0 B8R1.4 CC1=CC(I)=CN=C1 D76269 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.4 FC1=CC=NC(Br)=N1 AT18238 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.4 FC1=CC=NC(Cl)=N1 D77150 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.4 NC1=CC(Br)=NN=C1 D76213 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.4 NC1=CC=CC([15NH2])=C1 41470 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.4 O=C1C=C(Br)C=CO1 A10539 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.4 O=C1C=C(O)C=CO1 AT26917 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.4 O=C1C=CC=C(I)N1 D76264 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.4 SC1=CC(Cl)=CN=C1 AT19856 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.3 SC1=CN=CC=C1 AT26584 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.2 BrCC1=NC=CC(Br)=C1 AT15450 [0,1,0,0,0,0|1,0,0]=2 11 B9R1.2 CC1=CC(CBr)=NC=C1 AC9733 [0,1,0,0,0,0|0,0,0]=1 12 B9R1.2 CC1=CC(CCl)=NN=C1 F30453 [0,1,0,0,0,0|1,0,0]=2 13 B9R1.2 CC1=CN=CC(CN)=N1 C91463 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.2 CC1=CN=NC(CN)=C1 F30454 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.2 CCC1=CN=NC(N)=C1 S11510 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.2 COC1=NN=CC(N)=C1 AC8536 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.2 ClCC1=CC(Cl)=CN=C1 H10969 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.2 FC1=CC(CBr)=NC=C1 AC8274 [0,1,0,0,0,0|1,0,0]=2 19 B9R1.2 N#CC1=CN=NC(N)=C1 AT17785 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.2 N#CC1=NC=CC(Br)=N1 32864 [0,1,0,0,0,0|2,0,1]=4 21 B9R1.2 N#CC1=NC=NC(N)=C1 AC8004 [0,1,0,0,0,0|2,0,1]=4 22 B9R1.2 NC1=CC=NC(CCl)=N1 AT18293 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.2 NCC1=CC=NC(N)=N1 AC7326 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.2 NCC1=CC=NC(N)=N1 AT21781 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.2 NCC1=NC(=O)NC=C1 P13759 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.2 NCC1=NC=CC(Cl)=N1 P19988 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.2 NCC1=NC=CC(F)=C1 N13372 [0,1,0,0,0,0|1,0,0]=2 28 B9R1.2 NCC1=NC=CC(O)=C1 79355 [0,1,0,0,0,0|1,0,0]=2 29 B9R1.2 O=C1C=CN=C(CO)N1 AT21628 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.2 OCC1=NC=CC(Cl)=N1 AT21631 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.3 CC1=CC=CC(O)=C1S D87757 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.3 CC1=CC=CC(S)=C1Cl AT20810 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.3 CC1=NC=CC(O)=C1N D75564 [0,1,0,0,0,0|1,0,0]=2 34 B9R1.3 NC1=C(Cl)C(F)=CC=N1 AT24469 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.3 NC1=C(Cl)C(S)=CC=N1 98379 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.3 NC1=C(I)C(F)=CC=N1 AT24470 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.3 NC1=CC=CC(I)=C1F AT12784 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.3 NC1=NC=CC(I)=C1F 98663 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.3 NC1=NC=NC(N)=C1I D76645 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.3 O=C1NC=CC(I)=C1Br 91735 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.3 O=C1NC=CC(O)=C1Br D87597 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.3 OC1=C(Br)C=CC=C1S AT20877 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.3 OC1=C(I)C=CN=C1F AT19123 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.3 OC1=NC=CC(Br)=C1Cl AT12833 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.3 SC1=C(Br)C=CC=C1Cl AT20840 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.3 [2H]C1=CC=CC([2H])=C1[2H] D97879 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.3 [BH3-]C1=C(F)C=CC=C1N AC9155 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.3 [BH3-]C1=CC=CN(C)C1=O AC8669 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.34 CC1=CC(F)=CC(Br)=N1 AT24856 [0,1,0,0,0,0|1,0,0]=2 50 B9R1.34 CC1=C[C@@H](C)CC(=O)C1 AC6518 [0,1,0,0,0,0|1,0,2]=4 51 B9R1.34 CC1=NC(Br)=CC(Br)=N1 D74805 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.34 ClC1=CC(I)=CC(I)=C1 D75154 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.34 FC1=CC(Br)=NC(F)=C1 C15766 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.34 NC1=CC(F)=CC(Br)=N1 AT10211 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.34 NC1=CC(F)=CC(Cl)=N1 AT18827 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.34 NC1=CC(I)=CC(Cl)=N1 AT10788 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.69 CC1=C(Br)C=NC(O)=N1 64362 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.69 CC1=C(O)C=NC(Br)=N1 AT22354 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.69 CC1=CC(C)=NN=C1Br AT24019 [0,1,0,0,0,0|1,0,0]=2 60 B9R1.69 CC1=CC(F)=C(Cl)C=N1 D72539 [0,1,0,0,0,0|1,0,0]=2 61 B9R1.69 CC1=CC(I)=C(Br)C=N1 AT24028 [0,1,0,0,0,0|1,0,0]=2 62 B9R1.69 CC1=CC=C(Br)C(I)=N1 AT24007 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.69 CC1=CN=C(Br)C(O)=C1 79186 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.69 CC1=CN=C(Br)C=C1C AC6563 [0,1,0,0,0,0|1,0,0]=2 65 B9R1.69 CC1=CN=C(C)N=C1Br AT18302 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.69 CC1=CN=C(I)C(O)=C1 C91413 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.69 CC1=NC(N)=C(Cl)C=C1 P20697 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.69 ClC1=C(Br)N=C(Br)N=C1 D73840 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.69 ClC1=C(I)C=C(I)C=C1 AT18534 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.69 FC1=CC(Br)=C(I)C=N1 AC8140 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.69 FC1=CC(F)=C(Br)C=N1 F53629 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.69 FC1=CC(I)=C(Br)C=N1 AC9250 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.69 NC1=C(Br)C=C(F)N=C1 C90325 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.69 NC1=C(Cl)C=NC(F)=C1 F31183 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.69 NC1=C(O)C=NC(Cl)=N1 AC7385 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.69 NC1=CC(F)=C(N)C=N1 AT25925 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.69 NC1=NC(N)=C(Br)C=N1 D88191 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.69 O=C1NC(Cl)=NC=C1Cl AT15155 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.69 O=C1NN=C(F)C=C1Br AT24745 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.69 SC1=C(I)C=CC(Cl)=C1 AT20870 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.69 SC1=CC(Br)=C(Cl)C=C1 AT20884 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.69 [2H]C1=CC([2H])=C([2H])C=C1 D98805 [0,1,0,0,0,0|3,0,0]=4 83 B7R1.2 CC1=CC=C(N)S1 32908 [0,0,0,0,1,0|2,0,0]=3 84 B7R1.2 CC1=CN(N)C=C1 AT24000 [0,0,0,0,1,0|2,0,0]=3 85 B7R1.2 CC1=CN=C(Br)O1 F20659 [0,0,0,0,1,0|2,0,0]=3 86 B7R1.2 CC1=CN=C(N)N1 28111 [0,0,0,0,1,0|2,0,0]=3 87 B7R1.2 CC1=COC(Cl)=N1 AT18557 [0,0,0,0,1,0|3,0,0]=4 88 B7R1.2 CC1=NC(Br)=NS1 AT11963 [0,0,0,0,1,0|3,0,0]=4 89 B7R1.2 CC1=NOC(Br)=C1 AT19745 [0,0,0,0,1,0|2,0,0]=3 90 B7R1.2 CN1C=CC(S)=N1 AT15835 [0,0,0,0,1,0|3,0,0]=4 91 B7R1.2 CN1N=CC(N)=N1 AC9457 [0,0,0,0,1,0|3,0,0]=4 92 B7R1.2 NC1=CC(Br)=NO1 D72556 [0,0,0,0,1,0|3,0,0]=4 93 B7R1.2 NC1=CC(F)=CS1 AT16866 [0,0,0,0,1,0|3,0,0]=4 94 B7R1.2 NC1=CC=C(N)N1 F52185 [0,0,0,0,1,0|3,0,0]=4 95 B7R1.2 NC1=CSC(Br)=C1 P11848 [0,0,0,0,1,0|3,0,0]=4 96 B7R1.2 NC1=NC=C(Br)O1 D76175 [0,0,0,0,1,0|3,0,0]=4 97 B7R1.4 BrC1=NSC=C1I AT21082 [0,0,0,0,1,0|3,0,0]=4 98 B7R1.4 CC1=C(Br)N=CO1 AT18589 [0,0,0,0,1,0|2,0,0]=3 99 B7R1.4 CC1=C(Br)N=CO1 AT26832 [0,0,0,0,1,0|2,0,0]=3 100 B7R1.4 CC1=C(Br)OC=N1 AT18669 [0,0,0,0,1,0|2,0,0]=3 101 B7R1.4 CC1=C(Br)OC=N1 AT18693 [0,0,0,0,1,0|2,0,0]=3 102 B7R1.4 CC1=C(Br)SN=C1 C15876 [0,0,0,0,1,0|3,0,0]=4 103 B7R1.4 CC1=C(N)C=CS1 86771 [0,0,0,0,1,0|2,0,0]=3 104 B7R1.4 CC1=C(N)C=CS1 AT25979 [0,0,0,0,1,0|2,0,0]=3 105 B7R1.4 CC1=C(N)SN=C1 AT21117 [0,0,0,0,1,0|3,0,0]=4 106 B7R1.4 CC1=C(O)C=CS1 AT26691 [0,0,0,0,1,0|2,0,0]=3 107 B7R1.4 CC1=CON=C1Br 95082 [0,0,0,0,1,0|2,0,0]=3 108 B7R1.4 FC1=C(Br)SC=C1 AT16344 [0,0,0,0,1,0|3,0,0]=4 109 B7R1.4 NC1=C(Br)N=CS1 92248 [0,0,0,0,1,0|3,0,0]=4 110 B7R1.4 NC1=C(Br)SC=C1 AT14950 [0,0,0,0,1,0|3,0,0]=4 111 B7R1.4 NC1=C(Br)SC=N1 92252 [0,0,0,0,1,0|3,0,0]=4 112 B7R1.4 NC1=CSN=C1Br AT21080 [0,0,0,0,1,0|3,0,0]=4 113 B7R1.4 NC1=NSC=C1Br AT26505 [0,0,0,0,1,0|3,0,0]=4 114 B7R1.4 OC1=NOC=C1Br AT19728 [0,0,0,0,1,0|3,0,0]=4 115 B7R1.4 OC1=NSC=C1Br AT11778 [0,0,0,0,1,0|3,0,0]=4 116 B6R1.1 [13CH]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 41443 [2,0,0,0,0,0|1,0,0]=3 117 B8R1.2 CCC1=NC=CC=N1 D86044 [1,1,0,0,0,0|1,0,0]=3 118 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [1,1,0,0,0,0|1,0,0]=3 119 B8R1.2 NCC1=CN=NC=C1 F10917 [1,1,0,0,0,0|1,0,0]=3 120 B8R1.2 NNC1=CN=NC=C1 AT13036 [1,1,0,0,0,0|2,0,0]=4 121 B8R1.3 CC1=NN=C(S)C=C1 AT17805 [1,1,0,0,0,0|1,0,0]=3 122 B8R1.3 FC1=CN=C(S)C=C1 AT18757 [1,1,0,0,0,0|1,0,0]=3 123 B8R1.5 BrC1=C(I)C=NC=N1 C11129 [1,1,0,0,0,0|2,0,0]=4 124 B8R1.5 CC1=C(Br)C=NN=C1 F53722 [1,1,0,0,0,0|1,0,0]=3 125 B8R1.5 CC1=C(N)C=CN=N1 F13599 [1,1,0,0,0,0|1,0,0]=3 126 B8R1.5 CC1=C(N)C=CN=N1 F13600 [1,1,0,0,0,0|1,0,0]=3 127 B8R1.5 CC1=CN=NC=C1N P19176 [1,1,0,0,0,0|1,0,0]=3 128 B8R1.5 CN1C=CC=NC1=O AT19342 [1,1,0,0,0,0|2,0,0]=4 129 B8R1.5 CN1C=NC=CC1=O D77055 [1,1,0,0,0,0|2,0,0]=4 130 B8R1.5 NC1=C(N)N=NC=C1 S10921 [1,1,0,0,0,0|2,0,0]=4 131 B8R1.5 NC1=C(S)C=NC=C1 P12634 [1,1,0,0,0,0|1,0,0]=3 132 B8R1.5 O=C1OC=CC=C1Br AC1746 [1,1,0,0,0,0|2,0,0]=4 133 B8R1.5 OC1=C(Br)C=NN=C1 D72174 [1,1,0,0,0,0|2,0,0]=4 134 B8R1.5 OC1=C(F)C=CN=C1 98163 [1,1,0,0,0,0|1,0,0]=3 135 B8R1.1 BrCC1=NC=C(Br)O1 87116 [0,1,0,0,1,0|2,0,0]=4 136 B8R1.1 CC1=CC(C=O)=NS1 F14135 [0,1,0,0,1,0|1,0,1]=4 137 B8R1.1 CC1=CC(CN)=CS1 D76884 [0,1,0,0,1,0|1,0,0]=3 138 B8R1.1 CC1=COC(C=O)=C1 P11782 [0,1,0,0,1,0|1,0,1]=4 139 B8R1.1 CC1=COC(CN)=C1 P11789 [0,1,0,0,1,0|1,0,0]=3 140 B8R1.1 CC1=COC(CN)=N1 72853 [0,1,0,0,1,0|2,0,0]=4 141 B8R1.1 CC1=NC(CBr)=CS1 D78646 [0,1,0,0,1,0|2,0,0]=4 142 B8R1.1 CC1=NSC(CO)=C1 AT21143 [0,1,0,0,1,0|1,0,0]=3 143 B8R1.1 CCC1=CC=C(N)S1 AT14665 [0,1,0,0,1,0|2,0,0]=4 144 B8R1.1 CCC1=NC=C(Br)O1 AT18672 [0,1,0,0,1,0|2,0,0]=4 145 B8R1.1 CCC1=NOC(Br)=C1 AT19746 [0,1,0,0,1,0|2,0,0]=4 146 B8R1.1 CCC1=NOC(O)=C1 AT19691 [0,1,0,0,1,0|2,0,0]=4 147 B8R1.1 CN1C=C(CO)N=N1 AC6789 [0,1,0,0,1,0|2,0,0]=4 148 B8R1.1 CN1N=CC(CN)=N1 AT25239 [0,1,0,0,1,0|2,0,0]=4 149 B8R1.1 COC1=CC(Br)=CS1 P19567 [0,1,0,0,1,0|2,0,0]=4 150 B8R1.1 COC1=NC=C(I)S1 AT14884 [0,1,0,0,1,0|2,0,0]=4 151 B8R1.1 COC1=NOC(Br)=C1 AT19613 [0,1,0,0,1,0|2,0,0]=4 152 B8R1.1 COC1=NOC(O)=C1 AT19567 [0,1,0,0,1,0|2,0,0]=4 153 B8R1.1 COC1=NOC(S)=C1 AT19574 [0,1,0,0,1,0|2,0,0]=4 154 B8R1.1 COC1=NSC(Br)=C1 AT11775 [0,1,0,0,1,0|2,0,0]=4 155 B8R1.1 COC1=NSC(N)=C1 AT11780 [0,1,0,0,1,0|2,0,0]=4 156 B8R1.1 CSC1=NC=C(Br)S1 AT14712 [0,1,0,0,1,0|2,0,0]=4 157 B8R1.1 ClC1=CSC(CBr)=C1 AT16713 [0,1,0,0,1,0|2,0,0]=4 158 B8R1.1 ClCC1=CSC(Cl)=C1 AT16568 [0,1,0,0,1,0|2,0,0]=4 159 B8R1.1 FC1=CC=C(CBr)O1 55271 [0,1,0,0,1,0|2,0,0]=4 160 B8R1.1 NC1=NC=C(CO)O1 AT18684 [0,1,0,0,1,0|2,0,0]=4 161 B8R1.1 NCC1=CC(O)=NO1 D86836 [0,1,0,0,1,0|2,0,0]=4 162 B8R1.1 NCC1=CC=C(Cl)O1 AT17313 [0,1,0,0,1,0|2,0,0]=4 163 B8R1.1 NCC1=CN=C(Br)S1 AT14675 [0,1,0,0,1,0|2,0,0]=4 164 B8R1.1 NCC1=CN=C(N)S1 W17785 [0,1,0,0,1,0|2,0,0]=4 165 B8R1.1 NCC1=NC=C(Br)O1 86227 [0,1,0,0,1,0|2,0,0]=4 166 B8R1.1 OCC1=CC(F)=CS1 D74661 [0,1,0,0,1,0|2,0,0]=4 167 B8R1.1 OCC1=CC=C(Cl)O1 AC8965 [0,1,0,0,1,0|2,0,0]=4 168 B8R1.1 OCC1=CC=C(F)O1 55270 [0,1,0,0,1,0|2,0,0]=4 169 B8R1.1 OCC1=CN=C(Br)N1 AT15349 [0,1,0,0,1,0|2,0,0]=4 170 B8R1.1 OCC1=COC(Br)=C1 AT23870 [0,1,0,0,1,0|2,0,0]=4 171 B8R1.1 OCC1=NNC(Br)=C1 D75509 [0,1,0,0,1,0|2,0,0]=4 172 B8R1.1 SCC1=CC=C(Cl)O1 AT17318 [0,1,0,0,1,0|2,0,0]=4 173 B8R1.18 CC1=C(O)N=C(N)S1 E70270 [0,1,0,0,1,0|2,0,0]=4 174 B8R1.18 CC1=NC(C)=C(Br)O1 AT18671 [0,1,0,0,1,0|2,0,0]=4 175 B8R1.18 CC1=NN(C)C(O)=N1 AT12328 [0,1,0,0,1,0|2,0,0]=4 176 B8R1.18 CN1C=C(Br)C=C1N AT16239 [0,1,0,0,1,0|2,0,0]=4 177 B8R1.18 CN1C=C(Br)N=C1N 36702 [0,1,0,0,1,0|2,0,0]=4 178 B8R1.18 CN1C=C(F)C(N)=N1 AT14070 [0,1,0,0,1,0|2,0,0]=4 179 B8R1.18 CN1C=C(N)C(Cl)=N1 W17377 [0,1,0,0,1,0|2,0,0]=4 180 B8R1.18 CN1C=C(N)C(F)=N1 AT11532 [0,1,0,0,1,0|2,0,0]=4 181 B8R1.50 CC1=C(C)C(Br)=NO1 C11053 [0,1,0,0,1,0|2,0,0]=4 182 B8R1.50 CC1=C(I)N(C)N=C1 W18558 [0,1,0,0,1,0|1,0,0]=3 183 B8R1.50 CC1=C(N)C(Br)=NO1 AT19694 [0,1,0,0,1,0|2,0,0]=4 184 B8R1.50 CC1=C(N)C(Br)=NO1 AT19724 [0,1,0,0,1,0|2,0,0]=4 185 B8R1.50 CC1=CNN(C)C1=O AT14042 [0,1,0,0,1,0|1,0,1]=4 186 B8R1.50 CC1=NC=C(N)N1C AT15327 [0,1,0,0,1,0|2,0,0]=4 187 B8R1.50 CC1=NOC(Br)=C1C AT19747 [0,1,0,0,1,0|2,0,0]=4 188 B8R1.50 CC1=NSC(Br)=C1N AT26937 [0,1,0,0,1,0|2,0,0]=4 189 B8R1.50 CC1=NSC(C)=C1N AT21115 [0,1,0,0,1,0|1,0,0]=3 190 B8R1.50 CN1N=CC(Cl)=C1Br AT25148 [0,1,0,0,1,0|2,0,0]=4 191 B8R1.50 CN1N=CC(F)=C1N AT13368 [0,1,0,0,1,0|2,0,0]=4 192 B8R1.50 CN1N=CC(N)=C1F AT11531 [0,1,0,0,1,0|2,0,0]=4 193 B8R1.50 CN1N=CC(O)=C1Cl AT25130 [0,1,0,0,1,0|2,0,0]=4 194 B8R1.11 C#CC1=NC=CN1C D76704 [0,1,0,0,1,0|1,0,1]=4 195 B8R1.11 CC1=CON=C1CN 95087 [0,1,0,0,1,0|1,0,0]=3 196 B8R1.11 CC1=NOC=C1C=O C77412 [0,1,0,0,1,0|1,0,1]=4 197 B8R1.11 CC1=NOC=C1CO AT19017 [0,1,0,0,1,0|1,0,0]=3 198 B8R1.11 CCC1=CON=C1N AT19778 [0,1,0,0,1,0|2,0,0]=4 199 B8R1.11 CCC1=NOC=C1N AT19803 [0,1,0,0,1,0|2,0,0]=4 200 B8R1.11 CCN1C=CN=C1N AT26762 [0,1,0,0,1,0|2,0,0]=4 201 B8R1.11 CN1N=CN=C1CCl F31187 [0,1,0,0,1,0|2,0,0]=4 202 B8R1.11 CN1N=NC=C1CO 92410 [0,1,0,0,1,0|2,0,0]=4 203 B8R1.11 COC1=NSC=C1Br AT11774 [0,1,0,0,1,0|2,0,0]=4 204 B8R1.11 COC1=NSC=C1I AT11788 [0,1,0,0,1,0|2,0,0]=4 205 B8R1.11 COC1=NSC=C1N AT11779 [0,1,0,0,1,0|2,0,0]=4 206 B8R1.11 NCC1=NSC=C1Br D80073 [0,1,0,0,1,0|2,0,0]=4 207 B8R1.11 OCC1=C(Br)SC=N1 AT11862 [0,1,0,0,1,0|2,0,0]=4 208 B8R1.11 OCC1=C(F)C=CS1 AT22758 [0,1,0,0,1,0|2,0,0]=4 209 B8R1.11 OCC1=NSC=C1Br AT21092 [0,1,0,0,1,0|2,0,0]=4 210 B10R1.2 C#CC1=C(F)C(C)=CC=C1 AT26741 [0,2,0,0,0,0|1,0,1]=4 211 B10R1.2 CC1=C(C=O)C=CN=C1F AC7965 [0,2,0,0,0,0|1,0,1]=4 212 B10R1.2 CC1=C(N)C=CN=C1CO D86040 [0,2,0,0,0,0|1,0,0]=3 213 B10R1.2 CCC1=C(C)C(C)=CC=C1 T73080 [0,2,0,0,0,0|1,0,0]=3 214 B10R1.2 CCN1C=CN=C(Cl)C1=O AT24640 [0,2,0,0,0,0|2,0,0]=4 215 B10R1.2 CN1C=CC=C(CCl)C1=O 55280 [0,2,0,0,0,0|2,0,0]=4 216 B10R1.2 CN1C=CN=C(CN)C1=O AT13896 [0,2,0,0,0,0|1,0,0]=3 217 B10R1.2 COC1=C(Cl)C(Br)=NC=N1 AT18434 [0,2,0,0,0,0|2,0,0]=4 218 B10R1.2 N#CC1=NC=CC(Cl)=C1F AT25607 [0,2,0,0,0,0|1,0,1]=4 219 B10R1.2 NC1=C(CO)C=CN=C1Cl AT14241 [0,2,0,0,0,0|1,0,0]=3 220 B10R1.2 NCC1=CC=CC(F)=C1O D85259 [0,2,0,0,0,0|2,0,0]=4 221 B10R1.2 NCC1=NC=CC(Cl)=C1Cl AT13887 [0,2,0,0,0,0|1,0,0]=3 222 B10R1.2 NCC1=NC=CC(Cl)=C1F AC3524 [0,2,0,0,0,0|1,0,0]=3 223 B10R1.2 NCC1=NC=CC(Cl)=C1F AT22978 [0,2,0,0,0,0|1,0,0]=3 224 B10R1.2 O=CC1=C(O)C(Br)=NC=C1 D73604 [0,2,0,0,0,0|1,0,1]=4 225 B10R1.2 OCC1=NC=CC(Cl)=C1F AC2972 [0,2,0,0,0,0|1,0,0]=3 226 B10R1.8 CC1=CC(C=O)=NC(C)=N1 P20556 [0,2,0,0,0,0|1,0,0]=3 227 B10R1.8 CC1=CC(F)=CC(CCl)=N1 P13233 [0,2,0,0,0,0|1,0,0]=3 228 B10R1.8 CC1=NC(CO)=NC(N)=C1 32917 [0,2,0,0,0,0|1,0,0]=3 229 B10R1.8 CCC1=CC(C)=CC(C)=C1 T73084 [0,2,0,0,0,0|1,0,0]=3 230 B10R1.8 COC1=CC(Br)=CC(F)=N1 W18470 [0,2,0,0,0,0|1,0,0]=3 231 B10R1.8 FCC1=NC(Cl)=CC(Cl)=N1 AT24499 [0,2,0,0,0,0|2,0,0]=4 232 B10R1.8 NC1=NC(C=O)=CC(Br)=C1 D75532 [0,2,0,0,0,0|1,0,1]=4 233 B10R1.8 OCC1=NC(Cl)=CC(Cl)=N1 C71966 [0,2,0,0,0,0|2,0,0]=4 234 B10R1.10 C#CCC1=CC=CC(Cl)=C1 D75648 [0,2,0,0,0,0|2,0,0]=4 235 B10R1.10 CNCC1=NC(C)=CC=N1 P12312 [0,2,0,0,0,0|1,0,0]=3 236 B10R1.10 COCC1=NC=CC(N)=C1 P20443 [0,2,0,0,0,0|1,0,0]=3 237 B10R1.10 NC1=CC(CCO)=NC=C1 AC2677 [0,2,0,0,0,0|1,0,0]=3 238 B10R1.10 NC1=NC=CC(CCO)=C1 AT18203 [0,2,0,0,0,0|1,0,0]=3 239 B10R1.10 NCCC1=CC(=O)NC=C1 C73270 [0,2,0,0,0,0|1,0,1]=4 240 B10R1.30 CC1=CC(C=O)=C(F)C=N1 AT23100 [0,2,0,0,0,0|0,0,1]=3 241 B10R1.30 CC1=CC=C(F)C(CBr)=N1 C92939 [0,2,0,0,0,0|2,0,0]=4 242 B10R1.30 CC1=NC(CN)=C(Br)C=C1 AT24005 [0,2,0,0,0,0|2,0,0]=4 243 B10R1.30 CC1=NC(CN)=C(Br)C=C1 AT24006 [0,2,0,0,0,0|2,0,0]=4 244 B10R1.30 CCC1=CC(N)=NN=C1Cl AT21730 [0,2,0,0,0,0|2,0,0]=4 245 B10R1.30 COC1=C(Br)C=NC(I)=N1 AT15563 [0,2,0,0,0,0|2,0,0]=4 246 B10R1.30 CSC1=C(C)C=CC(N)=C1 AT20855 [0,2,0,0,0,0|2,0,0]=4 247 B10R1.30 CSC1=C(F)C=CC(Br)=C1 E72635 [0,2,0,0,0,0|2,0,0]=4 248 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [0,2,0,0,0,0|2,0,0]=4 249 B10R1.30 N#CC1=CC(Cl)=NC=C1N D73920 [0,2,0,0,0,0|1,0,1]=4 250 B10R1.30 OC1=CC(CCl)=C(F)C=N1 W11443 [0,2,0,0,0,0|1,0,0]=3 251 B10R1.113 CC(=O)C1=NC(C)=CC=N1 P10715 [0,2,0,0,0,0|1,0,0]=3 252 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 D75135 [0,2,0,0,0,0|2,0,0]=4 253 B10R1.113 CC1=CC=CC([S@](=O)[O-])=C1 C14953 [0,2,0,0,0,0|2,0,0]=4 254 B10R1.113 CC1=NC=CC(B(O)O)=N1 C16163 [0,2,0,0,0,0|2,0,0]=4 255 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 N13197 [0,2,0,0,0,0|1,0,0]=3 256 B10R1.113 C[C@H](O)C1=CC(F)=NC=C1 AT10688 [0,2,0,0,0,0|1,0,0]=3 257 B10R1.113 C[C@H](O)C1=CC=NC(Cl)=N1 E70226 [0,2,0,0,0,0|2,0,0]=4 258 B10R1.113 NC1=NC=CC(B(O)O)=C1 36649 [0,2,0,0,0,0|2,0,0]=4 259 B10R1.113 OB(O)C1=NC=CC(F)=C1 D76942 [0,2,0,0,0,0|2,0,0]=4 260 B10R1.172 BrCC1=CC(CBr)=NC=C1 D88194 [0,2,0,0,0,0|0,0,0]=2 261 B10R1.172 CCC1=CC=CC(CBr)=N1 P20680 [0,2,0,0,0,0|2,0,0]=4 262 B10R1.172 CCC1=CN=CC(CN)=C1 AT26760 [0,2,0,0,0,0|2,0,0]=4 263 B10R1.172 CNC1=CC=CC(CO)=C1 AT21038 [0,2,0,0,0,0|1,0,0]=3 264 B10R1.172 CNC1=NC=CC(OC)=N1 D74377 [0,2,0,0,0,0|1,0,0]=3 265 B10R1.172 COC1=CC=NC(CCl)=N1 D87573 [0,2,0,0,0,0|1,0,0]=3 266 B10R1.172 COC1=NC(CO)=NC=C1 D74725 [0,2,0,0,0,0|1,0,0]=3 267 B10R1.172 COC1=NC=CC(CBr)=C1 C71690 [0,2,0,0,0,0|0,0,0]=2 268 B10R1.172 OCC1=CC=CC(CF)=N1 D74579 [0,2,0,0,0,0|2,0,0]=4 269 B10R1.172 [C-]#[N+]C1=CC=CC(OC)=C1 AC9601 [0,2,0,0,0,0|1,0,1]=4 270 B10R1.176 CC1=C(Br)C=C(CN)C=C1 AC7764 [0,2,0,0,0,0|2,0,0]=4 271 B10R1.176 CC1=C(I)C=NC(C#N)=C1 AT18027 [0,2,0,0,0,0|0,0,1]=3 272 B10R1.176 CC1=CC(C#N)=NC=C1N AT18016 [0,2,0,0,0,0|0,0,1]=3 273 B10R1.176 CC1=CN=C(CCl)C=C1C F10376 [0,2,0,0,0,0|0,0,0]=2 274 B10R1.176 CC1=CN=C(CO)C=C1N AC4836 [0,2,0,0,0,0|1,0,0]=3 275 B10R1.176 CCC1=CC(C)=C(Br)C=N1 AT24017 [0,2,0,0,0,0|0,0,0]=2 276 B10R1.176 COC1=CC(Br)=C(N)C=N1 AT16300 [0,2,0,0,0,0|1,0,0]=3 277 B10R1.176 COC1=CC(I)=C(F)C=C1 79389 [0,2,0,0,0,0|2,0,0]=4 278 B10R1.176 COC1=CC(I)=C(N)C=N1 C10061 [0,2,0,0,0,0|1,0,0]=3 279 B10R1.176 COC1=NC(C)=C(F)C=C1 C74931 [0,2,0,0,0,0|2,0,0]=4 280 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [0,2,0,0,0,0|2,0,0]=4 281 B10R1.176 CSC1=CC(N)=C(N)C=C1 AT20962 [0,2,0,0,0,0|2,0,0]=4 282 B10R1.176 N#CC1=CC(F)=C(Br)C=N1 AC8542 [0,2,0,0,0,0|1,0,1]=4 283 B10R1.176 N#CC1=CC(N)=C(Cl)C=N1 AT24931 [0,2,0,0,0,0|1,0,1]=4 284 B10R1.176 NC1=C(Br)C=NC(CO)=C1 P13384 [0,2,0,0,0,0|1,0,0]=3 285 B10R1.176 NCC1=CC(Br)=C(I)C=C1 AT26930 [0,2,0,0,0,0|2,0,0]=4 286 B10R1.176 O=CC1=CC(Br)=C(F)C=N1 AT22892 [0,2,0,0,0,0|1,0,1]=4 287 B10R1.176 O=CC1=CC(Cl)=C(F)C=N1 AT23488 [0,2,0,0,0,0|1,0,1]=4 288 B10R1.176 OCC1=CC(Br)=C(F)C=N1 D73852 [0,2,0,0,0,0|1,0,0]=3 289 B10R1.176 OCC1=CC(Br)=C(I)C=C1 AT26048 [0,2,0,0,0,0|2,0,0]=4 290 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.176 OCC1=CC(O)=C(O)C=N1 F53447 [0,2,0,0,0,0|1,0,0]=3 292 B10R1.22 CC1=C(C)C(Cl)=NC(N)=C1 F18665 [0,2,0,0,0,0|1,0,0]=3 293 B10R1.22 CC1=CC(Br)=C(C)C(O)=C1 AT21284 [0,2,0,0,0,0|2,0,0]=4 294 B10R1.22 CC1=CC(Br)=CC(F)=C1F 97500 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.22 CC1=CC(Br)=CC(F)=C1O AT18860 [0,2,0,0,0,0|2,0,0]=4 296 B10R1.22 CC1=CC(F)=C(N)C(C)=C1 AT24271 [0,2,0,0,0,0|1,0,0]=3 297 B10R1.22 CC1=CC(F)=CC(Br)=C1I D77116 [0,2,0,0,0,0|2,0,0]=4 298 B10R1.22 CC1=CC(F)=CC(Br)=C1O AT20022 [0,2,0,0,0,0|2,0,0]=4 299 B10R1.22 CC1=CC(N)=C(N)C(N)=N1 C93239 [0,2,0,0,0,0|1,0,0]=3 300 B10R1.22 CC1=CN(C)C(=O)C(N)=C1 D75591 [0,2,0,0,0,0|2,0,0]=4 301 B10R1.22 CC1=NC(N)=NC(C)=C1O AT18377 [0,2,0,0,0,0|1,0,0]=3 302 B10R1.22 FC1=CC(F)=NC(F)=C1Br AC9728 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.22 FC1=CC(F)=NC(F)=C1Cl AC9510 [0,2,0,0,0,0|2,0,0]=4 304 B10R1.22 FC1=CC(F)=NC(F)=C1I E70117 [0,2,0,0,0,0|2,0,0]=4 305 B10R1.22 NC1=C(Cl)N=C(I)C=C1Cl AT17668 [0,2,0,0,0,0|2,0,0]=4 306 B10R1.119 CC1=C(Br)C=CC(N)=C1F C90849 [0,2,0,0,0,0|2,0,0]=4 307 B10R1.119 CC1=C(C)C(Br)=CNC1=O AT17057 [0,2,0,0,0,0|1,0,1]=4 308 B10R1.119 CC1=C(C)C(Cl)=C(N)C=C1 AC6300 [0,2,0,0,0,0|2,0,0]=4 309 B10R1.119 CC1=C(F)C=CC(F)=C1N AT24273 [0,2,0,0,0,0|2,0,0]=4 310 B10R1.119 CC1=C(N)C(C)=C(O)C=C1 D76683 [0,2,0,0,0,0|1,0,0]=3 311 B10R1.119 CC1=CC=C(F)C(Br)=C1N D96224 [0,2,0,0,0,0|2,0,0]=4 312 B10R1.119 CC1=NC=C(N)C(C)=C1C F53662 [0,2,0,0,0,0|0,0,0]=2 313 B10R1.119 FC1=C(Br)C(Cl)=C(Br)C=N1 C14442 [0,2,0,0,0,0|2,0,0]=4 314 B10R1.119 NC1=C(I)C=NC(Br)=C1I W15294 [0,2,0,0,0,0|2,0,0]=4 315 B10R1.119 NC1=C(N)C(Br)=NC=C1F CS2040 [0,2,0,0,0,0|2,0,0]=4 316 B10R1.119 NC1=NC=C(F)C(I)=C1F AT23212 [0,2,0,0,0,0|2,0,0]=4 317 B10R1.245 COC1=C(Br)C=CN=C1Br D76094 [0,2,0,0,0,0|2,0,0]=4 318 B10R1.245 COC1=C(Br)C=CN=C1Cl D76095 [0,2,0,0,0,0|2,0,0]=4 319 B10R1.245 COC1=C(O)C=CC=C1C AT19440 [0,2,0,0,0,0|2,0,0]=4 320 B10R1.245 N#CC1=C(Br)C=CN=C1N AT24065 [0,2,0,0,0,0|2,0,0]=4 321 B10R1.245 N#CC1=C(N)C=CN=C1Br AT24063 [0,2,0,0,0,0|2,0,0]=4 322 B10R1.245 NC1=NC=CC(Br)=C1C=O P19341 [0,2,0,0,0,0|2,0,0]=4 323 B10R1.245 [C-]#[N+]C1=C(C)N=CC=C1C D84799 [0,2,0,0,0,0|0,0,0]=2 324 B10R1.25 CC1=CC(Cl)=C(C=O)C=N1 AT24663 [0,2,0,0,0,0|1,0,0]=3 325 B10R1.25 CC1=CC(Cl)=C(CO)C=N1 AT24662 [0,2,0,0,0,0|1,0,0]=3 326 B10R1.25 CC1=NC(C)=C(CCl)C=C1 93160 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.25 CNC1=C(Br)C=C(C)N=N1 AT18441 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.25 COC1=C(Br)C=C(F)N=C1 H10310 [0,2,0,0,0,0|2,0,0]=4 329 B10R1.25 COC1=C(Br)C=C(N)N=C1 P18768 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.25 N#CC1=C(F)C=C(N)N=C1 AT15270 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.25 N#CC1=CN=C(Cl)C=C1N AT11358 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.25 O=CC1=CN=C(Cl)C=C1O AC9110 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.118 CC1=CC(Br)=C(Br)C=C1Cl D74819 [0,2,0,0,0,0|2,0,0]=4 334 B10R1.118 CC1=CC(Br)=C(I)C=C1N AT21945 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.118 CC1=CC(C)=C(O)C=C1O D76388 [0,2,0,0,0,0|1,0,0]=3 336 B10R1.118 CC1=CC(I)=C(N)C=C1Cl D77240 [0,2,0,0,0,0|2,0,0]=4 337 B10R1.118 CC1=CC(N)=C(S)C=C1C AT19660 [0,2,0,0,0,0|2,0,0]=4 338 B6R1.2 BrC1=CN=CO1 AT11056 [1,0,0,0,1,0|2,0,0]=4 339 B6R1.2 BrC1=COC=N1 AT11057 [1,0,0,0,1,0|2,0,0]=4 340 B6R1.2 FC1=NC=CN1 73631 [1,0,0,0,1,0|2,0,0]=4 341 B6R1.2 NC1=COC=C1 AC9528 [1,0,0,0,1,0|2,0,0]=4 342 B6R1.2 OC1=CC=CS1 AC4704 [1,0,0,0,1,0|2,0,0]=4