0 B9R1.6 CC(N)C1=CC=CC=N1 300972 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.2 COC1=CC=CC=C1 M03556 [1,0,0,0,0,0|2,0,0]=3 2 B8R1.2 NCC1=CC=CC=C1 098408 [1,0,0,0,0,0|1,0,1]=3 3 B8R1.2 [15NH2]CC1=CC=CC=C1 105185 [1,0,0,0,0,0|1,0,1]=3 4 B10R1.13 CN(C)C1=CC=C(N)C=C1 106160 [0,1,0,0,0,0|3,0,0]=4 5 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 064474 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 064485 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.13 O=S([O-])C1=CC=C(Br)C=C1 097856 [0,1,0,0,0,0|1,0,1]=3 8 B10R1.15 C=C(CC)C1=CC=CC=C1 319906 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.15 N#CN(N)C1=CC=CC=C1 184597 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.61 CC(F)C1=C(Br)C=CC=C1 035830 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.61 CS(=O)C1=C(Cl)C=CC=C1 064490 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.61 CS(=O)C1=C(F)C=CC=C1 064511 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.61 NC(=O)C1=NC=CC=C1F 094552 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.113 CC1=CC=CC(C(C)N)=C1 094296 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.113 CC1=CC=CC(S(C)=O)=C1 064559 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.113 CS(=O)C1=CC(Cl)=CC=C1 064493 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.113 CS(=O)C1=CC(F)=CC=C1 064508 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.113 CS(=O)C1=CC=CC(Br)=C1 064477 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.18 CC(=O)NC1=CC=CC=N1 433646 [0,0,0,0,0,1|2,0,0]=3 20 B9R1.1 CC1=CC=C(CS)C=C1 105406 [1,1,0,0,0,0|0,1,1]=4 21 B9R1.1 CNC1=CC=C(I)C=C1 045902 [1,1,0,0,0,0|2,0,0]=4 22 B9R1.2 CC1=CC=CC(CS)=C1 105403 [1,1,0,0,0,0|0,1,1]=4 23 B9R1.2 CSC1=CC=CC(S)=C1 037948 [1,1,0,0,0,0|2,0,0]=4 24 B9R1.8 COCC1=CC=NC=C1 097899 [1,1,0,0,0,0|1,0,1]=4 25 B9R1.8 O=C=NC1=CC=CC=N1 035957 [1,1,0,0,0,0|1,0,1]=4 26 B9R1.8 O=C=NC1=CC=NC=C1 098360 [1,1,0,0,0,0|1,0,1]=4 27 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 480957 [1,1,0,0,0,0|1,0,1]=4 28 B9R1.15 CC1=C(CS)C=CC=C1 105405 [1,1,0,0,0,0|0,1,1]=4 29 B9R1.15 CC1=CC=NC=C1C=O 065210 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.15 CSC1=C(S)C=CC=C1 037946 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.11 COC(=O)N1C=CC=C1 066140 [0,1,0,0,1,0|1,0,0]=3 32 B9R1.35 CC(=O)C1=CC(Cl)=CS1 033141 [0,1,0,0,1,0|2,0,0]=4 33 B9R1.35 CC1=CNC(C(=O)O)=C1 040049 [0,1,0,0,1,0|1,0,0]=3 34 B9R1.35 O=C(O)C1=CC(Cl)=CN1 237313 [0,1,0,0,1,0|1,0,0]=3 35 B9R1.41 CC1=C(C(N)=O)C=CS1 512236 [0,1,0,0,1,0|2,0,0]=4 36 B11R1.20 CC(=S)NC1=CC=C(F)C=C1 331457 [0,1,0,0,0,1|1,1,0]=4 37 B11R1.3 COC1=CC=C(S(=O)[O-])C=C1 097673 [0,2,0,0,0,0|1,0,1]=4 38 B11R1.3 COC1=CC=C(S(C)=O)C=C1 094784 [0,2,0,0,0,0|2,0,0]=4 39 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 075220 [0,2,0,0,0,0|1,0,0]=3 40 B11R1.21 CC(=O)C1=CC(O)=C(I)C=C1 105437 [0,2,0,0,0,0|1,0,0]=3 41 B11R1.21 CC1=C(C)C=C(S(C)=O)C=C1 064526 [0,2,0,0,0,0|2,0,0]=4 42 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 062746 [0,2,0,0,0,0|1,0,0]=3 43 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Br)C=C1 038130 [0,2,0,0,0,0|1,0,0]=3 44 B11R1.166 NC(=O)C1=C(F)C=C(N)C=C1 432306 [0,2,0,0,0,0|1,0,0]=3 45 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1N 068377 [0,2,0,0,0,0|2,0,0]=4 46 B11R1.53 COC1=C(S(C)=O)C=CC=C1 064503 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.156 CC1=CC=CC(Br)=C1C(=O)Cl 062788 [0,2,0,0,0,0|1,0,0]=3 48 B11R1.156 CS(=O)C1=C(Cl)C=CC=C1Cl 064531 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.156 NC(=O)C1=C(N)C=CC=C1Cl 094028 [0,2,0,0,0,0|1,0,0]=3 50 B11R1.156 O=[N+]([O-])C1=C(Br)C=CC=C1I 331049 [0,2,0,0,0,0|1,0,1]=4 51 B11R1.159 NC(=O)C1=C(N)C(Br)=CC=C1 237912 [0,2,0,0,0,0|1,0,0]=3 52 B11R1.159 O=C(Cl)C1=C(Cl)C(Br)=CC=C1 062764 [0,2,0,0,0,0|1,0,0]=3 53 B11R1.159 O=[N+]([O-])C1=C(Br)C(Cl)=CC=C1 222660 [0,2,0,0,0,0|1,0,1]=4 54 B11R1.159 O=[N+]([O-])C1=CC=CC(F)=C1I 237369 [0,2,0,0,0,0|1,0,1]=4 55 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F 093146 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.167 CC1=CC(S(C)=O)=C(C)C=C1 064521 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.167 NC(=O)C1=CC(N)=CC=C1Cl 314021 [0,2,0,0,0,0|1,0,0]=3 58 B11R1.167 O=C(Cl)C1=C(Br)C=CC(Cl)=C1 038135 [0,2,0,0,0,0|1,0,0]=3 59 B11R1.74 CC1=CC(C(=O)Cl)=CC(Br)=C1 062789 [0,2,0,0,0,0|1,0,0]=3 60 B11R1.74 CS(=O)C1=CC(Cl)=CC(Cl)=C1 064536 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.266 COC1=CC=CC(S(C)=O)=C1 064516 [0,2,0,0,0,0|2,0,0]=4 62 B11R2.1 IC1=NNC2=C1C=CC=C2 076340 [0,1,0,1,0,0|2,0,0]=4 63 B11R2.1 ON1N=NC2=C1C=CC=C2 M02875 [0,1,0,1,0,0|2,0,0]=4 64 B11R2.1 ON1N=NC2=CC=CC=C21 105380 [0,1,0,1,0,0|2,0,0]=4