0 B11R1.41 COC1=C(N=C=O)C=CC=C1 PHBB_SC-08394 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.41 COC1=CC=CC=C1CCN PHBB_NC-01950 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.41 COC1=CC=CC=C1N=C=S PHBB_SC-01411 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.41 N#CCC1=C(C#N)C=CC=C1 PHBB_SC-03439 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.4 C=CCC1=CC=CC=C1O PHBB_SC-00690 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.4 O\N=C\C1=CC=CC=C1O PHBB_SC-04004 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.20 COC1=CC=CC=C1CN PHBB_SC-04651 [1,0,0,0,0,0|0,0,0]=1 7 B10R1.20 COC1=NC=CC=C1C#N PHBB_SC-05383 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.20 N#CC1=CC=CC=C1CBr PHBB_SC-03436 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.75 COC1=CC=CC=C1CC(C)=O PHBB_NC-02988 [0,1,0,0,0,0|1,0,1]=3 10 B12R1.77 COC(=O)C1=C(OC)C=CC=C1 PHBB_SC-04927 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.77 COC1=C(\C(N)=N\O)C=CC=C1 PHBB_SC-11986 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.121 COC1=C(OCCN)C=CC=C1 PHBB_SC-01872 [0,1,0,0,0,0|0,0,0]=1 13 B12R1.121 N#CC1=CC=CN=C1OCCN PHBB_SC-12197 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.268 COC1=C(N=C=S)C=C(Cl)C=C1 PHBB_SC-01419 [0,1,0,0,0,0|2,0,1]=4 15 B12R2.24 NC1=NC2=CC=CC=C2SC1 PHBB_SC-09633 [0,0,0,1,0,0|1,1,1]=4 16 B12R2.41 C1=CN=C2OCCNCC2=C1 PHBB_SC-12195 [0,0,0,1,0,0|3,0,0]=4 17 B12R2.315 COC1=CC=CC2=C1C=CN2 PHBB_NC-02985 [0,0,0,1,0,0|0,0,2]=3 18 B12R2.1081 O=C1CCCC2=C1C=CC=C2 PHBB_SC-00363 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.8 BrCCC1=CC=CC=C1 PHBB_SC-05006 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.8 CCNC1=CC=CC=C1 PHBB_SC-05020 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.8 CNCC1=CC=CC=C1 PHBB_SC-04966 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.8 COCC1=CC=CC=C1 PHBB_SC-05053 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.8 ClCCC1=CC=CC=C1 PHBB_SC-03435 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.8 NCCC1=CC=NC=C1 PHBB_SC-10402 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.8 NNCC1=CC=CC=C1 PHBB_SC-04682 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.8 OCCC1=NC=CC=C1 PHBB_SC-11012 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.15 CC1=CC=CC=C1CCl PHBB_SC-05038 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.15 CC1=CC=CC=C1NN PHBB_SC-04450 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.15 CNC1=C(N)C=CC=N1 PHBB_SC-09833 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.15 COC1=C(N)C=CC=N1 PHBB_SC-05480 [2,0,0,0,0,0|1,0,0]=3 31 B9R1.15 ClCC1=C(Cl)C=CC=C1 PHBB_SC-04952 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.15 N#CC1=C(N)C=CC=C1 PHBB_SC-03429 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.15 N#CC1=C(O)C=CC=C1 PHBB_SC-02944 [2,0,0,0,0,0|0,0,2]=4 34 B9R1.15 NC1=C(CO)C=CC=C1 PHBB_SC-07959 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.15 NCC1=C(Cl)C=CC=C1 PHBB_SC-05007 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.15 NCC1=C(F)C=CC=C1 PHBB_SC-03473 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.15 NNC1=C(Br)C=CC=C1 PHBB_SC-01898 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.15 NNC1=CC=CC=C1F PHBB_SC-08248 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.15 O=CC1=C(O)C=CC=C1 PHBB_SC-06217 [2,0,0,0,0,0|1,0,1]=4 40 B11R1.17 NC1=C(OCCO)C=CC=C1 PHBB_SC-06057 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.86 NC(=S)NC1=CC=CC=C1O PHBB_SC-04233 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 PHBB_SC-12269 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 PHBB_SC-04955 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 PHBB_SC-00034 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.53 COC1=C(C(=O)O)C=CC=C1 PHBB_SC-12215 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.265 COC1=CC=CC(F)=C1C#N PHBB_SC-07147 [1,1,0,0,0,0|0,0,2]=4 47 B13R1.91 COC1=C(NC(=O)CN)C=CC=C1 PHBB_SC-05511 [0,2,0,0,0,0|0,0,1]=3 48 B13R1.84 CNCCOC1=C(OC)C=CC=C1 PHBB_NC-02113 [0,2,0,0,0,0|0,0,0]=2 49 B13R1.90 COC1=C(NCC(=O)O)C=CC=C1 PHBB_SC-04521 [0,2,0,0,0,0|1,0,1]=4 50 B13R1.90 COC1=C(OCC(=O)O)C=CC=C1 PHBB_NC-02115 [0,2,0,0,0,0|1,0,1]=4 51 B11R2.20 C1=CC2=C(C=C1)CNCC2 PHBB_NC-02990 [1,0,0,1,0,0|0,0,0]=2 52 B11R2.20 C1=CC=C2NCCCC2=C1 PHBB_SC-08476 [1,0,0,1,0,0|2,0,0]=4 53 B11R2.106 CC1=CC=CC2=C1C=CN2 PHBB_SC-04443 [1,0,0,1,0,0|0,0,2]=4 54 B11R2.106 OC1=C2C=CNC2=CC=C1 PHBB_SC-01424 [1,0,0,1,0,0|0,0,2]=4 55 B13R2.1613 NCC1OCCC2=C1C=CC=C2 PHBB_SC-07135 [0,1,0,1,0,0|1,0,0]=3 56 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 PHBB_SC-07875 [0,1,0,1,0,0|2,0,0]=4 57 B13R2.1 NCCC1=CNC2=CC=CC=C12 PHBB_NC-02656 [0,1,0,1,0,0|1,0,1]=4 58 B13R2.1 NCCC1=CNC2=CC=CC=C12 PHBB_NC-03568 [0,1,0,1,0,0|1,0,1]=4 59 B13R2.1 NCCN1C=CC2=C1C=CC=C2 PHBB_SC-06571 [0,1,0,1,0,0|1,0,1]=4 60 B13R2.1 NCCN1C=NC2=C1C=CC=C2 PHBB_SC-10096 [0,1,0,1,0,0|1,0,1]=4 61 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 PHBB_SC-11478 [0,1,0,1,0,0|1,0,1]=4 62 B13R2.45 CN1C2=CC=CC=C2N=C1CN PHBB_SC-06411 [0,1,0,1,0,0|1,0,1]=4 63 B13R2.135 CO[C@@H]1C2=C(C=CC=C2)C[C@H]1O PHBB_NC-01135 [0,1,0,1,0,0|1,0,0]=3 64 B9R1.33 CC1=CC=NN1CCN PHBB_SC-07633 [1,0,0,0,1,0|2,0,0]=4 65 B9R1.33 CC1=NC=CN1CCN PHBB_SC-11527 [1,0,0,0,1,0|2,0,0]=4