0 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 CC(C)C1=CC=C(CS)C=C1 AT13687 [0,0,0,0,0,0|0,1,1]=2 2 B11R1.3 CC(C)C1=NC=C(CN)C=N1 81408 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 N12206 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90819 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90820 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90831 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 N11219 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D76956 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 N10959 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20981 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20982 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 F16855 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.3 C[C@H](N)C1=CC=C(CCl)C=C1 96061 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 C13987 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.3 O=CC1=CC=C(C(F)F)C=C1 C91393 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.3 O=CC1=CN=C(B(O)O)C=C1 AT15861 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.3 O=CC1=CN=C(C(=O)O)C=C1 N13056 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.3 O=CC1=NC=C(B(O)O)C=C1 94215 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.3 OCC1=CC=C(C(F)F)C=C1 AT10625 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.3 C#CC1=CC=C(CN)C=C1 A50671 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.3 C=CC1=CC=C(C#N)C=C1 D76989 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.3 CCC1=CN=C(CCl)C=C1 94422 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.3 CNC1=CC=C(CN)C=C1 A10200 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.3 CNC1=CC=C(SC)C=C1 AT20959 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.3 CNC1=NC=C(C=O)C=N1 I11675 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.13 CC(C)C1=NC=C(N)C=N1 81917 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.13 CC(C)C1=NN=C(Br)C=C1 C14147 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 AT12689 [1,0,0,0,0,0|0,0,3]=4 35 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [1,0,0,0,0,0|1,1,0]=3 39 B10R1.13 CN(C)C1=NC=C(N)C=C1 D74940 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 N11221 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D81683 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y10703 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 90531 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N16973 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90529 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10690 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.13 NC1=CC=C(C(F)F)C=C1 84195 [1,0,0,0,0,0|3,0,0]=4 51 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13461 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13462 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13463 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 97264 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10941 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N12242 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.5 CC[C@H](N)C1=CC=C(SC)C=C1 N11382 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 N12207 [0,1,0,0,0,0|2,0,0]=3 59 B12R1.5 COC1=CC=C([C@@H](N)CF)C=C1 N14616 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13480 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13481 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13482 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13488 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13489 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13490 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.5 COC1=CC=C([C@@H](O)CN)C=C1 C78301 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.5 CSC1=CC=C([C@@H](N)CO)C=C1 H10359 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.6 CC(C)(C)C1=CN=C(C=O)C=N1 94362 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.6 CC(F)(F)C1=CC=C(C#N)C=C1 F53152 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.6 O=CC1=CC=C(S(=O)(=O)F)C=C1 AT12034 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.48 CC(C)C1=CC=C(C#N)C(Cl)=N1 94433 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.48 CC(C)C1=CC=C(C#N)C(S)=N1 94434 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.48 CC1=C(C=O)C=CC(B(O)O)=C1 N12929 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.48 CN(C)C1=CC(O)=C(N=O)C=C1 T72444 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.48 COC1=C(F)C=C([C@H](C)Br)C=C1 96595 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.48 COC1=C(F)C=C([C@H](C)Cl)C=C1 97968 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.48 COC1=C(F)C=C([C@H](C)O)C=C1 96594 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.48 C[C@H](N)C1=CC(F)=C(CO)C=C1 N14392 [0,1,0,0,0,0|1,0,2]=4 79 B12R1.113 CC(C)C1=CC=C(CCN)C=C1 C13364 [0,1,0,0,0,0|1,0,1]=3 80 B12R1.113 CCOC1=CC=C([C@H](C)N)C=C1 C77727 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 O10282 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT12994 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT12996 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.256 CC(C)C1=NC=C([N+](=O)[O-])C=C1 P11098 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.256 C[C@H](N)C1=CC=C(B(O)O)C=C1 I12564 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A50524 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.256 C[C@H](N)C1=CC=C(C(F)F)C=C1 N14665 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 I10900 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 N12577 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y11471 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 F53386 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.256 C[S@](=O)C1=CC=C(C(=O)O)C=C1 AT22899 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.452 CN(C)C1=C(Cl)C=C(C=O)C=C1 AT16362 [0,1,0,0,0,0|1,0,0]=2 94 B12R1.452 COC1=CC(Br)=C(C(C)C)C=C1 E71918 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.452 COC1=CC(F)=C(C(C)C)C=C1 P10295 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.452 C[C@H](N)C1=C(F)C=C(CO)C=C1 N14658 [0,1,0,0,0,0|1,0,2]=4 97 B12R1.452 O=CC1=CC(Br)=C(C(=O)O)C=C1 R10022 [0,1,0,0,0,0|2,0,1]=4 98 B12R2.9 BrCC1=CC=C(C2CC2)C=C1 51969 [0,0,0,1,0,0|1,0,1]=3 99 B12R2.9 CCC1=CC=C(C2CC2)C=C1 AC8465 [0,0,0,1,0,0|1,0,1]=3 100 B12R2.9 COC1=CC=C(C2CC2)C=C1 F53529 [0,0,0,1,0,0|2,0,0]=3 101 B12R2.9 ClCC1=CC=C(C2CC2)C=C1 P12610 [0,0,0,1,0,0|1,0,1]=3 102 B12R2.9 N#CC1=CN=C(C2CC2)C=C1 AC2752 [0,0,0,1,0,0|2,0,1]=4 103 B12R2.9 NCC1=CC=C(C2CC2)C=C1 33490 [0,0,0,1,0,0|1,0,1]=3 104 B10R1.31 C=CC1=NN(C(C)C)C=C1 C92840 [0,0,0,0,1,0|3,0,0]=4 105 B10R1.31 CC(C)C1=CC=C(C=O)O1 F53542 [0,0,0,0,1,0|1,0,0]=2 106 B10R1.31 CC(C)C1=CSC(C=O)=N1 F14711 [0,0,0,0,1,0|2,0,0]=3 107 B10R1.31 CC(C)C1=NNC(C=O)=C1 AT15964 [0,0,0,0,1,0|2,0,0]=3 108 B10R1.31 CN(C)C1=NC(C=O)=CS1 93230 [0,0,0,0,1,0|3,0,0]=4 109 B10R1.31 O=CC1=CC(C(F)F)=CS1 AT16852 [0,0,0,0,1,0|3,0,0]=4 110 B10R1.31 O=CC1=CC=C(C(F)F)O1 AT17239 [0,0,0,0,1,0|3,0,0]=4 111 B12R1.4 CC(C)SC1=CC=C(CCl)C=C1 AT20997 [0,0,0,0,0,1|1,0,1]=3 112 B12R1.4 CC(C)SC1=CC=C(CO)C=C1 AT20984 [0,0,0,0,0,1|0,0,2]=3 113 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [0,0,0,0,0,1|3,0,0]=4 114 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [0,0,0,0,0,1|2,0,0]=3 115 B9R1.1 CCN1C=CC(=S)C=C1 W16146 [2,0,0,0,0,0|1,1,0]=4 116 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [2,0,0,0,0,0|1,1,0]=4 120 B9R1.1 O=C1C=CC(=NCl)C=C1 T72753 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [2,0,0,0,0,0|2,0,0]=4 126 B11R1.83 C=CC1=CC=C(CCCl)C=C1 AC7198 [1,1,0,0,0,0|1,0,0]=3 127 B11R1.83 C=CC1=CC=C(CCO)C=C1 AC6179 [1,1,0,0,0,0|1,0,0]=3 128 B11R1.83 CCCC1=CC=C(CBr)C=C1 C13395 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.83 CCOC1=CC=C(CCl)C=C1 60965 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.83 CCSC1=CC=C(CN)C=C1 AT20991 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.83 NCCC1=CC=C(CO)C=C1 20162 [1,1,0,0,0,0|0,0,2]=4 132 B11R1.279 CCC1=C(O)C=C(OC)C=C1 75531 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.279 CCC1=CC(Br)=C(OC)C=C1 AT26698 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.279 COC1=C(N)C=C(C=O)C=C1 26715 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.279 COC1=NC(N)=C(C=O)C=C1 66190 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.279 CSC1=C(Cl)C=C(C=O)C=C1 AT16394 [1,1,0,0,0,0|1,0,0]=3 137 B11R1.279 O=CC1=CC(Br)=C(C=O)C=C1 AB10136 [1,1,0,0,0,0|1,0,1]=4 138 B11R1.19 CC(C)(C)C1=CN=C(O)C=C1 F13765 [1,1,0,0,0,0|1,0,1]=4 139 B11R1.19 CC(C)(C)C1=NNC(=O)C=C1 F51252 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.19 CC(C)(F)C1=NC=C(Br)C=C1 AC2038 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 98110 [1,1,0,0,0,0|1,0,0]=3 142 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 N10815 [1,1,0,0,0,0|1,0,0]=3 143 B11R1.19 CC(C)(N)C1=CN=C(Cl)C=C1 91211 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.19 CC(C)(O)C1=CN=C(Br)C=C1 AB10226 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.19 CC(C)(O)C1=CN=C(Cl)C=C1 AT10277 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.19 CC(C)(O)C1=CN=C(F)C=C1 88188 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 F13271 [1,1,0,0,0,0|0,0,1]=3 148 B11R1.19 CP(C)(=O)C1=CC=C(F)C=C1 AT21937 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 D77062 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.19 C[Si](C)(C)C1=CC=C(N)C=C1 D71910 [1,1,0,0,0,0|1,1,0]=4 151 B11R1.19 C[Si](C)(C)C1=CC=C(O)C=C1 D76703 [1,1,0,0,0,0|0,1,1]=4 152 B11R1.21 CC(C)C1=CC(Br)=C(I)C=C1 H11162 [1,1,0,0,0,0|1,0,0]=3 153 B11R1.21 CC1=C(C)C=C([C@H](C)O)C=C1 44393 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11249 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.21 CC1=C(O)C=C([C@H](C)N)C=C1 N14772 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.21 CC1=C(O)C=CC([C@H](C)N)=C1 N14776 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.21 CN(C)C1=CC(N)=C(N)C=C1 F53085 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 Y11087 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 Y11614 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.21 C[C@H](N)C1=CC(O)=C(F)C=C1 N14349 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.21 C[C@H](N)C1=CC(O)=C(F)C=C1 N14734 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 AT11379 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 AT11380 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13432 [1,1,0,0,0,0|1,0,1]=4 165 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13433 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13434 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13455 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13456 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13457 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.22 CC1=CC=C([C@@H](O)CN)C=C1 C78285 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 O10385 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 N12295 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11091 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11092 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.22 CO[C@@H](C)C1=CC=C(Br)C=C1 N11516 [1,1,0,0,0,0|1,0,0]=3 176 B11R1.22 C[C@@H](CN)C1=CC=C(Cl)C=C1 F20636 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 70995 [1,1,0,0,0,0|0,0,1]=3 178 B11R1.22 C[C@H](C#N)C1=CC=C(F)C=C1 AT19993 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13423 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13424 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13425 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13446 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13447 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13448 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N12560 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13414 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13415 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13416 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13438 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13439 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13400 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13401 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13402 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13406 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13407 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13408 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 58433 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.22 NC[C@H](O)C1=CC=C(F)C=C1 C78230 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.22 N[C@@H](CF)C1=CC=C(Br)C=C1 N14615 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.22 N[C@@H](CF)C1=CC=C(F)C=C1 N14614 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N11131 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16864 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16884 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 N10530 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 FD1217 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.22 O[C@@H](CCl)C1=CC=C(Br)C=C1 58431 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.166 CC(C)C1=C(Br)C=C(Cl)C=C1 F21471 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.166 CC(C)C1=C(F)C=C(Br)C=C1 F52298 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.166 CC1=CC(Br)=C(C(C)C)C=C1 AT26576 [1,1,0,0,0,0|0,0,1]=3 210 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 N12239 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81539 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81617 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.166 CC1=CC(F)=C([C@H](C)O)C=C1 AT15336 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.166 CC1=CC=C(C(C)C)C(N)=N1 AT11138 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.166 C[C@H](Br)C1=C(F)C=C(F)C=C1 C77556 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=C1 N12749 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=C1 N13113 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 F16902 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=C1 AT11374 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=C1 AT11378 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.45 CC(C)(C)C1=CC=C(C=O)S1 AT16725 [0,1,0,0,1,0|1,0,0]=3 222 B11R1.45 CC(C)(C)C1=CN=C(C=O)S1 AT15004 [0,1,0,0,1,0|2,0,0]=4 223 B11R1.45 CC(C)(C)C1=COC(C=O)=N1 AT18584 [0,1,0,0,1,0|2,0,0]=4 224 B11R1.45 CC(C)(C)C1=NC(C=O)=CS1 AT14892 [0,1,0,0,1,0|2,0,0]=4 225 B11R1.45 CC(C)(C)C1=NC=C(C=O)O1 AT18515 [0,1,0,0,1,0|2,0,0]=4 226 B11R1.45 CC(C)(C)C1=NC=C(C=O)S1 AT14894 [0,1,0,0,1,0|2,0,0]=4 227 B11R1.50 CC1=C(C(C)C)C=C(C=O)O1 F19819 [0,1,0,0,1,0|1,0,0]=3 228 B11R1.175 CC(C)C1=CC=C(C(=O)O)O1 81689 [0,1,0,0,1,0|1,0,0]=3 229 B11R1.175 CC(C)C1=CC=C(C(=O)O)S1 AT16423 [0,1,0,0,1,0|1,0,0]=3 230 B11R1.175 CC(C)N1C=NC(C(=O)O)=C1 AC8859 [0,1,0,0,1,0|2,0,0]=4 231 B13R1.4 COC1=CC=C(CC(C)(C)N)C=C1 AC6367 [0,1,0,0,0,1|2,0,0]=4 232 B13R1.4 [2H]C([2H])([2H])OC1=CC=C(C=O)C=C1 F53541 [0,1,0,0,0,1|2,0,0]=4 233 B13R1.35 CC(C)OC1=CC(O)=C(C=O)C=C1 N10524 [0,1,0,0,0,1|0,0,0]=2 234 B13R1.35 CC1=C(C#N)C=CC(OC(C)C)=C1 76142 [0,1,0,0,0,1|1,0,1]=4 235 B13R1.35 O=CC1=C(Br)C=C(OC(F)F)C=C1 D96242 [0,1,0,0,0,1|2,0,0]=4 236 B13R1.36 C=CC1=CC=C(C(N)C(C)O)C=C1 N16181 [0,1,0,0,0,1|2,0,0]=4 237 B13R1.36 C=CC1=CC=C([C@@H](N)C(C)O)C=C1 N16180 [0,1,0,0,0,1|2,0,0]=4 238 B13R1.36 C=CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N16177 [0,1,0,0,0,1|2,0,0]=4 239 B13R1.36 C=CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N16179 [0,1,0,0,0,1|2,0,0]=4 240 B13R1.36 C=CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N16178 [0,1,0,0,0,1|2,0,0]=4 241 B13R1.36 COC1=CC=C([C@@H](O)C(C)C)C=C1 F50466 [0,1,0,0,0,1|2,0,0]=4 242 B13R1.142 CC(C)OC1=CC=C(CCN)C=C1 AC6363 [0,1,0,0,0,1|1,0,1]=4 243 B13R1.585 CC(=O)C1=CC=C(OC(C)C)C=C1 C78209 [0,1,0,0,0,1|0,0,0]=2 244 B13R1.585 CC(=O)C1=CN=C(OC(C)C)C=C1 E72781 [0,1,0,0,0,1|1,0,0]=3 245 B13R1.585 CC(=O)C1=NC=C(OC(C)C)C=C1 C92573 [0,1,0,0,0,1|1,0,0]=3 246 B13R1.585 CC(C)NC1=CC=C(B(O)O)C=C1 H11867 [0,1,0,0,0,1|1,0,1]=4 247 B13R1.585 CC(C)NC1=NN=C(C(=O)O)C=C1 AC3110 [0,1,0,0,0,1|2,0,0]=4 248 B13R1.585 CC(C)OC1=CC=C([C@H](C)N)C=C1 N12556 [0,1,0,0,0,1|1,0,1]=4 249 B13R1.585 CC(C)SC1=CC=C(C(=O)O)C=C1 AT24961 [0,1,0,0,0,1|0,0,0]=2 250 B13R1.653 CC(C)OC1=C(Br)C=C(C=O)C=C1 57742 [0,1,0,0,0,1|0,0,0]=2 251 B13R1.653 CC(C)OC1=C(Cl)C=C(CO)C=C1 N12654 [0,1,0,0,0,1|0,0,2]=4 252 B13R1.39 CC[C@@H](CN)C1=CC=C(OC)C=C1 C78273 [0,2,0,0,0,0|2,0,0]=4 253 B13R1.39 CN[C@@H](CO)C1=CC=C(OC)C=C1 N12830 [0,2,0,0,0,0|2,0,0]=4 254 B13R1.139 COC(=O)C1=CC=C(NC=O)C=C1 AB10019 [0,2,0,0,0,0|1,0,1]=4 255 B13R1.537 C=C[C@H](N)C1=CC=C(C(C)C)C=C1 N15277 [0,2,0,0,0,0|1,0,0]=3 256 B13R1.537 C=C[C@H](N)C1=CC=C(C(C)C)C=C1 N15278 [0,2,0,0,0,0|1,0,0]=3 257 B13R1.537 C=C[C@H](N)C1=CC=C(C(C)C)C=C1 N15279 [0,2,0,0,0,0|1,0,0]=3 258 B13R1.537 CC(=O)C1=CC=C([C@@H](O)CN)C=C1 F30572 [0,2,0,0,0,0|1,0,0]=3 259 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13464 [0,2,0,0,0,0|1,0,1]=4 260 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13465 [0,2,0,0,0,0|1,0,1]=4 261 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13466 [0,2,0,0,0,0|1,0,1]=4 262 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13467 [0,2,0,0,0,0|1,0,1]=4 263 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13468 [0,2,0,0,0,0|1,0,1]=4 264 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13469 [0,2,0,0,0,0|1,0,1]=4 265 B13R1.537 CC(C)C1=CC=C([C@@H](N)CO)C=C1 N15376 [0,2,0,0,0,0|0,0,2]=4 266 B13R1.537 CCC(=O)C1=CC=C(N(C)C)C=C1 97342 [0,2,0,0,0,0|1,0,0]=3 267 B13R1.537 CCN(C)C1=CC=C([N+](=O)[O-])C=C1 F14259 [0,2,0,0,0,0|2,0,0]=4 268 B13R1.537 CC[C@H](N)C1=CC=C(C(C)C)C=C1 N12484 [0,2,0,0,0,0|1,0,1]=4 269 B13R1.537 CN(C)C1=CC=C(C(=O)C=O)C=C1 23536 [0,2,0,0,0,0|1,0,0]=3 270 B13R1.537 CN(C)C1=CC=C(C(=O)CN)C=C1 C78227 [0,2,0,0,0,0|1,0,0]=3 271 B13R1.537 COC(=O)C1=CC=C(C(F)F)C=C1 A12531 [0,2,0,0,0,0|2,0,0]=4 272 B13R1.537 C[C@H](NN)C1=CC=C(C(=O)O)C=C1 D72567 [0,2,0,0,0,0|1,0,0]=3 273 B13R1.537 NC[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 C77948 [0,2,0,0,0,0|2,0,0]=4 274 B13R1.537 N[C@@H](CO)C1=CN=C(C(=O)O)C=C1 N14645 [0,2,0,0,0,0|2,0,0]=4 275 B13R1.537 N[C@@H](CO)C1=NC=C(C(=O)O)C=C1 N14655 [0,2,0,0,0,0|2,0,0]=4 276 B13R1.537 O=[N+]([O-])C1=CC=C([C@@H](O)CBr)C=C1 C12237 [0,2,0,0,0,0|2,0,0]=4 277 B13R1.537 O=[N+]([O-])C1=CC=C([C@@H](O)CO)C=C1 AT22716 [0,2,0,0,0,0|2,0,0]=4 278 B13R1.38 CS(=O)(=O)C1=CC(Cl)=C(C=O)C=C1 P10287 [0,2,0,0,0,0|2,0,0]=4 279 B13R1.96 CC(C)(C)C1=C(O)C=C(C#N)C=C1 58362 [0,2,0,0,0,0|1,0,1]=4 280 B13R1.96 CS(=O)(=O)C1=C(Cl)C=C(C=O)C=C1 AT16397 [0,2,0,0,0,0|2,0,0]=4 281 B13R1.140 CC(C)(C)C1=CC=C(CCN)C=C1 A10279 [0,2,0,0,0,0|1,0,1]=4 282 B13R1.338 CC(=O)C1=CN=C(C(C)(C)C)C=C1 D77665 [0,2,0,0,0,0|1,0,0]=3 283 B13R1.338 CN(C)C1=CC=C(S(=O)(=O)Cl)C=C1 H12017 [0,2,0,0,0,0|2,0,0]=4 284 B13R1.338 C[C@H](N)C1=CC=C(C(C)(C)C)C=C1 D81662 [0,2,0,0,0,0|1,0,1]=4 285 B13R1.338 C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 71662 [0,2,0,0,0,0|2,0,0]=4 286 B13R1.338 C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 F53699 [0,2,0,0,0,0|2,0,0]=4 287 B13R1.120 CC(=O)C1=C(Cl)C=C(C(=O)O)C=C1 D96197 [0,2,0,0,0,0|1,0,1]=4 288 B13R1.120 CC(=O)C1=CC(Br)=C(C(=O)O)C=C1 F20191 [0,2,0,0,0,0|1,0,1]=4 289 B13R1.120 CC(C)C1=CC(O)=C(C(=O)O)C=C1 D86023 [0,2,0,0,0,0|0,0,0]=2 290 B13R1.120 C[C@H](N)C1=C(F)C=C(C(=O)O)C=C1 N14660 [0,2,0,0,0,0|1,0,0]=3 291 B13R1.120 C[C@H](N)C1=C(F)C=C(C(=O)O)C=C1 N14661 [0,2,0,0,0,0|1,0,0]=3 292 B13R1.120 C[C@H](O)C1=CC(F)=C([N+](=O)[O-])C=C1 AC5316 [0,2,0,0,0,0|2,0,0]=4 293 B13R1.120 O=C(O)C1=C(F)C=C(C(F)F)C=C1 AT12883 [0,2,0,0,0,0|2,0,0]=4 294 B13R1.120 O=C(O)C1=CC(F)=C(C(Br)Br)C=C1 N16838 [0,2,0,0,0,0|2,0,0]=4 295 B13R1.120 O=C(O)C1=CC(I)=C(C(F)F)C=C1 F51050 [0,2,0,0,0,0|2,0,0]=4 296 B13R1.652 COC1=C(I)C=C(C(C)C)C(F)=C1 66348 [0,2,0,0,0,0|2,0,0]=4 297 B13R1.3380 CC1=CC(N(C)C)=NC(C)=C1C=O C90607 [0,2,0,0,0,0|2,0,0]=4 298 B13R1.74 CN(C)C1=CC=C(\C=C\C#N)C=C1 T70775 [0,2,0,0,0,0|2,0,0]=4 299 B11R1.43 CC(C)OC1=CC=C(C=O)O1 AT17096 [0,0,1,1,0,0|2,0,0]=4 300 B11R1.159 CC(C)C1=CC=CC(Br)=C1O C91212 [0,0,1,1,0,0|2,0,0]=4 301 B11R1.159 CC(C)C1=CC=CC(N)=C1N D85847 [0,0,1,1,0,0|2,0,0]=4 302 B11R2.34 CC1=CC=C(C2CC2)C=C1 AC9737 [1,0,0,1,0,0|0,0,1]=3 303 B11R2.34 ClC1=CC=C(C2CC2)C=C1 AC9567 [1,0,0,1,0,0|1,0,0]=3 304 B11R2.21 O=CC1=CC(C2CC2)=CS1 57087 [0,0,0,1,1,0|1,0,0]=3 305 B11R2.21 O=CC1=CSC(C2CC2)=C1 57091 [0,0,0,1,1,0|1,0,0]=3 306 B11R2.21 O=CC1=NN(C2CC2)C=C1 AT14221 [0,0,0,1,1,0|2,0,0]=4 307 B13R2.2121 CC1=CC2=C(C=CC(C=O)=C2)N1 96764 [0,0,0,1,0,1|0,0,2]=4 308 B13R2.185 NCC1=CC=C(C2COC2)C=C1 85369 [0,1,0,1,0,0|1,0,1]=4 309 B13R2.185 O=CC1=CC=C(C2CCC2)C=C1 33448 [0,1,0,1,0,0|0,0,0]=2 310 B13R2.186 COC1=CC=C(C2(N)CC2)C=C1 N12621 [0,1,0,1,0,0|2,0,0]=4 311 B13R2.186 N#CC1=CC=C(C2(N)CC2)C=C1 Y10030 [0,1,0,1,0,0|1,0,1]=4 312 B13R2.2130 CN1C=NC2=C1C=CC(C=O)=C2 35943 [0,1,0,1,0,0|1,0,1]=4 313 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OC=C2 92542 [0,1,0,1,0,0|2,0,0]=4 314 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)SC=N2 92544 [0,1,0,1,0,0|2,0,0]=4 315 B13R2.430 C[C@H](O)C1=CC2=C(C=C1)SC=N2 92499 [0,1,0,1,0,0|2,0,0]=4 316 B13R2.2396 COC1=C(C)C=C(C2CC2)C=C1 AC9572 [0,1,0,1,0,0|2,0,0]=4 317 B13R2.60 CCOC1=CC=C(C2CC2)C=C1 AC8463 [0,1,0,1,0,0|1,0,1]=4 318 B13R2.428 CN(C)C1=CC=C(C2CC2)C=C1 AC9114 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.428 NC(=O)C1=CC=C(C2CC2)C=C1 AC9861 [0,1,0,1,0,0|0,0,0]=2 320 B13R2.428 O=C(O)C1=NC=C(C2CC2)C=C1 94057 [0,1,0,1,0,0|1,0,0]=3 321 B13R2.428 O=[N+]([O-])C1=CC=C(C2CC2)C=C1 D77964 [0,1,0,1,0,0|1,0,0]=3 322 B13R2.2170 COC1=CC(N)=C(C2CC2)C=C1 AC9666 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.21 CCC1=NC(C=O)=CS1 AT15240 [1,0,0,0,1,0|2,0,0]=4 324 B9R1.21 CCN1C=CC(C=O)=C1 AT16331 [1,0,0,0,1,0|1,0,0]=3 325 B9R1.21 CCN1C=CC(C=O)=N1 F14621 [1,0,0,0,1,0|2,0,0]=4 326 B9R1.21 COC1=CC=C(C=O)O1 AT17092 [1,0,0,0,1,0|2,0,0]=4 327 B9R1.21 COC1=CC=C(C=O)S1 F53534 [1,0,0,0,1,0|2,0,0]=4 328 B9R1.21 CSC1=CC=C(C=O)O1 AT17272 [1,0,0,0,1,0|2,0,0]=4 329 B9R1.21 CSC1=CC=C(C=O)S1 T72147 [1,0,0,0,1,0|2,0,0]=4 330 B9R1.21 O=CC1=CC(CCl)=CS1 AT17066 [1,0,0,0,1,0|2,0,0]=4 331 B9R1.21 O=CC1=CC=C(CCl)O1 F11818 [1,0,0,0,1,0|2,0,0]=4 332 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [1,0,0,0,0,1|1,0,1]=4 333 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y11268 [1,0,0,0,0,1|2,0,0]=4 334 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N10873 [1,0,0,0,0,1|2,0,0]=4 335 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [1,0,0,0,0,1|1,0,1]=4 336 B11R1.266 C=CC1=CC=CC([C@H](C)N)=C1 N14672 [0,0,0,0,1,1|2,0,0]=4 337 B11R1.266 CC(=O)C1=CC(C=O)=CC=C1 CL9709 [0,0,0,0,1,1|1,0,1]=4 338 B11R1.266 CC(C)C1=NC=CC(CN)=C1 AT26652 [0,0,0,0,1,1|1,0,1]=4 339 B11R1.266 CN(C)C1=NC=CC(C=O)=N1 AT18362 [0,0,0,0,1,1|2,0,0]=4 340 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 98172 [0,0,0,0,0,2|1,0,1]=4