0 B9R1.6 CN(C)C1=CC=CC=C1 D95371 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.6 CN(C)C1=CC=CN=C1 N12098 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 CN(N)C1=CC=CC=C1 Y14873 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.6 CP(C)C1=CC=CC=C1 D90262 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 C[C@H](N)C1=NC=CC=C1 90515 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.6 O=C(Cl)C1=CN=CN=C1 S11745 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 O=C([O-])C1=NC=CC=C1 D91960 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 O=[Se](O)C1=CC=CC=C1 D88899 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.2 BrCC1=NC=CC=C1 D87709 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.2 C=CC1=NC=CC=C1 91716 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.2 CCC1=CC=CN=C1 D87724 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.2 CCC1=NC=CC=C1 AT23190 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.2 COC1=CCC=CC1 78369 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.2 ICC1=CN=CC=C1 AC6646 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 AC1305 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.13 CC1=CN=C(C(=N)N)C=N1 S11023 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.13 CC1=CN=C(C(=O)O)C=C1 23539 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 34960 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 D87634 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.13 O=C(O)C1=CN=C(S)C=C1 N12019 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.13 O=C1C=CC(C(=O)O)=CN1 P10104 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.13 O=C1C=NC(C(=O)[O-])=CN1 C12925 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.13 O=C1CC=C(C(=O)O)N=N1 O11625 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.13 O=[N+]([O-])C1=CN=C(S)C=C1 AT20605 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.15 CN[C@@H](C)C1=NC=CC=C1 F52397 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.15 COC(=N)C1=NC=CC=C1 77277 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.15 C\C(=N/N)C1=CC=CC=C1 I11141 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.15 C\C(=N\O)C1=CN=CC=C1 31313 [0,1,0,0,0,0|1,0,1]=3 29 B10R1.15 O=C(CBr)C1=NC=CC=C1 S10662 [0,1,0,0,0,0|1,0,0]=2 30 B10R1.15 O=C(CCl)C1=NC=CC=C1 H11612 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.28 FC(F)(F)C1=NC=CN=C1 F11354 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.28 O=S(=O)([O-])C1=CN=CC=C1 D91985 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.61 C=C(C)C1=C(C)C=CC=C1 D91121 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.61 CC1=CC=CN=C1[C@H](C)N F16866 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.61 NC(=O)C1=CC=CN=C1F 26317 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.61 NC(=O)C1=NC=CC=C1O D90953 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.61 NC1=CC=CN=C1C(=O)O O10945 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 I10233 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 CL0204 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.61 O=C(O)C1=C(F)C=CC=N1 AC3521 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.61 O=C(O)C1=CC=CN=C1S F14851 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.61 O=C(O)C1=NC=CNC1=O FD9125 [0,1,0,0,0,0|1,0,1]=3 43 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D91263 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.61 O=C([O-])C1=C([S-])C=CC=C1 H10793 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.61 O=[N+]([O-])C1=C(O)N=CC=C1 37243 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.113 C=C(C)C1=CC=CC(I)=C1 D86695 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 C91518 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.113 NC1=CC(C(=O)O)=NC=C1 AC1887 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.113 NC1=CC([N+](=O)[O-])=CN=C1 S11517 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.113 NC1=CC=CC(C(=O)[O-])=C1 D88239 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.113 O=C(Cl)C1=CC=CC(I)=C1 D91195 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.113 O=C([O-])C1=CC(O)=CC=C1 D90821 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.113 O=C([O-])C1=CC=CC(F)=C1 CK1073 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.7 C=C(C)C1=CC=CO1 AC1466 [0,0,0,0,1,0|2,0,0]=3 55 B8R1.7 C=C(C)C1=CC=CS1 AC1467 [0,0,0,0,1,0|2,0,0]=3 56 B8R1.7 CC(=O)C1=CCC=C1 77833 [0,0,0,0,1,0|1,0,0]=2 57 B8R1.7 CC(C)C1=NNC=N1 AT12264 [0,0,0,0,1,0|2,0,1]=4 58 B8R1.7 CC(C)N1C=NC=N1 81670 [0,0,0,0,1,0|2,0,1]=4 59 B8R1.7 C[C@H](O)C1=CC=CO1 F17602 [0,0,0,0,1,0|1,0,2]=4 60 B8R1.7 NC(=O)C1=CC=NN1 AT10771 [0,0,0,0,1,0|2,0,0]=3 61 B8R1.7 NC(=S)C1=CSC=C1 A10484 [0,0,0,0,1,0|2,1,0]=4 62 B8R1.7 O=C(Cl)C1=CSC=C1 AT17064 [0,0,0,0,1,0|2,0,0]=3 63 B8R1.7 O=C(Cl)C1=NC=CS1 78817 [0,0,0,0,1,0|2,0,0]=3 64 B8R1.7 O=C(O)C1=CC=NN1 W10252 [0,0,0,0,1,0|2,0,0]=3 65 B8R1.7 O=C(O)C1=CN=CN1 VT1381 [0,0,0,0,1,0|1,0,1]=3 66 B8R1.7 O=C(O)C1=NN=CC1 D87014 [0,0,0,0,1,0|2,0,1]=4 67 B8R1.7 O=C([O-])C1=CC=CS1 D80257 [0,0,0,0,1,0|2,0,0]=3 68 B8R1.7 O=C([O-])C1=NN=CS1 D81449 [0,0,0,0,1,0|3,0,0]=4 69 B10R1.18 CC(=O)CC1=NC=CN=C1 P10609 [0,0,0,0,0,1|0,0,0]=1 70 B10R1.18 C[C@H](N)CC1=CC=CN=C1 S12145 [0,0,0,0,0,1|2,0,1]=4 71 B7R0.4 C\C=C\C=C\C(C)=O D90780 [1,0,1,0,0,0|1,0,0]=3 72 B7R1.3 CC1=CCC=CC1 D91336 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.1 CCC1=CN=C(C)C=C1 D88165 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.1 CNC1=CN=C(Br)C=N1 N10144 [1,1,0,0,0,0|1,0,0]=3 75 B9R1.1 O=CC1=CN=C(O)C=C1 BL005396 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.2 CNC1=CC=CC(Br)=N1 AT21378 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.2 COC1=CC(I)=CN=C1 D77741 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.2 CSC1=CC(Br)=CN=C1 71759 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.8 CNCC1=NC=CN=C1 P10399 [1,1,0,0,0,0|0,0,1]=3 80 B9R1.8 CSCC1=CN=CC=C1 E72352 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.8 C\C=C/C1=CC=CC=C1 D91456 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.8 C\C=C\C1=CC=CC=C1 H10852 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.8 ClCCC1=NC=CC=C1 D83590 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.8 O\N=C\C1=NC=CC=C1 W16238 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.15 COC1=CC=CN=C1I D73279 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.15 COC1=NC=CN=C1I H10462 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.15 O=CC1=CC=CNC1=O 34796 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.11 CCC(=O)C1=CC=CO1 N11989 [0,1,0,0,1,0|1,0,0]=3 89 B9R1.11 COC(=N)C1=CC=CS1 77279 [0,1,0,0,1,0|2,0,0]=4 90 B9R1.11 COC(=O)C1=CC=NO1 F53681 [0,1,0,0,1,0|1,0,0]=3 91 B9R1.11 COC(=O)C1=CN=CN1 P10322 [0,1,0,0,1,0|0,0,1]=3 92 B9R1.11 COC(=O)N1C=CC=C1 F14789 [0,1,0,0,1,0|2,0,0]=4 93 B9R1.35 CC1=CC=C(C(=O)Cl)S1 AT16715 [0,1,0,0,1,0|2,0,0]=4 94 B9R1.35 NC1=NC=C(C(=O)O)O1 AT18681 [0,1,0,0,1,0|2,0,0]=4 95 B9R1.35 O=C(O)C1=CN=C(Cl)O1 F53663 [0,1,0,0,1,0|2,0,0]=4 96 B9R1.35 O=C(O)C1=CN=C(S)N1 Y10788 [0,1,0,0,1,0|1,0,1]=4 97 B9R1.35 O=C([O-])C1=NC(Br)=CS1 AT14696 [0,1,0,0,1,0|2,0,0]=4 98 B9R1.41 CC(=O)C1=C(Br)SC=C1 D82739 [0,1,0,0,1,0|1,0,0]=3 99 B9R1.41 CC(=O)C1=C(C)N=CS1 83699 [0,1,0,0,1,0|1,0,0]=3 100 B9R1.41 CC(=O)C1=C(Cl)C=CS1 29879 [0,1,0,0,1,0|1,0,0]=3 101 B9R1.41 CC1=C(C(=O)O)N=CN1 S10285 [0,1,0,0,1,0|1,0,1]=4 102 B9R1.41 CC1=C(C(N)=O)C=NO1 AC2086 [0,1,0,0,1,0|2,0,0]=4 103 B9R1.41 CC1=C(C(N)=O)SC=C1 30332 [0,1,0,0,1,0|2,0,0]=4 104 B9R1.41 CC1=NNN=C1C(=O)O 73059 [0,1,0,0,1,0|2,0,0]=4 105 B9R1.41 CN1C=CN=C1C(=O)[O-] AT15611 [0,1,0,0,1,0|1,0,1]=4 106 B9R1.41 NC(=O)C1=C(Br)C=CS1 AC6815 [0,1,0,0,1,0|2,0,0]=4 107 B9R1.41 NC(=O)C1=C(N)ON=C1 AT19818 [0,1,0,0,1,0|2,0,0]=4 108 B9R1.41 O=C(Cl)C1=C(Br)C=CS1 29708 [0,1,0,0,1,0|2,0,0]=4 109 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 57596 [0,1,0,0,1,0|2,0,0]=4 110 B9R1.41 O=C(O)C1=C(Br)SN=C1 92993 [0,1,0,0,1,0|2,0,0]=4 111 B9R1.41 O=C(O)C1=C(I)C=CS1 N10453 [0,1,0,0,1,0|2,0,0]=4 112 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 D91021 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 D88481 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 78670 [0,1,0,0,0,1|1,0,0]=3 115 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 T71190 [0,1,0,0,0,1|1,0,0]=3 116 B11R1.20 CC(C)OC1=CN=C(Br)C=N1 75466 [0,1,0,0,0,1|1,0,1]=4 117 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 O10485 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 N12425 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 F13223 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.157 CC(=O)OC1=CC=CC(Br)=C1 76449 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.3 C=CC1=CC=C(C(C)=O)C=C1 E72714 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.19 CS(=O)(=O)C1=NC=C(N)C=C1 36137 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.21 CC(=O)C1=NC(C)=C(C)N=C1 D82539 [0,2,0,0,0,0|0,0,0]=2 124 B11R1.22 COC(=O)C1=CNC(=N)N=C1 W16683 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.22 COC(=O)C1=CNC(=O)C=C1 AB9697 [0,2,0,0,0,0|1,0,1]=4 126 B11R1.22 COC(=O)C1=CNC(=O)C=N1 W16685 [0,2,0,0,0,0|0,0,1]=3 127 B11R1.22 [CH2]C1=CC=C(C(=O)OC)C=C1 D77411 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.166 CC(=O)C1=C(C)N=C(N)N=C1 31240 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.166 O=C(Cl)C1=CC=C(Cl)N=C1Cl F17508 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.16 CNOC(=O)C1=CC=CC=C1 T70697 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.23 COC(=O)C1=CC=CC(=O)N1 I12009 [0,2,0,0,0,0|1,0,1]=4 132 B11R1.23 COC(=O)C1=CC=CC(S)=C1 W12829 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 79687 [0,2,0,0,0,0|1,0,0]=3 134 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 AB3942 [0,2,0,0,0,0|1,0,0]=3 135 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 C78269 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 F13138 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.222 CNC(=O)C1=NC=CC=C1C D75083 [0,2,0,0,0,0|1,0,0]=3 138 B11R1.222 COC(=O)C1=CC=CN=C1I 78871 [0,2,0,0,0,0|1,0,0]=3 139 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 C77949 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.222 NCC(=O)C1=C(O)C=CC=C1 C78267 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.155 CS(=O)(=O)C1=NC=CC(N)=C1 30481 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.53 CNC1=C(C(=O)O)C=CC=N1 AC7951 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.53 CSC1=C(C(C)=O)C=CC=C1 S10954 [0,2,0,0,0,0|2,0,0]=4 144 B11R1.156 O=C(O)C1=C(Cl)C=CN=C1Br 55288 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 53049 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.167 CC1=CC=C(O)N=C1C(=O)O 86251 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.167 CN(C)C1=C(N)N=CC(Br)=N1 23954 [0,2,0,0,0,0|2,0,0]=4 148 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=N1 AT23576 [0,2,0,0,0,0|2,0,0]=4 149 B11R1.266 CC(=O)C1=CC=CC(CCl)=C1 57594 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.266 CNC1=CC(C(=O)O)=CN=C1 30494 [0,2,0,0,0,0|2,0,0]=4 151 B7R1.1 CCC1=CC=CN1 D90555 [1,0,0,0,1,0|0,0,2]=4 152 B7R1.1 COC1=CC=CO1 F10347 [1,0,0,0,1,0|2,0,0]=4 153 B7R1.1 CSC1=CC=CS1 77890 [1,0,0,0,1,0|2,0,0]=4 154 B7R1.1 O=CC1=CC=NN1 O10411 [1,0,0,0,1,0|1,0,0]=3