103650 [0,0,0,0,0,0|4,0,0]=4 114 B9R1.69 CC1=C(C=C(C=C1)N)N D141204 [0,0,0,0,0,0|4,0,0]=4 115 B9R1.69 CC1=C(C=C(C=C1)O)N A183421 [0,0,0,0,0,0|3,0,1]=4 116 B9R1.69 CC1=C(C=CC(=C1)Br)F B120752 [0,0,0,0,0,0|4,0,0]=4 117 B9R1.69 CC1=C(C=CC(=C1)Cl)F C120762 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.69 CC1=C(C=CC(=C1)F)F D120698 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.69 CC1=C(C=CC(=C1)I)F F122779 [0,0,0,0,0,0|4,0,0]=4 120 B9R1.69 CC1=C(C=CC(=C1)N)F F120715 [0,0,0,0,0,0|4,0,0]=4 121 B9R1.69 CC1=C(C=CC(=C1)O)F F120819 [0,0,0,0,0,0|3,0,1]=4 122 B9R1.69 CC1=C(C=CC(=N1)Br)F B184106 [0,0,0,0,0,0|3,0,1]=4 123 B9R1.69 CC1=C(C=CC(=N1)Cl)F C187646 [0,0,0,0,0,0|3,0,1]=4 124 B9R1.69 CC1=C(C=CC(=O)N1)Br B135980 [0,0,0,0,0,0|2,1,0]=3 125 B9R1.69 CC1=C(C=CC(=O)N1)I I195885 [0,0,0,0,0,0|2,1,0]=3 126 B9R1.69 CC1=C(N=C(C=C1)Br)N B178057 [0,0,0,0,0,0|3,0,1]=4 127 B9R1.69 CC1=C(NC(=O)N=C1)N M133493 [0,0,0,0,0,0|1,0,0]=1 128 B9R1.69 CC1=C(NC(=O)N=C1)N M158547 [0,0,0,0,0,0|1,0,0]=1 129 B9R1.69 CC1=CC(=C(C=C1)Br)N W136366 [0,0,0,0,0,0|3,1,0]=4 130 B9R1.69 CC1=CC(=C(C=C1)C)N D106348 [0,0,0,0,0,0|4,0,0]=4 131 B9R1.69 CC1=CC(=C(C=C1)Cl)N C153907 [0,0,0,0,0,0|3,1,0]=4 132 B9R1.69 CC1=CC(=C(C=C1)F)Br B120742 [0,0,0,0,0,0|4,0,0]=4 133 B9R1.69 CC1=CC(=C(C=C1)F)Cl C181666 [0,0,0,0,0,0|4,0,0]=4 134 B9R1.69 CC1=CC(=C(C=C1)F)F D120699 [0,0,0,0,0,0|4,0,0]=4 135 B9R1.69 CC1=CC(=C(C=C1)F)I F122783 [0,0,0,0,0,0|4,0,0]=4 136 B9R1.69 CC1=CC(=C(C=C1)F)N F113848 [0,0,0,0,0,0|3,0,0]=3 137 B9R1.69 CC1=CC(=C(C=C1)F)O F124272 [0,0,0,0,0,0|4,0,0]=4 138 B9R1.69 CC1=CC(=C(C=C1)I)N I181158 [0,0,0,0,0,0|3,1,0]=4 139 B9R1.69 CC1=CC(=C(C=C1)N)N D106442 [0,0,0,0,0,0|4,0,0]=4 140 B9R1.69 CC1=CC(=C(C=C1)N)N D106444 [0,0,0,0,0,0|4,0,0]=4 141 B9R1.69 CC1=CC(=C(C=C1)O)N A107257 [0,0,0,0,0,0|4,0,0]=4 142 B9R1.69 CC1=CC(=C(C=N1)Br)N A586241 [0,0,0,0,0,0|2,1,0]=3 143 B9R1.69 CC1=CC(=C(C=N1)Cl)Br B586612 [0,0,0,0,0,0|3,1,0]=4 144 B9R1.69 CC1=CC(=C(C=N1)O)Br B586814 [0,0,0,0,0,0|4,0,0]=4 145 B9R1.69 CC1=CC(=NC=C1Br)Br W134623 [0,0,0,0,0,0|3,1,0]=4 146 B9R1.69 CC1=CC(=NC=C1Br)Cl B124335 [0,0,0,0,0,0|3,1,0]=4 147 B9R1.69 CC1=CC(=NC=C1Br)F B187245 [0,0,0,0,0,0|3,1,0]=4 148 B9R1.69 CC1=CC(=NC=C1Br)N A124300 [0,0,0,0,0,0|3,1,0]=4 149 B9R1.69 CC1=CC(=NC=C1Cl)N A151751 [0,0,0,0,0,0|3,1,0]=4 150 B9R1.69 CC1=CC(=NC=C1I)N A151744 [0,0,0,0,0,0|3,1,0]=4 151 B9R1.69 CC1=CC(=NC=C1N)Br B167565 [0,0,0,0,0,0|4,0,0]=4 152 B9R1.69 CC1=CC(=NC=C1N)F A467479 [0,0,0,0,0,0|4,0,0]=4 153 B9R1.69 CC1=CC(=O)C=CC1=O I135188 [0,0,0,0,0,0|4,0,0]=4 154 B9R1.69 CC1=CC(=O)NC=C1Br B121807 [0,0,0,0,0,0|2,1,1]=4 155 B9R1.69 CC1=CC=C(C(=O)N1)Br B184103 [0,0,0,0,0,0|3,1,0]=4 156 B9R1.69 CC1=CN=C(C=C1Br)F B586692 [0,0,0,0,0,0|4,0,0]=4 157 B9R1.69 CC1=CN=C(C=C1Br)N B586207 [0,0,0,0,0,0|4,0,0]=4 158 B9R1.69 CC1=CN=C(C=C1Cl)Cl D134689 [0,0,0,0,0,0|4,0,0]=4 159 B9R1.69 CC1=CN=C(C=C1I)Cl C166361 [0,0,0,0,0,0|4,0,0]=4 160 B9R1.69 CC1=CN=C(C=C1I)F F120740 [0,0,0,0,0,0|4,0,0]=4 161 B9R1.69 CC1=CN=C(C=C1N)Br B590193 [0,0,0,0,0,0|3,0,0]=3 162 B9R1.69 CC1=CN=C(N=C1Cl)C C479451 [0,0,0,0,0,0|3,0,1]=4 163 B9R1.69 CC1=CN=C(N=C1Cl)Cl D115772 [0,0,0,0,0,0|3,0,1]=4 164 B9R1.69 CC1=CN=C(N=C1Cl)N C175561 [0,0,0,0,0,0|3,0,1]=4 165 B9R1.69 CC1=CN=C(NC1=O)N A478727 [0,0,0,0,0,0|3,0,0]=3 166 B9R1.69 CC1=CNC(=O)C=C1N A196047 [0,0,0,0,0,0|2,0,1]=3 167 B9R1.69 CC1=CNC(=O)NC1=O T108391 [0,0,0,0,0,0|2,0,1]=3 168 B9R1.69 CC1=CNC(=O)NC1=O T108392 [0,0,0,0,0,0|2,0,1]=3 169 B9R1.69 CC1=CNC(=O)NC1=O T425316 [0,0,0,0,0,0|2,0,1]=3 170 B9R1.69 CC1=CNC(=S)NC1=O M135664 [0,0,0,0,0,0|2,1,1]=4 171 B9R1.69 CC1=NC(=C(C=C1)Br)N A120782 [0,0,0,0,0,0|2,1,1]=4 172 B9R1.69 CC1=NC(=C(C=C1)F)Br B169985 [0,0,0,0,0,0|3,0,1]=4 173 B9R1.69 CC1=NC(=C(C=C1)F)Cl C184102 [0,0,0,0,0,0|3,0,1]=4 174 B9R1.69 CC1=NC(=C(C=C1)O)N A191936 [0,0,0,0,0,0|3,0,1]=4 175 B9R1.69 CC1=NC(=NC=C1Br)Cl B185701 [0,0,0,0,0,0|2,1,1]=4 176 B9R1.69 CC1=NC(=NC=C1Br)N W132022 [0,0,0,0,0,0|2,1,1]=4 177 B9R1.69 CC1=NC=C(C(=O)N1)Br B181969 [0,0,0,0,0,0|2,1,0]=3 178 B9R1.69 CC1=NNC(=O)NC1=O A151412 [0,0,0,0,0,0|3,0,1]=4 179 B9R1.69 FC1=CNC(=O)NC1=O F408985 [0,0,0,0,0,0|1,0,1]=2 180 B9R1.69 NC1=NC(=O)NC=C1F F408225 [0,0,0,0,0,0|0,0,2]=2 181 B9R1.69 OC1=CC(=O)NC=C1Cl G408465 [0,0,0,0,0,0|2,1,1]=4 182 B8R1.3 C1=C(C=NC(=N1)Br)Br D121632 [1,0,0,0,0,0|1,1,1]=4 183 B8R1.3 C1=C(C=NC(=N1)Br)F B178446 [1,0,0,0,0,0|1,0,1]=3 184 B8R1.3 C1=C(C=NC(=N1)Br)N A185256 [1,0,0,0,0,0|2,0,1]=4 185 B8R1.3 C1=C(C=NC(=N1)Br)O B172861 [1,0,0,0,0,0|2,0,1]=4 186 B8R1.3 C1=C(C=NC(=N1)Cl)Br B113805 [1,0,0,0,0,0|1,1,1]=4 187 B8R1.3 C1=C(C=NC(=N1)Cl)Cl D123559 [1,0,0,0,0,0|1,1,1]=4 188 B8R1.3 C1=C(C=NC(=N1)Cl)F C102638 [1,0,0,0,0,0|1,0,1]=3 189 B8R1.3 C1=C(C=NC(=N1)Cl)I C153606 [1,0,0,0,0,0|1,1,1]=4 190 B8R1.3 C1=C(C=NC(=N1)Cl)N A481967 [1,0,0,0,0,0|2,0,1]=4 191 B8R1.3 C1=C(C=NC(=N1)Cl)O C176622 [1,0,0,0,0,0|2,0,1]=4 192 B8R1.3 C1=C(C=NC(=N1)F)Br B123109 [1,0,0,0,0,0|1,1,1]=4 193 B8R1.3 C1=C(C=NC(=N1)I)Br W131810 [1,0,0,0,0,0|1,1,1]=4 194 B8R1.3 C1=C(C=NC(=N1)N)Br A123409 [1,0,0,0,0,0|1,1,1]=4 195 B8R1.3 C1=C(C=NC(=N1)N)Cl A113872 [1,0,0,0,0,0|1,1,1]=4 196 B8R1.3 C1=C(C=NC(=N1)N)F A181981 [1,0,0,0,0,0|1,0,1]=3 197 B8R1.3 C1=C(C=NC(=N1)N)I A167314 [1,0,0,0,0,0|1,1,1]=4 198 B8R1.3 C1=C(C=NC(=O)N1)Br B120278 [1,0,0,0,0,0|0,1,0]=2 199 B8R1.3 C1=C(C=NC(=O)N1)F W136119 [1,0,0,0,0,0|0,0,0]=1 200 B8R1.3 C1=C(N=CC(=O)N1)Br B115827 [1,0,0,0,0,0|2,1,0]=4 201 B8R1.3 C1=CC(=CC=C1F)Br B107758 [1,0,0,0,0,0|3,0,0]=4 202 B8R1.3 C1=CC(=CC=C1F)Cl C122649 [1,0,0,0,0,0|3,0,0]=4 203 B8R1.3 C1=CC(=CC=C1F)F D113734 [1,0,0,0,0,0|3,0,0]=4 204 B8R1.3 C1=CC(=CC=C1F)I F100907 [1,0,0,0,0,0|3,0,0]=4 205 B8R1.3 C1=CC(=CC=C1F)S F101761 [1,0,0,0,0,0|2,1,0]=4 206 B8R1.3 C1=CC(=CC=C1N)F F103204 [1,0,0,0,0,0|3,0,0]=4 207 B8R1.3 C1=CC(=CC=C1N)F F404104 [1,0,0,0,0,0|3,0,0]=4 208 B8R1.3 C1=CC(=CC=C1N)F F404490 [1,0,0,0,0,0|3,0,0]=4 209 B8R1.3 C1=CC(=CC=C1O)F F107127 [1,0,0,0,0,0|2,0,1]=4 210 B8R1.3 C1=CC(=NC=C1Br)Br D101561 [1,0,0,0,0,0|2,1,0]=4 211 B8R1.3 C1=CC(=NC=C1Br)Cl B123411 [1,0,0,0,0,0|2,1,0]=4 212 B8R1.3 C1=CC(=NC=C1Br)F B110259 [1,0,0,0,0,0|2,1,0]=4 213 B8R1.3 C1=CC(=NC=C1Br)I B120792 [1,0,0,0,0,0|2,1,0]=4 214 B8R1.3 C1=CC(=NC=C1Br)N A101197 [1,0,0,0,0,0|2,1,0]=4 215 B8R1.3 C1=CC(=NC=C1Cl)Br B102594 [1,0,0,0,0,0|2,1,0]=4 216 B8R1.3 C1=CC(=NC=C1Cl)Cl D120567 [1,0,0,0,0,0|2,1,0]=4 217 B8R1.3 C1=CC(=NC=C1Cl)F C110260 [1,0,0,0,0,0|2,1,0]=4 218 B8R1.3 C1=CC(=NC=C1Cl)I C168964 [1,0,0,0,0,0|2,1,0]=4 219 B8R1.3 C1=CC(=NC=C1Cl)N A107183 [1,0,0,0,0,0|2,1,0]=4 220 B8R1.3 C1=CC(=NC=C1F)Br B111195 [1,0,0,0,0,0|2,0,0]=3 221 B8R1.3 C1=CC(=NC=C1F)Cl C102598 [1,0,0,0,0,0|2,0,0]=3 222 B8R1.3 C1=CC(=NC=C1F)F D124342 [1,0,0,0,0,0|2,0,0]=3 223 B8R1.3 C1=CC(=NC=C1F)I F181837 [1,0,0,0,0,0|2,0,0]=3 224 B8R1.3 C1=CC(=NC=C1F)N A101607 [1,0,0,0,0,0|2,0,0]=3 225 B8R1.3 C1=CC(=NC=C1I)Br B122970 [1,0,0,0,0,0|2,1,0]=4 226 B8R1.3 C1=CC(=NC=C1I)Cl C119410 [1,0,0,0,0,0|2,1,0]=4 227 B8R1.3 C1=CC(=NC=C1I)F F119657 [1,0,0,0,0,0|2,1,0]=4 228 B8R1.3 C1=CC(=NC=C1I)I D166168 [1,0,0,0,0,0|2,1,0]=4 229 B8R1.3 C1=CC(=NC=C1I)N A129106 [1,0,0,0,0,0|2,1,0]=4 230 B8R1.3 C1=CC(=NC=C1N)Br A101199 [1,0,0,0,0,0|3,0,0]=4 231 B8R1.3 C1=CC(=NC=C1N)Cl A124240 [1,0,0,0,0,0|3,0,0]=4 232 B8R1.3 C1=CC(=NC=C1N)F A119632 [1,0,0,0,0,0|3,0,0]=4 233 B8R1.3 C1=CC(=NC=C1N)I A588630 [1,0,0,0,0,0|3,0,0]=4 234 B8R1.3 C1=CC(=NC=C1N)N D134973 [1,0,0,0,0,0|3,0,0]=4 235 B8R1.3 C1=CC(=NC=C1N)N D135606 [1,0,0,0,0,0|3,0,0]=4 236 B8R1.3 C1=CC(=NC=C1O)Br B102604 [1,0,0,0,0,0|3,0,0]=4 237 B8R1.3 C1=CC(=NC=C1O)Br B399634 [1,0,0,0,0,0|3,0,0]=4 238 B8R1.3 C1=CC(=NC=C1O)Cl C102603 [1,0,0,0,0,0|3,0,0]=4 239 B8R1.3 C1=CC(=NC=C1O)F F102601 [1,0,0,0,0,0|3,0,0]=4 240 B8R1.3 C1=CC(=NC=C1O)N A185200 [1,0,0,0,0,0|3,0,0]=4 241 B8R1.3 C1=CC(=NN=C1F)Br B587053 [1,0,0,0,0,0|3,0,0]=4 242 B8R1.3 C1=CC(=NNC1=O)Br B193678 [1,0,0,0,0,0|2,1,0]=4 243 B8R1.3 C1=CC(=NNC1=O)Cl C132941 [1,0,0,0,0,0|2,1,0]=4 244 B8R1.3 C1=CC(=O)C=CC1=O B108670 [1,0,0,0,0,0|3,0,0]=4 245 B8R1.3 C1=CC(=O)C=CC1=O B108671 [1,0,0,0,0,0|3,0,0]=4 246 B8R1.3 C1=CC(=O)C=CC1=O B108672 [1,0,0,0,0,0|3,0,0]=4 247 B8R1.3 C1=CC(=O)C=CC1=O Q104677 [1,0,0,0,0,0|3,0,0]=4 248 B8R1.3 C1=CC(=O)NC=C1Br B152104 [1,0,0,0,0,0|1,1,0]=3 249 B8R1.3 C1=CC(=O)NC=C1Cl C136324 [1,0,0,0,0,0|1,1,0]=3 250 B8R1.3 C1=CC(=O)NC=C1F F102599 [1,0,0,0,0,0|1,0,0]=2 251 B8R1.3 C1=CC(=O)NC=C1I W131730 [1,0,0,0,0,0|1,1,0]=3 252 B8R1.3 C1=CC(=O)NC=C1N A120454 [1,0,0,0,0,0|2,0,0]=3 253 B8R1.3 C1=CC(=O)NNC1=O BWY397813 [1,0,0,0,0,0|3,0,0]=4 254 B8R1.3 C1=CC(=O)NNC1=O BWY397816 [1,0,0,0,0,0|3,0,0]=4 255 B8R1.3 C1=CC(=O)NNC1=O M112740 [1,0,0,0,0,0|3,0,0]=4 256 B8R1.3 C1=CC(=O)NNC1=O M114938 [1,0,0,0,0,0|3,0,0]=4 257 B8R1.3 C1=CC(=O)NNC1=O M141506 [1,0,0,0,0,0|3,0,0]=4 258 B8R1.3 CC1=CC=C(C=C1)F F107110 [1,0,0,0,0,0|3,0,0]=4 259 B8R1.3 CC1=CN=C(C=C1)Br B120720 [1,0,0,0,0,0|3,0,0]=4 260 B8R1.3 CC1=CN=C(C=C1)C L111803 [1,0,0,0,0,0|3,0,0]=4 261 B8R1.3 CC1=CN=C(C=C1)Cl C122971 [1,0,0,0,0,0|3,0,0]=4 262 B8R1.3 CC1=CN=C(C=C1)F F120713 [1,0,0,0,0,0|3,0,0]=4 263 B8R1.3 CC1=CN=C(C=C1)N A107505 [1,0,0,0,0,0|3,0,0]=4 264 B8R1.3 CC1=CN=C(N=C1)Cl C153537 [1,0,0,0,0,0|2,0,1]=4 265 B8R1.3 CC1=CNC(=O)C=C1 H107715 [1,0,0,0,0,0|2,0,0]=3 266 B8R1.3 CC1=CNC(=O)C=N1 M191984 [1,0,0,0,0,0|3,0,0]=4 267 B8R1.3 CC1=CNC(=S)C=C1 M405751 [1,0,0,0,0,0|2,1,0]=4 268 B8R1.3 CC1=NC=C(C=C1)Br B123445 [1,0,0,0,0,0|2,1,0]=4 269 B8R1.3 CC1=NC=C(C=C1)Cl C186235 [1,0,0,0,0,0|2,1,0]=4 270 B8R1.3 CC1=NC=C(C=C1)F F489688 [1,0,0,0,0,0|2,0,0]=3 271 B8R1.3 CC1=NC=C(C=C1)N A103049 [1,0,0,0,0,0|3,0,0]=4 272 B8R1.3 CC1=NC=C(C=C1)O H156935 [1,0,0,0,0,0|3,0,0]=4 273 B8R1.3 CC1=NC=C(C=N1)Br B152665 [1,0,0,0,0,0|1,1,1]=4 274 B8R1.3 CC1=NC=C(C=N1)N M176382 [1,0,0,0,0,0|2,0,1]=4 275 B8R1.3 CC1=NC=C(C=N1)O M588838 [1,0,0,0,0,0|2,0,1]=4 276 B8R1.3 CC1=NNC(=O)C=C1 M157846 [1,0,0,0,0,0|3,0,0]=4 277 B8R1.3 CC1=[C-]C=C(C=C1)F F579402 [1,0,0,0,0,0|3,0,0]=4 278 B8R1.4 C1=C(N=CN=C1Cl)N A101736 [1,0,0,0,0,0|3,0,0]=4 279 B8R1.4 C1=C(N=CN=C1N)N D123503 [1,0,0,0,0,0|3,0,0]=4 280 B8R1.4 C1=C(N=CNC1=O)N A138085 [1,0,0,0,0,0|2,0,1]=4 281 B8R1.4 C1=C(NC(=O)C=N1)Cl C170573 [1,0,0,0,0,0|3,0,0]=4 282 B8R1.4 C1=C(NC(=O)N=C1)N C104336 [1,0,0,0,0,0|0,0,0]=1 283 B8R1.4 C1=C(NC(=O)N=C1)N C425633 [1,0,0,0,0,0|0,0,0]=1 284 B8R1.4 C1=C(NC(=S)N=C1)N T169649 [1,0,0,0,0,0|0,1,0]=2 285 B8R1.4 C1=CC(=CC(=C1)Br)N B103950 [1,0,0,0,0,0|3,0,0]=4 286 B8R1.4 C1=CC(=CC(=C1)Cl)N C103948 [1,0,0,0,0,0|3,0,0]=4 287 B8R1.4 C1=CC(=CC(=C1)F)N F107123 [1,0,0,0,0,0|3,0,0]=4 288 B8R1.4 C1=CC(=CC(=C1)I)N I103150 [1,0,0,0,0,0|3,0,0]=4 289 B8R1.4 C1=CC(=CC(=C1)N)N P101105 [1,0,0,0,0,0|3,0,0]=4 290 B8R1.4 C1=CC(=CC(=C1)N)N P111631 [1,0,0,0,0,0|3,0,0]=4 291 B8R1.4 C1=CC(=CC(=C1)N)N P111632 [1,0,0,0,0,0|3,0,0]=4 292 B8R1.4 C1=CC(=CC(=C1)N)N P113284 [1,0,0,0,0,0|3,0,0]=4 293 B8R1.4 C1=CC(=CC(=C1)O)N A108481 [1,0,0,0,0,0|2,0,1]=4 294 B8R1.4 C1=CC(=CC(=C1)O)N A108482 [1,0,0,0,0,0|2,0,1]=4 295 B8R1.4 C1=CC(=CC(=C1)O)N A113896 [1,0,0,0,0,0|2,0,1]=4 296 B8R1.4 C1=CC(=CC(=C1)O)N A301746 [1,0,0,0,0,0|2,0,1]=4 297 B8R1.4 C1=CC(=CC(=C1)S)N A107495 [1,0,0,0,0,0|2,1,0]=4 298 B8R1.4 C1=CC(=NC(=C1)Br)N A119408 [1,0,0,0,0,0|2,0,1]=4 299 B8R1.4 C1=CC(=NC(=C1)Cl)N A101565 [1,0,0,0,0,0|2,0,1]=4 300 B8R1.4 C1=CC(=NC(=C1)F)N F132264 [1,0,0,0,0,0|2,0,1]=4 301 B8R1.4 C1=CC(=NC(=C1)I)N I195545 [1,0,0,0,0,0|2,0,1]=4 302 B8R1.4 C1=CC(=NC(=C1)N)N D106446 [1,0,0,0,0,0|2,0,1]=4 303 B8R1.4 C1=CC(=O)NC(=C1)Br B151966 [1,0,0,0,0,0|2,0,0]=3 304 B8R1.4 C1=CC(=O)NC(=C1)Cl C153927 [1,0,0,0,0,0|2,0,0]=3 305 B8R1.4 C1=CC(=O)NC(=C1)F F184843 [1,0,0,0,0,0|2,0,0]=3 306 B8R1.4 C1=CC(=O)NC(=C1)N A184895 [1,0,0,0,0,0|1,0,0]=2 307 B8R1.4 C1=CC(=O)NC(=C1)N A589594 [1,0,0,0,0,0|1,0,0]=2 308 B8R1.4 C1=CC(=O)NC(=C1)O D165567 [1,0,0,0,0,0|2,0,0]=3 309 B8R1.4 C1=CN=C(C=C1Br)Br D124330 [1,0,0,0,0,0|3,0,0]=4 310 B8R1.4 C1=CN=C(C=C1Br)Cl B102595 [1,0,0,0,0,0|3,0,0]=4 311 B8R1.4 C1=CN=C(C=C1Br)F B120712 [1,0,0,0,0,0|3,0,0]=4 312 B8R1.4 C1=CN=C(C=C1Br)N A123368 [1,0,0,0,0,0|3,0,0]=4 313 B8R1.4 C1=CN=C(C=C1Cl)Br B120784 [1,0,0,0,0,0|3,0,0]=4 314 B8R1.4 C1=CN=C(C=C1Cl)Cl D154414 [1,0,0,0,0,0|3,0,0]=4 315 B8R1.4 C1=CN=C(C=C1Cl)F C183922 [1,0,0,0,0,0|3,0,0]=4 316 B8R1.4 C1=CN=C(C=C1Cl)I C192180 [1,0,0,0,0,0|3,0,0]=4 317 B8R1.4 C1=CN=C(C=C1Cl)N A107902 [1,0,0,0,0,0|3,0,0]=4 318 B8R1.4 C1=CN=C(C=C1F)Br B119636 [1,0,0,0,0,0|3,0,0]=4 319 B8R1.4 C1=CN=C(C=C1F)Cl C119640 [1,0,0,0,0,0|3,0,0]=4 320 B8R1.4 C1=CN=C(C=C1F)F D124339 [1,0,0,0,0,0|3,0,0]=4 321 B8R1.4 C1=CN=C(C=C1F)N F178407 [1,0,0,0,0,0|3,0,0]=4 322 B8R1.4 C1=CN=C(C=C1I)Br B120725 [1,0,0,0,0,0|3,0,0]=4 323 B8R1.4 C1=CN=C(C=C1I)Cl C120719 [1,0,0,0,0,0|3,0,0]=4 324 B8R1.4 C1=CN=C(C=C1I)F F120711 [1,0,0,0,0,0|3,0,0]=4 325 B8R1.4 C1=CN=C(C=C1I)N I176775 [1,0,0,0,0,0|3,0,0]=4 326 B8R1.4 C1=CN=C(C=C1N)Br A103014 [1,0,0,0,0,0|2,0,0]=3 327 B8R1.4 C1=CN=C(C=C1N)Cl A107152 [1,0,0,0,0,0|2,0,0]=3 328 B8R1.4 C1=CN=C(C=C1N)F A137501 [1,0,0,0,0,0|2,0,0]=3 329 B8R1.4 C1=CN=C(N=C1Br)Cl B590540 [1,0,0,0,0,0|2,0,1]=4 330 B8R1.4 C1=CN=C(N=C1Cl)Br B177979 [1,0,0,0,0,0|2,0,1]=4 331 B8R1.4 C1=CN=C(N=C1Cl)Cl D103228 [1,0,0,0,0,0|2,0,1]=4 332 B8R1.4 C1=CN=C(N=C1Cl)N A119322 [1,0,0,0,0,0|2,0,1]=4 333 B8R1.4 C1=CN=C(N=C1F)F D169237 [1,0,0,0,0,0|2,0,1]=4 334 B8R1.4 C1=CN=C(N=C1I)Cl C588981 [1,0,0,0,0,0|2,0,1]=4 335 B8R1.4 C1=CN=C(N=C1N)Cl A123454 [1,0,0,0,0,0|1,0,1]=3 336 B8R1.4 C1=CN=C(N=C1N)N D155135 [1,0,0,0,0,0|1,0,1]=3 337 B8R1.4 C1=CN=C(NC1=O)Cl C193933 [1,0,0,0,0,0|2,0,0]=3 338 B8R1.4 C1=CN=C(NC1=O)N I122417 [1,0,0,0,0,0|2,0,0]=3 339 B8R1.4 C1=CNC(=CC1=O)N A124105 [1,0,0,0,0,0|3,0,0]=4 340 B8R1.4 C1=CNC(=O)C=C1Br B129073 [1,0,0,0,0,0|2,0,1]=4 341 B8R1.4 C1=CNC(=O)C=C1Cl C153941 [1,0,0,0,0,0|2,0,1]=4 342 B8R1.4 C1=CNC(=O)C=C1F F188894 [1,0,0,0,0,0|2,0,1]=4 343 B8R1.4 C1=CNC(=O)C=C1N A176346 [1,0,0,0,0,0|1,0,1]=3 344 B8R1.4 C1=CNC(=O)C=C1O D110324 [1,0,0,0,0,0|2,0,1]=4 345 B8R1.4 C1=CNC(=O)NC1=O U102087 [1,0,0,0,0,0|1,0,1]=3 346 B8R1.4 C1=CNC(=O)NC1=O U102088 [1,0,0,0,0,0|1,0,1]=3 347 B8R1.4 C1=CNC(=O)NC1=O U128370 [1,0,0,0,0,0|1,0,1]=3 348 B8R1.4 C1=CNC(=O)NC1=O U333796 [1,0,0,0,0,0|1,0,1]=3 349 B8R1.4 C1=CNC(=O)NC1=O U425336 [1,0,0,0,0,0|1,0,1]=3 350 B8R1.4 C1=CNC(=S)NC1=O T106704 [1,0,0,0,0,0|1,1,1]=4 351 B8R1.4 C1=CNC(=S)NC1=O T106705 [1,0,0,0,0,0|1,1,1]=4 352 B8R1.4 C1=CNC(=S)NC1=S D101888 [1,0,0,0,0,0|1,1,1]=4 353 B8R1.4 C1=NC(=NC(=N1)N)N D155489 [1,0,0,0,0,0|2,0,1]=4 354 B8R1.4 C1=NC(=O)NC(=N1)N A101376 [1,0,0,0,0,0|1,0,0]=2 355 B8R1.4 C1=NC(=O)NC(=O)N1 T304463 [1,0,0,0,0,0|2,0,0]=3 356 B8R1.4 C1=NNC(=O)NC1=O A124269 [1,0,0,0,0,0|2,0,1]=4 357 B8R1.4 CC1=CC(=CC=C1)N M158301 [1,0,0,0,0,0|3,0,0]=4 358 B8R1.4 CC1=CC(=CC=C1)N T110548 [1,0,0,0,0,0|3,0,0]=4 359 B8R1.4 CC1=CC(=CC=C1)N T110549 [1,0,0,0,0,0|3,0,0]=4 360 B8R1.4 CC1=CC(=CC=C1)N T110550 [1,0,0,0,0,0|3,0,0]=4 361 B8R1.4 CC1=CC(=NC=C1)Br B115781 [1,0,0,0,0,0|3,0,0]=4 362 B8R1.4 CC1=CC(=NC=C1)C L109206 [1,0,0,0,0,0|3,0,0]=4 363 B8R1.4 CC1=CC(=NC=C1)Cl C119971 [1,0,0,0,0,0|3,0,0]=4 364 B8R1.4 CC1=CC(=NC=C1)F F138875 [1,0,0,0,0,0|3,0,0]=4 365 B8R1.4 CC1=CC(=NC=C1)N A107213 [1,0,0,0,0,0|3,0,0]=4 366 B8R1.4 CC1=CC(=NC=C1)N A107214 [1,0,0,0,0,0|3,0,0]=4 367 B8R1.4 CC1=CC(=O)NC=C1 H115748 [1,0,0,0,0,0|2,0,1]=4 368 B8R1.4 CC1=CC=CC(=O)N1 H107721 [1,0,0,0,0,0|2,0,0]=3 369 B8R1.4 CC1=CC=CC(=S)N1 M168093 [1,0,0,0,0,0|2,1,0]=4 370 B8R1.4 CC1=CC=NC(=O)N1 H138956 [1,0,0,0,0,0|1,0,0]=2 371 B8R1.4 CC1=CC=NC(=S)N1 M139190 [1,0,0,0,0,0|1,1,0]=3 372 B8R1.4 CC1=CN=CC(=O)N1 H111406 [1,0,0,0,0,0|3,0,0]=4 373 B8R1.4 CC1=NC(=CC=C1)N A107178 [1,0,0,0,0,0|2,0,1]=4 374 B8R1.4 CC1=NC(=NC=C1)Br B123490 [1,0,0,0,0,0|2,0,1]=4 375 B8R1.4 CC1=NC(=NC=C1)Cl C120475 [1,0,0,0,0,0|2,0,1]=4 376 B8R1.4 CC1=NC(=NC=C1)N A115152 [1,0,0,0,0,0|2,0,1]=4 377 B8R1.4 CC1=NC=CC(=C1)Br B120727 [1,0,0,0,0,0|3,0,0]=4 378 B8R1.4 CC1=NC=CC(=C1)Br B591103 [1,0,0,0,0,0|3,0,0]=4 379 B8R1.4 CC1=NC=CC(=C1)Cl C133675 [1,0,0,0,0,0|3,0,0]=4 380 B8R1.4 CC1=NC=CC(=C1)N A103053 [1,0,0,0,0,0|2,0,0]=3 381 B8R1.4 CC1=NC=CC(=N1)Cl C153539 [1,0,0,0,0,0|2,0,1]=4 382 B8R1.4 CC1=NC=CC(=N1)N M194871 [1,0,0,0,0,0|1,0,1]=3 383 B8R1.4 CC1=NC=CC(=O)N1 M191883 [1,0,0,0,0,0|2,0,0]=3 384 B8R1.4 O=C1NC(=S)NC=C1 T409049 [1,0,0,0,0,0|1,1,1]=4 385 B8R1.5 C1=C(C(=CN=N1)Br)N B589482 [1,0,0,0,0,0|2,1,0]=4 386 B8R1.5 C1=C(C(=NC=N1)Cl)Cl D194423 [1,0,0,0,0,0|1,1,1]=4 387 B8R1.5 C1=C(C(=NC=N1)Cl)N A151271 [1,0,0,0,0,0|2,0,1]=4 388 B8R1.5 C1=C(C(=NC=N1)N)N D138191 [1,0,0,0,0,0|1,0,1]=3 389 B8R1.5 C1=C(C(=O)NC=N1)Br B175462 [1,0,0,0,0,0|1,1,0]=3 390 B8R1.5 C1=CC(=C(N=C1)Br)F B119634 [1,0,0,0,0,0|2,0,1]=4 391 B8R1.5 C1=CC(=C(N=C1)Cl)F C102597 [1,0,0,0,0,0|2,0,1]=4 392 B8R1.5 C1=CC(=C(N=C1)F)F D124348 [1,0,0,0,0,0|2,0,1]=4 393 B8R1.5 C1=CC(=C(N=C1)F)N A119619 [1,0,0,0,0,0|3,0,0]=4 394 B8R1.5 C1=CC(=C(N=C1)I)F F131983 [1,0,0,0,0,0|2,0,1]=4 395 B8R1.5 C1=CC(=C(N=C1)N)Br A167068 [1,0,0,0,0,0|1,1,1]=4 396 B8R1.5 C1=CC(=C(N=C1)N)Cl A133692 [1,0,0,0,0,0|1,1,1]=4 397 B8R1.5 C1=CC(=C(N=C1)N)F W133179 [1,0,0,0,0,0|1,0,1]=3 398 B8R1.5 C1=CC(=C(N=C1)N)I A123901 [1,0,0,0,0,0|1,1,1]=4 399 B8R1.5 C1=CC(=C(N=C1)N)N D103174 [1,0,0,0,0,0|2,0,1]=4 400 B8R1.5 C1=CC(=C(N=C1)N)O A101241 [1,0,0,0,0,0|2,0,1]=4 401 B8R1.5 C1=CC(=C(N=C1)N)O A493500 [1,0,0,0,0,0|2,0,1]=4 402 B8R1.5 C1=CC=C(C(=C1)F)Br B113794 [1,0,0,0,0,0|3,0,0]=4 403 B8R1.5 C1=CC=C(C(=C1)F)Cl C120578 [1,0,0,0,0,0|3,0,0]=4 404 B8R1.5 C1=CC=C(C(=C1)F)Cl C128181 [1,0,0,0,0,0|3,0,0]=4 405 B8R1.5 C1=CC=C(C(=C1)F)F D155287 [1,0,0,0,0,0|3,0,0]=4 406 B8R1.5 C1=CC=C(C(=C1)F)I F103134 [1,0,0,0,0,0|3,0,0]=4 407 B8R1.5 C1=CC=C(C(=C1)F)S F101759 [1,0,0,0,0,0|3,0,0]=4 408 B8R1.5 C1=CC=C(C(=C1)N)Br B108449 [1,0,0,0,0,0|2,1,0]=4 409 B8R1.5 C1=CC=C(C(=C1)N)Br B405677 [1,0,0,0,0,0|2,1,0]=4 410 B8R1.5 C1=CC=C(C(=C1)N)Cl C103931 [1,0,0,0,0,0|2,1,0]=4 411 B8R1.5 C1=CC=C(C(=C1)N)Cl C103932 [1,0,0,0,0,0|2,1,0]=4 412 B8R1.5 C1=CC=C(C(=C1)N)Cl C153888 [1,0,0,0,0,0|2,1,0]=4 413 B8R1.5 C1=CC=C(C(=C1)N)F F107841 [1,0,0,0,0,0|2,0,0]=3 414 B8R1.5 C1=CC=C(C(=C1)N)I I100873 [1,0,0,0,0,0|2,1,0]=4 415 B8R1.5 C1=CC=C(C(=C1)N)N P100830 [1,0,0,0,0,0|3,0,0]=4 416 B8R1.5 C1=CC=C(C(=C1)N)N P103811 [1,0,0,0,0,0|3,0,0]=4 417 B8R1.5 C1=CC=C(C(=C1)N)N P103813 [1,0,0,0,0,0|3,0,0]=4 418 B8R1.5 C1=CC=C(C(=C1)N)N P107882 [1,0,0,0,0,0|3,0,0]=4 419 B8R1.5 C1=CC=C(C(=C1)N)O A104087 [1,0,0,0,0,0|3,0,0]=4 420 B8R1.5 C1=CC=C(C(=C1)N)O A104088 [1,0,0,0,0,0|3,0,0]=4 421 B8R1.5 C1=CC=C(C(=C1)N)O A104089 [1,0,0,0,0,0|3,0,0]=4 422 B8R1.5 C1=CC=C(C(=C1)N)O A151616 [1,0,0,0,0,0|3,0,0]=4 423 B8R1.5 C1=CC=C(C(=C1)N)S A107172 [1,0,0,0,0,0|3,0,0]=4 424 B8R1.5 C1=CC=C(C(=C1)N)S A477048 [1,0,0,0,0,0|3,0,0]=4 425 B8R1.5 C1=CC=C(C(=C1)O)F F123546 [1,0,0,0,0,0|3,0,0]=4 426 B8R1.5 C1=CC=C(C(=C1)O)F F123547 [1,0,0,0,0,0|3,0,0]=4 427 B8R1.5 C1=CN=CC(=C1Br)Br D154412 [1,0,0,0,0,0|2,1,0]=4 428 B8R1.5 C1=CN=CC(=C1Br)Cl B194810 [1,0,0,0,0,0|2,1,0]=4 429 B8R1.5 C1=CN=CC(=C1Br)O B181861 [1,0,0,0,0,0|3,0,0]=4 430 B8R1.5 C1=CN=CC(=C1Cl)Br B176292 [1,0,0,0,0,0|2,1,0]=4 431 B8R1.5 C1=CN=CC(=C1Cl)Cl D193939 [1,0,0,0,0,0|2,1,0]=4 432 B8R1.5 C1=CN=CC(=C1Cl)F C119649 [1,0,0,0,0,0|2,0,0]=3 433 B8R1.5 C1=CN=CC(=C1Cl)I C139399 [1,0,0,0,0,0|2,1,0]=4 434 B8R1.5 C1=CN=CC(=C1Cl)N A124742 [1,0,0,0,0,0|3,0,0]=4 435 B8R1.5 C1=CN=CC(=C1Cl)O C128912 [1,0,0,0,0,0|3,0,0]=4 436 B8R1.5 C1=CN=CC(=C1I)Br B590585 [1,0,0,0,0,0|2,1,0]=4 437 B8R1.5 C1=CN=CC(=C1I)Cl C120555 [1,0,0,0,0,0|2,1,0]=4 438 B8R1.5 C1=CN=CC(=C1I)F F588214 [1,0,0,0,0,0|2,0,0]=3 439 B8R1.5 C1=CN=CC(=C1I)N A123932 [1,0,0,0,0,0|3,0,0]=4 440 B8R1.5 C1=CN=CC(=C1N)Br A120721 [1,0,0,0,0,0|1,1,0]=3 441 B8R1.5 C1=CN=CC(=C1N)Cl A132817 [1,0,0,0,0,0|1,1,0]=3 442 B8R1.5 C1=CN=CC(=C1N)F A119629 [1,0,0,0,0,0|1,0,0]=2 443 B8R1.5 C1=CN=CC(=C1N)I I107963 [1,0,0,0,0,0|1,1,0]=3 444 B8R1.5 C1=CN=CC(=C1N)N D154393 [1,0,0,0,0,0|2,0,0]=3 445 B8R1.5 C1=CN=CC(=C1N)N D424687 [1,0,0,0,0,0|2,0,0]=3 446 B8R1.5 C1=CNC(=O)C(=C1)Br B102610 [1,0,0,0,0,0|2,1,0]=4 447 B8R1.5 C1=CNC(=O)C(=C1)Cl C102609 [1,0,0,0,0,0|2,1,0]=4 448 B8R1.5 C1=CNC(=O)C(=C1)F F102607 [1,0,0,0,0,0|2,0,0]=3 449 B8R1.5 C1=CNC(=O)C(=C1)I I586377 [1,0,0,0,0,0|2,1,0]=4 450 B8R1.5 C1=CNC(=O)C(=C1)N A151666 [1,0,0,0,0,0|3,0,0]=4 451 B8R1.5 C1=CNC(=O)C(=C1)O D119960 [1,0,0,0,0,0|3,0,0]=4 452 B8R1.5 CC1=C(C=CC=N1)F F191212 [1,0,0,0,0,0|2,0,1]=4 453 B8R1.5 CC1=C(C=CN=C1)Cl C138427 [1,0,0,0,0,0|3,0,0]=4 454 B8R1.5 CC1=C(C=CN=C1)N M119392 [1,0,0,0,0,0|2,0,0]=3 455 B8R1.5 CC1=C(C=NC=C1)Br B107960 [1,0,0,0,0,0|2,1,0]=4 456 B8R1.5 CC1=C(C=NC=C1)Cl W134002 [1,0,0,0,0,0|2,1,0]=4 457 B8R1.5 CC1=C(C=NC=C1)F F135625 [1,0,0,0,0,0|2,0,0]=3 458 B8R1.5 CC1=C(C=NC=C1)I I588962 [1,0,0,0,0,0|2,1,0]=4 459 B8R1.5 CC1=C(C=NC=C1)N A122386 [1,0,0,0,0,0|3,0,0]=4 460 B8R1.5 CC1=C(C=NC=C1)O H179446 [1,0,0,0,0,0|3,0,0]=4 461 B8R1.5 CC1=C(N=CC=C1)N A107212 [1,0,0,0,0,0|2,0,1]=4 462 B8R1.5 CC1=C(N=CC=C1)N A140869 [1,0,0,0,0,0|2,0,1]=4 463 B8R1.5 CC1=CC=CC=C1F F123653 [1,0,0,0,0,0|3,0,0]=4 464 B8R1.5 CC1=CC=CC=C1N O333989 [1,0,0,0,0,0|3,0,0]=4 465 B8R1.5 CC1=CC=CC=C1N T103926 [1,0,0,0,0,0|3,0,0]=4 466 B8R1.5 CC1=CC=CC=C1N T103927 [1,0,0,0,0,0|3,0,0]=4 467 B8R1.5 CC1=CC=CC=C1N T103928 [1,0,0,0,0,0|3,0,0]=4 468 B8R1.5 CC1=CC=CNC1=O H124768 [1,0,0,0,0,0|3,0,0]=4 469 B8R1.5 CC1=CC=CNC1=S M404770 [1,0,0,0,0,0|3,0,0]=4 470 B8R1.5 CC1=NC=NC=C1Br B181501 [1,0,0,0,0,0|1,1,1]=4 471 B8R1.5 [CH2-]C1=CC=CC=C1F F169483 [1,0,0,0,0,0|3,0,0]=4 472 B10R1.22 C1(=C(N=C(N=C1N)N)N)N T123279 [0,1,0,0,0,0|2,0,1]=4 473 B10R1.22 C1(=C(N=C(N=C1N)N)N)N T579881 [0,1,0,0,0,0|2,0,1]=4 474 B10R1.22 C1(=C(N=C(NC1=O)N)N)N T161678 [0,1,0,0,0,0|3,0,0]=4 475 B10R1.22 C1(=C(N=C(NC1=O)N)O)N D133500 [0,1,0,0,0,0|3,0,0]=4 476 B10R1.22 C1(=C(NC(=O)NC1=O)N)N D135074 [0,1,0,0,0,0|1,0,1]=3 477 B10R1.22 C1(=C(NC(=S)NC1=O)N)N D131835 [0,1,0,0,0,0|1,1,1]=4 478 B10R1.22 C1(=O)C(=O)NC(=O)NC1=O A109024 [0,1,0,0,0,0|2,0,1]=4 479 B10R1.22 C1(=O)C(=O)NC(=O)NC1=O A113725 [0,1,0,0,0,0|2,0,1]=4 480 B10R1.22 C1=C(C=C(C(=C1N)F)F)F T122504 [0,1,0,0,0,0|3,0,0]=4 481 B10R1.22 CC1=C(C(=NC(=N1)C)N)Cl A151267 [0,1,0,0,0,0|1,1,1]=4 482 B10R1.22 CC1=C(C(=NC(=N1)Cl)N)N C194310 [0,1,0,0,0,0|2,0,1]=4 483 B10R1.22 CC1=C(C(=O)NC(=N1)N)Br A469475 [0,1,0,0,0,0|2,1,0]=4 484 B10R1.22 CC1=C(N=C(NC1=O)N)C A170132 [0,1,0,0,0,0|3,0,0]=4 485 B10R1.22 CC1=C(NC(=O)NC1=O)C D155147 [0,1,0,0,0,0|2,0,1]=4 486 B10R1.25 C#CC1=CNC(=O)NC1=O E404403 [0,1,0,0,0,0|2,0,1]=4 487 B10R1.25 C1=C(C(=CN=C1Cl)C=O)N A586085 [0,1,0,0,0,0|3,0,0]=4 488 B10R1.25 C1=C(C(=NC(=N1)Cl)N)C#N A123179 [0,1,0,0,0,0|2,0,1]=4 489 B10R1.25 C1=C(C(=NC(=N1)N)N)C#N D181923 [0,1,0,0,0,0|2,0,1]=4 490 B10R1.25 C1=C(C(=O)NC(=O)N1)C#N C184561 [0,1,0,0,0,0|2,0,1]=4 491 B10R1.25 C1=C(C(=O)NC(=O)N1)C=O F132359 [0,1,0,0,0,0|2,0,1]=4 492 B10R1.25 C1=C(C(=O)NC(=O)N1)CO H170384 [0,1,0,0,0,0|2,0,1]=4 493 B10R1.25 C1=NC(=O)NC(=C1CO)N H302221 [0,1,0,0,0,0|1,0,0]=2 494 B10R1.25 CC1=NC=C(C(=N1)N)C#N A137005 [0,1,0,0,0,0|2,0,1]=4 495 B10R1.25 CC1=NC=C(C(=N1)N)CN A188569 [0,1,0,0,0,0|2,0,1]=4 496 B10R1.25 CC1=NC=C(C(=N1)N)CO A151329 [0,1,0,0,0,0|2,0,1]=4 497 B10R1.25 CCC1=CNC(=O)NC1=O E135137 [0,1,0,0,0,0|2,0,1]=4 498 B10R1.25 COC1=CNC(=O)NC1=O D155137 [0,1,0,0,0,0|2,0,1]=4 499 B10R1.30 C1=CC(=C(C=C1Br)CN)F B168372 [0,1,0,0,0,0|3,0,0]=4 500 B10R1.30 C1=CC(=C(C=C1Cl)CN)F C153582 [0,1,0,0,0,0|3,0,0]=4 501 B10R1.30 C1=CC(=C(C=C1F)CN)F D136497 [0,1,0,0,0,0|3,0,0]=4 502 B10R1.30 C1=CC(=C(C=C1F)NN)F D102570 [0,1,0,0,0,0|3,0,0]=4 503 B10R1.30 COC1=NC(=NC=C1F)Cl C479013 [0,1,0,0,0,0|2,0,1]=4 504 B10R1.30 CSC1=NC(=NC=C1F)Cl C177881 [0,1,0,0,0,0|2,0,1]=4 505 B10R1.118 C1=C(C(=CC(=C1Br)F)F)N B120577 [0,1,0,0,0,0|3,0,0]=4 506 B10R1.118 C1=C(C(=CC(=C1Cl)Br)F)N B419058 [0,1,0,0,0,0|3,0,0]=4 507 B10R1.118 C1=C(C(=CC(=C1F)Br)F)N B152616 [0,1,0,0,0,0|3,0,0]=4 508 B10R1.118 C1=C(C(=CC(=C1F)F)F)N T161787 [0,1,0,0,0,0|3,0,0]=4 509 B10R1.118 C1=C(C(=CC(=C1F)I)F)N D191144 [0,1,0,0,0,0|3,0,0]=4 510 B10R1.118 C1=C(C(=CC(=C1O)F)F)N A166012 [0,1,0,0,0,0|2,0,1]=4 511 B10R1.118 C1=C(C(=NC(=C1F)N)N)F D140143 [0,1,0,0,0,0|2,0,1]=4 512 B10R1.118 C1=C(C(=O)NC(=C1F)F)F T337621 [0,1,0,0,0,0|2,0,0]=3 513 B10R1.118 CC1=CC(=C(C=C1Br)F)N B184453 [0,1,0,0,0,0|3,0,0]=4 514 B10R1.118 CC1=CC(=C(C=C1Br)N)F B188528 [0,1,0,0,0,0|3,0,0]=4 515 B10R1.118 CC1=CC(=C(C=C1Cl)F)N C586478 [0,1,0,0,0,0|3,0,0]=4 516 B10R1.119 C1=C(C(=C(C(=N1)Cl)F)N)I C587729 [0,1,0,0,0,0|2,1,0]=4 517 B10R1.119 C1=CC(=C(C(=C1F)N)F)Br B586856 [0,1,0,0,0,0|3,0,0]=4 518 B10R1.119 C1=CC(=C(C(=C1F)N)F)F T122505 [0,1,0,0,0,0|3,0,0]=4 519 B10R1.119 CN1C(=O)C(=CN=C1Cl)I C588029 [0,1,0,0,0,0|2,1,0]=4 520 B10R1.176 C1=CC(=C(C=C1C#N)N)F A124017 [0,1,0,0,0,0|3,0,0]=4 521 B10R1.176 C1=CC(=C(C=C1C=O)Br)F B120677 [0,1,0,0,0,0|3,0,0]=4 522 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F C120608 [0,1,0,0,0,0|3,0,0]=4 523 B10R1.176 C1=CC(=C(C=C1C=O)F)F D120660 [0,1,0,0,0,0|3,0,0]=4 524 B10R1.176 CC1=C(C=CC(=C1)C=O)F F120646 [0,1,0,0,0,0|3,0,0]=4 525 B10R1.176 COC1=NC=C(C(=N1)N)F A132706 [0,1,0,0,0,0|0,0,2]=3 526 B10R1.176 COC1=NC=C(C(=O)N1)F F132478 [0,1,0,0,0,0|1,0,1]=3 527 B8R1.18 C1(=C(N=C(N1)Br)Br)Br T102766 [0,0,0,0,1,0|2,1,0]=4 528 B8R1.18 C1(=C(N=C(N1)I)I)I T405021 [0,0,0,0,1,0|2,1,0]=4 529 B8R1.18 C1(=O)C(=O)NC(=O)N1 P112741 [0,0,0,0,1,0|2,0,1]=4 530 B8R1.18 C1=C(C(=O)OC1=O)Br B194099 [0,0,0,0,1,0|2,1,0]=4 531 B8R1.18 CC1=C(N=C(N1)Br)Br D182859 [0,0,0,0,1,0|2,1,0]=4 532 B8R1.18 CC1=CC(=O)OC1=O C106959 [0,0,0,0,1,0|3,0,0]=4 533 B8R1.50 CN1C(=C(C=N1)Br)N A132098 [0,0,0,0,1,0|2,1,0]=4 534 B7R0.6 C(=CC(=O)N)C(=O)N F156723 [1,0,1,0,0,0|2,0,0]=4 535 B7R0.6 C(=CC(=O)N)C(=O)N M278875 [1,0,1,0,0,0|2,0,0]=4 536 B7R1.3 C1=C(C=NC=N1)Br B107005 [2,0,0,0,0,0|0,1,1]=4 537 B7R1.3 C1=C(C=NC=N1)N A122551 [2,0,0,0,0,0|1,0,1]=4 538 B7R1.3 C1=C(C=NC=N1)O P175938 [2,0,0,0,0,0|1,0,1]=4 539 B7R1.3 C1=CC(=CN=C1)Br B106977 [2,0,0,0,0,0|1,1,0]=4 540 B7R1.3 C1=CC(=CN=C1)Cl C106490 [2,0,0,0,0,0|1,1,0]=4 541 B7R1.3 C1=CC(=CN=C1)F F119663 [2,0,0,0,0,0|1,0,0]=3 542 B7R1.3 C1=CC(=CN=C1)I I101566 [2,0,0,0,0,0|1,1,0]=4 543 B7R1.3 C1=CC(=CN=C1)N A107134 [2,0,0,0,0,0|2,0,0]=4 544 B7R1.3 C1=CC(=CN=C1)N A107135 [2,0,0,0,0,0|2,0,0]=4 545 B7R1.3 C1=CC(=CN=C1)O H106342 [2,0,0,0,0,0|2,0,0]=4 546 B7R1.3 C1=CC(=CN=C1)O H434905 [2,0,0,0,0,0|2,0,0]=4 547 B7R1.3 C1=CC(=O)NC=C1 H108693 [2,0,0,0,0,0|1,0,0]=3 548 B7R1.3 C1=CC(=O)NC=C1 H421556 [2,0,0,0,0,0|1,0,0]=3 549 B7R1.3 C1=CC(=O)NN=C1 P119352 [2,0,0,0,0,0|2,0,0]=4 550 B7R1.3 C1=CC(=O)OC=C1 A136345 [2,0,0,0,0,0|2,0,0]=4 551 B7R1.3 C1=CC(=S)NC=C1 M101871 [2,0,0,0,0,0|1,1,0]=4 552 B7R1.3 C1=CC=C(C=C1)F F107096 [2,0,0,0,0,0|2,0,0]=4 553 B7R1.3 C1=CC=C(C=C1)F F107098 [2,0,0,0,0,0|2,0,0]=4 554 B7R1.3 C1=CC=C(C=C1)F F107099 [2,0,0,0,0,0|2,0,0]=4 555 B7R1.3 C1=CC=C(C=C1)F F107100 [2,0,0,0,0,0|2,0,0]=4 556 B7R1.3 C1=CC=C(C=C1)F F128178 [2,0,0,0,0,0|2,0,0]=4 557 B7R1.3 C1=CC=C(C=C1)F F128179 [2,0,0,0,0,0|2,0,0]=4 558 B7R1.3 C1=CC=C(C=C1)N A108448 [2,0,0,0,0,0|2,0,0]=4 559 B7R1.3 C1=CC=C(C=C1)N A111640 [2,0,0,0,0,0|2,0,0]=4 560 B7R1.3 C1=CC=C(C=C1)N A112119 [2,0,0,0,0,0|2,0,0]=4 561 B7R1.3 C1=CC=C(C=C1)N A112120 [2,0,0,0,0,0|2,0,0]=4 562 B7R1.3 C1=CC=C(C=C1)N A112122 [2,0,0,0,0,0|2,0,0]=4 563 B7R1.3 C1=CC=C(C=C1)N A112123 [2,0,0,0,0,0|2,0,0]=4 564 B7R1.3 C1=CC=C(C=C1)N A112124 [2,0,0,0,0,0|2,0,0]=4 565 B7R1.3 C1=CC=C(C=C1)N A112125 [2,0,0,0,0,0|2,0,0]=4 566 B7R1.3 C1=CC=C(C=C1)N A117353 [2,0,0,0,0,0|2,0,0]=4 567 B7R1.3 C1=CC=C(C=C1)N A117354 [2,0,0,0,0,0|2,0,0]=4 568 B7R1.3 C1=CC=C(C=C1)N A117355 [2,0,0,0,0,0|2,0,0]=4 569 B7R1.3 C1=CC=C(C=C1)N A121681 [2,0,0,0,0,0|2,0,0]=4 570 B7R1.3 C1=CC=C(C=C1)N A133014 [2,0,0,0,0,0|2,0,0]=4 571 B7R1.3 C1=CC=C(C=C1)N A135834 [2,0,0,0,0,0|2,0,0]=4 572 B7R1.3 C1=CC=C(C=C1)N A151130 [2,0,0,0,0,0|2,0,0]=4 573 B7R1.3 C1=CC=C(C=C1)N A151150 [2,0,0,0,0,0|2,0,0]=4 574 B7R1.3 C1=CC=C(C=C1)N A283803 [2,0,0,0,0,0|2,0,0]=4 575 B7R1.3 C1=CC=C(C=C1)N A344406 [2,0,0,0,0,0|2,0,0]=4 576 B7R1.3 C1=CC=C(C=C1)N P492994 [2,0,0,0,0,0|2,0,0]=4 577 B7R1.3 C1=CC=C(C=C1)N P492999 [2,0,0,0,0,0|2,0,0]=4 578 B7R1.3 C1=CC=NC(=C1)Br B109679 [2,0,0,0,0,0|2,0,0]=4 579 B7R1.3 C1=CC=NC(=C1)Cl C104870 [2,0,0,0,0,0|2,0,0]=4 580 B7R1.3 C1=CC=NC(=C1)F F120342 [2,0,0,0,0,0|2,0,0]=4 581 B7R1.3 C1=CC=NC(=C1)I I111393 [2,0,0,0,0,0|2,0,0]=4 582 B7R1.3 C1=CC=NC(=C1)N A105221 [2,0,0,0,0,0|1,0,1]=4 583 B7R1.3 C1=CC=NC(=C1)N A105222 [2,0,0,0,0,0|1,0,1]=4 584 B7R1.3 C1=CN=C(C=N1)F F119252 [2,0,0,0,0,0|2,0,0]=4 585 B7R1.3 C1=CN=C(N=C1)Br B120301 [2,0,0,0,0,0|1,0,1]=4 586 B7R1.3 C1=CN=C(N=C1)Cl C132282 [2,0,0,0,0,0|1,0,1]=4 587 B7R1.3 C1=CN=C(N=C1)I I404595 [2,0,0,0,0,0|1,0,1]=4 588 B7R1.3 C1=CN=C(N=C1)N A109732 [2,0,0,0,0,0|1,0,1]=4 589 B7R1.3 C1=CN=CC(=O)N1 H134514 [2,0,0,0,0,0|2,0,0]=4 590 B7R1.3 C1=CN=CC(=O)N1 P586771 [2,0,0,0,0,0|2,0,0]=4 591 B7R1.3 C1=CN=CC=C1Br B102732 [2,0,0,0,0,0|2,0,0]=4 592 B7R1.3 C1=CN=CC=C1Br B152112 [2,0,0,0,0,0|2,0,0]=4 593 B7R1.3 C1=CN=CC=C1Br B302216 [2,0,0,0,0,0|2,0,0]=4 594 B7R1.3 C1=CN=CC=C1Cl C118400 [2,0,0,0,0,0|2,0,0]=4 595 B7R1.3 C1=CN=CC=C1Cl C119940 [2,0,0,0,0,0|2,0,0]=4 596 B7R1.3 C1=CN=CC=C1I I100877 [2,0,0,0,0,0|2,0,0]=4 597 B7R1.3 C1=CN=CC=C1N A113920 [2,0,0,0,0,0|1,0,0]=3 598 B7R1.3 C1=CN=CN=C1N A151327 [2,0,0,0,0,0|0,0,1]=3 599 B7R1.3 C1=CN=CNC1=O H135948 [2,0,0,0,0,0|1,0,0]=3 600 B7R1.3 C1=CN=CNC1=O P589344 [2,0,0,0,0,0|1,0,0]=3 601 B7R1.3 C1=CN=CNC1=S P587278 [2,0,0,0,0,0|1,0,0]=3 602 B7R1.3 C1=CN=NC=C1N P132827 [2,0,0,0,0,0|2,0,0]=4 603 B7R1.3 C1=CNC(=O)N=C1 H111812 [2,0,0,0,0,0|0,0,0]=2 604 B7R1.3 C1=CNC(=O)N=C1 P303873 [2,0,0,0,0,0|0,0,0]=2 605 B7R1.3 C1=CNC(=S)N=C1 M158441 [2,0,0,0,0,0|0,1,0]=3 606 B7R1.3 CC1=CC=CC=N1 M108694 [2,0,0,0,0,0|2,0,0]=4 607 B7R1.3 CC1=CC=CC=N1 M108695 [2,0,0,0,0,0|2,0,0]=4 608 B7R1.3 CC1=CC=CC=N1 P122349 [2,0,0,0,0,0|2,0,0]=4 609 B7R1.3 CC1=CC=NC=C1 P105226 [2,0,0,0,0,0|2,0,0]=4 610 B7R1.3 CC1=CN=CC=C1 P109209 [2,0,0,0,0,0|2,0,0]=4 611 B7R1.3 CC1=CN=CC=C1 P109210 [2,0,0,0,0,0|2,0,0]=4 612 B7R1.3 CC1=CN=CN=C1 M132067 [2,0,0,0,0,0|1,0,1]=4 613 B7R1.3 CC1=NC=NC=C1 M134934 [2,0,0,0,0,0|1,0,1]=4 614 B7R1.3 Cc1ccccn1 M141144 [2,0,0,0,0,0|2,0,0]=4 615 B9R1.1 C1=CC(=CC=C1C=O)F F109178 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.1 C1=CC(=NC=C1Br)C=O B119147 [1,1,0,0,0,0|1,1,0]=4 617 B9R1.1 C1=CC(=NC=C1Cl)C=O C154077 [1,1,0,0,0,0|1,1,0]=4 618 B9R1.1 C1=CC(=NC=C1F)C#N C119652 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.1 C1=CC(=NC=C1F)CN A589490 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.1 C1=CC(=NC=C1F)CO F177498 [1,1,0,0,0,0|1,0,1]=4 621 B9R1.1 C1=CC(=NC=C1O)C=O H192663 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.1 C1=CC(=O)NC=C1C=O H179130 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.1 CC1=CN=C(C=C1)C=O M170606 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.1 COC1=NC=C(C=C1)F F120714 [1,1,0,0,0,0|1,0,1]=4 625 B9R1.1 CSC1=NC=C(C=N1)F F338628 [1,1,0,0,0,0|0,1,1]=4 626 B9R1.2 C1=CN=C(C=C1Cl)C=O C176987 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.2 CC1=CC(=NC=C1)C=O M124675 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.2 CNC1=CC(=NC=C1)F F587425 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.2 COC1=NC=CC(=C1)N M119976 [1,1,0,0,0,0|1,0,1]=4 630 B9R1.2 COC1=NC=CC(=N1)N M176143 [1,1,0,0,0,0|0,0,2]=4 631 B9R1.2 CSC1=NC=CC(=N1)N W135362 [1,1,0,0,0,0|0,1,1]=4 632 B9R1.2 CSC1=NC=CC(=O)N1 M139019 [1,1,0,0,0,0|1,1,0]=4 633 B9R1.3 C1=CN=C(C(=C1N)Br)Cl A120783 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.3 C1=CN=C(C(=C1N)I)Cl C195767 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.3 C1=CN=C(C(=C1N)N)Cl W134145 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.3 CC1=C(C=CN=C1Cl)N C590194 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.34 C1(=NC(=NC(=O)N1)N)N A151174 [1,1,0,0,0,0|1,0,0]=3 638 B9R1.34 C1(=NC(=O)NC(=O)N1)N A134713 [1,1,0,0,0,0|1,0,1]=4 639 B9R1.34 C1=C(C=C(N=C1Cl)Cl)N A113924 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.34 C1=C(N=C(N=C1Cl)Cl)N A151268 [1,1,0,0,0,0|1,0,1]=4 641 B9R1.34 C1=C(N=C(N=C1Cl)N)N D108045 [1,1,0,0,0,0|1,0,1]=4 642 B9R1.34 C1=C(N=C(N=C1N)N)N T123280 [1,1,0,0,0,0|1,0,1]=4 643 B9R1.34 C1=C(N=C(NC1=O)N)Cl A151266 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.34 C1=C(N=C(NC1=O)N)N D155148 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.34 C1=C(N=C(NC1=O)N)N D189290 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.34 C1=C(N=C(NC1=O)N)O A123505 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.34 C1=C(NC(=O)NC1=O)Cl C122459 [1,1,0,0,0,0|1,0,1]=4 648 B9R1.34 C1=C(NC(=O)NC1=O)N A107382 [1,1,0,0,0,0|0,0,1]=3 649 B9R1.34 C1=C(NC(=S)N=C1N)N D155134 [1,1,0,0,0,0|0,1,0]=3 650 B9R1.34 C1=C(NC(=S)NC1=O)N A151319 [1,1,0,0,0,0|0,1,1]=4 651 B9R1.34 C1=C(NC(=S)NC1=O)N A189279 [1,1,0,0,0,0|0,1,1]=4 652 B9R1.34 CC1=CC(=CC(=N1)C)N A138719 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.34 CC1=CC(=CC(=O)N1)O D154391 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.34 CC1=CC(=NC(=N1)C)N A151326 [1,1,0,0,0,0|1,0,1]=4 655 B9R1.34 CC1=CC(=NC(=N1)Cl)N C174239 [1,1,0,0,0,0|1,0,1]=4 656 B9R1.34 CC1=CC(=NC(=O)N1)C D136258 [1,1,0,0,0,0|1,0,0]=3 657 B9R1.34 CC1=CC(=NC(=O)N1)C D138006 [1,1,0,0,0,0|1,0,0]=3 658 B9R1.34 CC1=CC(=NC(=S)N1)C D106353 [1,1,0,0,0,0|1,1,0]=4 659 B9R1.34 CC1=CC(=O)NC(=N1)C H139154 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.34 CC1=CC(=O)NC(=N1)N A151322 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.34 CC1=CC(=O)NC(=O)N1 M112490 [1,1,0,0,0,0|1,0,1]=4 662 B9R1.34 CC1=NC(=CC(=O)N1)Cl C167948 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.34 CC1=NC(=CC(=O)N1)N A151324 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.34 CC1=NC(=CC(=O)N1)O D123504 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.34 CC1=NC(=CC(=O)N1)O M190000 [1,1,0,0,0,0|2,0,0]=4 666 B9R1.34 CC1=NC(=NC(=O)N1)N A191346 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.15 C1=C(C(=NC=N1)N)C#N W131915 [1,1,0,0,0,0|1,0,1]=4 668 B9R1.15 C1=C(C(=O)NC=N1)C#N H184681 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.15 C1=CC=C(C(=C1)CN)F F122768 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.15 C1=CC=C(C(=C1)NN)F F101710 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.15 C1=CN=CC(=C1C=O)F F120653 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.15 C1=CN=CC(=C1CO)F F177786 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.15 C1=CN=CC(=C1N)C=O A479063 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.15 C1=CN=CC(=C1N)CO A167140 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.15 CCC1=NC=NC=C1F E173725 [1,1,0,0,0,0|1,0,1]=4 676 B9R1.15 CNC1=CC=CC=C1F F132815 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.37 C1(=C(C(=O)NC1=O)Br)Br D154384 [0,1,0,0,1,0|1,1,0]=4 678 B11R1.32 C1(=C(C(=NC(=C1F)F)F)F)N A167809 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.32 CN1C(=C(C(=O)NC1=O)Br)N A344940 [0,2,0,0,0,0|0,1,1]=4 680 B11R1.32 CN1C(=C(C(=O)NC1=O)N)N D155122 [0,2,0,0,0,0|1,0,1]=4 681 B11R1.32 CN1C=C(C(=O)N(C1=O)C)F F339065 [0,2,0,0,0,0|1,0,1]=4 682 B11R1.21 C1=C(C(=CN=C1C(=O)O)Br)N A173604 [0,2,0,0,0,0|1,1,0]=4 683 B11R1.21 C1=CC(=C(C=C1C(=O)N)N)F A479835 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F A133076 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)F F122498 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)N A132063 [0,2,0,0,0,0|2,0,0]=4 687 B11R1.192 CCOC1=NC=C(C(=O)N1)F F170997 [0,2,0,0,0,0|1,0,1]=4 688 B11R2.36 C1=CC(=O)NC2=C1C=CN2 H589458 [0,1,0,1,0,0|2,0,0]=4 689 B7R1.2 C1=C(NNC1=O)N A176721 [1,0,0,0,1,0|2,0,0]=4 690 B7R1.2 C1=C(NNC1=O)N A192525 [1,0,0,0,1,0|2,0,0]=4 691 B7R1.2 C1=C(SNC1=O)Cl C588436 [1,0,0,0,1,0|1,1,0]=4 692 B7R1.2 C1=CC(=O)NC1=O M100788 [1,0,0,0,1,0|2,0,0]=4 693 B7R1.2 C1=CC(=O)NC1=O M424627 [1,0,0,0,1,0|2,0,0]=4 694 B7R1.2 CC1=CC(=CN1)C D123132 [1,0,0,0,1,0|2,0,0]=4 695 B7R1.2 CC1=CC(=O)NN1 M133849 [1,0,0,0,1,0|2,0,0]=4 696 B7R1.2 CC1=CC(=O)NO1 BWY397355 [1,0,0,0,1,0|2,0,0]=4 697 B7R1.2 CC1=CC(=O)NO1 BWY397369 [1,0,0,0,1,0|2,0,0]=4 698 B7R1.2 CC1=CC(=O)NO1 BWY397380 [1,0,0,0,1,0|2,0,0]=4 699 B7R1.2 CC1=CC(=O)NO1 H109938 [1,0,0,0,1,0|2,0,0]=4 700 B7R1.2 CC1=CC(=O)NO1 H140830 [1,0,0,0,1,0|2,0,0]=4 701 B7R1.2 CC1=CN=C(N1)C D139451 [1,0,0,0,1,0|2,0,0]=4 702 B7R1.2 CC1=NC=C(N1)Br B181890 [1,0,0,0,1,0|1,1,0]=4 703 B7R1.4 CN1C(=CC=N1)N A180010 [1,0,0,0,1,0|2,0,0]=4