0 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 O10282 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.256 CC(=O)C1=CN=C(C(F)F)N=C1 56591 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.256 CC(=O)C1=NC=C([N+](=O)[O-])C=C1 F52307 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT12994 [0,0,0,0,0,0|1,0,1]=2 4 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT12996 [0,0,0,0,0,0|1,0,1]=2 5 B12R1.256 CC(C)C1=CN=C(C(C)C)C=N1 79604 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.256 CC(C)C1=NC=C([N+](=O)[O-])C=C1 P11098 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.256 C[C@H](N)C1=CC=C(B(O)O)C=C1 I12564 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A50524 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.256 C[C@H](N)C1=CC=C(C(F)F)C=C1 N14665 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 I10900 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 N12577 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y11471 [0,0,0,0,0,0|2,0,1]=3 13 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 F53386 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.256 C[S@](=O)C1=CC=C(C(=O)O)C=C1 AT22899 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.3 CC(C)C1=CC=C(CS)C=C1 AT13687 [1,0,0,0,0,0|0,1,1]=3 17 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 F13708 [1,0,0,0,0,0|1,1,0]=3 18 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 N12206 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.3 CNC1=CN=C(C(=O)O)C=C1 AT13629 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.3 COC1=CN=C(C(N)=O)C=C1 D74451 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90819 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90820 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90831 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 N11219 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D76956 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 N10959 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20981 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20982 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 F16855 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.3 C[C@H](N)C1=CC=C(CCl)C=C1 96061 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 C13987 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.3 N#[N+]C1=CC=C(C(=O)O)C=C1 A11547 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 10001 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.3 O=CC1=CC=C(C(F)F)C=C1 C91393 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [1,0,0,0,0,0|2,0,0]=3 38 B13R1.120 CC(=O)C1=C(Br)C=C([N+](=O)[O-])C=C1 87784 [0,1,0,0,0,0|3,0,0]=4 39 B13R1.120 CC(=O)C1=C(Cl)C=C(C(=O)O)C=C1 D96197 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.120 CC(=O)C1=C(F)C=C([N+](=O)[O-])C=C1 75542 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.120 CC(=O)C1=CC(Br)=C(C(=O)O)C=C1 F20191 [0,1,0,0,0,0|2,0,1]=4 42 B13R1.120 CC(C)C1=CC(O)=C(C(=O)O)C=C1 D86023 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.120 C[C@H](N)C1=C(F)C=C(C(=O)O)C=C1 N14660 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.120 C[C@H](N)C1=C(F)C=C(C(=O)O)C=C1 N14661 [0,1,0,0,0,0|2,0,0]=3 45 B13R1.120 C[C@H](O)C1=CC(F)=C([N+](=O)[O-])C=C1 AC5316 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.120 O=C(O)C1=C(F)C=C(C(F)F)C=C1 AT12883 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.120 O=C(O)C1=CC(F)=C(C(Br)Br)C=C1 N16838 [0,1,0,0,0,0|3,0,0]=4 48 B13R1.120 O=C(O)C1=CC(I)=C(C(F)F)C=C1 F51050 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.338 CC(=O)C1=CC=C([B-](F)(F)F)C=C1 V10177 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.338 CC(=O)C1=CN=C(C(C)(C)C)C=C1 D77665 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.338 CC(=O)C1=CN=C(S(C)(=O)=O)C=C1 F31316 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.338 CN(C)C1=CC=C(S(=O)(=O)Cl)C=C1 H12017 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.338 C[C@H](N)C1=CC=C(C(C)(C)C)C=C1 D81662 [0,1,0,0,0,0|1,0,1]=3 54 B13R1.338 C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 71662 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.338 C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 F53699 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.338 C[C@H](O)C1=CN=C(S(C)(=O)=O)C=C1 F31317 [0,1,0,0,0,0|3,0,0]=4 57 B13R1.537 C=C[C@H](N)C1=CC=C(C(C)C)C=C1 N15277 [0,1,0,0,0,0|1,0,2]=4 58 B13R1.537 C=C[C@H](N)C1=CC=C(C(C)C)C=C1 N15278 [0,1,0,0,0,0|1,0,2]=4 59 B13R1.537 C=C[C@H](N)C1=CC=C(C(C)C)C=C1 N15279 [0,1,0,0,0,0|1,0,2]=4 60 B13R1.537 CC(=O)C1=CC=C([C@@H](O)CN)C=C1 F30572 [0,1,0,0,0,0|1,0,0]=2 61 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13464 [0,1,0,0,0,0|1,0,1]=3 62 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13465 [0,1,0,0,0,0|1,0,1]=3 63 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13466 [0,1,0,0,0,0|1,0,1]=3 64 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13467 [0,1,0,0,0,0|1,0,1]=3 65 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13468 [0,1,0,0,0,0|1,0,1]=3 66 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13469 [0,1,0,0,0,0|1,0,1]=3 67 B13R1.537 CC(C)C1=CC=C([C@@H](N)CO)C=C1 N15376 [0,1,0,0,0,0|1,0,1]=3 68 B13R1.537 CC(N)C1=CC=C(C(O)CO)C=C1 F30781 [0,1,0,0,0,0|1,0,2]=4 69 B13R1.537 CCC(=O)C1=CC=C(N(C)C)C=C1 97342 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.537 CCC(=O)C1=CC=C([N+](=O)[O-])C=C1 C90296 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.537 CCN(C)C1=CC=C([N+](=O)[O-])C=C1 F14259 [0,1,0,0,0,0|3,0,0]=4 72 B13R1.537 CC[C@H](N)C1=CC=C(C(C)C)C=C1 N12484 [0,1,0,0,0,0|1,0,1]=3 73 B13R1.537 CN(C)C1=CC=C(C(=O)C=O)C=C1 23536 [0,1,0,0,0,0|1,0,1]=3 74 B13R1.537 CN(C)C1=CC=C(C(=O)CN)C=C1 C78227 [0,1,0,0,0,0|1,0,0]=2 75 B13R1.537 COC(=O)C1=CC=C(C(F)F)C=C1 A12531 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.537 C[C@H](NN)C1=CC=C(C(=O)O)C=C1 D72567 [0,1,0,0,0,0|2,0,0]=3 77 B13R1.537 NC[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 C77948 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.537 N[C@@H](CO)C1=CN=C(C(=O)O)C=C1 N14645 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.537 N[C@@H](CO)C1=NC=C(C(=O)O)C=C1 N14655 [0,1,0,0,0,0|3,0,0]=4 80 B13R1.537 O=C(CBr)C1=CC=C(B(O)O)C=C1 C15847 [0,1,0,0,0,0|3,0,0]=4 81 B13R1.537 O=[N+]([O-])C1=CC=C([C@@H](O)CBr)C=C1 C12237 [0,1,0,0,0,0|3,0,0]=4 82 B13R1.537 O=[N+]([O-])C1=CC=C([C@@H](O)CO)C=C1 AT22716 [0,1,0,0,0,0|3,0,0]=4 83 B13R2.428 CN(C)C1=CC=C(C2CC2)C=C1 AC9114 [0,0,0,1,0,0|2,0,0]=3 84 B13R2.428 NC(=O)C1=CC=C(C2CC2)C=C1 AC9861 [0,0,0,1,0,0|1,0,0]=2 85 B13R2.428 O=C(O)C1=NC=C(C2CC2)C=C1 94057 [0,0,0,1,0,0|2,0,0]=3 86 B13R2.428 O=[N+]([O-])C1=CC=C(C2CC2)C=C1 D77964 [0,0,0,1,0,0|2,0,0]=3 87 B11R1.175 CC(C)C1=CC=C(C(=O)O)O1 81689 [0,0,0,0,1,0|2,0,0]=3 88 B11R1.175 CC(C)C1=CC=C(C(=O)O)S1 AT16423 [0,0,0,0,1,0|2,0,0]=3 89 B11R1.175 CC(C)N1C=NC(C(=O)O)=C1 AC8859 [0,0,0,0,1,0|3,0,0]=4 90 B13R1.585 CC(=O)C1=CC=C(OC(C)C)C=C1 C78209 [0,0,0,0,0,1|0,0,0]=1 91 B13R1.585 CC(=O)C1=CN=C(OC(C)C)C=C1 E72781 [0,0,0,0,0,1|1,0,0]=2 92 B13R1.585 CC(=O)C1=CN=C(OC(F)F)C=C1 W18249 [0,0,0,0,0,1|3,0,0]=4 93 B13R1.585 CC(=O)C1=NC=C(OC(C)C)C=C1 C92573 [0,0,0,0,0,1|1,0,0]=2 94 B13R1.585 CC(C)NC1=CC=C(B(O)O)C=C1 H11867 [0,0,0,0,0,1|2,0,1]=4 95 B13R1.585 CC(C)NC1=NN=C(C(=O)O)C=C1 AC3110 [0,0,0,0,0,1|3,0,0]=4 96 B13R1.585 CC(C)OC1=CC=C([C@H](C)N)C=C1 N12556 [0,0,0,0,0,1|1,0,1]=3 97 B13R1.585 CC(C)SC1=CC=C(C(=O)O)C=C1 AT24961 [0,0,0,0,0,1|1,0,0]=2 98 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [2,0,0,0,0,0|1,0,0]=3 99 B10R1.3 CNC1=CC=C(CN)C=C1 A10200 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.3 CNC1=CC=C(SC)C=C1 AT20959 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [2,0,0,0,0,0|1,1,0]=4 111 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [2,0,0,0,0,0|1,0,1]=4 112 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [2,0,0,0,0,0|1,0,1]=4 113 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 23929 [1,1,0,0,0,0|0,0,1]=3 114 B12R1.5 CCC1=CC=C(C(=O)CO)C=C1 AC2757 [1,1,0,0,0,0|0,0,0]=2 115 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13461 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13462 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13463 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.5 CCC1=NC=C(C(=O)OC)C=C1 92554 [1,1,0,0,0,0|1,0,0]=3 119 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 97264 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10941 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N12242 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.5 CC[C@H](N)C1=CC=C(SC)C=C1 N11382 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.5 CNC(=O)C1=CC=C(CBr)C=C1 D97640 [1,1,0,0,0,0|1,0,0]=3 124 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 97528 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 N12207 [1,1,0,0,0,0|1,0,0]=3 126 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 57141 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 P16732 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 76157 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 AC6103 [1,1,0,0,0,0|1,0,0]=3 130 B12R1.5 COC1=CC=C([C@@H](N)CF)C=C1 N14616 [1,1,0,0,0,0|2,0,0]=4 131 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13480 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13481 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13482 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13488 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13489 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13490 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.5 COC1=CC=C([C@@H](O)CN)C=C1 C78301 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.5 COC1=NC=C(C(=O)CCl)C=C1 D77905 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.5 CSC1=CC=C(C(=O)CBr)C=C1 H10559 [1,1,0,0,0,0|1,0,0]=3 140 B12R1.5 CSC1=CC=C([C@@H](N)CO)C=C1 H10359 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.6 CC(C)(C)C1=CN=C(C=O)C=N1 94362 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.6 COC1=CC=C([S@@](C)(=N)=O)C=C1 W18264 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.48 CC(=O)C1=CC(Br)=C(C#N)C=C1 35226 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.48 CC(=O)C1=CC(Br)=C(CBr)C=C1 W17125 [1,1,0,0,0,0|1,0,0]=3 145 B12R1.48 CC(=O)C1=CC(Cl)=C(C#N)C=C1 95965 [1,1,0,0,0,0|1,0,1]=4 146 B12R1.48 CCC1=C(Br)C=C(C(C)=O)C=C1 F17056 [1,1,0,0,0,0|0,0,0]=2 147 B12R1.48 CCC1=C(I)C=C(C(=O)O)C=C1 I11380 [1,1,0,0,0,0|1,0,0]=3 148 B12R1.48 CN(C)C1=CC(O)=C(N=O)C=C1 T72444 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.48 CNC1=C(Br)C=C(C(=O)O)C=C1 O10956 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.48 COC1=C(F)C=C([C@H](C)Br)C=C1 96595 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.48 COC1=C(F)C=C([C@H](C)Cl)C=C1 97968 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.48 COC1=C(F)C=C([C@H](C)O)C=C1 96594 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.113 C=CCC1=CC=C(C(N)=O)C=C1 AC2805 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.113 CC(C)C1=CC=C(CCN)C=C1 C13364 [1,1,0,0,0,0|0,0,1]=3 155 B12R1.113 CCOC1=CC=C([C@H](C)N)C=C1 C77727 [1,1,0,0,0,0|1,0,1]=4 156 B12R1.113 N=C(N)C1=CC=C(CCN)C=C1 F51015 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.113 N=C(N)C1=CC=C(CCN)C=C1 F52005 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.113 NOCC1=CC=C(C(=O)O)C=C1 AT14532 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.452 CC(=O)C1=C(Cl)C=C(C#N)C=C1 52167 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.452 CCC1=CC(C)=C([N+](=O)[O-])C=C1 W19433 [1,1,0,0,0,0|2,0,0]=4 161 B12R1.452 CCC1=CC(O)=C([N+](=O)[O-])C=C1 F13833 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.452 CN(C)C1=C(Cl)C=C(C=O)C=C1 AT16362 [1,1,0,0,0,0|1,0,0]=3 163 B12R1.452 COC1=CC(Br)=C(C(C)C)C=C1 E71918 [1,1,0,0,0,0|1,0,0]=3 164 B12R1.452 COC1=CC(F)=C(C(C)C)C=C1 P10295 [1,1,0,0,0,0|1,0,0]=3 165 B12R1.452 COC1=CC(N)=C(C(N)=O)C=C1 F15890 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.452 O=C(O)C1=C(F)C=C(CBr)C=C1 D95479 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.359 COC(=O)C1=COC(C(C)C)=N1 51107 [0,1,0,0,1,0|2,0,0]=4 168 B12R1.359 COC(=O)C1=NOC(C(C)C)=C1 C91000 [0,1,0,0,1,0|2,0,0]=4 169 B14R1.124 CC(=O)C1=CC(F)=C(OC(F)F)C=C1 94903 [0,1,0,0,0,1|2,0,0]=4 170 B14R1.124 CC(C)CN1C=CC(C(=O)O)=CC1=O 97240 [0,1,0,0,0,1|2,0,0]=4 171 B14R1.124 CC(C)OC1=C(Cl)C=C(C(=O)O)C=N1 97241 [0,1,0,0,0,1|2,0,0]=4 172 B14R1.124 CC(C)OC1=C(F)C=C(C(=O)O)C=C1 AC5747 [0,1,0,0,0,1|1,0,0]=3 173 B14R1.124 CC(C)OC1=C(O)C=C(C(=O)O)C=C1 D86737 [0,1,0,0,0,1|1,0,0]=3 174 B14R1.414 CC(C)(C)OC1=CN=C(C(=O)O)C=C1 54929 [0,1,0,0,0,1|2,0,0]=4 175 B14R1.414 CC(C)(C)SC1=CC=C(C(=O)O)C=C1 AT24964 [0,1,0,0,0,1|1,0,0]=3 176 B14R1.717 CC(=O)OC1=CC=C(C(=O)CBr)C=C1 AB22156 [0,1,0,0,0,1|1,0,1]=4 177 B14R1.717 CC(C)CC1=CC=C(C(=O)CBr)C=C1 C90293 [0,1,0,0,0,1|0,0,0]=2 178 B14R1.717 CC(C)CC1=CC=C(C(=O)CO)C=C1 AC6044 [0,1,0,0,0,1|0,0,0]=2 179 B14R1.717 CCC(=O)C1=CC=C(NC(C)=O)C=C1 L10177 [0,1,0,0,0,1|1,0,1]=4 180 B14R1.717 CCC(=O)C1=CC=C(OC(C)C)C=C1 N12159 [0,1,0,0,0,1|0,0,0]=2 181 B14R1.717 COC(=O)C1=CC=C(NC(C)=O)C=C1 L10152 [0,1,0,0,0,1|1,0,1]=4 182 B14R1.717 COC(=O)C1=NN=C(NC(C)C)C=C1 AC3113 [0,1,0,0,0,1|2,0,0]=4 183 B14R1.806 CC(=O)CC1=CC=C(C(C)(C)C)C=C1 N14188 [0,1,0,0,0,1|0,0,0]=2 184 B14R1.806 CC(C)(C)C1=CC=C(OC(=O)Cl)C=C1 O11104 [0,1,0,0,0,1|1,0,0]=3 185 B14R1.5801 CC(=O)C1=C(F)C=C(OC(F)F)C=C1 94904 [0,1,0,0,0,1|2,0,0]=4 186 B14R1.5801 CC(=O)C1=C(O)C=C(OC(F)F)C=C1 57055 [0,1,0,0,0,1|2,0,0]=4 187 B14R1.5801 CC(C)OC1=CC(F)=C(C(=O)O)C=C1 35138 [0,1,0,0,0,1|1,0,0]=3 188 B14R1.6402 CC(=O)[C@H](N)C1=CC=C(C(C)C)C=C1 N15714 [0,1,0,0,0,1|0,0,0]=2 189 B14R1.6402 CC(=O)[C@H](N)C1=CC=C(C(F)F)C=C1 N15728 [0,1,0,0,0,1|2,0,0]=4 190 B14R1.6402 CC(C)C(=O)C1=CC=C(N(C)C)C=C1 N14293 [0,1,0,0,0,1|2,0,0]=4 191 B14R1.6402 CC(C)C1=CC=C(C(N)C(C)O)C=C1 N15715 [0,1,0,0,0,1|0,0,2]=4 192 B14R1.6402 CC(C)C1=CC=C([C@@H](N)C(=O)O)C=C1 N15397 [0,1,0,0,0,1|1,0,0]=3 193 B14R1.6402 CC(C)C1=CC=C([C@@H](N)C(=O)O)C=C1 N15408 [0,1,0,0,0,1|1,0,0]=3 194 B14R1.6402 CC(C)C1=CC=C([C@@H](N)C(C)O)C=C1 N15716 [0,1,0,0,0,1|0,0,2]=4 195 B14R1.6402 CC(C)C1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15717 [0,1,0,0,0,1|0,0,2]=4 196 B14R1.6402 CC(C)C1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15719 [0,1,0,0,0,1|0,0,2]=4 197 B14R1.6402 CC(C)C1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15720 [0,1,0,0,0,1|0,0,2]=4 198 B14R1.43 CC(C)C1=CC(C=O)=C([N+](=O)[O-])C=C1 C11318 [0,2,0,0,0,0|2,0,0]=4 199 B14R1.747 COC(=O)C1=CC(=O)N(C(C)C)C=C1 P14877 [0,2,0,0,0,0|1,0,0]=3 200 B14R1.747 COC(=O)C1=CC(Br)=C(N(C)C)C=C1 I11668 [0,2,0,0,0,0|1,0,0]=3 201 B14R1.747 COC(=O)C1=CC(F)=C(C(Br)Br)C=C1 N17075 [0,2,0,0,0,0|2,0,0]=4 202 B14R1.747 COC(=O)C1=CC(I)=C(C(F)F)C=C1 F51605 [0,2,0,0,0,0|2,0,0]=4 203 B14R1.747 COC(=O)C1=CC(N)=C(C(F)F)C=C1 F51591 [0,2,0,0,0,0|2,0,0]=4 204 B14R1.1128 COC(=O)C1=C(F)C=C(C(F)F)C=C1 AT19257 [0,2,0,0,0,0|2,0,0]=4 205 B14R1.1128 COC(=O)C1=C(N)C=C(C(C)=O)C=C1 AC2433 [0,2,0,0,0,0|1,0,1]=4 206 B14R1.6039 CC(=O)C1=CC(C)=C(C(F)(F)F)C=C1 94897 [0,2,0,0,0,0|2,0,0]=4 207 B14R1.6039 CC(C)(C)C1=C(N)C=C([N+](=O)[O-])C=C1 71300 [0,2,0,0,0,0|2,0,0]=4 208 B14R1.15547 CN(C)C1=C(F)C=C(C(=O)O)C=C1F S11426 [0,2,0,0,0,0|2,0,0]=4 209 B14R1.719 CC(C)(C)C1=CC=C([C@@H](N)CN)C=C1 N13470 [0,2,0,0,0,0|1,0,1]=4 210 B14R1.719 CC(C)(C)C1=CC=C([C@@H](N)CN)C=C1 N13471 [0,2,0,0,0,0|1,0,1]=4 211 B14R1.719 CC(C)(C)C1=CC=C([C@@H](N)CN)C=C1 N13472 [0,2,0,0,0,0|1,0,1]=4 212 B14R1.719 CC(C)(C)C1=CC=C([C@@H](N)CN)C=C1 N13473 [0,2,0,0,0,0|1,0,1]=4 213 B14R1.719 CC(C)(C)C1=CC=C([C@@H](N)CN)C=C1 N13474 [0,2,0,0,0,0|1,0,1]=4 214 B14R1.719 CC(C)(C)C1=CC=C([C@@H](O)CN)C=C1 C78213 [0,2,0,0,0,0|0,0,2]=4 215 B14R1.719 CC[C@H](N)C1=CC=C(C(C)(C)C)C=C1 F30620 [0,2,0,0,0,0|1,0,1]=4 216 B14R1.719 CC[C@H](N)C1=CC=C(C(C)(C)C)C=C1 F52046 [0,2,0,0,0,0|1,0,1]=4 217 B14R1.719 CC[C@H](N)C1=CC=C(C(C)(C)C)C=C1 F52047 [0,2,0,0,0,0|1,0,1]=4 218 B14R1.719 CC[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 N12230 [0,2,0,0,0,0|2,0,0]=4 219 B14R1.719 COC(=O)N1C=CC(C(C)(C)C)=CC1 76664 [0,2,0,0,0,0|1,0,1]=4 220 B14R1.719 CS(=O)(=O)C1=CC=C(C(=O)CO)C=C1 AC5150 [0,2,0,0,0,0|2,0,0]=4 221 B14R1.719 O=C(CO)C1=CC=C(C(F)(F)F)C=C1 AC7158 [0,2,0,0,0,0|2,0,0]=4 222 B14R1.3332 CC(C)(C)C1=CC=C(C(C)(C)N)C=C1 N11186 [0,2,0,0,0,0|1,0,1]=4 223 B14R1.3332 CC(C)(F)C1=CC=C(S(=O)(=O)Cl)C=C1 AT11597 [0,2,0,0,0,0|2,0,0]=4 224 B14R1.610 CCOC(=O)C1=CC=C([C@H](C)N)C=C1 41013 [0,2,0,0,0,0|1,0,0]=3 225 B14R1.610 CCOC(=O)C1=CC=C([C@H](C)N)C=C1 C11667 [0,2,0,0,0,0|1,0,0]=3 226 B14R1.610 CCOC(=O)C1=CN=C(C(C)C)N=C1 69177 [0,2,0,0,0,0|2,0,0]=4 227 B14R1.610 CCOC(=O)C1=CN=C(N(C)C)C=C1 A10109 [0,2,0,0,0,0|2,0,0]=4 228 B14R1.718 COC(=O)C1=CC=C([C@@H](N)CO)C=C1 I11955 [0,2,0,0,0,0|1,0,0]=3 229 B14R1.718 COC(=O)C1=CC=C([C@@H](N)CO)C=C1 N11458 [0,2,0,0,0,0|1,0,0]=3 230 B14R1.718 COC(=O)C1=CN=C([C@@H](N)CO)C=C1 N14657 [0,2,0,0,0,0|2,0,0]=4 231 B14R1.718 COC(=O)C1=NC=C([C@@H](N)CO)C=C1 N14647 [0,2,0,0,0,0|2,0,0]=4 232 B12R2.9 BrCC1=CC=C(C2CC2)C=C1 51969 [1,0,0,1,0,0|1,0,1]=4 233 B12R2.9 CCC1=CC=C(C2CC2)C=C1 AC8465 [1,0,0,1,0,0|0,0,1]=3 234 B12R2.9 COC1=CC=C(C2CC2)C=C1 F53529 [1,0,0,1,0,0|1,0,0]=3 235 B12R2.9 ClCC1=CC=C(C2CC2)C=C1 P12610 [1,0,0,1,0,0|1,0,1]=4 236 B12R2.9 NCC1=CC=C(C2CC2)C=C1 33490 [1,0,0,1,0,0|1,0,1]=4 237 B12R2.251 O=C(O)C1=CC=C(C2CC2)O1 AT13235 [0,0,0,1,1,0|2,0,0]=4 238 B12R2.251 O=C(O)C1=CN(C2CC2)C=C1 92344 [0,0,0,1,1,0|2,0,0]=4 239 B14R2.601 CC(=O)C1=CC2=C(C=C1)C[C@H](O)C2 F53646 [0,0,0,1,0,1|1,0,0]=3 240 B14R2.601 CC1=CC2=C(C=CC([C@H](C)N)=C2)N1 96757 [0,0,0,1,0,1|2,0,0]=4 241 B14R2.601 CC1=NC2=C(C=CC([C@H](C)Cl)=C2)S1 92515 [0,0,0,1,0,1|2,0,0]=4 242 B14R2.601 CC1=NC2=C(C=CC([C@H](C)O)=C2)S1 92514 [0,0,0,1,0,1|2,0,0]=4 243 B14R2.1006 O=C(O)CC1=NC=C(C2CC2)C=C1 O10487 [0,0,0,1,0,1|2,0,0]=4 244 B14R2.4349 CC1=C(C(N)=O)C=CC(C2CC2)=N1 97352 [0,1,0,1,0,0|2,0,0]=4 245 B14R2.4349 CC1=C(C(N)=O)C=NC(C2CC2)=C1 97348 [0,1,0,1,0,0|2,0,0]=4 246 B14R2.4349 O=[N+]([O-])C1=C(F)C=C(C2CC2)C=C1 96633 [0,1,0,1,0,0|2,0,0]=4 247 B14R2.5719 CC(C)C1=CC2=C(C=C1)[C@@H](N)CO2 N16582 [0,1,0,1,0,0|1,0,1]=4 248 B14R2.5719 CC(C)C1=CC2=C(C=C1)[C@@H](N)CO2 N16583 [0,1,0,1,0,0|1,0,1]=4 249 B14R2.5719 CC(C)C1=CC2=C(C=C1)[C@@H](N)CO2 N16584 [0,1,0,1,0,0|1,0,1]=4 250 B14R2.3123 CC(C)(C)C1=CC=C(C2CC2)C=C1 AC8321 [0,1,0,1,0,0|1,0,1]=4 251 B14R2.3123 O=S(=O)(Cl)C1=CC=C(C2CC2)C=C1 C15045 [0,1,0,1,0,0|2,0,0]=4 252 B14R2.964 COC(=O)C1=CC=C(C2CC2)C=C1 F52088 [0,1,0,1,0,0|0,0,0]=2 253 B14R2.964 COC(=O)C1=CN=C(C2CC2)C=C1 94059 [0,1,0,1,0,0|1,0,0]=3 254 B14R2.9475 O=C(O)C1=CC=C(C2CCC2)C=C1 33483 [0,1,0,1,0,0|1,0,0]=3 255 B10R1.31 CC(C)C1=CC=C(C=O)O1 F53542 [1,0,0,0,1,0|1,0,0]=3 256 B10R1.31 CC(C)C1=CSC(C=O)=N1 F14711 [1,0,0,0,1,0|2,0,0]=4 257 B10R1.31 CC(C)C1=NNC(C=O)=C1 AT15964 [1,0,0,0,1,0|2,0,0]=4 258 B10R1.31 CCC1=CC=C(C(=O)O)O1 AT17158 [1,0,0,0,1,0|2,0,0]=4 259 B12R1.4 CC(C)SC1=CC=C(CCl)C=C1 AT20997 [1,0,0,0,0,1|1,0,1]=4 260 B12R1.4 CC(C)SC1=CC=C(CO)C=C1 AT20984 [1,0,0,0,0,1|0,0,2]=4 261 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [1,0,0,0,0,1|2,0,0]=4 262 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [1,0,0,0,0,1|1,0,0]=3 263 B12R1.258 CC(=O)C1=NC(N(C)C)=CC=C1 F13170 [0,0,0,0,1,1|2,0,0]=4 264 B12R1.258 CC(C)C1=CC([N+](=O)[O-])=CN=C1 O11025 [0,0,0,0,1,1|2,0,0]=4 265 B12R1.258 CC(C)C1=CC=CC([C@H](C)N)=C1 N12966 [0,0,0,0,1,1|1,0,1]=4 266 B12R1.258 CC(C)C1=CC=CC([C@H](C)N)=C1 N14887 [0,0,0,0,1,1|1,0,1]=4 267 B12R1.258 CN(C)C1=CC(C(=O)O)=CN=C1 30492 [0,0,0,0,1,1|2,0,0]=4 268 B14R1.419 CC(C)C1=CC=C(SCC(=O)O)C=C1 AT20940 [0,0,0,0,0,2|1,0,0]=3 269 B14R1.419 CC(C)NCC1=CC=C([N+](=O)[O-])C=C1 AC5329 [0,0,0,0,0,2|2,0,0]=4