0 B11R2.1 ClC1=NSC2=C1C=CC=C2 PHBB_SC-01136 [0,0,0,0,0,0|1,1,0]=2 1 B11R2.1 NC1=C2C=CC=CC2=NS1 PHBB_SC-04216 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.1 NC1=NNC2=NC=CC=C12 PHBB_SC-05375 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 O=C1OCC2=C1C=CC=C2 PHBB_SC-04029 [0,0,0,0,0,0|2,0,1]=3 4 B11R2.1 SC1=NN=C2C=CC=CN12 PHBB_SC-03127 [0,0,0,0,0,0|2,1,0]=3 5 B10R2.7 C1=CC2=C(C=C1)NC=C2 PHBB_NC-01977 [1,0,0,0,0,0|2,0,0]=3 6 B10R2.7 C1=CC2=N[Se]N=C2C=C1 PHBB_SC-00229 [1,0,0,0,0,0|3,0,0]=4 7 B10R2.7 C1=CC=C2NCCC2=C1 PHBB_SC-00310 [1,0,0,0,0,0|2,0,1]=4 8 B10R2.7 C1=CN=C2NC=CC2=C1 PHBB_SC-03511 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.1 C(=O)C1=CNC2=C1C=CC=C2 PHBB_NC-00307 [0,1,0,0,0,0|2,0,1]=4 10 B12R2.1 N#CC1=CNC2=CC=CC=C12 PHBB_SC-03279 [0,1,0,0,0,0|3,0,0]=4 11 B12R2.1 NCC1=NN=C2C=CC=CN21 PHBB_SC-11487 [0,1,0,0,0,0|3,0,0]=4 12 B12R2.1 OCN1C=NC2=C1C=CC=C2 PHBB_SC-03988 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O PHBB_NC-01952 [0,1,0,0,0,0|2,0,1]=4 14 B12R2.203 CC1=CNC2=C1C(O)=CC=C2 PHBB_NC-02661 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.203 NC1=NNC2=CC=CC(F)=C21 PHBB_SC-10701 [0,1,0,0,0,0|2,0,0]=3 16 B12R2.612 CC1=CC=C2C(N)=NNC2=N1 PHBB_SC-02151 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 PHBB_SC-10574 [0,1,0,0,0,0|2,0,1]=4 18 B12R2.612 NC1=NNC2=CC(Br)=CC=C21 PHBB_SC-10575 [0,1,0,0,0,0|2,0,0]=3 19 B12R2.612 O=C1COC2=CC(O)=CC=C12 PHBB_NC-01859 [0,1,0,0,0,0|1,0,1]=3 20 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 PHBB_SC-12102 [0,1,0,0,0,0|1,0,2]=4 21 B10R1.15 CCC(=O)C1=CC=CC=C1 PHBB_SC-08413 [0,0,1,0,0,0|2,0,1]=4 22 B10R1.15 COC(=O)C1=CC=CC=C1 PHBB_SC-05154 [0,0,1,0,0,0|2,0,1]=4 23 B10R1.15 NCC(=O)C1=CC=CC=C1 PHBB_NC-03457 [0,0,1,0,0,0|2,0,1]=4 24 B10R1.15 N\C(=N/O)C1=CC=CC=C1 PHBB_SC-11990 [0,0,1,0,0,0|1,0,0]=2 25 B10R1.15 N\C(=N/O)C1=CC=CN=C1 PHBB_SC-06054 [0,0,1,0,0,0|2,0,0]=3 26 B10R1.15 N\C(=N/O)C1=CC=NC=C1 PHBB_SC-06053 [0,0,1,0,0,0|2,0,0]=3 27 B10R1.15 N\C(=N/O)C1=NC=CC=C1 PHBB_SC-11985 [0,0,1,0,0,0|2,0,0]=3 28 B10R1.17 NCCOC1=CC=CC=C1 PHBB_SC-08509 [0,0,1,0,0,0|2,0,1]=4 29 B10R1.17 OCCNC1=CC=CC=C1 PHBB_SC-05134 [0,0,1,0,0,0|2,0,1]=4 30 B10R1.17 OCCOC1=CC=CC=C1 PHBB_SC-01850 [0,0,1,0,0,0|1,0,1]=3 31 B10R1.17 OC\C=C\C1=CC=CC=C1 PHBB_NC-01992 [0,0,1,0,0,0|2,0,1]=4 32 B10R1.17 S=C=NCC1=CC=CC=C1 PHBB_SC-04723 [0,0,1,0,0,0|1,1,1]=4 33 B10R1.20 COC1=CC=CC=C1CN PHBB_SC-04651 [0,0,1,0,0,0|2,0,1]=4 34 B10R1.20 O=CC1=CC=CC=C1C=O PHBB_SC-07648 [0,0,1,0,0,0|2,0,1]=4 35 B10R1.61 CC(=O)C1=C(C)C=CC=C1 PHBB_SC-04946 [0,0,1,0,0,0|2,0,1]=4 36 B10R1.61 CC(=O)C1=C(O)C=CC=C1 PHBB_SC-04876 [0,0,1,0,0,0|1,0,1]=3 37 B10R1.61 CC(=O)C1=CC=CC=C1N PHBB_SC-06120 [0,0,1,0,0,0|2,0,1]=4 38 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 PHBB_SC-05005 [0,0,1,0,0,0|2,0,1]=4 39 B10R1.61 NC(=O)C1=C(O)C=CC=C1 PHBB_SC-06694 [0,0,1,0,0,0|0,0,2]=3 40 B10R1.61 NC(=O)C1=C(O)C=CC=N1 PHBB_SC-04037 [0,0,1,0,0,0|1,0,2]=4 41 B10R1.61 NC1=C(C(=O)O)C=CC=N1 PHBB_SC-03320 [0,0,1,0,0,0|3,0,0]=4 42 B10R1.61 NC1=CC=CC=C1C(=O)O PHBB_NC-03334 [0,0,1,0,0,0|2,0,0]=3 43 B10R1.61 O=C(Cl)C1=C(Cl)C=CC=C1 PHBB_SC-04912 [0,0,1,0,0,0|2,0,1]=4 44 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 PHBB_SC-08434 [0,0,1,0,0,0|2,0,1]=4 45 B10R1.61 O=C(O)C1=C(I)C=CC=C1 PHBB_SC-04862 [0,0,1,0,0,0|2,0,0]=3 46 B10R1.61 O=C(O)C1=CC=CC=C1F PHBB_SC-09608 [0,0,1,0,0,0|2,0,0]=3 47 B10R1.61 O=C(O)C1=CC=CN=C1Cl PHBB_SC-04606 [0,0,1,0,0,0|3,0,0]=4 48 B10R1.61 O=C(O)C1=CC=CN=C1S PHBB_SC-04731 [0,0,1,0,0,0|2,1,0]=4 49 B10R1.61 O=C(O)C1=CC=CNC1=O PHBB_NC-01907 [0,0,1,0,0,0|2,0,1]=4 50 B12R2.24 NC1=CC2=CC=CC=C2C=C1 PHBB_SC-04782 [0,0,0,0,0,1|3,0,0]=4 51 B12R2.24 NC1=CC2=CC=CC=C2N=C1 PHBB_SC-12182 [0,0,0,0,0,1|3,0,0]=4 52 B12R2.24 NC1=NC2=CC=CC=C2SC1 PHBB_SC-09633 [0,0,0,0,0,1|2,1,0]=4 53 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 PHBB_NC-00341 [0,0,0,0,0,1|2,0,1]=4 54 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 PHBB_NC-00687 [0,0,0,0,0,1|2,0,1]=4 55 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 PHBB_SC-11805 [0,0,0,0,0,1|1,1,1]=4 56 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PHBB_SC-04789 [0,0,0,0,0,1|2,1,0]=4 57 B12R2.24 SC1=CC=C2C=CC=CC2=N1 PHBB_SC-07915 [0,0,0,0,0,1|2,1,0]=4 58 B12R2.1081 ClC1=NC=NC2=CC=CC=C21 PHBB_SC-12186 [0,0,0,0,0,1|2,0,0]=3 59 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 PHBB_SC-04846 [0,0,0,0,0,1|3,0,0]=4 60 B12R2.1081 O=C1CCCC2=C1C=CC=C2 PHBB_SC-00363 [0,0,0,0,0,1|2,0,1]=4 61 B12R2.1081 O=C1CCOC2=C1C=CC=C2 PHBB_NC-02285 [0,0,0,0,0,1|1,0,1]=3 62 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 PHBB_SC-08278 [0,0,0,0,0,1|1,0,2]=4 63 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 PHBB_SC-04623 [0,0,0,0,0,1|1,0,1]=3 64 B12R2.1081 OC1=C2C=CN=NC2=NC=N1 PHBB_NC-02668 [0,0,0,0,0,1|3,0,0]=4 65 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 PHBB_SC-05292 [0,0,0,0,0,1|3,0,0]=4 66 B12R2.1081 OC1=CC=CC2=CC=CC=C12 PHBB_SC-05086 [0,0,0,0,0,1|2,0,0]=3 67 B12R2.1081 OC1=CC=CC2=CN=CC=C12 PHBB_SC-07112 [0,0,0,0,0,1|3,0,0]=4 68 B9R1.6 N=C(N)C1=CC=CC=C1 PHBB_SC-05168 [1,0,1,0,0,0|1,0,0]=3 69 B9R1.6 N=C(N)C1=CC=CN=C1 PHBB_SC-05278 [1,0,1,0,0,0|2,0,0]=4 70 B9R1.6 O=C(O)C1=CC=NC=C1 PHBB_SC-08475 [1,0,1,0,0,0|1,0,1]=4 71 B9R1.8 O=C=NC1=CC=CC=C1 PHBB_SC-05015 [1,0,1,0,0,0|0,0,2]=4 72 B9R1.8 S=C=NC1=CC=CC=C1 PHBB_SC-06210 [1,0,1,0,0,0|0,1,1]=4 73 B9R1.12 O=C\C=C\C1=CC=CO1 PHBB_NC-02318 [1,0,1,0,0,0|2,0,0]=4 74 B9R1.15 N#CC1=C(O)C=CC=C1 PHBB_SC-02944 [1,0,1,0,0,0|0,0,2]=4 75 B9R1.15 NC1=C(CO)C=CC=C1 PHBB_SC-07959 [1,0,1,0,0,0|0,0,2]=4 76 B9R1.15 O=CC1=C(Cl)C=CC=C1 PHBB_SC-04841 [1,0,1,0,0,0|1,0,1]=4 77 B9R1.15 O=CC1=C(O)C=CC=C1 PHBB_SC-06217 [1,0,1,0,0,0|0,0,1]=3 78 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 PHBB_SC-11989 [0,1,1,0,0,0|1,0,0]=3 79 B11R1.23 NC1=CC=CC(\C(N)=N\O)=C1 PHBB_SC-10390 [0,1,1,0,0,0|1,0,0]=3 80 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 PHBB_NC-02998 [0,1,1,0,0,0|1,0,1]=4 81 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 PHBB_NC-03020 [0,1,1,0,0,0|1,0,1]=4 82 B11R1.222 N\C(=N/O)C1=C(Cl)C=CC=C1 PHBB_SC-11999 [0,1,1,0,0,0|1,0,0]=3 83 B11R1.222 N\C(=N/O)C1=C(F)C=CC=C1 PHBB_SC-11991 [0,1,1,0,0,0|1,0,0]=3 84 B11R1.1 NC1=CC=C(OCCO)C=C1 PHBB_SC-05653 [0,1,1,0,0,0|1,0,1]=4 85 B11R1.17 NC1=C(OCCO)C=CC=C1 PHBB_SC-06057 [0,1,1,0,0,0|1,0,1]=4 86 B11R1.24 NC1=CC(OCCO)=CC=C1 PHBB_SC-06344 [0,1,1,0,0,0|1,0,1]=4 87 B11R1.91 O=C(O)C#CC1=CC=CC=C1 PHBB_SC-04745 [0,1,1,0,0,0|2,0,0]=4 88 B11R1.91 O=C(O)CCC1=CC=CC=C1 PHBB_NC-02947 [0,1,1,0,0,0|2,0,0]=4 89 B11R1.91 O=C(O)CNC1=CC=CC=C1 PHBB_NC-02179 [0,1,1,0,0,0|2,0,0]=4 90 B11R1.91 O=C(O)COC1=CC=CC=C1 PHBB_SC-04460 [0,1,1,0,0,0|1,0,0]=3 91 B11R1.91 O=C(O)COC1=CC=CN=C1 PHBB_SC-04343 [0,1,1,0,0,0|2,0,0]=4 92 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 PHBB_SC-12089 [0,1,1,0,0,0|2,0,0]=4 93 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 PHBB_NC-02007 [0,1,1,0,0,0|2,0,0]=4 94 B11R1.53 COC1=C(C(=O)O)C=CC=C1 PHBB_SC-12215 [0,1,1,0,0,0|1,0,0]=3 95 B11R1.53 COC1=NC=CC=C1C(=O)O PHBB_NC-02135 [0,1,1,0,0,0|2,0,0]=4 96 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 PHBB_SC-07937 [0,1,1,0,0,0|1,0,1]=4 97 B11R1.53 O=CC1=CC=CC=C1C(=O)O PHBB_SC-08236 [0,1,1,0,0,0|2,0,0]=4 98 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Cl PHBB_SC-03459 [0,1,1,0,0,0|2,0,0]=4 99 B11R1.156 O=C(O)C1=C(F)C=CC=C1F PHBB_SC-03249 [0,1,1,0,0,0|2,0,0]=4 100 B11R1.156 O=C(O)C1=C(O)C=CC=C1O PHBB_SC-01576 [0,1,1,0,0,0|1,0,0]=3 101 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 PHBB_SC-10523 [0,1,1,0,0,0|2,0,0]=4 102 B11R1.166 CC(=O)C1=CC=C(N)C=C1O PHBB_SC-09270 [0,1,1,0,0,0|1,0,1]=4 103 B11R1.166 CC(=O)C1=CC=C(O)C=C1O PHBB_SC-04814 [0,1,1,0,0,0|1,0,1]=4 104 B11R1.166 O=C(O)C1=CC=C(O)C=C1O PHBB_NC-01957 [0,1,1,0,0,0|1,0,0]=3 105 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 PHBB_SC-08408 [0,1,1,0,0,0|1,0,1]=4 106 B11R1.167 CC(=O)C1=CC(N)=CC=C1O PHBB_NC-03178 [0,1,1,0,0,0|1,0,1]=4 107 B11R1.167 CC(=O)C1=CC(O)=CC=C1O PHBB_SC-08398 [0,1,1,0,0,0|1,0,1]=4 108 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 PHBB_SC-01873 [0,1,1,0,0,0|2,0,0]=4 109 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 PHBB_SC-07938 [0,1,1,0,0,0|2,0,0]=4 110 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 PHBB_SC-07139 [0,1,1,0,0,0|2,0,0]=4 111 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 PHBB_NC-00501 [0,1,1,0,0,0|1,0,0]=3 112 B11R1.167 NC1=CC=C(Cl)C(C(=O)O)=C1 PHBB_SC-10653 [0,1,1,0,0,0|2,0,0]=4 113 B11R1.167 NC1=CC=C(F)C(C(=O)O)=C1 PHBB_SC-10655 [0,1,1,0,0,0|2,0,0]=4 114 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 PHBB_SC-03461 [0,1,1,0,0,0|2,0,0]=4 115 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 PHBB_SC-04457 [0,1,1,0,0,0|2,0,0]=4 116 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 PHBB_SC-03463 [0,1,1,0,0,0|2,0,0]=4 117 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 PHBB_NC-01998 [0,1,1,0,0,0|1,0,0]=3 118 B11R1.167 O=C(O)C1=CC(Br)=CC=C1O PHBB_SC-04790 [0,1,1,0,0,0|1,0,0]=3 119 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O PHBB_SC-03513 [0,1,1,0,0,0|2,0,0]=4 120 B11R2.10 O=C1NC2=C(C=CC=C2)O1 PHBB_NC-03233 [1,1,0,0,0,0|2,0,0]=4 121 B11R2.10 SC1=NC2=C(C=CC=C2)O1 PHBB_SC-00028 [1,1,0,0,0,0|2,0,0]=4 122 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 PHBB_SC-03283 [1,1,0,0,0,0|2,0,0]=4 123 B11R2.36 BrC1=CC=C2C=CNC2=C1 PHBB_SC-01421 [1,1,0,0,0,0|2,0,0]=4 124 B11R2.36 CC1=CC2=C(C=C1)NC=C2 PHBB_SC-01108 [1,1,0,0,0,0|2,0,0]=4 125 B11R2.36 ClC1=CC=C2C=CNC2=C1 PHBB_SC-03792 [1,1,0,0,0,0|2,0,0]=4 126 B11R2.36 ClC1=CC=C2NC=CC2=C1 PHBB_SC-11752 [1,1,0,0,0,0|2,0,0]=4 127 B11R2.36 FC1=CC=C2C=CNC2=C1 PHBB_SC-01432 [1,1,0,0,0,0|2,0,0]=4 128 B11R2.36 NC1=CC2=C(C=C1)C=NN2 PHBB_SC-12251 [1,1,0,0,0,0|1,0,0]=3 129 B11R2.36 NC1=CC2=C(C=C1)OCO2 PHBB_SC-11809 [1,1,0,0,0,0|2,0,0]=4 130 B11R2.36 NC1=CC=C2C=CNC2=C1 PHBB_SC-12189 [1,1,0,0,0,0|2,0,0]=4 131 B11R2.36 OC1=CC2=C(C=C1)NC=C2 PHBB_SC-11754 [1,1,0,0,0,0|2,0,0]=4 132 B11R2.36 OC1=CC2=C(C=C1)OCO2 PHBB_NC-00795 [1,1,0,0,0,0|2,0,0]=4 133 B11R2.36 OC1=CC2=C(C=C1)OCO2 PHBB_NC-03444 [1,1,0,0,0,0|2,0,0]=4 134 B11R2.106 CC1=CC=CC2=C1C=CN2 PHBB_SC-04443 [1,1,0,0,0,0|2,0,0]=4 135 B11R2.106 ClC1=CC=CC2=C1C=CN2 PHBB_SC-10752 [1,1,0,0,0,0|2,0,0]=4 136 B11R2.106 ClC1=CC=CC2=NN=CN12 PHBB_SC-06397 [1,1,0,0,0,0|2,0,0]=4 137 B11R2.106 NC1=C2C=CNC2=CC=C1 PHBB_SC-11889 [1,1,0,0,0,0|2,0,0]=4 138 B11R2.106 OC1=C2C=CNC2=CC=C1 PHBB_SC-01424 [1,1,0,0,0,0|2,0,0]=4 139 B13R2.32 NC1=C2C=CC=CC2=CC=C1O PHBB_SC-00955 [0,1,0,0,0,1|2,0,0]=4 140 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 PHBB_SC-03805 [0,1,0,0,0,1|1,0,1]=4 141 B13R2.162 OC1=CC2=C(C=CC=C2O)C=C1 PHBB_SC-04867 [0,1,0,0,0,1|2,0,0]=4 142 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 PHBB_SC-00471 [0,1,0,0,0,1|2,0,0]=4 143 B13R2.328 O=C1N=C(S)SC2=CC=CC=C12 PHBB_SC-09389 [0,1,0,0,0,1|1,1,0]=4 144 B13R2.369 OC1=NC2=C(C=CC=C2)N=C1O PHBB_SC-00701 [0,1,0,0,0,1|2,0,0]=4 145 B13R2.3683 NC1=CC=C2NC(=O)COC2=C1 PHBB_SC-04485 [0,1,0,0,0,1|1,0,1]=4 146 B13R2.342 NC1=C2C=CC=C(O)C2=CC=C1 PHBB_SC-01877 [0,1,0,0,0,1|2,0,0]=4 147 B13R2.1 OCCC1=CNC2=C1C=CC=C2 PHBB_NC-02663 [0,2,0,0,0,0|2,0,0]=4 148 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 PHBB_NC-03311 [0,2,0,0,0,0|2,0,0]=4 149 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 PHBB_SC-05805 [0,2,0,0,0,0|1,0,0]=3 150 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N\O PHBB_SC-06738 [0,2,0,0,0,0|2,0,0]=4 151 B13R2.5180 CC1=C2OCC(=O)C2=CC=C1O PHBB_NC-03053 [0,2,0,0,0,0|1,0,1]=4 152 B13R2.5180 O=C1COC2=C(O)C(O)=CC=C12 PHBB_NC-03131 [0,2,0,0,0,0|1,0,1]=4 153 B13R2.11642 CC1=C2C(=O)COC2=CC(O)=C1 PHBB_NC-03644 [0,2,0,0,0,0|1,0,1]=4 154 B13R2.11642 O=C1COC2=CC(O)=CC(O)=C12 PHBB_NC-03645 [0,2,0,0,0,0|1,0,1]=4 155 B11R2.20 C1=CC2=CC=NC=C2C=C1 PHBB_SC-04761 [0,0,1,1,0,0|2,0,0]=4 156 B9R1.11 N\C(=N/O)C1=CSC=C1 PHBB_SC-11983 [0,0,1,0,1,0|2,0,0]=4 157 B11R1.86 NC(=S)NC1=CC=CC=C1O PHBB_SC-04233 [0,0,1,0,0,1|0,1,1]=4