0 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 P15599 [0,0,0,0,0,0|0,0,0]=0 1 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19381 [0,0,0,0,0,0|0,0,0]=0 2 B10R2.6 C1=CC=C(C2CC2)C=C1 W16080 [1,0,0,0,0,0|0,0,0]=1 3 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [1,0,0,0,0,0|1,0,0]=2 4 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [1,0,0,0,0,0|1,0,0]=2 5 B12R2.79 OC1CC1C2=CC=C(Br)C=C2 AT25165 [0,1,0,0,0,0|1,0,0]=2 6 B12R2.80 OC1CC1C2=CC=CC(Br)=C2 AT25163 [0,1,0,0,0,0|1,0,0]=2 7 B12R2.235 NC1CC1(F)C2=CC=CC=C2 AT23658 [0,1,0,0,0,0|0,0,0]=1 8 B12R2.235 N[C@@H]1C[C@@]1(F)C2=CC=CC=C2 AT23672 [0,1,0,0,0,0|0,0,0]=1 9 B12R2.235 N[C@H]1C[C@@]1(F)C2=CC=CC=C2 AT23673 [0,1,0,0,0,0|0,0,0]=1 10 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 C12342 [0,0,1,0,0,0|1,0,1]=3 11 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18142 [0,0,1,0,0,0|3,0,0]=4 12 B10R1.15 C[C@@H](CO)C1=NC=CC=C1 AT23842 [0,0,1,0,0,0|2,0,0]=3 13 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [0,0,1,0,0,0|1,0,0]=2 14 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [0,0,1,0,0,0|1,0,0]=2 15 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [0,0,1,0,0,0|2,0,0]=3 16 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [0,0,1,0,0,0|2,0,0]=3 17 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [0,0,1,0,0,0|2,0,0]=3 18 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [0,0,1,0,0,0|2,0,0]=3 19 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 N14219 [0,0,1,0,0,0|3,0,0]=4 20 B10R1.17 ICCCC1=CN=CC=C1 E70092 [0,0,1,0,0,0|2,0,0]=3 21 B10R1.17 NCCCC1=CN=CN=C1 F52410 [0,0,1,0,0,0|2,0,0]=3 22 B10R1.18 CC(C)NC1=NC=CC=C1 D86001 [0,0,1,0,0,0|3,0,0]=4 23 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [0,0,1,0,0,0|2,0,1]=4 24 B10R2.5 N[C@H]1C[C@@H]1C2=CNC=N2 AT15512 [0,0,0,0,1,0|2,0,0]=3 25 B12R2.22 Br[C@H]1C[C@@H](C2=CC=CC=C2)C1 AT21926 [0,0,0,0,0,1|1,0,0]=2 26 B12R2.22 Br[C@H]1C[C@H](C2=CC=CC=C2)C1 AT21928 [0,0,0,0,0,1|1,0,0]=2 27 B12R2.22 NC1CC(C2=CC=NC=C2)C1 F53676 [0,0,0,0,0,1|1,0,0]=2 28 B12R2.22 O=C1CC(C2=CC=NC=C2)C1 F53800 [0,0,0,0,0,1|2,0,1]=4 29 B12R2.23 OC1CCC1C2=CC=CC=C2 84063 [0,0,0,0,0,1|1,0,0]=2 30 B12R2.23 O[C@@H]1CO[C@@H]1C2=CC=CC=C2 E73295 [0,0,0,0,0,1|1,0,0]=2 31 B12R2.23 O[C@H]1CO[C@@H]1C2=CC=CC=C2 E73297 [0,0,0,0,0,1|1,0,0]=2 32 B9R1.6 CN(N)C1=CC=CN=C1 D74848 [1,0,1,0,0,0|2,0,0]=4 33 B9R1.6 CN(N)C1=NC=CC=C1 D86030 [1,0,1,0,0,0|2,0,0]=4 34 B9R1.6 C[C@H](N)C1=CN=CN=C1 P12431 [1,0,1,0,0,0|2,0,0]=4 35 B9R1.6 C[C@H](N)C1=CN=CN=C1 P12500 [1,0,1,0,0,0|2,0,0]=4 36 B9R1.6 C[C@H](N)C1=CN=NC=C1 P18973 [1,0,1,0,0,0|2,0,0]=4 37 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [1,0,1,0,0,0|2,0,0]=4 38 B9R1.8 CCOC1=CN=CC=C1 F31361 [1,0,1,0,0,0|2,0,0]=4 39 B9R1.8 ClCCC1=CN=CC=C1 D87792 [1,0,1,0,0,0|2,0,0]=4 40 B9R1.8 SCCC1=CN=CC=C1 F18092 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.12 N#C[C@@H](CO)C1=CC=CC=C1 F11744 [0,1,1,0,0,0|0,0,2]=4 42 B11R1.12 NC\C(=C\Cl)C1=CC=CC=C1 42349 [0,1,1,0,0,0|0,0,2]=4 43 B11R1.16 NCCC(=O)C1=CC=CC=C1 AC9010 [0,1,1,0,0,0|1,0,1]=4 44 B11R1.16 NCCC(=O)C1=CC=CC=C1 D76552 [0,1,1,0,0,0|1,0,1]=4 45 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17335 [0,1,1,0,0,0|2,0,0]=4 46 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17408 [0,1,1,0,0,0|2,0,0]=4 47 B11R1.23 CC[C@H](C)C1=CC=CC(N)=N1 AT24915 [0,1,1,0,0,0|2,0,0]=4 48 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 F13059 [0,1,1,0,0,0|2,0,0]=4 49 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 F13081 [0,1,1,0,0,0|2,0,0]=4 50 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 E72733 [0,1,1,0,0,0|2,0,0]=4 51 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 E72741 [0,1,1,0,0,0|2,0,0]=4 52 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 E72742 [0,1,1,0,0,0|2,0,0]=4 53 B11R1.23 C[C@H](C#N)C1=CC=CC(Br)=C1 AT16528 [0,1,1,0,0,0|0,0,2]=4 54 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10333 [0,1,1,0,0,0|1,0,0]=3 55 B11R1.23 N[C@@H](CF)C1=CC=CC(Cl)=C1 N14612 [0,1,1,0,0,0|2,0,0]=4 56 B11R1.23 N[C@@H](CO)C1=CC=CC(I)=C1 P12330 [0,1,1,0,0,0|2,0,0]=4 57 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 F16868 [0,1,1,0,0,0|2,0,0]=4 58 B11R1.23 O[C@@H](CF)C1=CC=CC(Cl)=C1 AT24264 [0,1,1,0,0,0|2,0,0]=4 59 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 T70930 [0,1,1,0,0,0|1,0,0]=3 60 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15520 [0,1,1,0,0,0|2,0,0]=4 61 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21494 [0,1,1,0,0,0|2,0,0]=4 62 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21495 [0,1,1,0,0,0|2,0,0]=4 63 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 AT26732 [0,1,1,0,0,0|2,0,0]=4 64 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13417 [0,1,1,0,0,0|1,0,0]=3 65 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13440 [0,1,1,0,0,0|1,0,0]=3 66 B11R1.1 C#CCCC1=CC=C(Cl)C=C1 D75651 [0,1,1,0,0,0|1,0,1]=4 67 B11R1.17 OCCCC1=C(O)C=CN=C1 D74335 [0,1,1,0,0,0|2,0,0]=4 68 B11R1.24 C#CCCC1=CC=CC(Cl)=C1 D75653 [0,1,1,0,0,0|1,0,1]=4 69 B11R1.28 NOCCNC1=CC=CC=C1 AT21708 [0,1,1,0,0,0|1,0,0]=3 70 B11R1.28 O=CCCCC1=CC=NC=C1 P16930 [0,1,1,0,0,0|2,0,0]=4 71 B11R1.28 OCCCNC1=NC=CC=C1 D86278 [0,1,1,0,0,0|2,0,0]=4 72 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 D76472 [0,1,1,0,0,0|0,0,2]=4 73 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6790 [0,1,1,0,0,0|1,0,0]=3 74 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6791 [0,1,1,0,0,0|1,0,0]=3 75 B11R1.91 C[C@H](O)CCC1=CC=NC=C1 AT24513 [0,1,1,0,0,0|2,0,0]=4 76 B11R1.20 C[C@H](N)CC1=CC=C(I)C=C1 A10374 [0,1,1,0,0,0|0,0,0]=2 77 B11R1.157 CC(=O)CC1=CC(N)=CC=C1 D75584 [0,1,1,0,0,0|1,0,1]=4 78 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 D96441 [0,1,1,0,0,0|0,0,0]=2 79 B11R2.34 BrC1=NC=C(C2CC2)C=N1 AT18405 [1,1,0,0,0,0|2,0,0]=4 80 B11R2.34 FC1=CC=C(C2CC2)C=C1 AC9033 [1,1,0,0,0,0|0,0,0]=2 81 B11R2.34 FC1=CN=C(C2CC2)C=C1 AC8048 [1,1,0,0,0,0|1,0,0]=3 82 B11R2.34 OC1=CN=C(C2CC2)C=C1 D76530 [1,1,0,0,0,0|1,0,0]=3 83 B11R2.35 BrC1=NC(C2CC2)=CC=N1 AT21510 [1,1,0,0,0,0|2,0,0]=4 84 B11R2.35 ClC1=NC(C2CC2)=CC=C1 AT12437 [1,1,0,0,0,0|1,0,0]=3 85 B11R2.35 FC1=CC(C2CC2)=NC=C1 AT11496 [1,1,0,0,0,0|1,0,0]=3 86 B11R2.40 NC1(C2=CC=CN=N2)CC1 CS2238 [1,1,0,0,0,0|2,0,0]=4 87 B11R2.40 NC1(C2=CC=NC=C2)CC1 AC2827 [1,1,0,0,0,0|1,0,0]=3 88 B11R2.40 NC1(C2=CN=CN=C2)CC1 P12400 [1,1,0,0,0,0|2,0,0]=4 89 B11R2.40 NC1(C2=NC=CN=C2)CC1 P11940 [1,1,0,0,0,0|2,0,0]=4 90 B11R2.40 NC1(C2=NC=NC=C2)CC1 AT18330 [1,1,0,0,0,0|2,0,0]=4 91 B11R2.40 NC1(C2=NC=NC=C2)CC1 D75143 [1,1,0,0,0,0|2,0,0]=4 92 B11R2.40 OC1(C2=CC=CC=C2)CC1 D72927 [1,1,0,0,0,0|0,0,0]=2 93 B11R2.40 OC1(C2=NC=CC=C2)CC1 AC9082 [1,1,0,0,0,0|1,0,0]=3 94 B11R2.55 BrC1=C(C2CC2)C=NC=C1 AT10334 [1,1,0,0,0,0|1,0,0]=3 95 B11R2.55 IC1=C(C2CC2)C=CN=C1 AT16335 [1,1,0,0,0,0|1,0,0]=3 96 B11R2.55 NC1=C(C2CC2)C=NC=C1 O10997 [1,1,0,0,0,0|1,0,0]=3 97 B13R2.52 NC[C@H]1C[C@@H](C2=CC=CC=C2)C1 E73028 [0,1,0,0,0,1|0,0,0]=2 98 B13R2.147 N[C@H]1C[C@@H](C2=CC=C(Br)C=C2)C1 91845 [0,1,0,0,0,1|0,0,0]=2 99 B13R2.147 N[C@H]1C[C@@H](C2=CC=C(F)C=C2)C1 91844 [0,1,0,0,0,1|0,0,0]=2 100 B13R2.147 N[C@H]1C[C@H](C2=CC=C(Br)C=C2)C1 91828 [0,1,0,0,0,1|0,0,0]=2 101 B13R2.147 N[C@H]1C[C@H](C2=CC=C(F)C=C2)C1 91827 [0,1,0,0,0,1|0,0,0]=2 102 B13R2.147 O[C@H]1C[C@@H](C2=CC=C(Br)C=C2)C1 AT11011 [0,1,0,0,0,1|1,0,0]=3 103 B13R2.151 CN1CC(C2=CC(N)=CC=C2)C1 AT23567 [0,1,0,0,0,1|2,0,0]=4 104 B13R2.151 NC1=CC=CC(N2CC(O)C2)=C1 E70026 [0,1,0,0,0,1|2,0,0]=4 105 B13R2.151 NC1CC(C2=CC=CC(Br)=C2)C1 F53251 [0,1,0,0,0,1|0,0,0]=2 106 B13R2.151 N[C@H]1C[C@@H](C2=CC=CC(Br)=C2)C1 91849 [0,1,0,0,0,1|0,0,0]=2 107 B13R2.151 N[C@H]1C[C@@H](C2=CC=CC(F)=C2)C1 91848 [0,1,0,0,0,1|0,0,0]=2 108 B13R2.151 N[C@H]1C[C@H](C2=CC=CC(Br)=C2)C1 91833 [0,1,0,0,0,1|0,0,0]=2 109 B13R2.151 N[C@H]1C[C@H](C2=CC=CC(F)=C2)C1 91834 [0,1,0,0,0,1|0,0,0]=2 110 B13R2.173 C[C@]1(N)C[C@@H](C2=CC=CC=C2)C1 D79061 [0,1,0,0,0,1|0,0,0]=2 111 B13R2.216 O=C1CC(C2=C(Br)C=CC=C2)C1 AT14144 [0,1,0,0,0,1|1,0,1]=4 112 B13R2.238 N[C@H]1C[C@@](F)(C2=CC=CC=C2)C1 91910 [0,1,0,0,0,1|0,0,0]=2 113 B13R2.238 N[C@H]1C[C@](F)(C2=CC=CC=C2)C1 91908 [0,1,0,0,0,1|0,0,0]=2 114 B13R2.146 NC1CCC1C2=CC=C(Br)C=C2 AT20239 [0,1,0,0,0,1|0,0,0]=2 115 B13R2.146 O=C1CC[C@@H]1C2=CC=C(Br)C=C2 AT20244 [0,1,0,0,0,1|1,0,1]=4 116 B13R2.42 OC[C@H]1C[C@@H]1C2=CC=C(F)C=C2 58119 [0,2,0,0,0,0|1,0,0]=3 117 B13R2.136 NC[C@H]1C[C@@H]1C2=CC=CC(F)=C2 91155 [0,2,0,0,0,0|0,0,0]=2 118 B13R2.136 OC[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 58115 [0,2,0,0,0,0|1,0,0]=3 119 B13R2.136 OC[C@H]1C[C@@H]1C2=CC=CC(F)=C2 58127 [0,2,0,0,0,0|1,0,0]=3 120 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 AT10245 [0,2,0,0,0,0|1,0,0]=3 121 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=NC=C2 F52504 [0,2,0,0,0,0|2,0,0]=4 122 B13R2.633 CN[C@@H]1C[C@@]1(F)C2=CC=CC=C2 AT23674 [0,2,0,0,0,0|0,0,0]=2 123 B13R2.633 CN[C@H]1C[C@@]1(F)C2=CC=CC=C2 AT23675 [0,2,0,0,0,0|0,0,0]=2 124 B13R2.2987 NC1CC1(F)C2=CC=C(F)C=C2 AT23668 [0,2,0,0,0,0|0,0,0]=2 125 B13R2.3019 NC1CC1(F)C2=CC=CC(F)=C2 AT23667 [0,2,0,0,0,0|0,0,0]=2 126 B13R2.3201 CC1(C)C[C@@]1(N)C2=CC=CC=C2 E73018 [0,2,0,0,0,0|1,0,0]=3 127 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E73009 [0,0,1,1,0,0|2,0,0]=4 128 B11R2.1 C[C@H]1CNC2=NC=CC=C21 93644 [0,0,1,1,0,0|1,0,0]=3 129 B11R2.1 N[C@H]1COC2=C1C=CC=C2 F16957 [0,0,1,1,0,0|2,0,0]=4 130 B11R2.239 C1=CN=CC(C2CNC2)=C1 AT10105 [0,0,1,1,0,0|1,0,0]=3 131 B11R2.20 C1=CC2=C(C=N1)NCCC2 AT25892 [0,0,1,1,0,0|1,0,0]=3 132 B11R2.20 C1=CC2=C(CCCO2)N=C1 85303 [0,0,1,1,0,0|2,0,0]=4 133 B11R2.10 IC1CC2=C(C=CC=C2)C1 H10270 [0,0,1,1,0,0|1,0,0]=3 134 B11R2.10 N[C@H]1CC2=CC=CN=C2C1 AT25949 [0,0,1,1,0,0|1,0,0]=3 135 B9R1.12 NCCCC1=CN=CN1 97527 [0,0,1,0,1,0|2,0,0]=4 136 B9R1.12 NCCCC1=CN=CN1 P16679 [0,0,1,0,1,0|2,0,0]=4 137 B13R2.31 Br[C@H]1C[C@@H](OC2=CC=CC=C2)C1 E73063 [0,0,0,0,0,2|1,0,0]=3 138 B13R2.31 NC1CC(CC2=CC=CC=C2)C1 67221 [0,0,0,0,0,2|0,0,0]=2 139 B13R2.31 O=C1C[C@H](SC2=CC=CC=C2)N1 P12916 [0,0,0,0,0,2|1,0,1]=4 140 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94454 [0,0,0,0,0,2|1,0,1]=4 141 B13R2.10 OC1CNC(C2=CC=CC=C2)C1 AT24300 [0,0,0,0,0,2|1,0,0]=3 142 B13R2.10 O[C@@H]1CN[C@H](C2=CC=CC=C2)C1 AT24302 [0,0,0,0,0,2|1,0,0]=3 143 B13R2.10 O[C@H]1CN[C@H](C2=CC=CC=C2)C1 AT24301 [0,0,0,0,0,2|1,0,0]=3 144 B13R2.15 CC1CCNC1C2=CC=CC=C2 E73234 [0,0,0,0,0,2|1,0,0]=3 145 B13R2.15 O=C1COC[C@@H]1C2=CC=CC=C2 E73015 [0,0,0,0,0,2|1,0,1]=4