0 B7R1.1 C#CC1=CC=CO1 AC9158 [0,0,0,0,0,0|1,0,1]=2 1 B7R1.1 CCC1=NNC=C1 D77034 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.1 CNC1=CN=CN1 57325 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.1 COC1=CNC=N1 AT24767 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.1 CSC1=NNC=C1 W10957 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.1 N#CC1=NSC=C1 F14136 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 NCC1=CC=NS1 C77431 [0,0,0,0,0,0|2,1,1]=4 7 B7R1.1 NCC1=CN=CO1 P10824 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.1 O=CC1=CC=NO1 C73163 [0,0,0,0,0,0|1,0,0]=1 9 B7R1.1 O=CC1=NNC=N1 C15565 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.1 O=CC1=NON=C1 D74167 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.1 O=CC1=NSN=C1 AT12124 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.1 O=C[C@@H]1CCCO1 98506 [0,0,0,0,0,0|0,0,4]=4 13 B7R1.1 O=C[C@@H]1CCCO1 98507 [0,0,0,0,0,0|0,0,4]=4 14 B6R1.2 BrC1=CN=CO1 AT11056 [1,0,0,0,0,0|2,0,0]=3 15 B6R1.2 BrC1=COC=N1 AT11057 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 FC1=NC=CN1 73631 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 NC1=COC=C1 AC9528 [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 O=C1C=COC1 D75288 [1,0,0,0,0,0|2,0,0]=3 19 B6R1.2 O=C1NC=CO1 C74434 [1,0,0,0,0,0|1,0,0]=2 20 B6R1.2 OC1=CC=CS1 AC4704 [1,0,0,0,0,0|0,1,1]=3 21 B6R1.2 SC1=NN=CO1 AT18825 [1,0,0,0,0,0|2,1,0]=4 22 B8R1.1 BrCC1=NC=C(Br)O1 87116 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.1 C#CC1=CC=C(F)S1 AT23390 [0,1,0,0,0,0|1,1,1]=4 24 B8R1.1 C=CC1=NN(C)C=C1 C91458 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.1 CC1=CC(C=O)=NS1 F14135 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.1 CC1=COC(C=O)=C1 P11782 [0,1,0,0,0,0|0,0,0]=1 27 B8R1.1 CC1=COC(CN)=C1 P11789 [0,1,0,0,0,0|1,0,1]=3 28 B8R1.1 CC1=COC(CN)=N1 72853 [0,1,0,0,0,0|2,0,1]=4 29 B8R1.1 CCC1=CC=C(N)S1 AT14665 [0,1,0,0,0,0|1,1,1]=4 30 B8R1.1 CCC1=NC=C(Br)O1 AT18672 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.1 CN1N=CC(C=O)=N1 AT25227 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.1 COC1=CC(Br)=CS1 P19567 [0,1,0,0,0,0|2,1,0]=4 33 B8R1.1 ClC1=CSC(CBr)=C1 AT16713 [0,1,0,0,0,0|1,1,1]=4 34 B8R1.1 FC1=CC=C(CBr)O1 55271 [0,1,0,0,0,0|1,0,1]=3 35 B8R1.1 N#CC1=CC(N)=NO1 AT19774 [0,1,0,0,0,0|2,0,1]=4 36 B8R1.1 NC1=NC=C(CO)O1 AT18684 [0,1,0,0,0,0|1,0,2]=4 37 B8R1.1 NCC1=CC(O)=NO1 D86836 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.1 NCC1=CC=C(Cl)O1 AT17313 [0,1,0,0,0,0|1,0,1]=3 39 B8R1.1 NCC1=NC=C(Br)O1 86227 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.1 O=C1C=C(CBr)ON1 D73595 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.1 O=C1C=C[C@H](CBr)O1 AC6821 [0,1,0,0,0,0|1,0,2]=4 42 B8R1.1 O=CC1=CC(Cl)=CN1 P10223 [0,1,0,0,0,0|1,0,0]=2 43 B8R1.1 O=CC1=CC(F)=CS1 D74660 [0,1,0,0,0,0|0,1,0]=2 44 B8R1.1 O=CC1=CC=C(F)S1 87160 [0,1,0,0,0,0|0,1,0]=2 45 B8R1.1 O=CC1=CN=C(Br)N1 AC9540 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.1 O=CC1=CNC(I)=C1 AC9285 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.1 O=CC1=NC(Br)=CN1 AT15314 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.1 OCC1=CC(F)=CS1 D74661 [0,1,0,0,0,0|0,1,2]=4 49 B8R1.1 OCC1=CC=C(Cl)O1 AC8965 [0,1,0,0,0,0|0,0,2]=3 50 B8R1.1 OCC1=CC=C(F)O1 55270 [0,1,0,0,0,0|0,0,2]=3 51 B8R1.1 SCC1=CC=C(Cl)O1 AT17318 [0,1,0,0,0,0|0,1,1]=3 52 B8R1.7 CC(=O)C1=NC=NO1 A10624 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.7 CC(=O)C1=NSC=C1 AT21125 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.7 C[C@H](N)C1=CN=CO1 AT18689 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.7 C[C@H](N)C1=CN=CO1 AT18691 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.7 O=C(O)C1=NN=CO1 D74898 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.7 O=C(O)[C@@H]1C=CCC1 E72837 [0,1,0,0,0,0|1,0,2]=4 58 B8R1.7 OB(O)C1=CN=CO1 D75573 [0,1,0,0,0,0|2,0,1]=4 59 B8R1.7 OB(O)C1=NC=CO1 AT24593 [0,1,0,0,0,0|2,0,1]=4 60 B8R1.8 N#CCC1=CN=CO1 AC7425 [0,1,0,0,0,0|2,0,1]=4 61 B8R1.8 NCCC1=CC=NO1 E73131 [0,1,0,0,0,0|2,0,1]=4 62 B8R1.8 NCCC1=CN=CO1 AT18734 [0,1,0,0,0,0|2,0,1]=4 63 B8R1.11 CC1=C(C=O)C=NO1 AT19886 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.11 CC1=C(C=O)SN=C1 AT21137 [0,1,0,0,0,0|1,1,0]=3 65 B8R1.11 CC1=NOC=C1C=O C77412 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.11 CC1=NON=C1C=O D74170 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.11 CN1C=NN=C1C=O D73389 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.11 COC1=C(Br)C=NO1 AT19729 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.11 NC1=C(C=O)OC=C1 D74825 [0,1,0,0,0,0|0,0,0]=1 70 B8R1.11 O=CC1=C(Br)C=NS1 D75843 [0,1,0,0,0,0|1,1,0]=3 71 B8R1.11 O=CC1=C(Cl)C=CN1 P10927 [0,1,0,0,0,0|1,0,0]=2 72 B8R1.11 O=CC1=C(Cl)C=CO1 AC2692 [0,1,0,0,0,0|0,0,0]=1 73 B8R1.11 O=CC1=C(F)C=CS1 D74567 [0,1,0,0,0,0|0,1,0]=2 74 B8R1.11 O=CC1=CSC=C1F AT17070 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.11 OCC1=C(F)C=CS1 AT22758 [0,1,0,0,0,0|0,1,2]=4 76 B8R1.2 CCC1=NC=CC=N1 D86044 [0,0,0,0,0,1|2,0,1]=4 77 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [0,0,0,0,0,1|2,0,1]=4 78 B7R1.2 BrC1=COC(Br)=N1 AT18462 [1,1,0,0,0,0|2,0,0]=4 79 B7R1.2 CC1=CC=C(N)S1 32908 [1,1,0,0,0,0|0,1,1]=4 80 B7R1.2 CC1=CN=C(Br)O1 F20659 [1,1,0,0,0,0|1,0,1]=4 81 B7R1.2 CC1=COC(Cl)=N1 AT18557 [1,1,0,0,0,0|2,0,0]=4 82 B7R1.2 CC1=NOC(Br)=C1 AT19745 [1,1,0,0,0,0|2,0,0]=4 83 B7R1.2 NC1=CC(Br)=NO1 D72556 [1,1,0,0,0,0|2,0,0]=4 84 B7R1.2 NC1=CC(F)=CS1 AT16866 [1,1,0,0,0,0|1,1,0]=4 85 B7R1.2 NC1=CC=C(N)N1 F52185 [1,1,0,0,0,0|2,0,0]=4 86 B7R1.2 NC1=CSC(Br)=C1 P11848 [1,1,0,0,0,0|1,1,0]=4 87 B7R1.2 NC1=NC=C(Br)O1 D76175 [1,1,0,0,0,0|2,0,0]=4 88 B7R1.4 CC1=C(Br)N=CO1 AT18589 [1,1,0,0,0,0|1,0,1]=4 89 B7R1.4 CC1=C(Br)N=CO1 AT26832 [1,1,0,0,0,0|1,0,1]=4 90 B7R1.4 CC1=C(Br)OC=N1 AT18669 [1,1,0,0,0,0|2,0,0]=4 91 B7R1.4 CC1=C(Br)OC=N1 AT18693 [1,1,0,0,0,0|2,0,0]=4 92 B7R1.4 CC1=C(N)C=CS1 86771 [1,1,0,0,0,0|0,1,1]=4 93 B7R1.4 CC1=C(N)C=CS1 AT25979 [1,1,0,0,0,0|0,1,1]=4 94 B7R1.4 CC1=C(O)C=CS1 AT26691 [1,1,0,0,0,0|0,1,1]=4 95 B7R1.4 FC1=C(Br)SC=C1 AT16344 [1,1,0,0,0,0|1,1,0]=4 96 B7R1.4 NC1=C(Br)C=NO1 AT19727 [1,1,0,0,0,0|2,0,0]=4 97 B7R1.4 NC1=C(Br)SC=C1 AT14950 [1,1,0,0,0,0|1,1,0]=4 98 B9R1.1 O=CC1=NC=C(O)C=N1 H11149 [0,1,0,0,0,1|1,0,0]=3 99 B9R1.2 O=CC1=CN=CC(F)=N1 P13899 [0,1,0,0,0,1|1,0,0]=3 100 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [0,1,0,0,0,1|2,0,0]=4 101 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [0,1,0,0,0,1|2,0,0]=4 102 B9R1.6 NC(=S)C1=NN=CC=C1 O12058 [0,1,0,0,0,1|1,1,0]=4 103 B9R1.6 O=C(O)C1=NC=NN=C1 D73602 [0,1,0,0,0,1|2,0,0]=4 104 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [0,1,0,0,0,1|2,0,0]=4 105 B9R1.8 O=C=NC1=CC=NC=C1 AC6649 [0,1,0,0,0,1|1,0,1]=4 106 B9R1.15 CC1=C(C=O)C=NN=C1 AT10311 [0,1,0,0,0,1|2,0,0]=4 107 B9R1.15 CC1=CC=NN=C1C=O AT10310 [0,1,0,0,0,1|1,0,0]=3 108 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [0,1,0,0,0,1|1,0,0]=3 109 B9R1.15 O=CC1=C(F)C=CN=C1 P10446 [0,1,0,0,0,1|1,0,0]=3 110 B9R1.15 O=CC1=NC=CN=C1F P13900 [0,1,0,0,0,1|1,0,0]=3 111 B9R1.7 N#CCC1=CC=C(Cl)O1 AC9281 [0,2,0,0,0,0|1,0,1]=4 112 B9R1.7 [C-]#[N+]CC1=CC=C(C)O1 AC9057 [0,2,0,0,0,0|1,0,1]=4 113 B9R1.21 C=CC1=CC(OC)=NO1 AT19569 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.21 N#CC1=NC(C=O)=CS1 D75278 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.21 N#CC1=NC=C(C=O)S1 D75279 [0,2,0,0,0,0|1,1,0]=4 116 B9R1.22 CC1=CN(C)N=C1C=O AT14213 [0,2,0,0,0,0|2,0,0]=4 117 B9R1.22 CC1=NC(Cl)=C(C=O)N1 AT26175 [0,2,0,0,0,0|2,0,0]=4 118 B9R1.22 CN1N=C(Br)C=C1C=O 97705 [0,2,0,0,0,0|2,0,0]=4 119 B9R1.23 CN1N=C(C=O)C=C1Br AT24034 [0,2,0,0,0,0|2,0,0]=4 120 B9R1.35 CC(=O)C1=CC(Br)=CO1 AT15600 [0,2,0,0,0,0|0,0,0]=2 121 B9R1.35 CC(=O)C1=CC(N)=NN1 P14350 [0,2,0,0,0,0|2,0,0]=4 122 B9R1.35 CC(=O)C1=CNC(Br)=C1 AC9410 [0,2,0,0,0,0|2,0,0]=4 123 B9R1.35 CC1=CC(C(=O)O)=CO1 AT17486 [0,2,0,0,0,0|2,0,0]=4 124 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96335 [0,2,0,0,0,0|1,0,1]=4 125 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96391 [0,2,0,0,0,0|1,0,1]=4 126 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12181 [0,2,0,0,0,0|1,0,1]=4 127 B9R1.35 CC1=COC(C(=O)O)=C1 P12603 [0,2,0,0,0,0|0,0,0]=2 128 B9R1.35 CC1=COC(C(=O)O)=N1 94252 [0,2,0,0,0,0|1,0,0]=3 129 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 E72737 [0,2,0,0,0,0|1,0,1]=4 130 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11514 [0,2,0,0,0,0|1,0,1]=4 131 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11522 [0,2,0,0,0,0|1,0,1]=4 132 B9R1.35 NC1=CSC(C(=O)[O-])=N1 D77136 [0,2,0,0,0,0|1,1,0]=4 133 B9R1.35 NC1=NN=C(C(=O)[O-])O1 AT24497 [0,2,0,0,0,0|2,0,0]=4 134 B9R1.35 O=C(O)C1=CC(Cl)=NS1 AT21207 [0,2,0,0,0,0|1,1,0]=4 135 B9R1.35 O=C(O)C1=CC(F)=NN1 E72836 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.35 O=C(O)C1=COC(Cl)=C1 AT17316 [0,2,0,0,0,0|2,0,0]=4 137 B9R1.35 O=C(O)C1=CSC(F)=C1 P10264 [0,2,0,0,0,0|2,0,0]=4 138 B9R1.35 O=C(O)C1=NC(Br)=CN1 AT15621 [0,2,0,0,0,0|2,0,0]=4 139 B9R1.35 O=C(O)C1=NSC(Br)=C1 AT21100 [0,2,0,0,0,0|2,0,0]=4 140 B9R1.35 O=C(O)C1=NSC(I)=C1 AT21162 [0,2,0,0,0,0|2,0,0]=4 141 B9R1.35 OB(O)C1=CC=C(F)O1 AC8605 [0,2,0,0,0,0|1,0,1]=4 142 B9R1.132 O=CC1=C(Cl)C(Cl)=NS1 AT21246 [0,2,0,0,0,0|1,1,0]=4 143 B9R1.19 NS(=O)(=O)C1=CC=CO1 AT22943 [0,2,0,0,0,0|1,0,0]=3 144 B9R1.41 O=C(O)C1=C(Br)C=NS1 AT21094 [0,2,0,0,0,0|1,1,0]=4 145 B9R1.41 O=C(O)C1=CSC=C1F AT16774 [0,2,0,0,0,0|2,0,0]=4 146 B9R1.41 O=C(O)C1=NOC=C1Br AT19731 [0,2,0,0,0,0|2,0,0]=4 147 B9R1.41 O=C(O)C1=NSC=C1Br AT21160 [0,2,0,0,0,0|2,0,0]=4 148 B9R1.41 O=[N+]([O-])C1=C(Cl)C=CS1 D86068 [0,2,0,0,0,0|1,1,0]=4 149 B9R1.14 C#CC1=C(C=O)SC=C1 AT16721 [0,2,0,0,0,0|0,1,0]=3 150 B7R1.3 SC1=CN=CC=C1 AT26584 [0,0,1,1,0,0|1,1,0]=4 151 B9R2.3 C1=CC2=C(C=NN2)S1 87594 [0,1,0,1,0,0|1,1,0]=4 152 B9R2.3 C1=CC2=C(N=CS2)N1 AT19939 [0,1,0,1,0,0|1,1,0]=4