0 B11R1.40 COC(=O)CC1=CC=CC=C1 PHBB_SC-08463 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 PHBB_NC-02003 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.40 N\C(CC1=CC=CC=C1)=N/O PHBB_SC-06055 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 PHBB_SC-01477 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 BrCCCC1=CC=CC=C1 PHBB_SC-08397 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 CCCNC1=CC=CC=C1 PHBB_SC-00131 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.17 CCNCC1=CC=CC=C1 PHBB_SC-05041 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 CNCCC1=NC=CC=C1 PHBB_SC-02540 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.17 NCCCC1=CC=CC=C1 PHBB_NC-02946 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 NCCOC1=CC=CC=C1 PHBB_SC-08509 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 NCCSC1=CC=CC=C1 PHBB_SC-09180 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 OCCNC1=CC=CC=C1 PHBB_SC-05134 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 OCCOC1=CC=CC=C1 PHBB_SC-01850 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 S=C=NCC1=CC=CC=C1 PHBB_SC-04723 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.18 N=C(N)CC1=CC=CC=C1 PHBB_SC-08622 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.18 NC(=S)NC1=CC=CC=C1 PHBB_SC-04815 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.18 O=C(Cl)CC1=CC=CC=C1 PHBB_SC-04855 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.32 CN(CC#N)CC1=CC=CC=C1 PHBB_SC-09013 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 PHBB_NC-01733 [0,1,0,0,0,0|0,0,0]=1 19 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 PHBB_NC-02032 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl PHBB_SC-08421 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 PHBB_NC-02068 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 PHBB_SC-08935 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 PHBB_SC-08710 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.118 COC(CC1=CC=CC=C1)OC PHBB_SC-05116 [0,1,0,0,0,0|1,0,0]=2 25 B12R1.194 CC(C)(CN)NC1=CC=CC=C1 PHBB_SC-09274 [0,1,0,0,0,0|3,0,0]=4 26 B12R2.18 CN1C(Cl)=NC2=C1C=CC=C2 PHBB_SC-11292 [0,0,0,1,0,0|2,0,1]=4 27 B12R2.32 NCC1CC2=CC=CC=C2O1 PHBB_SC-07229 [0,0,0,1,0,0|3,0,0]=4 28 B12R2.32 OCC1CC2=CC=CC=C2O1 PHBB_SC-01602 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.15 CCC(=O)C1=CC=CC=C1 PHBB_SC-08413 [0,0,0,0,1,0|2,0,1]=4 30 B10R1.15 COC(=O)C1=CC=CC=C1 PHBB_SC-05154 [0,0,0,0,1,0|2,0,1]=4 31 B12R1.27 COC(=O)CNC1=CC=CC=C1 PHBB_SC-11456 [0,0,0,0,0,1|2,0,1]=4 32 B9R1.8 BrCCC1=CC=CC=C1 PHBB_SC-05006 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.8 CCNC1=CC=CC=C1 PHBB_SC-05020 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.8 CNCC1=CC=CC=C1 PHBB_SC-04966 [2,0,0,0,0,0|0,0,0]=2 35 B9R1.8 CNCC1=CC=CC=N1 PHBB_SC-10921 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.8 COCC1=CC=CC=C1 PHBB_SC-05053 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.8 ClCCC1=CC=CC=C1 PHBB_SC-03435 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.8 NCCC1=CC=NC=C1 PHBB_SC-10402 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.8 NNCC1=CC=CC=C1 PHBB_SC-04682 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.8 OCCC1=NC=CC=C1 PHBB_SC-11012 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.1 CCCCC1=CC=C(N)C=C1 PHBB_SC-05042 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.1 CCCOC1=CC=C(O)C=C1 PHBB_SC-04680 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.16 CCCC(=O)C1=CC=CC=C1 PHBB_SC-08436 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.28 CCCCCC1=CC=CC=N1 PHBB_NC-00788 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.28 CNCCOC1=CC=CC=C1 PHBB_SC-05505 [1,1,0,0,0,0|0,0,0]=2 46 B11R1.28 NCCCNC1=CC=CC=C1 PHBB_SC-08510 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.28 NCCNCC1=CC=CC=C1 PHBB_SC-11016 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.28 NCCOCC1=CC=CC=C1 PHBB_SC-11922 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.28 OCCNCC1=CC=CC=C1 PHBB_SC-04015 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.28 S=C=NCCC1=CC=CC=C1 PHBB_NC-03318 [1,1,0,0,0,0|0,0,2]=4 51 B11R1.91 CC(=O)CCC1=CC=CC=C1 PHBB_SC-04990 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.91 CC(N)CCC1=CC=CC=C1 PHBB_NC-02029 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.91 O=C(O)CCC1=CC=CC=C1 PHBB_NC-02947 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.20 CC(C)OC1=CC=C(N)C=C1 PHBB_SC-10400 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 PHBB_NC-02045 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 PHBB_SC-08709 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 PHBB_SC-05055 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 PHBB_SC-05325 [0,1,0,0,1,0|1,0,1]=4 59 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 PHBB_SC-05330 [0,1,0,0,1,0|1,0,1]=4 60 B11R1.222 CNC(=O)C1=CC=CC=C1O PHBB_SC-00439 [0,1,0,0,1,0|1,0,1]=4 61 B13R1.42 CNCC(=O)NCC1=CC=CC=C1 PHBB_SC-03831 [0,1,0,0,0,1|1,0,1]=4 62 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 PHBB_NC-02084 [0,1,0,0,0,1|1,0,1]=4 63 B13R1.417 CC[C@H](CO)NCC1=CC=CC=C1 PHBB_SC-06487 [0,1,0,0,0,1|1,0,0]=3 64 B13R1.44 CN(CCC#N)CC1=CC=CC=C1 PHBB_SC-08901 [0,2,0,0,0,0|2,0,0]=4 65 B13R1.148 CN(C)C(=O)CC1=CC=CC(N)=C1 PHBB_SC-08711 [0,2,0,0,0,0|1,0,1]=4 66 B13R1.202 CN(C)C(=O)CC1=CC=CC=C1N PHBB_SC-08936 [0,2,0,0,0,0|1,0,1]=4 67 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O PHBB_NC-03382 [0,2,0,0,0,0|1,0,1]=4 68 B11R1.25 CNC(C)CCC1=CC=CO1 PHBB_SC-06888 [0,0,1,1,0,0|1,0,1]=4 69 B11R2.20 C1=CC2=C(C=C1)CNCC2 PHBB_NC-02990 [1,0,0,1,0,0|0,0,0]=2 70 B11R2.20 C1=CC=C2NCCCC2=C1 PHBB_SC-08476 [1,0,0,1,0,0|2,0,0]=4 71 B11R2.10 CC1=NC2=C(C=CC=C2)N1 PHBB_SC-04961 [1,0,0,1,0,0|1,0,1]=4 72 B11R2.10 O=C1CC2=C(C=CC=C2)N1 PHBB_SC-03590 [1,0,0,1,0,0|1,0,1]=4 73 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 PHBB_SC-08353 [0,1,0,1,0,0|0,0,1]=3 74 B13R2.135 CO[C@@H]1C2=C(C=CC=C2)C[C@H]1O PHBB_NC-01135 [0,1,0,1,0,0|2,0,0]=4 75 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 PHBB_SC-11478 [0,1,0,1,0,0|1,0,1]=4 76 B13R2.45 CN1C2=CC=CC=C2N=C1CN PHBB_SC-06411 [0,1,0,1,0,0|1,0,1]=4 77 B13R2.3085 CN1C(=O)C(N)C2=CC=CC=C21 PHBB_SC-02296 [0,1,0,1,0,0|1,0,1]=4 78 B13R2.187 ClC1(Cl)CC1CC2=CC=CC=C2 PHBB_SC-07912 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.6 CN(C)C1=CC=NC=C1 PHBB_SC-05221 [1,0,0,0,1,0|2,0,0]=4 80 B9R1.6 C[C@@H](N)C1=CC=CC=C1 PHBB_NC-02025 [1,0,0,0,1,0|0,0,0]=2 81 B9R1.6 N=C(N)C1=CC=CC=C1 PHBB_SC-05168 [1,0,0,0,1,0|1,0,1]=4