0 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13611 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13862 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98059 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 NNCCC1=CC=CC=C1 74134 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.18 CC(C)NC1=CC=CN=N1 79167 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31003 [0,1,0,0,0,0|1,0,0]=2 6 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 Y14423 [0,1,0,0,0,0|3,0,0]=4 7 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 P17156 [0,1,0,0,0,0|1,0,1]=3 8 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D79125 [0,0,0,1,0,0|0,0,0]=1 9 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D96708 [0,0,0,1,0,0|0,0,0]=1 10 B12R2.24 O=C1CC2=C(CN1)N=CC=C2 87247 [0,0,0,1,0,0|2,0,1]=4 11 B12R2.27 N#CC1CC1C2=CC=CC=C2 78699 [0,0,0,1,0,0|2,0,0]=3 12 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 C12344 [0,0,0,1,0,0|1,0,1]=3 13 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y10835 [0,0,0,0,1,0|2,0,1]=4 14 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72624 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.8 CSCC1=NC=CC=C1 W19655 [2,0,0,0,0,0|2,0,0]=4 16 B9R1.8 NNCC1=CC=NC=C1 78931 [2,0,0,0,0,0|2,0,0]=4 17 B11R1.28 CCOCCC1=NC=CC=C1 D72160 [1,1,0,0,0,0|2,0,0]=4 18 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14339 [1,1,0,0,0,0|0,0,0]=2 19 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 Y10854 [1,1,0,0,0,0|1,0,0]=3 20 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15521 [1,1,0,0,0,0|1,0,0]=3 21 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y10855 [1,1,0,0,0,0|1,0,0]=3 22 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y11162 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 D96033 [1,1,0,0,0,0|0,0,0]=2 24 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 D96393 [1,1,0,0,0,0|0,0,0]=2 25 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 C12343 [0,1,0,0,1,0|1,0,1]=4 26 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 O10205 [0,1,0,0,1,0|0,0,0]=2 27 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 Y13039 [0,1,0,0,1,0|0,0,0]=2 28 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y13906 [0,1,0,0,1,0|0,0,0]=2 29 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 Y13931 [0,1,0,0,1,0|0,0,0]=2 30 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 Y13728 [0,1,0,0,1,0|0,0,0]=2 31 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11427 [0,1,0,0,1,0|0,0,0]=2 32 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12191 [0,1,0,0,1,0|0,0,0]=2 33 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y13726 [0,1,0,0,1,0|0,0,0]=2 34 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y13727 [0,1,0,0,1,0|0,0,0]=2 35 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 C78126 [0,2,0,0,0,0|1,0,0]=3 36 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 32287 [0,2,0,0,0,0|2,0,0]=4 37 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 50826 [0,2,0,0,0,0|2,0,0]=4 38 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O F15185 [0,2,0,0,0,0|2,0,0]=4 39 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [1,0,0,1,0,0|1,0,0]=3 40 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [1,0,0,1,0,0|2,0,0]=4 41 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19281 [1,0,0,1,0,0|2,0,0]=4 42 B11R2.20 C1=CC2=C(C=N1)CCNC2 C75219 [1,0,0,1,0,0|1,0,0]=3 43 B11R2.239 C1=CC=C(C2CNC2)C=C1 P11102 [1,0,0,1,0,0|0,0,0]=2 44 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 93643 [1,0,0,1,0,0|1,0,0]=3 45 B11R2.36 C[C@H]1CN2N=CC=C2CN1 C90722 [0,0,0,1,1,0|2,0,0]=4 46 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65712 [0,0,0,1,0,1|1,0,1]=4 47 B13R2.15 OC1COCC1C2=CC=CC=C2 90595 [0,1,0,1,0,0|2,0,0]=4 48 B13R2.163 N[C@H]1CCOC2=C(C=CC=C2)C1 F50699 [0,1,0,1,0,0|2,0,0]=4 49 B13R2.221 NC1(CC2=CC=CC=C2)COC1 38013 [0,1,0,1,0,0|2,0,0]=4 50 B13R2.328 CC1CC(C)C2=C(C=CC=C2)N1 C73677 [0,1,0,1,0,0|2,0,0]=4 51 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 Y11451 [0,1,0,1,0,0|1,0,0]=3 52 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 F52068 [0,1,0,1,0,0|2,0,0]=4 53 B13R2.42 OC[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 58117 [0,1,0,1,0,0|2,0,0]=4 54 B13R2.42 OC[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 D97098 [0,1,0,1,0,0|2,0,0]=4 55 B13R2.148 NC1(CC2=CC=C(O)C=C2)CC1 C76840 [0,1,0,1,0,0|2,0,0]=4 56 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 37033 [0,1,0,1,0,0|1,0,1]=4 57 B13R2.136 NC[C@H]1C[C@@H]1C2=CC=CC(F)=C2 D96892 [0,1,0,1,0,0|2,0,0]=4 58 B13R2.136 NC[C@H]1C[C@@H]1C2=CC=CC(F)=C2 D97020 [0,1,0,1,0,0|2,0,0]=4 59 B13R2.155 N[C@H]1CCC2=C(C=C(Cl)C=C2)C1 20168 [0,1,0,1,0,0|2,0,0]=4 60 B13R2.243 CC1(C)CC2=C(C=CC=C2)[C@H]1O 51923 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.6 C[C@H](N)C1=CC=CN=N1 P20592 [1,0,0,0,1,0|2,0,0]=4 62 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25776 [1,0,0,0,1,0|2,0,0]=4 63 B9R1.6 C[C@H](N)C1=NC=CC=N1 AT18259 [1,0,0,0,1,0|2,0,0]=4 64 B9R1.6 C[C@H](N)C1=NC=NC=C1 F15538 [1,0,0,0,1,0|2,0,0]=4 65 B9R1.13 C[C@H](N)CC1=CSC=C1 89731 [1,0,0,0,1,0|1,0,0]=3