0 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 SBB001837 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 SBB008509 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.478 CN(C)C(C#N)C1=CC=CC=C1 SBB007705 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 SBB028352 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.12 CCC(C#N)C1=CC=CC=C1 SBB068828 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.12 CCC(CC)C1=CC=CC=C1 SBB060456 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.12 CCC(CN)C1=CC=CC=C1 SBB073168 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.12 CCN(CC)C1=CC=CC=C1 SBB060520 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.12 CC\C(=N/O)C1=CC=CC=C1 SBB080355 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.12 N#CC(CO)C1=CC=CC=C1 SBB059710 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.12 O=CC(C=O)C1=CC=NC=C1 SBB038306 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 SBB064017 [1,0,0,0,0,0|1,0,2]=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(Br)C(=O)C1=CC=CC=C1 SBB058576 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 SBB058219 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.36 O=C(C1=CC=CC=C1)C(F)F SBB087123 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.706 CC1=CC=C(C(CN)N(C)C)C=C1 SBB016711 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.706 CCN(C1=CC=C(N)C=C1)C(C)C SBB003400 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.706 CN(C)C(CN)C1=CC=C(Cl)C=C1 SBB016707 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.706 CN(C)C(CN)C1=CC=C(F)C=C1 SBB073145 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.716 CN(C)C(CN)C1=CC(Cl)=CC=C1 SBB016818 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.716 CN(C)C(CN)C1=CC=CC(F)=C1 SBB085326 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.720 CN(C)C(CN)C1=C(F)C=CC=C1 SBB302224 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.720 CN(C)C(CN)C1=CC=CC=C1Cl SBB010171 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.1111 CC(C)C(C(=O)O)C1=CC=CC=C1 SBB071437 [0,1,0,0,0,0|0,0,0]=1 25 B13R1.1111 NC(=O)C(C(N)=O)C1=CC=CC=C1 SBB071439 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.1111 O=C(O)C(C(=O)O)C1=CC=CC=C1 SBB064985 [0,1,0,0,0,0|2,0,1]=4 27 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 SBB015331 [0,0,0,1,0,0|1,0,2]=4 28 B13R2.135 O=CC1C(=O)NC2=CC=CC=C21 SBB005557 [0,0,0,1,0,0|2,0,1]=4 29 B13R1.418 CN(C)C(CN)CC1=CC=CC=C1 SBB302163 [0,0,0,0,0,1|2,0,1]=4 30 B10R1.15 BrCC(Br)C1=CC=CC=C1 SBB058656 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.15 C(=O)C(C)C1=CC=CC=C1 SBB007693 [2,0,0,0,0,0|0,0,0]=2 32 B10R1.15 CC(CN)C1=CC=CC=C1 SBB028247 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.15 CC(CO)C1=CC=CC=C1 SBB007853 [2,0,0,0,0,0|0,0,2]=4 34 B10R1.15 CCC(=O)C1=CC=CC=C1 SBB058853 [2,0,0,0,0,0|0,0,1]=3 35 B10R1.15 CCC(=O)C1=CC=NC=C1 SBB068976 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.15 CCC(Br)C1=CC=CC=C1 SBB060201 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.15 CCC(C)C1=CC=CC=C1 SBB060615 [2,0,0,0,0,0|0,0,1]=3 38 B10R1.15 CCC(N)C1=CC=CC=C1 SBB029878 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.15 CCC(N)C1=CC=CC=C1 SBB080382 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.15 CCC(O)C1=CC=CC=C1 SBB058750 [2,0,0,0,0,0|0,0,1]=3 41 B10R1.15 CN(C=O)C1=CC=CC=C1 SBB056830 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.15 CNC(=O)C1=CC=CC=C1 SBB051421 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.15 COC(=O)C1=CC=CC=C1 SBB058212 [2,0,0,0,0,0|1,0,1]=4 44 B10R1.15 C[C@H](CN)C1=CC=CC=C1 SBB052360 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.15 ClCC(Cl)C1=CC=CC=C1 SBB007931 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB063139 [2,0,0,0,0,0|1,0,1]=4 47 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB066026 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.15 NCC(O)C1=CC=CC=C1 SBB063224 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SBB006667 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.15 O=C(CO)C1=CC=CC=C1 SBB085926 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.15 O=CC(=O)C1=CC=CC=C1 SBB068905 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.15 OCC(O)C1=CC=CC=C1 SBB063119 [2,0,0,0,0,0|1,0,1]=4 53 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SBB064282 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.15 [NH3+]CC(=O)C1=CC=CC=C1 SBB061439 [2,0,0,0,0,0|1,0,1]=4 55 B10R1.18 CC(C)NC1=CC=CC=C1 SBB007921 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.18 CC(N)CC1=CC=CC=N1 SBB025629 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.18 CN(C)CC1=CC=CC=C1 SBB060233 [2,0,0,0,0,0|1,0,0]=3 58 B12R1.3 CCCC(C#N)C1=CC=CC=C1 SBB007788 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.3 CCCC(CC)C1=CC=CC=C1 SBB061240 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.3 CCCC(CN)C1=CC=CC=C1 SBB073169 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.12 C(=O)C(C#N)C1=CC=C(Cl)C=C1 SBB017703 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.12 CCC(NC)C1=CC=C(F)C=C1 SBB044867 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.20 CC(C)C(=O)C1=CC=C(F)C=C1 SBB088008 [1,1,0,0,0,0|0,0,1]=3 64 B12R1.20 CC(C)C(N)C1=CC=C(F)C=C1 SBB085363 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.20 CC(Cl)C(=O)C1=CC=C(F)C=C1 SBB064057 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.20 CN(C)C(=O)C1=CC=C(N)C=C1 SBB041090 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.20 [NH3+]C(C)C(O)C1=CC=C(O)C=C1 SBB056907 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 SBB063242 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.124 CN(C)C(=O)C1=CC=CC=C1N SBB079890 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.225 CN(C)C(=O)C1=CC=CC(N)=C1 SBB015313 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.253 CN(C)S(=O)(=O)C1=CC=CC=C1 SBB058205 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.564 CC(C)(C)C(O)C1=CC=CC=C1 SBB087836 [1,1,0,0,0,0|0,0,1]=3 73 B12R1.1395 CC(C)C(C(=O)O)N1C=CC=C1 SBB080009 [0,1,0,0,1,0|1,0,0]=3 74 B14R1.4513 CC(C)C(NC1=NC=CC=N1)C(=O)O SBB085507 [0,1,0,0,0,1|2,0,0]=4 75 B14R1.6455 CC(=O)OC(C(=O)Cl)C1=CC=CC=C1 SBB003420 [0,1,0,0,0,1|1,0,1]=4 76 B14R1.2984 CC(C)N(C(=O)CCl)C1=CC=CC=C1 SBB079583 [0,2,0,0,0,0|1,0,0]=3 77 B14R1.703 CC(C)C(C(=O)O)C1=CC=C(Cl)C=C1 SBB008321 [0,2,0,0,0,0|0,0,0]=2 78 B14R1.703 CC1=CC=C(C(C(=O)O)N(C)C)C=C1 SBB079559 [0,2,0,0,0,0|1,0,0]=3 79 B14R1.703 CN(C)C(C(=O)O)C1=CC=C(Cl)C=C1 SBB011287 [0,2,0,0,0,0|1,0,0]=3 80 B14R1.703 CN(C)C(C(=O)O)C1=CC=C(F)C=C1 SBB079513 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.4402 CC1=CC=CC(C(C(=O)O)N(C)C)=C1 SBB079561 [0,2,0,0,0,0|1,0,0]=3 82 B14R1.4402 CN(C)C(C(=O)O)C1=CC(F)=CC=C1 SBB079545 [0,2,0,0,0,0|1,0,0]=3 83 B14R1.323 CN(C)C(C(=O)O)C1=C(F)C=CC=C1 SBB079543 [0,2,0,0,0,0|1,0,0]=3 84 B14R1.6396 CC(C)C(N)(C(=O)O)C1=CC=CC=C1 SBB057908 [0,2,0,0,0,0|0,0,0]=2 85 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [1,0,0,1,0,0|1,0,1]=4 86 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SBB056158 [1,0,0,1,0,0|2,0,0]=4 87 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SBB010168 [1,0,0,1,0,0|1,0,1]=4 88 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 SBB055156 [1,0,0,1,0,0|1,0,1]=4 89 B12R2.48 NCC1(C2=CC=CC=C2)CC1 SBB052398 [1,0,0,1,0,0|1,0,1]=4 90 B12R2.18 CC1CC2=CC=CC=C2C1=O SBB067570 [1,0,0,1,0,0|0,0,1]=3 91 B12R2.18 NC1C2=CC=CC=C2CC1O SBB052066 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.18 NC1CC2=CC=CC=C2C1O SBB052067 [1,0,0,1,0,0|1,0,1]=4 93 B12R2.18 O=C1C2=CC=CC=C2CC1Br SBB054709 [1,0,0,1,0,0|1,0,1]=4 94 B12R2.18 OC1C2=C(C=CC=C2)CC1Br SBB058660 [1,0,0,1,0,0|1,0,1]=4 95 B12R2.18 O[C@H]1CC2=C(C=CC=C2)[C@H]1N SBB006600 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 SBB065028 [1,0,0,1,0,0|0,0,1]=3 97 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 SBB007801 [0,0,0,1,0,1|1,0,1]=4 98 B14R2.1128 CC1OC2=CC=CC=C2C=C1C=O SBB076264 [0,0,0,1,0,1|1,0,1]=4 99 B14R2.21 CC1CCOC(C2=CC=CC=C2)O1 SBB061029 [0,0,0,1,0,1|2,0,0]=4 100 B14R2.598 CC1=NN(C2=CC=CC=C2)C(=O)C1 SBB003801 [0,0,0,1,0,1|1,0,1]=4 101 B14R2.19306 CC1=C(C=O)C2=C(C=CC=C2)N1C SBB010161 [0,1,0,1,0,0|0,0,2]=4 102 B14R2.642 CC(C)N1C(=O)NC2=CC=CC=C21 SBB056000 [0,1,0,1,0,0|1,0,0]=3 103 B14R2.642 CC(C)N1C2=CC=CC=C2N=C1S SBB014092 [0,1,0,1,0,0|1,1,0]=4 104 B10R1.23 CC(C)C(=O)C1=CC=CS1 SBB019524 [1,0,0,0,1,0|1,0,1]=4 105 B10R1.23 CC(C)C(N)C1=CC=CS1 SBB010369 [1,0,0,0,1,0|2,0,0]=4 106 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 SBB058215 [1,0,0,0,0,1|1,0,1]=4 107 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 SBB058207 [1,0,0,0,0,1|0,0,1]=3 108 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 SBB063237 [1,0,0,0,0,1|1,0,1]=4 109 B12R1.107 N(C(C)C)[C@H](C)C1=CC=CC=C1 SBB059587 [1,0,0,0,0,1|0,0,1]=3