0 B9R1.8 CCOC1=CN=CC=C1 F31361 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.8 CNCC1=CN=NC=C1 P12145 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.8 ClCCC1=CN=CC=C1 D87792 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.8 NNCC1=CC=CN=N1 P13290 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.8 NNCC1=CN=NC=C1 P12938 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.8 NNCC1=NC=CC=N1 P11941 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 O=C=NC1=CC=NC=C1 AC6649 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.8 OCCC1=NC=NC=C1 20262 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.8 S=C=NC1=CC=NC=C1 C11997 [0,0,0,0,0,0|2,1,1]=4 10 B9R1.8 SCCC1=CN=CC=C1 F18092 [0,0,0,0,0,0|1,1,1]=3 11 B9R1.8 [C-]#[N+]CC1=CN=CN=C1 AT23892 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.8 [C-]#[N+]CC1=NC=CC=N1 AT23894 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.8 [C-]#[N+]CC1=NC=NC=C1 AT23891 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.2 CCC1=NC=CC=N1 D86044 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [1,0,0,0,0,0|0,0,1]=2 16 B8R1.2 NCC1=CN=NC=C1 F10917 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.1 C#CCC1=CC=C(Cl)C=C1 D75642 [0,1,0,0,0,0|1,0,1]=3 18 B10R1.1 NCCC1=CNC(=O)C=C1 FD7157 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.1 O=CCC1=CN=C(Br)C=C1 AC9639 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.4 CNCC1=C(Br)C=NC=C1 AT26684 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.4 OCCC1=C(Br)C=NC=C1 AT12936 [0,1,0,0,0,0|1,0,2]=4 22 B10R1.4 OCCC1=C(Br)C=NC=C1 D77127 [0,1,0,0,0,0|1,0,2]=4 23 B10R1.10 C#CCC1=CC=CC(Cl)=C1 D75648 [0,1,0,0,0,0|1,0,1]=3 24 B10R1.10 COCC1=NC=CC(N)=C1 P20443 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.10 NC1=CC(CCO)=NC=C1 AC2677 [0,1,0,0,0,0|1,0,2]=4 26 B10R1.10 NC1=NC=CC(CCO)=C1 AT18203 [0,1,0,0,0,0|1,0,2]=4 27 B10R1.10 NCCC1=CC(=O)NC=C1 C73270 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 C12342 [0,1,0,0,0,0|1,0,1]=3 29 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18142 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.15 C[C@@H](CO)C1=NC=CC=C1 AT23842 [0,1,0,0,0,0|1,0,2]=4 31 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [0,1,0,0,0,0|1,0,1]=3 33 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [0,1,0,0,0,0|1,0,1]=3 34 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [0,1,0,0,0,0|1,0,1]=3 35 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [0,1,0,0,0,0|1,0,1]=3 36 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [0,1,0,0,0,0|1,0,1]=3 37 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 N14219 [0,1,0,0,0,0|1,0,2]=4 38 B10R1.17 C#CCNC1=NC=CC=C1 D75633 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.17 ICCCC1=CN=CC=C1 E70092 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.18 CC(=O)CC1=NC=CC=N1 P10714 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [0,1,0,0,0,0|0,0,0]=1 43 B10R1.18 O=C(O)CC1=CN=NC=C1 P19188 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.18 O=C(O)CC1=NC=NC=C1 P10413 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.18 O=C(O)CC1=NN=CC=C1 P10994 [0,1,0,0,0,0|2,0,0]=3 46 B10R2.6 C1=CC=C(C2CC2)C=C1 W16080 [0,0,0,1,0,0|1,0,1]=3 47 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [0,0,0,1,0,0|1,0,1]=3 48 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [0,0,0,1,0,0|1,0,1]=3 49 B10R2.7 C1=CC2=C(C=C1)[Se]C=C2 AC9469 [0,0,0,1,0,0|0,1,1]=3 50 B10R2.7 C1=CC2=C(C=N1)CCO2 D75261 [0,0,0,1,0,0|1,0,2]=4 51 B10R2.7 C1=CC2=C(C=N1)OC=C2 C73709 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.3 SC1=CN=CC=C1 AT26584 [2,0,0,0,0,0|1,1,0]=4 53 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [1,1,0,0,0,0|1,0,1]=4 55 B9R1.1 NC1=CN=C(CO)C=C1 D77165 [1,1,0,0,0,0|1,0,1]=4 56 B9R1.1 O=CC1=NC=C(O)C=N1 H11149 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.2 BrCC1=NC=CC(Br)=C1 AT15450 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.2 CC1=CC(CBr)=NC=C1 AC9733 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.2 ClCC1=CC(Cl)=CN=C1 H10969 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.2 FC1=CC(CBr)=NC=C1 AC8274 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.2 NCC1=NC=CC(F)=C1 N13372 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.2 NCC1=NC=CC(O)=C1 79355 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.2 O=CC1=CN=CC(F)=N1 P13899 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [1,1,0,0,0,0|0,0,1]=3 65 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [1,1,0,0,0,0|1,0,0]=3 66 B9R1.15 CC1=C(C=O)C=NN=C1 AT10311 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.15 CC1=CC=NN=C1C=O AT10310 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [1,1,0,0,0,0|0,0,0]=2 69 B9R1.15 NCC1=C(F)C=CN=C1 C90217 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.15 NCC1=CC=CNC1=O D76881 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.15 O=CC1=C(F)C=CN=C1 P10446 [1,1,0,0,0,0|1,0,0]=3 72 B9R1.15 O=CC1=NC=CN=C1F P13900 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.1 C#CCCC1=CC=C(Cl)C=C1 D75651 [0,2,0,0,0,0|1,0,1]=4 74 B11R1.1 CC1=CC=C(OCC=O)C=C1 H11068 [0,2,0,0,0,0|0,0,0]=2 75 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C92933 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.20 C[C@H](N)CC1=CC=C(I)C=C1 A10374 [0,2,0,0,0,0|1,0,1]=4 77 B11R1.20 O=C(O)CC1=CN=C(Br)N=C1 D76259 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.20 O=C(O)CC1=CN=C(F)C=C1 AT23306 [0,2,0,0,0,0|1,0,0]=3 79 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 D86041 [0,2,0,0,0,0|1,0,0]=3 80 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17335 [0,2,0,0,0,0|0,0,2]=4 81 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17408 [0,2,0,0,0,0|0,0,2]=4 82 B11R1.81 FC1=C(CCBr)C=CC(Br)=C1 AC8494 [0,2,0,0,0,0|1,0,1]=4 83 B11R1.81 O=C=NC1=C(Cl)C=C(F)C=C1 AC2690 [0,2,0,0,0,0|1,0,1]=4 84 B11R1.83 C#CCC1=CC=C(OC)C=C1 D75643 [0,2,0,0,0,0|1,0,1]=4 85 B11R1.83 CNCC1=CC=C(SC)C=C1 D76957 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.83 N#CC1=CC=C(CC=O)C=C1 O11066 [0,2,0,0,0,0|0,0,0]=2 87 B11R1.83 NCCC1=CC=C(CO)C=C1 20461 [0,2,0,0,0,0|1,0,1]=4 88 B11R1.83 O=CC1=CC=C(CCBr)C=C1 AC8890 [0,2,0,0,0,0|1,0,1]=4 89 B11R1.17 O=CCOC1=C(Cl)C=CC=C1 H11067 [0,2,0,0,0,0|0,0,0]=2 90 B11R1.41 C#CC1=C(CC#N)C=CC=C1 C91138 [0,2,0,0,0,0|1,0,1]=4 91 B11R1.41 COCC1=C(CO)C=CC=C1 C16099 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 D74339 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.86 CC(=O)NC1=CC=CNC1=O D74338 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.86 O=C(O)CC1=C(Br)C=CN=C1 AT23274 [0,2,0,0,0,0|1,0,0]=3 95 B11R1.86 O=C(O)CC1=C(Br)C=NC=C1 AT23277 [0,2,0,0,0,0|1,0,0]=3 96 B11R1.86 O=C(O)CC1=C(Cl)C=CN=C1 AT23281 [0,2,0,0,0,0|1,0,0]=3 97 B11R1.86 O=C(O)CC1=C(Cl)C=NC=C1 AT23303 [0,2,0,0,0,0|1,0,0]=3 98 B11R1.86 O=C(O)CC1=C(F)C=NC=C1 AT23311 [0,2,0,0,0,0|1,0,0]=3 99 B11R1.86 O=C(O)CC1=CC=CN=C1F AT23305 [0,2,0,0,0,0|1,0,0]=3 100 B11R1.86 O=C(O)CC1=NC=CC=C1O 37888 [0,2,0,0,0,0|1,0,0]=3 101 B11R1.86 O=C([O-])CC1=C(Cl)C=NC=C1 AT23304 [0,2,0,0,0,0|1,0,0]=3 102 B11R1.86 O=C([O-])CC1=C(F)C=NC=C1 AT23312 [0,2,0,0,0,0|1,0,0]=3 103 B11R1.182 C=CCC1=C(O)C=CC(Cl)=C1 D73872 [0,2,0,0,0,0|1,0,0]=3 104 B11R1.182 CC1=C(CCN)C=C(Cl)C=C1 AT13430 [0,2,0,0,0,0|1,0,1]=4 105 B11R1.182 N#CCC1=C(F)C=CC(O)=C1 AC9338 [0,2,0,0,0,0|1,0,1]=4 106 B11R1.182 N#CCC1=C(I)C=CC(Br)=C1 AT16623 [0,2,0,0,0,0|1,0,1]=4 107 B11R1.222 C=CC(=O)C1=C(F)C=CC=C1 F13144 [0,2,0,0,0,0|1,0,1]=4 108 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 AT26732 [0,2,0,0,0,0|1,0,1]=4 109 B11R1.222 N#C[C@@H](F)C1=C(Cl)C=CC=C1 AC8978 [0,2,0,0,0,0|1,0,1]=4 110 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13417 [0,2,0,0,0,0|1,0,1]=4 111 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13440 [0,2,0,0,0,0|1,0,1]=4 112 B11R1.605 NC1=CC=CC(Br)=C1CCO AT22850 [0,2,0,0,0,0|0,0,2]=4 113 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 F13059 [0,2,0,0,0,0|1,0,1]=4 114 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 F13081 [0,2,0,0,0,0|1,0,1]=4 115 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 E72733 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 E72741 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 E72742 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.23 C[C@H](C#N)C1=CC=CC(Br)=C1 AT16528 [0,2,0,0,0,0|1,0,1]=4 119 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10333 [0,2,0,0,0,0|1,0,1]=4 120 B11R1.23 N[C@@H](CF)C1=CC=CC(Cl)=C1 N14612 [0,2,0,0,0,0|1,0,1]=4 121 B11R1.23 N[C@@H](CO)C1=CC=CC(I)=C1 P12330 [0,2,0,0,0,0|0,0,2]=4 122 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 F16868 [0,2,0,0,0,0|0,0,2]=4 123 B11R1.23 O[C@@H](CF)C1=CC=CC(Cl)=C1 AT24264 [0,2,0,0,0,0|1,0,1]=4 124 B11R1.24 C#CCCC1=CC=CC(Cl)=C1 D75653 [0,2,0,0,0,0|1,0,1]=4 125 B11R1.24 COCOC1=CC=CC(Br)=C1 C11085 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.34 CC1=CC(Br)=CC(CC#N)=C1 AT16549 [0,2,0,0,0,0|1,0,1]=4 127 B11R1.157 CC(=O)CC1=CC(N)=CC=C1 D75584 [0,2,0,0,0,0|0,0,0]=2 128 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 D96441 [0,2,0,0,0,0|1,0,1]=4 129 B11R1.157 O=C(O)CC1=CC(Cl)=CN=C1 AT23278 [0,2,0,0,0,0|1,0,0]=3 130 B11R1.157 O=C(O)CC1=CC(F)=NC=C1 AT23309 [0,2,0,0,0,0|1,0,0]=3 131 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 C73248 [0,2,0,0,0,0|1,0,0]=3 132 B11R1.157 O=C(O)CC1=NC=CC(F)=C1 AT23307 [0,2,0,0,0,0|1,0,0]=3 133 B11R1.157 O=C([O-])CC1=CC(F)=NC=C1 AT23310 [0,2,0,0,0,0|1,0,0]=3 134 B11R1.189 C#CCC1=CC=CC(OC)=C1 D75650 [0,2,0,0,0,0|1,0,1]=4 135 B11R1.7 C=C[Se](=O)(=O)C1=CC=CC=C1 AT22715 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.12 N#C[C@@H](CO)C1=CC=CC=C1 F11744 [0,2,0,0,0,0|0,0,2]=4 137 B11R1.12 NC\C(=C\Cl)C1=CC=CC=C1 42349 [0,2,0,0,0,0|1,0,1]=4 138 B11R1.16 NCCC(=O)C1=CC=CC=C1 AC9010 [0,2,0,0,0,0|1,0,1]=4 139 B11R1.16 NCCC(=O)C1=CC=CC=C1 D76552 [0,2,0,0,0,0|1,0,1]=4 140 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 T70930 [0,2,0,0,0,0|1,0,1]=4 141 B11R1.36 C[C@@H](C(=O)O)C1=NC=CC=C1 W18289 [0,2,0,0,0,0|1,0,0]=3 142 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15520 [0,2,0,0,0,0|0,0,2]=4 143 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT23446 [0,2,0,0,0,0|1,0,0]=3 144 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT23447 [0,2,0,0,0,0|1,0,0]=3 145 B11R1.36 N[C@@H](C(=O)[O-])C1=CC=NC=C1 AT23529 [0,2,0,0,0,0|1,0,0]=3 146 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21494 [0,2,0,0,0,0|1,0,1]=4 147 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21495 [0,2,0,0,0,0|1,0,1]=4 148 B11R1.28 NOCCNC1=CC=CC=C1 AT21708 [0,2,0,0,0,0|0,0,2]=4 149 B11R1.28 O=CCCCC1=CC=NC=C1 P16930 [0,2,0,0,0,0|1,0,0]=3 150 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [0,2,0,0,0,0|1,0,0]=3 151 B11R1.40 COC(=N)CC1=CC=CC=C1 C10559 [0,2,0,0,0,0|0,0,1]=3 152 B11R1.40 COC(=O)CC1=NN=CC=C1 37155 [0,2,0,0,0,0|2,0,0]=4 153 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 D76472 [0,2,0,0,0,0|1,0,1]=4 154 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6790 [0,2,0,0,0,0|1,0,1]=4 155 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6791 [0,2,0,0,0,0|1,0,1]=4 156 B11R1.91 O=C(O)CCC1=NN=CC=C1 P18641 [0,2,0,0,0,0|2,0,0]=4 157 B11R1.509 NS(=O)(=O)CC1=NC=CC=C1 D76578 [0,2,0,0,0,0|2,0,0]=4 158 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 AT24286 [0,2,0,0,0,0|2,0,0]=4 159 B11R1.509 O=S(=O)(Cl)CC1=CN=CC=C1 AT21663 [0,2,0,0,0,0|2,0,0]=4 160 B11R1.509 O=S(=O)(Cl)CC1=CN=CC=C1 D87972 [0,2,0,0,0,0|2,0,0]=4 161 B11R1.509 O=S(=O)(Cl)CC1=NC=CC=C1 AR1211 [0,2,0,0,0,0|2,0,0]=4 162 B11R2.34 FC1=CC=C(C2CC2)C=C1 AC9033 [0,1,0,1,0,0|1,0,1]=4 163 B11R2.36 NC1=CC2=C(C=CS2)C=C1 F51265 [0,1,0,1,0,0|0,1,1]=4 164 B11R2.36 [2H]C1=CC2=C(C=C1)SC=C2 AC4021 [0,1,0,1,0,0|0,1,1]=4 165 B11R2.117 N[C@H]1CC2=C1C=C(F)C=C2 AT11821 [0,1,0,1,0,0|1,0,1]=4 166 B11R2.10 IC1CC2=C(C=CC=C2)C1 H10270 [0,1,0,1,0,0|1,0,1]=4 167 B11R2.106 IC1=C2CCNC2=CC=C1 F13717 [0,1,0,1,0,0|1,0,1]=4 168 B11R2.106 OC1=C2SC=NC2=CC=C1 W19283 [0,1,0,1,0,0|1,1,0]=4 169 B11R2.468 O=C1CC2=CC=CC(Br)=C12 AT20401 [0,1,0,1,0,0|0,0,0]=2 170 B11R2.1 BrC1=NOC2=C1C=CC=C2 D77128 [0,1,0,1,0,0|2,0,0]=4 171 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E73009 [0,1,0,1,0,0|1,0,1]=4 172 B11R2.1 NC1=C2C=CC=CC2=NO1 AC2203 [0,1,0,1,0,0|2,0,0]=4 173 B11R2.1 N[C@H]1COC2=C1C=CC=C2 F16957 [0,1,0,1,0,0|0,0,2]=4 174 B11R2.1 O=C1NC=C2C=CC=CN12 D72553 [0,1,0,1,0,0|1,0,1]=4 175 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 P15599 [0,1,0,1,0,0|1,0,1]=4 176 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19381 [0,1,0,1,0,0|1,0,1]=4 177 B11R2.40 OC1(C2=CC=CC=C2)CC1 D72927 [0,1,0,1,0,0|1,0,1]=4 178 B7R1.1 O=CC1=CC=NO1 C73163 [1,0,0,0,1,0|2,0,0]=4