0 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 SBB053707 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 SBB007734 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 SBB017485 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 SBB051444 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 SBB007729 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 SBB063242 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 SBB057682 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.16 CC(CCN)C1=CC=CC=C1 SBB085501 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.16 CCCC(=O)C1=CC=CC=C1 SBB058761 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 SBB070021 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.16 CNCC(C)C1=CC=CC=C1 SBB028094 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.16 OC(C#CBr)C1=CC=CC=C1 SBB013371 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 SBB055478 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.36 CC(=O)N(O)C1=CC=CC=C1 SBB058639 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 SBB058576 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 SBB058219 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 SBB017231 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 SBB028298 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 SBB007730 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.40 C1=CC=C(NC(=S)NC)C=C1 SBB003887 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.40 CC(CN)OC1=CC=CC=C1 SBB028307 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.40 CCC(=O)CC1=CC=CC=C1 SBB060892 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.40 CNC(=O)NC1=CC=CC=C1 SBB008334 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.40 CNC(C)CC1=CC=CC=N1 SBB025630 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.40 CNC(C)CC1=CN=CC=N1 SBB025635 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.40 NNC(=O)CC1=CC=CC=C1 SBB046750 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.40 O=C(CC1=CC=CC=C1)NO SBB086771 [1,0,0,0,0,0|2,0,1]=4 27 B13R1.21 NC1=CC=C(C(O)C(O)CO)C=C1 SBB002579 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 SBB065016 [0,1,0,0,0,0|2,0,1]=4 29 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 SBB000225 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 SBB057623 [0,1,0,0,0,0|3,0,0]=4 31 B13R2.32 CC1CCC2=CC=CC=C2C1=O SBB067641 [0,0,0,1,0,0|1,0,2]=4 32 B13R1.11 CCC(C)NC(=O)C1=CC=CC=C1 SBB058214 [0,0,0,0,0,1|1,0,2]=4 33 B13R1.11 CNC(=O)\C=C(\O)C1=CC=CC=C1 SBB035976 [0,0,0,0,0,1|1,0,2]=4 34 B10R1.15 BrCC(Br)C1=CC=CC=C1 SBB058656 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.15 C#CC(O)C1=CC=CC=C1 SBB008986 [2,0,0,0,0,0|0,0,2]=4 36 B10R1.15 CC(CN)C1=CC=CC=C1 SBB028247 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.15 CC(CO)C1=CC=CC=C1 SBB007853 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.15 CCC(=O)C1=CC=CC=C1 SBB058853 [2,0,0,0,0,0|0,0,2]=4 39 B10R1.15 CCC(Br)C1=CC=CC=C1 SBB060201 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.15 CCC(C)C1=CC=CC=C1 SBB060615 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.15 CCC(N)C1=CC=CC=C1 SBB029878 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.15 CCC(N)C1=CC=CC=C1 SBB080382 [2,0,0,0,0,0|1,0,0]=3 43 B10R1.15 CCC(O)C1=CC=CC=C1 SBB058750 [2,0,0,0,0,0|0,0,0]=2 44 B10R1.15 CNC(=O)C1=CC=CC=C1 SBB051421 [2,0,0,0,0,0|0,0,2]=4 45 B10R1.15 C[C@H](CN)C1=CC=CC=C1 SBB052360 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.15 ClCC(Cl)C1=CC=CC=C1 SBB007931 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB063139 [2,0,0,0,0,0|0,0,2]=4 48 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB066026 [2,0,0,0,0,0|0,0,2]=4 49 B10R1.15 NCC(O)C1=CC=CC=C1 SBB063224 [2,0,0,0,0,0|0,0,0]=2 50 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SBB006667 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.15 OCC(O)C1=CC=CC=C1 SBB063119 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SBB064282 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [2,0,0,0,0,0|1,0,1]=4 55 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [2,0,0,0,0,0|1,0,0]=3 62 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.18 CC(C)NC1=CC=CC=C1 SBB007921 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.18 CC(N)CC1=CC=CC=N1 SBB025629 [2,0,0,0,0,0|1,0,0]=3 67 B10R1.18 CC(N)CC1=CN=CC=N1 SBB025636 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.18 CN(C)CC1=CC=CC=C1 SBB060233 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.18 NC(=O)CC1=CC=CC=C1 SBB017634 [2,0,0,0,0,0|1,0,1]=4 70 B10R1.18 NC(=S)CC1=CC=CC=C1 SBB016517 [2,0,0,0,0,0|1,0,1]=4 71 B12R1.3 CCCC(C#N)C1=CC=CC=C1 SBB007788 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.3 CCCC(CC)C1=CC=CC=C1 SBB061240 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.3 CCCC(CN)C1=CC=CC=C1 SBB073169 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 SBB013970 [1,1,0,0,0,0|0,0,2]=4 75 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 SBB063601 [1,1,0,0,0,0|0,0,0]=2 76 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 SBB000429 [1,1,0,0,0,0|0,0,0]=2 77 B12R1.17 CNC[C@@H](O)C1=CC(O)=CC=C1 SBB064156 [1,1,0,0,0,0|0,0,0]=2 78 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.30 CCCNC(C)C1=CC=CC=C1 SBB005747 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.30 CNCCC(O)C1=CC=CC=C1 SBB063260 [1,1,0,0,0,0|0,0,0]=2 81 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SBB063579 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 SBB001885 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.20 CC(C)C(=O)C1=CC=C(F)C=C1 SBB088008 [1,1,0,0,0,0|0,0,2]=4 84 B12R1.20 CC(C)C(N)C1=CC=C(F)C=C1 SBB085363 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.20 [NH3+]C(C)C(O)C1=CC=C(O)C=C1 SBB056907 [1,1,0,0,0,0|0,0,1]=3 86 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 SBB008509 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.478 CN(C)C(C#N)C1=CC=CC=C1 SBB007705 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 SBB028352 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.564 CC(C)(C)C(O)C1=CC=CC=C1 SBB087836 [1,1,0,0,0,0|0,0,0]=2 90 B12R1.564 OC(C1=CC=CC=C1)C(Cl)(Cl)Cl SBB008085 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.564 OC(C1=CC=CC=C1)C(F)(F)F SBB072680 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 SBB014560 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 SBB080431 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.50 CNC(C)CC1=CC(C)=CC=N1 SBB025633 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.194 C#CC(C)(O)CC1=CC=CC=C1 SBB002525 [1,1,0,0,0,0|1,0,1]=4 96 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 SBB015072 [1,1,0,0,0,0|0,0,0]=2 97 B14R1.10 CCN(C)CC(O)C1=CC=C(N)C=C1 SBB302877 [0,1,0,0,0,1|2,0,0]=4 98 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SBB056158 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SBB010168 [1,0,0,1,0,0|1,0,0]=3 101 B12R2.2 C1=CC=C(C2OCCO2)C=C1 SBB058599 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.2 C1=CC=C(C2OCCS2)C=C1 SBB056712 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB000241 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB028283 [1,0,0,1,0,0|2,0,0]=4 105 B12R2.1081 OC1CCCC2=CC=CC=C21 SBB056331 [1,0,0,1,0,0|1,0,0]=3 106 B12R2.1081 O[C@H]1CCOC2=CC=CC=C21 SBB086707 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.2028 OC1CC(O)C2=CC=CC=C21 SBB056381 [1,0,0,1,0,0|2,0,0]=4 108 B12R2.18 CC1CC2=CC=CC=C2C1=O SBB067570 [1,0,0,1,0,0|0,0,2]=4 109 B12R2.18 NC1C2=CC=CC=C2CC1O SBB052066 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.18 NC1CC2=CC=CC=C2C1O SBB052067 [1,0,0,1,0,0|0,0,0]=2 111 B12R2.18 OC1C2=C(C=CC=C2)CC1Br SBB058660 [1,0,0,1,0,0|1,0,0]=3 112 B12R2.18 O[C@H]1CC2=C(C=CC=C2)[C@H]1N SBB006600 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.24 CC1CCC2=CC=CC=C2N1 SBB039108 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SBB072624 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SBB008511 [1,0,0,1,0,0|2,0,0]=4 116 B14R2.21 CC1CCOC(C2=CC=CC=C2)O1 SBB061029 [0,0,0,1,0,1|1,0,0]=3 117 B14R2.24 CC1CNCCN1C2=CC=CC=C2 SBB056128 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.598 CC1NC(=O)OC1C2=CC=CC=C2 SBB067625 [0,1,0,1,0,0|0,0,1]=3 119 B10R1.23 CC(C)C(N)C1=CC=CS1 SBB010369 [1,0,0,0,1,0|2,0,0]=4 120 B12R1.27 CC(CO)NCC1=CC=CC=C1 SBB010465 [1,0,0,0,0,1|2,0,0]=4 121 B12R1.27 CNC(=S)NCC1=CC=CC=C1 SBB017711 [1,0,0,0,0,1|1,0,1]=4