0 B10R1.18 CC(=O)NC1=CN=CN=C1 F18145 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 NC(=O)CC1=CN=CN=C1 FD7229 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.8 BrC#CC1=CN=CC=C1 50128 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.8 BrCCC1=CN=CC=C1 C77647 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,0,0,0,0,0|0,0,0]=1 14 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 CCNC1=NC=CN=C1 C76036 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 CNCC1=CN=CN=C1 38577 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 CNNC1=CC=CC=C1 C77159 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.8 FCCC1=CC=CC=C1 75534 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 NCCC1=CC=CC=C1 T71816 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 NCCC1=CC=CC=C1 T72591 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 NCCC1=NC=CN=C1 AT22557 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 NNCC1=NC=CN=C1 D78817 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 NNCC1=NC=CN=C1 P19174 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.8 OCCC1=CC=NC=C1 T72404 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.8 OCCC1=NN=CC=C1 D77083 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 SCCC1=NC=CC=C1 F18309 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.20 CC(C)OC1=CN=C(Cl)N=C1 AT18453 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.20 CN(C)CC1=CN=C(Cl)C=C1 D76265 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.20 CN(C)CC1=CN=C(N)C=C1 N12638 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y11268 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N10873 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.36 C=C(C1=CC=CC=C1)C(C)C W11468 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 N12821 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 74043 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y10672 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.36 CC(C)[C@H](O)C1=CN=CC=C1 AC2743 [0,1,0,0,0,0|0,0,0]=1 41 B11R1.36 CC(O)C(N)C1=CC=CC=C1 N11175 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Y13368 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.36 CC(O)[C@H](N)C1=CC=CC=C1 N15517 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15522 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 F13376 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15519 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AT21867 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.36 N[C@H](C1=CC=CC=C1)C(F)F 94363 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21493 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.40 COC(=O)CC1=CN=CN=C1 AT13806 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.40 O=C(CCl)NC1=CN=CC=C1 C78463 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.86 CC(=O)NC1=C(C)N=CC=C1 F14250 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.86 CC(=O)NC1=C(N)C=CN=C1 C16214 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.86 CC(C)CC1=NC=CN=C1O 43967 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.86 CC(C)NC1=C(Br)C=CC=C1 C77931 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.86 CC(C)NC1=C(Cl)C=CC=C1 C78464 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.86 CC(C)NC1=C(F)C=CC=C1 C77765 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.86 CC(C)NC1=C(S)C=CC=C1 AC8476 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.86 CC(C)OC1=C(I)C=CC=N1 76901 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.86 CC(C)OC1=C(N)C=CN=C1 AT18128 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.86 CC1=C(C[C@H](C)N)C=CC=C1 N10867 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.86 C[C@H](N)CC1=C(Br)C=CC=C1 N11144 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.86 C[C@H](N)CC1=C(Cl)C=CC=C1 N11063 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.86 C[C@H](O)CC1=C(Br)C=NC=C1 AT12941 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.157 CC(C)CC1=CC=CC(N)=C1 O11024 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.157 CC(C)NC1=CC=CC(Br)=C1 C77831 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.157 CC(C)NC1=CC=CC(Cl)=C1 C78133 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.157 CC(C)NC1=NC=CC(N)=C1 F19784 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.157 CC(C)OC1=CC(Br)=CN=C1 F19749 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.157 CC(C)OC1=CN=CC(Cl)=N1 55121 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.157 CC(C)OC1=NC=CC(N)=C1 AT18134 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.157 CC1=CC=CC(C[C@H](C)N)=C1 N11054 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 E72139 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 83690 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 N11066 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.157 C[C@H](N)CC1=CC=CC(F)=C1 N10878 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.157 C[S@](=O)CC1=CC(N)=CC=C1 AT15220 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.157 FC(F)OC1=CC(Br)=CN=C1 AT26061 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 AT23257 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.509 CC(C)(Cl)CC1=CC=CC=C1 AC4724 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.509 C[Si](C)(C)SC1=CC=CC=C1 D76934 [0,1,0,0,0,0|2,1,0]=4 89 B11R1.509 O=S(=O)(Cl)CC1=CN=CC=C1 AR1640 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.509 [2H]C([2H])([2H])CC1=CC=CC=C1 D99355 [0,1,0,0,0,0|3,0,0]=4 91 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C14923 [0,0,0,1,0,0|2,0,0]=3 92 B11R2.10 CC1=NC2=C(C=NC=C2)O1 A11329 [0,0,0,1,0,0|2,0,1]=4 93 B11R2.10 CC1=NC2=CC=CN=C2N1 F19908 [0,0,0,1,0,0|2,0,1]=4 94 B11R2.10 CC1=NC2=CC=CN=C2S1 75584 [0,0,0,1,0,0|2,0,1]=4 95 B11R2.10 O=C1CC2=C(C=NC=C2)N1 61718 [0,0,0,1,0,0|2,0,1]=4 96 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [0,0,0,0,1,0|2,0,0]=3 97 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [0,0,0,0,1,0|3,0,0]=4 98 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [0,0,0,0,1,0|1,0,0]=2 99 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [0,0,0,0,1,0|3,0,0]=4 100 B9R1.6 C[C@H](N)C1=CN=CN=C1 P14618 [0,0,0,0,1,0|2,0,0]=3 101 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [0,0,0,0,1,0|3,0,0]=4 102 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [0,0,0,0,1,0|2,0,0]=3 103 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [0,0,0,0,1,0|2,0,0]=3 104 B9R1.13 CC(=O)CC1=CSC=C1 66590 [0,0,0,0,1,0|2,0,1]=4 105 B9R1.13 CC(=O)CN1C=CC=N1 AT23998 [0,0,0,0,1,0|2,0,1]=4 106 B9R1.13 C[C@H](N)CC1=COC=C1 89732 [0,0,0,0,1,0|2,0,0]=3 107 B9R1.13 C[C@H](N)CC1=COC=C1 89733 [0,0,0,0,1,0|2,0,0]=3 108 B9R1.13 C[C@H](N)CC1=COC=C1 89734 [0,0,0,0,1,0|2,0,0]=3 109 B9R1.13 C[C@H](N)CC1=CSC=C1 89730 [0,0,0,0,1,0|2,0,0]=3 110 B9R1.13 C[C@H](N)CC1=NNC=C1 I11135 [0,0,0,0,1,0|2,0,0]=3 111 B9R1.13 C[C@H](N)CN1C=NC=N1 AT12353 [0,0,0,0,1,0|3,0,0]=4 112 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [0,0,0,0,1,0|2,0,0]=3 113 B9R1.13 C[C@H](O)CC1=CSC=C1 58210 [0,0,0,0,1,0|2,0,0]=3 114 B9R1.13 C[C@H](O)CC1=CSC=C1 58214 [0,0,0,0,1,0|2,0,0]=3 115 B9R1.13 C[C@H](O)CC1=CSC=C1 58218 [0,0,0,0,1,0|2,0,0]=3 116 B11R1.91 CC(C)NCC1=CC=CN=C1 AC5151 [0,0,0,0,0,1|0,0,0]=1 117 B11R1.91 CC(C)NCC1=CC=NC=C1 AC6648 [0,0,0,0,0,1|2,0,0]=3 118 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [0,0,0,0,0,1|2,0,0]=3 119 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [0,0,0,0,0,1|2,0,0]=3 120 B11R1.91 C[C@H](N)CSC1=CC=CC=C1 AT26670 [0,0,0,0,0,1|2,0,0]=3 121 B8R1.2 BrCC1=CN=CN=C1 F52462 [2,0,0,0,0,0|2,0,0]=4 122 B8R1.2 C=CC1=CC=CN=C1 71366 [2,0,0,0,0,0|0,0,2]=4 123 B8R1.2 CNC1=CC=CN=N1 79165 [2,0,0,0,0,0|2,0,0]=4 124 B8R1.2 NCC1=CC=CC=C1 T70846 [2,0,0,0,0,0|2,0,0]=4 125 B8R1.2 SCC1=NC=CN=C1 78318 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.1 CC1=NC=C(CC#N)C=C1 54748 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.1 CCNC1=CC=C(C)N=N1 AT18438 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.1 O=C1N=CC(CCO)=CN1 AT18210 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.1 OCCC1=CN=C(S)N=C1 AT18279 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.4 CCCC1=CN=CN=C1Cl F11792 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.4 CCNC1=CC=CN=C1O F30124 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.4 CCNC1=NC=CN=C1Cl AT24639 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.4 CCOC1=C(N)N=CN=C1 O11423 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.4 NC1=C(CCF)C=NC=C1 P14647 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.4 NCCN1C=CC=NC1=O AT13871 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.4 NCCN1C=NC=CC1=O AT13878 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.4 O=C1C=CN=CN1CCO AT13876 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.10 CCNC1=CN=CC(Cl)=N1 F15512 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.10 COCC1=CC(N)=CC=C1 30379 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.10 N#CCC1=CC(Cl)=CN=C1 93159 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.10 NNCC1=CC(Br)=CN=C1 P11105 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.15 C#C[C@@H](O)C1=CN=CC=C1 AC5787 [1,1,0,0,0,0|0,0,2]=4 163 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [1,1,0,0,0,0|1,0,0]=3 164 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [1,1,0,0,0,0|1,0,0]=3 166 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [1,1,0,0,0,0|1,0,0]=3 171 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.17 CCCCC1=CC=CN=N1 O10974 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.17 CNCCC1=CC=CN=C1 C73747 [1,1,0,0,0,0|0,0,0]=2 176 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.17 FCCNC1=CC=CC=C1 D77931 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.17 NOCCC1=CC=CC=C1 C10179 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.17 OCCCC1=CCC=CC1 72320 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [1,1,0,0,0,0|0,0,0]=2 182 B10R1.17 SCCCC1=CN=CC=C1 F18019 [1,1,0,0,0,0|0,0,0]=2 183 B10R1.17 SCCCC1=NC=CC=C1 F18728 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.13 CC(C)C1=NN=C(Br)C=C1 C14147 [0,1,0,0,1,0|1,0,0]=3 185 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56573 [0,1,0,0,1,0|2,0,0]=4 186 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [0,1,0,0,1,0|1,0,0]=3 187 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [0,1,0,0,1,0|1,0,0]=3 188 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10886 [0,1,0,0,1,0|2,0,0]=4 189 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10887 [0,1,0,0,1,0|2,0,0]=4 190 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 C90363 [0,1,0,0,1,0|2,0,0]=4 191 B10R1.13 CC1=NC=C([C@H](C)O)C=N1 AT10878 [0,1,0,0,1,0|2,0,0]=4 192 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [0,1,0,0,1,0|2,0,0]=4 193 B10R1.13 CN(C)C1=CN=C(I)C=N1 O11454 [0,1,0,0,1,0|2,0,0]=4 194 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [0,1,0,0,1,0|2,0,0]=4 195 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [0,1,0,0,1,0|2,0,0]=4 196 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 N11221 [0,1,0,0,1,0|1,0,0]=3 197 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [0,1,0,0,1,0|1,0,0]=3 198 B10R1.13 NC1=NC=C(C(F)F)C=C1 W16938 [0,1,0,0,1,0|2,0,0]=4 199 B10R1.28 CC(C)(C)C1=NC=CC=C1 C75774 [0,1,0,0,1,0|2,0,0]=4 200 B10R1.28 CC(C)(C)C1=NC=CN=C1 T70779 [0,1,0,0,1,0|1,0,0]=3 201 B10R1.28 ClC(Cl)(Cl)C1=CN=CC=C1 C71811 [0,1,0,0,1,0|2,0,0]=4 202 B10R1.28 [2H]C(C)(C)C1=CC=CC=C1 D98007 [0,1,0,0,1,0|1,0,0]=3 203 B10R1.28 [2H]C([2H])(C)C1=CC=CC=C1 D99069 [0,1,0,0,1,0|2,0,0]=4 204 B10R1.28 [2H][C@@](C)(O)C1=CC=CC=C1 D98825 [0,1,0,0,1,0|2,0,0]=4 205 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [0,1,0,0,1,0|1,0,1]=4 206 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [0,1,0,0,1,0|1,0,1]=4 207 B10R1.61 CC(C)C1=CN=CN=C1Cl H10240 [0,1,0,0,1,0|1,0,0]=3 208 B10R1.61 CC(C)C1=NC=CN=C1Cl AT24532 [0,1,0,0,1,0|1,0,0]=3 209 B10R1.61 CC(C)C1=NC=CN=C1N 60031 [0,1,0,0,1,0|1,0,0]=3 210 B10R1.61 CC(C)C1=NC=CN=C1N W15952 [0,1,0,0,1,0|1,0,0]=3 211 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [0,1,0,0,1,0|1,0,0]=3 212 B10R1.61 C[C@H](Br)C1=C(Cl)C=CC=C1 C77623 [0,1,0,0,1,0|2,0,0]=4 213 B10R1.61 C[C@H](Cl)C1=C(Cl)C=CC=C1 A11172 [0,1,0,0,1,0|2,0,0]=4 214 B10R1.61 C[C@H](N)C1=CC=CN=C1N P19332 [0,1,0,0,1,0|1,0,0]=3 215 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [0,1,0,0,1,0|1,0,0]=3 216 B10R1.61 FC(F)C1=CC=CN=C1Br 79327 [0,1,0,0,1,0|2,0,0]=4 217 B10R1.113 CC(C)C1=CC(Cl)=NC=C1 D71924 [0,1,0,0,1,0|2,0,0]=4 218 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [0,1,0,0,1,0|1,0,0]=3 219 B10R1.113 CN(C)C1=CC(Br)=CN=C1 N10343 [0,1,0,0,1,0|1,0,0]=3 220 B10R1.113 C[C@H](Br)C1=CC(Cl)=CC=C1 55213 [0,1,0,0,1,0|2,0,0]=4 221 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=C1 55217 [0,1,0,0,1,0|2,0,0]=4 222 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 90822 [0,1,0,0,1,0|1,0,0]=3 223 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 90825 [0,1,0,0,1,0|1,0,0]=3 224 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N10537 [0,1,0,0,1,0|1,0,0]=3 225 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N13087 [0,1,0,0,1,0|1,0,0]=3 226 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70883 [0,1,0,0,1,0|2,0,0]=4 227 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y11581 [0,1,0,0,1,0|2,0,0]=4 228 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 F16880 [0,1,0,0,1,0|2,0,0]=4 229 B10R1.113 C[C@H](O)C1=CC(F)=CN=C1 AT10686 [0,1,0,0,1,0|1,0,0]=3 230 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [0,1,0,0,1,0|2,0,0]=4 231 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [0,1,0,0,1,0|2,0,0]=4 232 B10R1.113 FC(F)C1=CC(Cl)=CN=C1 94167 [0,1,0,0,1,0|2,0,0]=4 233 B10R1.23 CC(C)[C@H](N)C1=CC=CO1 N16714 [0,1,0,0,1,0|1,0,0]=3 234 B10R1.23 CC(C)[C@H](N)C1=COC=C1 N16723 [0,1,0,0,1,0|1,0,0]=3 235 B10R1.23 CC(C)[C@H](N)C1=COC=C1 N16724 [0,1,0,0,1,0|1,0,0]=3 236 B10R1.23 CC(C)[C@H](N)C1=NC=CS1 N14681 [0,1,0,0,1,0|1,0,0]=3 237 B10R1.23 CC(C)[C@H](N)C1=NC=CS1 N14682 [0,1,0,0,1,0|1,0,0]=3 238 B10R1.23 CC(O)C(N)C1=CC=CO1 N16789 [0,1,0,0,1,0|2,0,0]=4 239 B10R1.23 CC(O)C(N)C1=COC=C1 N16790 [0,1,0,0,1,0|2,0,0]=4 240 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16786 [0,1,0,0,1,0|2,0,0]=4 241 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16788 [0,1,0,0,1,0|2,0,0]=4 242 B10R1.23 C[C@@H](O)[C@H](N)C1=COC=C1 N16791 [0,1,0,0,1,0|2,0,0]=4 243 B10R1.23 C[C@@H](O)[C@H](N)C1=COC=C1 N16793 [0,1,0,0,1,0|2,0,0]=4 244 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16785 [0,1,0,0,1,0|2,0,0]=4 245 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16787 [0,1,0,0,1,0|2,0,0]=4 246 B10R1.23 C[C@H](O)[C@H](N)C1=COC=C1 N16792 [0,1,0,0,1,0|2,0,0]=4 247 B10R1.27 NC[C@H](O)CN1C=CC=N1 AT15769 [0,1,0,0,1,0|2,0,0]=4 248 B10R1.54 CC(C)CC1=NC(Br)=NN1 AT12527 [0,1,0,0,1,0|2,0,0]=4 249 B10R1.54 CC(C)CC1=NN=C(Br)S1 AT19526 [0,1,0,0,1,0|2,0,0]=4 250 B10R1.54 CC(C)CC1=NN=C(N)S1 F17068 [0,1,0,0,1,0|2,0,0]=4 251 B10R1.54 CC(C)CN1C=C(O)C=N1 AT11884 [0,1,0,0,1,0|1,0,0]=3 252 B10R1.54 CN(C)CC1=CSC(Br)=C1 F30516 [0,1,0,0,1,0|2,0,0]=4 253 B10R1.281 CC(C)(O)CC1=CSC=C1 F13451 [0,1,0,0,1,0|1,0,0]=3 254 B10R1.281 C[N+](C)(C)CC1=CC=CN1 AC9514 [0,1,0,0,1,0|1,0,1]=4 255 B12R1.21 CC(=O)NCC1=CN=C(Cl)C=C1 F12000 [0,1,0,0,0,1|1,0,1]=4 256 B12R1.21 CC(C)NCC1=CC=C(Br)C=C1 C78335 [0,1,0,0,0,1|1,0,0]=3 257 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 C78202 [0,1,0,0,0,1|1,0,0]=3 258 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 C77883 [0,1,0,0,0,1|1,0,0]=3 259 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 C78416 [0,1,0,0,0,1|1,0,0]=3 260 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 C78123 [0,1,0,0,0,1|2,0,0]=4 261 B12R1.21 C[C@H](N)CCC1=CC=C(Br)C=C1 84991 [0,1,0,0,0,1|2,0,0]=4 262 B12R1.21 C[C@H](N)CCC1=CC=C(O)C=C1 N14377 [0,1,0,0,0,1|2,0,0]=4 263 B12R1.21 C[C@H](N)COC1=CC=C(Br)C=C1 C78409 [0,1,0,0,0,1|2,0,0]=4 264 B12R1.21 C[C@H](N)COC1=CC=C(F)C=C1 C77796 [0,1,0,0,0,1|2,0,0]=4 265 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 C10570 [0,1,0,0,0,1|1,0,1]=4 266 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 AT22580 [0,1,0,0,0,1|1,0,0]=3 267 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 F50499 [0,1,0,0,0,1|1,0,1]=4 268 B12R1.107 CC(C)CC(=O)C1=CN=CC=C1 F30170 [0,1,0,0,0,1|0,0,0]=2 269 B12R1.107 CC(C)CC(=O)C1=NC=CC=C1 F30232 [0,1,0,0,0,1|2,0,0]=4 270 B12R1.107 CC(C)C[C@H](N)C1=CC=NC=C1 AC7589 [0,1,0,0,0,1|2,0,0]=4 271 B12R1.107 CC(C)C[C@H](O)C1=CN=CC=C1 F50992 [0,1,0,0,0,1|0,0,0]=2 272 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 A11925 [0,1,0,0,0,1|1,0,0]=3 273 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 C78399 [0,1,0,0,0,1|2,0,0]=4 274 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 C78572 [0,1,0,0,0,1|1,0,0]=3 275 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 C78237 [0,1,0,0,0,1|1,0,0]=3 276 B12R1.125 CC(C)NCC1=C(F)C=CC=C1 C78588 [0,1,0,0,0,1|1,0,0]=3 277 B12R1.125 CC(C)OCC1=C(Br)C=CC=C1 N10193 [0,1,0,0,0,1|1,0,0]=3 278 B12R1.226 CC(C)NCC1=CC=CC(Br)=C1 C77759 [0,1,0,0,0,1|1,0,0]=3 279 B12R1.226 CC(C)NCC1=CC=CC(Cl)=C1 C78565 [0,1,0,0,0,1|1,0,0]=3 280 B12R1.226 CC(C)NCC1=CC=CC(F)=C1 C78564 [0,1,0,0,0,1|1,0,0]=3 281 B12R1.226 CC(C)OCC1=CC(N)=CC=C1 F20261 [0,1,0,0,0,1|1,0,0]=3 282 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 C78583 [0,1,0,0,0,1|1,0,0]=3 283 B12R1.226 CC1=CC=CC(OC[C@H](C)N)=C1 F50497 [0,1,0,0,0,1|2,0,0]=4 284 B12R1.4 CC(C)SC1=CC=C(CCl)C=C1 AT20997 [0,2,0,0,0,0|2,0,0]=4 285 B12R1.4 CC(C)SC1=CC=C(CO)C=C1 AT20984 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [0,2,0,0,0,0|2,0,0]=4 287 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [0,2,0,0,0,0|2,0,0]=4 288 B12R1.19 CC(C)CC1=CC(Br)=C(N)N=C1 N10717 [0,2,0,0,0,0|0,0,0]=2 289 B12R1.19 C[C@H](N)CC1=CC(Cl)=C(Cl)C=C1 N10880 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.19 C[C@H](N)CC1=CC(F)=C(F)C=C1 N11068 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.19 C[C@H](N)CC1=CC(F)=C(F)C=C1 N14355 [0,2,0,0,0,0|2,0,0]=4 292 B12R1.20 CC(C)C(=O)C1=CN=C(Cl)C=C1 N14276 [0,2,0,0,0,0|0,0,1]=3 293 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 N12796 [0,2,0,0,0,0|1,0,0]=3 294 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 N12886 [0,2,0,0,0,0|1,0,0]=3 295 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 C78465 [0,2,0,0,0,0|1,0,0]=3 296 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 F31298 [0,2,0,0,0,0|1,0,0]=3 297 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 N12546 [0,2,0,0,0,0|1,0,0]=3 298 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 N12875 [0,2,0,0,0,0|1,0,0]=3 299 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 26032 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.20 CC(O)C(N)C1=CC=C(Br)C=C1 N15665 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.20 CC(O)C(N)C1=CC=C(Cl)C=C1 N15654 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.20 CC(O)C(N)C1=CC=C(F)C=C1 N15651 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.20 CC(O)C(N)C1=CC=C(N)C=C1 N16144 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.20 CC(O)C(N)C1=CC=C(O)C=C1 N15674 [0,2,0,0,0,0|2,0,0]=4 305 B12R1.20 CC(O)[C@H](N)C1=CC=C(Br)C=C1 N15664 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.20 CC(O)[C@H](N)C1=CC=C(Cl)C=C1 N15655 [0,2,0,0,0,0|2,0,0]=4 307 B12R1.20 CC(O)[C@H](N)C1=CC=C(F)C=C1 N15650 [0,2,0,0,0,0|2,0,0]=4 308 B12R1.20 CC(O)[C@H](N)C1=CC=C(O)C=C1 N15675 [0,2,0,0,0,0|2,0,0]=4 309 B12R1.20 CC1=CC=C(C(N)C(C)O)C=C1 N15701 [0,2,0,0,0,0|2,0,0]=4 310 B12R1.20 CC1=CC=C([C@@H](N)C(C)O)C=C1 N15702 [0,2,0,0,0,0|2,0,0]=4 311 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15703 [0,2,0,0,0,0|2,0,0]=4 312 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15705 [0,2,0,0,0,0|2,0,0]=4 313 B12R1.20 CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15704 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.20 C[C@@H](C1=CC=C(Br)C=C1)N(C)C N11474 [0,2,0,0,0,0|2,0,0]=4 315 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15660 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15662 [0,2,0,0,0,0|2,0,0]=4 317 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15657 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15659 [0,2,0,0,0,0|2,0,0]=4 319 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(F)C=C1 N15647 [0,2,0,0,0,0|2,0,0]=4 320 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(F)C=C1 N15649 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(N)C=C1 N16141 [0,2,0,0,0,0|2,0,0]=4 322 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(N)C=C1 N16143 [0,2,0,0,0,0|2,0,0]=4 323 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15676 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15678 [0,2,0,0,0,0|2,0,0]=4 325 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15661 [0,2,0,0,0,0|2,0,0]=4 326 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15656 [0,2,0,0,0,0|2,0,0]=4 327 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(F)C=C1 N15648 [0,2,0,0,0,0|2,0,0]=4 328 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(N)C=C1 N16142 [0,2,0,0,0,0|2,0,0]=4 329 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(O)C=C1 N15677 [0,2,0,0,0,0|2,0,0]=4 330 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78159 [0,2,0,0,0,0|2,0,0]=4 331 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78527 [0,2,0,0,0,0|2,0,0]=4 332 B12R1.49 CC[C@H](N)CC1=CC=C(C)C=C1 N12825 [0,2,0,0,0,0|2,0,0]=4 333 B12R1.49 CC[C@H](N)CC1=CC=C(Cl)C=C1 N14547 [0,2,0,0,0,0|2,0,0]=4 334 B12R1.49 CC[C@H](N)CC1=CC=C(F)C=C1 N14543 [0,2,0,0,0,0|2,0,0]=4 335 B12R1.49 CC[C@H](N)CC1=CC=C(I)C=C1 85182 [0,2,0,0,0,0|2,0,0]=4 336 B12R1.49 CN[C@@H](C)CC1=CC=C(F)C=C1 N12809 [0,2,0,0,0,0|1,0,0]=3 337 B12R1.49 COC(=O)CC1=CN=C(N)C=C1 D71900 [0,2,0,0,0,0|1,0,1]=4 338 B12R1.49 C[C@@H](CN)OC1=CC=C(Cl)C=C1 C77969 [0,2,0,0,0,0|2,0,0]=4 339 B12R1.49 C[C@H](C=O)CC1=CC=C(Cl)C=C1 C76805 [0,2,0,0,0,0|1,0,1]=4 340 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11240 [0,2,0,0,0,0|2,0,0]=4 341 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78517 [0,2,0,0,0,0|2,0,0]=4 342 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 AT10694 [0,2,0,0,0,0|2,0,0]=4 343 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 C78160 [0,2,0,0,0,0|2,0,0]=4 344 B12R1.49 N[C@H](CO)CC1=CC=C(I)C=C1 85183 [0,2,0,0,0,0|2,0,0]=4 345 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 C78266 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.106 CC(C)(C)OC1=CN=C(Br)C=N1 75477 [0,2,0,0,0,0|2,0,0]=4 347 B12R1.106 CC(C)(C)SC1=CC=C(N)C=C1 AT20975 [0,2,0,0,0,0|2,0,0]=4 348 B12R1.106 CC(C)(N)CC1=CC=C(O)C=C1 F30911 [0,2,0,0,0,0|1,0,0]=3 349 B12R1.106 CC(C)(O)CC1=CC=C(Br)C=C1 AT24485 [0,2,0,0,0,0|1,0,0]=3 350 B12R1.233 CC(C)OC1=C(Br)C=C(Cl)C=C1 C91609 [0,2,0,0,0,0|2,0,0]=4 351 B12R1.233 CN(C)CC1=C(F)C=C(Br)C=C1 N11554 [0,2,0,0,0,0|2,0,0]=4 352 B12R1.233 C[C@H](N)CC1=C(Cl)C=C(Cl)C=C1 N11064 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.233 C[C@H](N)CC1=C(Cl)C=C(F)C=C1 N11062 [0,2,0,0,0,0|2,0,0]=4 354 B12R1.34 CC[C@H](C)C(=O)C1=CC=CC=C1 N13974 [0,2,0,0,0,0|1,0,1]=4 355 B12R1.34 COC(=O)[C@H](C)C1=CN=CC=C1 P11935 [0,2,0,0,0,0|1,0,1]=4 356 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 23172 [0,2,0,0,0,0|2,0,0]=4 357 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 AT23147 [0,2,0,0,0,0|2,0,0]=4 358 B12R1.124 CC(C)C(=O)C1=C(Br)C=CC=C1 N13960 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.124 CC(C)C(=O)C1=CC=CN=C1Br N14266 [0,2,0,0,0,0|0,0,1]=3 360 B12R1.124 CC(C)[C@H](N)C1=C(F)C=CC=C1 N13028 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.124 CC(C)[C@H](N)C1=C(N)C=CC=C1 N13005 [0,2,0,0,0,0|1,0,0]=3 362 B12R1.124 CC(O)C(N)C1=C(Br)C=CC=C1 N15549 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.124 CC(O)C(N)C1=C(Cl)C=CC=C1 N15543 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.124 CC(O)C(N)C1=C(F)C=CC=C1 N15535 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.124 CC(O)C(N)C1=C(O)C=CC=C1 N15626 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.124 CC(O)[C@H](N)C1=C(Cl)C=CC=C1 N15541 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.124 CC(O)[C@H](N)C1=C(F)C=CC=C1 N15534 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.124 CC(O)[C@H](N)C1=C(O)C=CC=C1 N15627 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.124 CC1=C(C(=O)C(C)C)C=CC=C1 N12569 [0,2,0,0,0,0|1,0,1]=4 370 B12R1.124 CC1=C(C(N)C(C)O)C=CC=C1 N15523 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.124 CC1=C([C@@H](N)C(C)C)C=CC=C1 N12591 [0,2,0,0,0,0|1,0,0]=3 372 B12R1.124 CC1=C([C@@H](N)C(C)O)C=CC=C1 N15525 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.124 CC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15527 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.124 CC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15529 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.124 CC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15526 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13862 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13863 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13867 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13868 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13869 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15544 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15546 [0,2,0,0,0,0|2,0,0]=4 383 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15537 [0,2,0,0,0,0|2,0,0]=4 384 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15539 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.124 C[C@@H](O)[C@H](N)C1=C(F)C=CC=C1 N15530 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.124 C[C@@H](O)[C@H](N)C1=C(F)C=CC=C1 N15532 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.124 C[C@@H](O)[C@H](N)C1=C(N)C=CC=C1 N16152 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.124 C[C@@H](O)[C@H](N)C1=C(N)C=CC=C1 N16154 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.124 C[C@@H](O)[C@H](N)C1=C(O)C=CC=C1 N15629 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.124 C[C@@H](O)[C@H](N)C1=C(O)C=CC=C1 N15631 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.124 C[C@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15548 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.124 C[C@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15538 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.124 C[C@H](O)[C@H](N)C1=C(F)C=CC=C1 N15531 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.124 C[C@H](O)[C@H](N)C1=C(N)C=CC=C1 N16153 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.124 C[C@H](O)[C@H](N)C1=C(O)C=CC=C1 N15628 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.225 CC(C)C(=O)C1=CC(Br)=CN=C1 N14272 [0,2,0,0,0,0|0,0,1]=3 397 B12R1.225 CC(C)C(=O)C1=CC=CC(Cl)=C1 N13957 [0,2,0,0,0,0|1,0,1]=4 398 B12R1.225 CC(C)C(=O)C1=CC=CC(F)=C1 N13951 [0,2,0,0,0,0|1,0,1]=4 399 B12R1.225 CC(O)C(N)C1=CC(N)=CC=C1 N16147 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.225 CC(O)C(N)C1=CC=CC(Br)=C1 N15614 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.225 CC(O)C(N)C1=CC=CC(Cl)=C1 N15637 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.225 CC(O)C(N)C1=CC=CC(F)=C1 N15640 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.225 CC(O)C(N)C1=CC=CC(O)=C1 N15625 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.225 CC(O)[C@H](N)C1=CC(N)=CC=C1 N16148 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.225 CC(O)[C@H](N)C1=CC=CC(Br)=C1 N15615 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.225 CC(O)[C@H](N)C1=CC=CC(Cl)=C1 N15636 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.225 CC(O)[C@H](N)C1=CC=CC(F)=C1 N15641 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.225 CC(O)[C@H](N)C1=CC=CC(O)=C1 N15624 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.225 CC1=CC=CC([C@@H](N)C(C)C)=C1 N13039 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.225 C[C@@H](O)[C@H](N)C1=CC(N)=CC=C1 N16149 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.225 C[C@@H](O)[C@H](N)C1=CC(N)=CC=C1 N16151 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15617 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15619 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15632 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15634 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(F)=C1 N15642 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(F)=C1 N15644 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(O)=C1 N15620 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(O)=C1 N15622 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.225 C[C@H](N)[C@H](O)C1=CC=CC(O)=C1 F18205 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.225 C[C@H](O)[C@H](N)C1=CC(N)=CC=C1 N16150 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15635 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(F)=C1 N15643 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(O)=C1 N15621 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.253 CC(C)[C@](C)(O)C1=NC=CN=C1 F50271 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.564 CC(C)(C)C(=O)C1=CN=CN=C1 F18705 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CN=C1 F30932 [0,2,0,0,0,0|0,0,0]=2 428 B12R1.564 CC(C)(C)[C@H](N)C1=CC=NC=C1 F30933 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.564 CC(C)(C)[C@H](N)C1=NC=CC=C1 F30931 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.564 CC(C)(N)C(=O)C1=CC=CC=C1 72852 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 AT21614 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 C14174 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.564 N[C@H](C1=CN=CC=C1)C(F)(F)F 79814 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.564 N[C@H](C1=CN=CC=C1)C(F)(F)F 79817 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.564 N[C@H](C1=CN=CC=C1)C(F)(F)F 91653 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.564 N[C@H](C1=CN=CC=C1)C(F)(F)F 91654 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.32 C#CCN(C)CC1=CC=CC=C1 T72610 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.32 CON[C@@H](C)CC1=CC=CC=C1 D79919 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78461 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.50 CC[C@H](N)CC1=CC(C)=CC=C1 N14536 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.50 CC[C@H](N)CC1=CC=CC(Br)=C1 N14532 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.50 CC[C@H](N)CC1=CC=CC(Cl)=C1 N14527 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.50 CC[C@H](N)CC1=CC=CC(F)=C1 N14524 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.50 CN[C@@H](C)CC1=CC=CC(F)=C1 N12793 [0,2,0,0,0,0|1,0,0]=3 445 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78100 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78242 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 Y11238 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11307 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12975 [0,2,0,0,0,0|1,0,0]=3 450 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 C76076 [0,2,0,0,0,0|1,0,0]=3 451 B12R1.118 NC[C@@H](CO)CC1=CC=NC=C1 C90589 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 C78603 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 N11149 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.371 CC1=C(O[C@@H](C)CN)C=CC=C1 F50684 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.371 CC[C@H](N)CC1=C(Br)C=CC=C1 N14510 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.371 CC[C@H](N)CC1=C(C)C=CC=C1 N14512 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.371 CC[C@H](N)CC1=C(Cl)C=CC=C1 N14502 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.371 CC[C@H](N)CC1=C(F)C=CC=C1 N14507 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.371 NC[C@@H](N)CC1=C(F)C=CC=C1 N14640 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.371 N[C@H](CO)CC1=C(Br)C=CC=C1 C77829 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11299 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11304 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11418 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.75 CC(C)OC1=C(CN)C=CC=C1 S10925 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.75 CN(C)CC1=C(CN)C=CC=C1 C90142 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 N11278 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 N11279 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.127 CC(C)NC1=C(N)C=CC(Br)=C1 AC2781 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.127 CC(C)OC1=C(N)C=CC(Br)=C1 53627 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.127 CC(C)OC1=C(N)C=CC(Cl)=C1 95905 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.127 CN(C)CC1=C(Cl)C=CC(Br)=C1 N11590 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.127 CN(C)CC1=C(Cl)C=CC(N)=C1 AT11207 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.127 CN(C)CC1=C(F)C=CC(Br)=C1 N10241 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.127 C[C@H](N)CC1=C(F)C=CC(F)=C1 N11067 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.151 CC(C)(C)SC1=C(N)N=CC=C1 38171 [0,2,0,0,0,0|1,0,0]=3 476 B12R1.151 CC(C)(O)CC1=C(Br)C=NC=C1 AT12939 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.224 CC(C)NC1=NN=CC(Cl)=C1N 91280 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.224 CC(C)OC1=C(F)C(O)=CC=C1 AT21292 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.224 CC1=C(Br)C=CC=C1NC(C)C 96869 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.224 C[C@H](N)CC1=CC=CC(Cl)=C1Cl N11069 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.1009 C[C@H](N)CC1=C(Cl)C=CC=C1Cl N11065 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.101 CC1=CC(Br)=CC(CN(C)C)=C1 N11538 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.119 CC(C)(O)CC1=CC=CC(Br)=C1 AT24484 [0,2,0,0,0,0|1,0,0]=3 484 B12R1.438 COC1=CC(C[C@H](C)N)=CC=C1 N10869 [0,2,0,0,0,0|2,0,0]=4 485 B10R2.6 C1=CC(C2CC2)=CC=N1 59829 [1,0,0,1,0,0|2,0,0]=4 486 B10R2.7 C1=CN=C2CNCC2=N1 F12463 [1,0,0,1,0,0|2,0,0]=4 487 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [1,0,0,1,0,0|1,0,0]=3 488 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [1,0,0,1,0,0|2,0,0]=4 489 B10R2.7 C1=NC=C2CCNC2=N1 93647 [1,0,0,1,0,0|2,0,0]=4 490 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [1,0,0,1,0,0|2,0,0]=4 491 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [1,0,0,1,0,0|2,0,0]=4 492 B10R2.5 N[C@H]1C[C@@H]1C2=CSC=C2 AT16875 [0,0,0,1,1,0|2,0,0]=4 493 B12R2.22 BrC1CC(C2=CC=CC=C2)C1 AT17150 [0,0,0,1,0,1|2,0,0]=4 494 B12R2.22 NC1CC(C2=CC=CN=C2)C1 F53675 [0,0,0,1,0,1|1,0,0]=3 495 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P20296 [0,0,0,1,0,1|2,0,0]=4 496 B12R2.22 NC1CN(C2=CN=CN=C2)C1 P17711 [0,0,0,1,0,1|2,0,0]=4 497 B12R2.22 NC1CN(C2=CN=CN=C2)C1 P20462 [0,0,0,1,0,1|2,0,0]=4 498 B12R2.22 O=C1CC(C2=CN=CC=C2)C1 F53801 [0,0,0,1,0,1|1,0,1]=4 499 B12R2.22 OC1CC(C2=CC=CC=C2)C1 91859 [0,0,0,1,0,1|2,0,0]=4 500 B12R2.24 Br[C@H]1CCC2=C(C=CC=C2)C1 F13406 [0,0,0,1,0,1|2,0,0]=4 501 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 F50994 [0,0,0,1,0,1|1,0,0]=3 502 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 12711 [0,0,0,1,0,1|1,0,0]=3 503 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 C74526 [0,0,0,1,0,1|1,0,0]=3 504 B12R2.24 C[C@H]1CNC2=C(C=CN=C2)O1 AT21909 [0,0,0,1,0,1|1,0,0]=3 505 B12R2.24 C[C@H]1CSC2=C(C=CC=C2)N1 W10084 [0,0,0,1,0,1|2,0,0]=4 506 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 F20762 [0,0,0,1,0,1|2,0,0]=4 507 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F13193 [0,0,0,1,0,1|2,0,0]=4 508 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18883 [0,0,0,1,0,1|2,0,0]=4 509 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18889 [0,0,0,1,0,1|2,0,0]=4 510 B12R2.24 O=C1CC2=C(C=NC=C2)CN1 86461 [0,0,0,1,0,1|1,0,1]=4 511 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 AC5083 [0,0,0,1,0,1|2,0,0]=4 512 B12R2.2403 CC1(C)CNC2=CC=CN=C21 85485 [0,0,0,1,0,1|0,0,0]=2 513 B12R2.79 NC1CC1C2=CC=C(F)C=C2 96610 [0,1,0,1,0,0|2,0,0]=4 514 B12R2.79 NC1CC1C2=CC=C(O)C=C2 AT19453 [0,1,0,1,0,0|2,0,0]=4 515 B12R2.79 NC1CC1C2=CC=C(O)C=C2 D88027 [0,1,0,1,0,0|2,0,0]=4 516 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 96593 [0,1,0,1,0,0|2,0,0]=4 517 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 E72639 [0,1,0,1,0,0|2,0,0]=4 518 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 FD10509 [0,1,0,1,0,0|2,0,0]=4 519 B12R2.294 BrC1=CC=C(NC2CC2)C=C1 AT13548 [0,1,0,1,0,0|2,0,0]=4 520 B12R2.294 BrC1=CC=C(SC2CC2)C=C1 AT24051 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.294 FC1=CC=C(OC2CC2)C=C1 AT21306 [0,1,0,1,0,0|2,0,0]=4 522 B12R2.294 NC1=CC=C(OC2CC2)C=C1 AT11984 [0,1,0,1,0,0|2,0,0]=4 523 B12R2.606 NC1=CC2=C(C=C1)C[C@H](O)C2 94670 [0,1,0,1,0,0|2,0,0]=4 524 B12R2.606 N[C@H]1CC2=C(C=C(Cl)C=C2)C1 C16302 [0,1,0,1,0,0|2,0,0]=4 525 B12R2.606 N[C@H]1CC2=C(C=C(F)C=C2)C1 Y10225 [0,1,0,1,0,0|2,0,0]=4 526 B12R2.606 N[C@H]1CC2=C(C=C(I)C=C2)C1 25202 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.606 N[C@H]1CC2=C(C=C(I)C=C2)C1 36607 [0,1,0,1,0,0|2,0,0]=4 528 B12R2.606 OC1=CC2=C(C=C1)C[C@H](O)C2 F53501 [0,1,0,1,0,0|2,0,0]=4 529 B12R2.18 CN1CC2=C(C=CC=N2)C1=O F18170 [0,1,0,1,0,0|1,0,1]=4 530 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 F13978 [0,1,0,1,0,0|1,0,0]=3 531 B12R2.2075 N[C@H](C1=CC=NC=C1)C2CC2 S11230 [0,1,0,1,0,0|2,0,0]=4 532 B12R2.2075 N[C@H](C1=NC=CC=C1)C2CC2 E70146 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.2075 O[C@H](C1=CC=NC=C1)C2CC2 AC5878 [0,1,0,1,0,0|2,0,0]=4 534 B12R2.27 BrC[C@@H]1C[C@@H]1C2=CC=CC=C2 55233 [0,1,0,1,0,0|1,0,0]=3 535 B12R2.27 BrC[C@H]1C[C@@H]1C2=CC=CC=C2 55239 [0,1,0,1,0,0|1,0,0]=3 536 B12R2.27 O=CC1CC1C2=CC=CC=C2 F52095 [0,1,0,1,0,0|1,0,1]=4 537 B12R2.27 OCC1CC1C2=NC=CC=C2 91729 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.27 OC[C@H]1C[C@@H]1C2=NC=CC=C2 91718 [0,1,0,1,0,0|2,0,0]=4 539 B12R2.32 CNC1CC2=C(C=CC=C2)C1 D86972 [0,1,0,1,0,0|1,0,0]=3 540 B12R2.94 NC1(CC2=CC=CC=C2)CC1 D74695 [0,1,0,1,0,0|1,0,0]=3 541 B12R2.225 BrC1=C(NC2CC2)C=CC=C1 AT17125 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.225 BrC1=C(SC2CC2)C=CC=C1 AT20841 [0,1,0,1,0,0|2,0,0]=4 543 B12R2.225 FC1=C(OC2CC2)C=CC=C1 AT21296 [0,1,0,1,0,0|2,0,0]=4 544 B12R2.225 IC1=C(OC2CC2)C=CC=C1 F53780 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 D86978 [0,1,0,1,0,0|2,0,0]=4 546 B12R2.80 N[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 AC1027 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.80 N[C@H]1C[C@@H]1C2=CC=CC(F)=C2 E72638 [0,1,0,1,0,0|2,0,0]=4 548 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 F51253 [0,0,0,2,0,0|2,0,0]=4 549 B8R1.8 BrCCC1=CC=CS1 F20027 [1,0,0,0,1,0|2,0,0]=4 550 B8R1.8 BrCCC1=CNN=C1 F14413 [1,0,0,0,1,0|2,0,0]=4 551 B8R1.8 CNCC1=CC=NN1 27042 [1,0,0,0,1,0|2,0,0]=4 552 B8R1.8 CNCC1=CC=NN1 AT10969 [1,0,0,0,1,0|2,0,0]=4 553 B8R1.8 CNCC1=CN=CS1 71400 [1,0,0,0,1,0|2,0,0]=4 554 B8R1.8 CNCC1=CSC=C1 AT16803 [1,0,0,0,1,0|2,0,0]=4 555 B8R1.8 CNCC1=CSC=N1 AT10976 [1,0,0,0,1,0|2,0,0]=4 556 B8R1.8 CNCC1=CSC=N1 AT14743 [1,0,0,0,1,0|2,0,0]=4 557 B8R1.8 CNCC1=NC=CN1 W10149 [1,0,0,0,1,0|2,0,0]=4 558 B8R1.8 CNCC1=NC=CS1 AT10974 [1,0,0,0,1,0|2,0,0]=4 559 B8R1.8 CNCC1=NNC=C1 F31265 [1,0,0,0,1,0|2,0,0]=4 560 B8R1.8 CNCC1=NOC=C1 AT10962 [1,0,0,0,1,0|2,0,0]=4 561 B8R1.8 COCC1=NC=CN1 P10070 [1,0,0,0,1,0|2,0,0]=4 562 B8R1.8 ClCCC1=CNC=N1 D82567 [1,0,0,0,1,0|2,0,0]=4 563 B8R1.8 ClCCC1=CNN=C1 AC2763 [1,0,0,0,1,0|2,0,0]=4 564 B8R1.8 NCCC1=CN=CN1 S10979 [1,0,0,0,1,0|2,0,0]=4 565 B8R1.8 NCCC1=CNN=C1 AC1363 [1,0,0,0,1,0|2,0,0]=4 566 B8R1.8 NCCC1=CNN=C1 D85886 [1,0,0,0,1,0|2,0,0]=4 567 B8R1.8 NCCC1=COC=N1 AT18667 [1,0,0,0,1,0|2,0,0]=4 568 B8R1.8 NCCC1=NC=CS1 F51904 [1,0,0,0,1,0|2,0,0]=4 569 B8R1.8 NCCC1=NNC=C1 AC2815 [1,0,0,0,1,0|2,0,0]=4 570 B8R1.8 NCCN1C=CC=N1 AT10968 [1,0,0,0,1,0|2,0,0]=4 571 B8R1.7 CC(C)C1=NN=CN1 AT12319 [0,0,0,0,2,0|2,0,0]=4 572 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,0,0,0,2,0|2,0,0]=4 573 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,0,0,0,2,0|2,0,0]=4 574 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,0,0,0,2,0|2,0,0]=4 575 B8R1.7 C[C@H](N)C1=CN=CN1 D71963 [0,0,0,0,2,0|2,0,0]=4 576 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [0,0,0,0,2,0|2,0,0]=4 577 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [0,0,0,0,2,0|2,0,0]=4 578 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [0,0,0,0,2,0|2,0,0]=4 579 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [0,0,0,0,2,0|2,0,0]=4 580 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [0,0,0,0,2,0|2,0,0]=4 581 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [0,0,0,0,2,0|2,0,0]=4 582 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [0,0,0,0,2,0|2,0,0]=4 583 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [0,0,0,0,2,0|2,0,0]=4 584 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [0,0,0,0,2,0|2,0,0]=4 585 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [0,0,0,0,2,0|2,0,0]=4 586 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [0,0,0,0,2,0|2,0,0]=4 587 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [0,0,0,0,2,0|2,0,0]=4 588 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [0,0,0,0,2,0|2,0,0]=4 589 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,0,0,0,2,0|2,0,0]=4 590 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,0,0,0,2,0|2,0,0]=4 591 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,0,0,0,2,0|2,0,0]=4 592 B8R1.7 C[C@H](O)C1=CN=CS1 AT14775 [0,0,0,0,2,0|2,0,0]=4 593 B8R1.7 C[C@H](O)C1=CN=CS1 AT14778 [0,0,0,0,2,0|2,0,0]=4 594 B8R1.7 C[C@H](O)C1=CN=CS1 AT14782 [0,0,0,0,2,0|2,0,0]=4 595 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [0,0,0,0,2,0|2,0,0]=4 596 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [0,0,0,0,2,0|2,0,0]=4 597 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [0,0,0,0,2,0|2,0,0]=4 598 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [0,0,0,0,2,0|2,0,0]=4 599 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [0,0,0,0,2,0|2,0,0]=4 600 B8R1.7 C[C@H](O)C1=NC=CS1 AT14682 [0,0,0,0,2,0|2,0,0]=4 601 B8R1.7 C[C@H](O)C1=NC=CS1 AT14685 [0,0,0,0,2,0|2,0,0]=4 602 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [0,0,0,0,2,0|2,0,0]=4 603 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [0,0,0,0,2,0|2,0,0]=4 604 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [0,0,0,0,2,0|2,0,0]=4 605 B12R1.252 CC(=O)CCCC1=CN=CC=C1 F53170 [0,0,0,0,0,2|1,0,1]=4 606 B12R1.252 CN(C)\C=N\CC1=CC=CC=C1 F53333 [0,0,0,0,0,2|2,0,0]=4 607 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [0,0,0,0,0,2|2,0,0]=4 608 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [0,0,0,0,0,2|2,0,0]=4 609 B12R1.252 C[C@H](O)CCCC1=CN=CC=C1 F53169 [0,0,0,0,0,2|1,0,0]=3 610 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AC4615 [0,0,0,0,0,2|2,0,0]=4 611 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AT23036 [0,0,0,0,0,2|2,0,0]=4 612 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 D71911 [0,0,0,0,0,2|2,0,0]=4