0 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 C75099 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.20 CC(=O)NC1=NC=C(Br)C=N1 C12628 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 C73008 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.20 CC(=O)NC1=NN=C(Cl)C=C1 F52718 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.20 CC(C)NC1=CC=C(F)C=C1 22289 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C71698 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P18240 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 AT20955 [0,0,0,0,0,0|2,1,1]=4 9 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.20 CC1=CN=C(OC(C)C)C=C1 W12584 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 84989 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14838 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11301 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11302 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11173 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11623 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 84990 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 C75202 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 24230 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 84999 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 F19774 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 F18175 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 89138 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 89139 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 P12089 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.1 CCOC1=NC=C(Cl)C=C1 F52729 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [1,0,0,0,0,0|0,1,1]=3 35 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.1 COCC1=CC=C(O)C=C1 63646 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [1,0,0,0,0,0|2,1,0]=4 46 B12R1.4 C#CC1=CN=C(NC(C)=O)C=C1 68736 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 C77608 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 F19945 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 N12164 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.4 CCC1=CC=C(NC(C)=O)C=C1 Y10852 [0,1,0,0,0,0|1,0,0]=2 51 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13064 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 C11131 [0,1,0,0,0,0|0,0,0]=1 53 B12R1.4 C[S@](=O)CC1=CC=C(C#N)C=C1 W19328 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CK1029 [0,1,0,0,0,0|2,0,0]=3 55 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 AC6356 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 CX1079 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 W16241 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.19 CC(=O)NC1=CC(Br)=C(Cl)C=C1 W18000 [0,1,0,0,0,0|2,0,0]=3 59 B12R1.19 CC(=O)NC1=CC(C)=C(O)C=C1 C73156 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.19 CC(=O)NC1=CC(N)=C(O)C=C1 W13329 [0,1,0,0,0,0|2,0,0]=3 61 B12R1.19 CC1=C(Br)C=C(CC(=O)O)C=C1 97482 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.19 CC1=C(N)C=C(OC(C)C)C=C1 W11212 [0,1,0,0,0,0|1,0,1]=3 63 B12R1.19 CC1=C(N)C=CC(OC(C)C)=C1 W16012 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.19 NC(=O)NC1=CC(Cl)=C(Cl)C=C1 24890 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.19 NC1=C(Br)C=C(CC(=O)O)C=C1 D78654 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 A11218 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.19 NC1=C(N)C=C(CC(=O)O)C=C1 AB9013 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.19 O=C(O)CC1=CC(Cl)=C(Br)C=C1 CL9560 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 H10945 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.20 CC(=O)N(C)C1=CC=C(C)C=C1 D93545 [0,1,0,0,0,0|1,0,0]=2 71 B12R1.20 CC1=CC=C(C(=O)C(C)C)C=C1 N13973 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 D80223 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y13382 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11241 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11242 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.20 CC1=CC=C([C@@H](O)C(=O)O)C=C1 F20952 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC1142 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC3350 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.20 NC(=O)C(=O)C1=CC=C(Br)C=C1 A10635 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N12474 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y10441 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y11071 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 61234 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 AB10481 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 57454 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 AB11475 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 F16678 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 25102 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.20 O=C([O-])C(=O)C1=CC=C(O)C=C1 38640 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 C76190 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.49 C=CC(=O)NC1=CC=C(N)C=C1 A10042 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 W18215 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.49 CC1=CC=C(O[C@@H](C)CN)C=C1 AR3806 [0,1,0,0,0,0|1,0,1]=3 94 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 79685 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 N14142 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 C11963 [0,1,0,0,0,0|1,0,0]=2 98 B12R1.49 CNC(=S)NC1=CC=C(Br)C=C1 F19872 [0,1,0,0,0,0|2,1,0]=4 99 B12R1.49 COC(=O)CC1=CN=C(Br)C=C1 AB22708 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.49 COC(=O)CC1=CN=C(C)C=C1 74980 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 P11352 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.49 C[C@@H](CN)OC1=CC=C(F)C=C1 AR3803 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.49 C[C@@H](CN)OC1=CC=C(F)C=C1 AR3971 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.49 NCC(=O)NC1=CC=C(F)C=C1 F20087 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.49 O=C(CCl)NC1=CC=C(O)C=C1 69837 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.106 CC1=CC=C(OC(C)(C)C)C=C1 CK2379 [0,1,0,0,0,0|1,0,1]=3 107 B12R1.106 O=P([O-])([O-])OC1=CC=C(O)C=C1 C73842 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 C72216 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.233 CC(=O)CC1=C(F)C=C(F)C=C1 N12745 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.233 CC(=O)NC1=C(I)C=C(Br)C=C1 71393 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.233 CC(=O)NC1=C(O)C=C(C)C=C1 D96026 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.233 CC(C)OC1=C(F)C=C(N)C=C1 24274 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.233 CC(C)OC1=C(N)C=C(Br)C=C1 C90902 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.233 CC1=C(CC(=O)O)C=CC(N)=C1 72069 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.233 CC1=CC(Br)=C(OC(C)C)N=C1 C76432 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.233 NC1=C(CC(=O)O)C=CC(Br)=C1 98287 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 CL8759 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.233 O=C(O)CC1=C(O)C=C(Br)C=C1 CL9173 [0,1,0,0,0,0|3,0,0]=4 119 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 27371 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 33909 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.606 CC1=CC2=C(C=C(I)C=C2)N1 P15438 [0,0,0,1,0,0|3,0,0]=4 122 B12R2.606 CC1=CC2=C(C=C(N)C=C2)N1 P11525 [0,0,0,1,0,0|3,0,0]=4 123 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 F21500 [0,0,0,1,0,0|2,0,1]=4 124 B12R2.606 CC1=CC2=C(C=C1)N=C(Br)S2 71677 [0,0,0,1,0,0|2,1,0]=4 125 B12R2.606 CC1=CC2=C(C=C1)N=C(Cl)S2 W10452 [0,0,0,1,0,0|2,1,0]=4 126 B12R2.606 CC1=CC2=C(C=C1)N=C(N)O2 52985 [0,0,0,1,0,0|2,0,1]=4 127 B12R2.606 CC1=CC2=C(C=C1)N=C(S)O2 T72123 [0,0,0,1,0,0|2,0,1]=4 128 B12R2.606 CC1=CC2=C(C=C1)N=C(S)S2 W17074 [0,0,0,1,0,0|2,1,0]=4 129 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 F15190 [0,0,0,1,0,0|2,0,0]=3 130 B12R2.606 CC1=CC2=C(C=C1)N[C@@H](C)C2 D78738 [0,0,0,1,0,0|2,0,1]=4 131 B12R2.606 CC1=CC2=C(C=C1)SC(Br)=N2 W10487 [0,0,0,1,0,0|2,1,0]=4 132 B12R2.606 CC1=CC2=C(C=C1)SC(Cl)=N2 C15674 [0,0,0,1,0,0|2,1,0]=4 133 B12R2.606 CC1=CC2=C(C=C1)SC(N)=N2 W10174 [0,0,0,1,0,0|2,1,0]=4 134 B12R2.606 CC1=CC2=C(C=CC(C)=N2)N1 I10966 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.606 CC1=CC2=C(CC(=O)N2)N=C1 D97288 [0,0,0,1,0,0|3,0,0]=4 136 B12R2.606 CC1=CC2=C(N=C(C)C=C2)N1 61972 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)S1 F15069 [0,0,0,1,0,0|2,1,0]=4 138 B12R2.606 CC1=NC2=C(C=C(F)C=C2)N1 W17343 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.606 CC1=NC2=C(C=CC(I)=C2)S1 68181 [0,0,0,1,0,0|2,1,0]=4 140 B12R2.606 CC1=NC2=C(C=CC(N)=C2)O1 78609 [0,0,0,1,0,0|2,0,0]=3 141 B12R2.606 CC1=NC2=C(C=CC(O)=C2)N1 C75100 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 I10199 [0,0,0,1,0,0|2,0,0]=3 143 B12R2.606 CC1=NC2=CC(Br)=CN=C2O1 C71522 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.606 C[C@H]1CC2=C(C=CC(Br)=C2)O1 72190 [0,0,0,1,0,0|2,0,1]=4 145 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 36068 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.606 FC1=CC2=C(C=C1)OC(Cl)=N2 F30138 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.606 NC1=CC2=C(C=C1)CC(=O)C2 88115 [0,0,0,1,0,0|2,0,0]=3 148 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 D82169 [0,0,0,1,0,0|1,0,0]=2 149 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 26376 [0,0,0,1,0,0|2,0,0]=3 150 B12R2.606 O=C1CC2=C(C=C(F)C=C2)C1 53683 [0,0,0,1,0,0|2,0,0]=3 151 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 F30698 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)O1 D78722 [0,0,0,1,0,0|1,0,0]=2 153 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 37498 [0,0,0,1,0,0|3,0,0]=4 154 B12R2.606 O=C1CC2=CC(Br)=NC=C2N1 38150 [0,0,0,1,0,0|3,0,0]=4 155 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 27366 [0,0,0,1,0,0|3,0,0]=4 156 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 27626 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.606 O=C1CC2=CC(I)=CN=C2N1 F18613 [0,0,0,1,0,0|3,0,0]=4 158 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 24744 [0,0,0,1,0,0|3,0,0]=4 159 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 A12501 [0,0,0,1,0,0|3,0,0]=4 160 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)S1 27037 [0,0,0,1,0,0|2,1,0]=4 161 B12R2.606 O=C1NC2=C(C=CC(Br)=N2)O1 AC2056 [0,0,0,1,0,0|3,0,0]=4 162 B12R2.606 O=C1NC2=C(C=CC(O)=C2)O1 D83229 [0,0,0,1,0,0|2,0,0]=3 163 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 C75325 [0,0,0,1,0,0|2,1,0]=4 164 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [0,0,0,0,1,0|2,0,0]=3 165 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,0,0,0,1,0|1,0,0]=2 166 B10R1.13 CC(=O)C1=CN=C(O)N=C1 F13147 [0,0,0,0,1,0|3,0,0]=4 167 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 38376 [0,0,0,0,1,0|3,0,0]=4 168 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [0,0,0,0,1,0|2,0,0]=3 169 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,0,0,0,1,0|2,0,0]=3 170 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,0,0,0,1,0|2,0,0]=3 171 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,0,0,0,1,0|2,0,0]=3 172 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [0,0,0,0,1,0|3,0,0]=4 173 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [0,0,0,0,1,0|3,0,0]=4 174 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [0,0,0,0,1,0|2,0,1]=4 175 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [0,0,0,0,1,0|1,0,1]=3 176 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [0,0,0,0,1,0|1,0,1]=3 177 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,0,0,0,1,0|0,0,2]=3 178 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [0,0,0,0,1,0|2,0,0]=3 179 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [0,0,0,0,1,0|2,0,0]=3 180 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,0,0,0,1,0|1,0,0]=2 181 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [0,0,0,0,1,0|1,0,2]=4 182 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [0,0,0,0,1,0|3,0,0]=4 183 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [0,0,0,0,1,0|2,0,1]=4 184 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,0,0,0,1,0|1,0,2]=4 185 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [0,0,0,0,1,0|2,0,1]=4 186 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [0,0,0,0,1,0|2,0,1]=4 187 B10R1.13 CN(N)C1=CC=C(Br)C=C1 E10129 [0,0,0,0,1,0|3,0,0]=4 188 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [0,0,0,0,1,0|2,0,1]=4 189 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [0,0,0,0,1,0|2,0,1]=4 190 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [0,0,0,0,1,0|2,0,1]=4 191 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [0,0,0,0,1,0|2,0,1]=4 192 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [0,0,0,0,1,0|2,0,1]=4 193 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [0,0,0,0,1,0|2,0,1]=4 194 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [0,0,0,0,1,0|2,0,1]=4 195 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [0,0,0,0,1,0|2,0,1]=4 196 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [0,0,0,0,1,0|2,0,1]=4 197 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [0,0,0,0,1,0|2,0,1]=4 198 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [0,0,0,0,1,0|2,0,1]=4 199 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [0,0,0,0,1,0|1,0,2]=4 200 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [0,0,0,0,1,0|1,0,2]=4 201 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [0,0,0,0,1,0|1,0,2]=4 202 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [0,0,0,0,1,0|3,0,0]=4 203 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [0,0,0,0,1,0|3,0,0]=4 204 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [0,0,0,0,1,0|3,0,0]=4 205 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [0,0,0,0,1,0|3,0,0]=4 206 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [0,0,0,0,1,0|2,0,0]=3 207 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [0,0,0,0,1,0|3,0,0]=4 208 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 A10073 [0,0,0,0,1,0|1,0,2]=4 209 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 P15221 [0,0,0,0,1,0|1,0,2]=4 210 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [0,0,0,0,0,1|2,0,0]=3 211 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [0,0,0,0,0,1|2,0,0]=3 212 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 F12211 [0,0,0,0,0,1|2,0,0]=3 213 B12R1.21 CC(C)OCC1=CC=C(Br)C=C1 N10192 [0,0,0,0,0,1|2,0,1]=4 214 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 F50498 [0,0,0,0,0,1|1,0,1]=3 215 B12R1.21 CC1=CN=C(CCC(=O)O)C=C1 72577 [0,0,0,0,0,1|3,0,0]=4 216 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 72581 [0,0,0,0,0,1|3,0,0]=4 217 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 46011 [0,0,0,0,0,1|3,0,0]=4 218 B12R1.21 NC(=S)COC1=CC=C(Br)C=C1 W19015 [0,0,0,0,0,1|2,1,0]=4 219 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 25118 [0,0,0,0,0,1|3,0,0]=4 220 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 89770 [0,0,0,0,0,1|3,0,0]=4 221 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.1 COC1=CN=C(F)C=C1 98092 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.1 C[N+]1=CC=C(C=O)C=C1 D95156 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [2,0,0,0,0,0|2,0,0]=4 228 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C72197 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.1 OCCOC1=CC=C(Br)C=C1 AC1411 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 A11786 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.81 CC1=CC(C)=C(NC=O)C=C1 E70411 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 C75445 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.81 CCOC1=C(F)C=C(O)C=C1 36938 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.83 C=COC1=CC=C(CO)C=C1 D80867 [1,1,0,0,0,0|0,0,1]=3 243 B11R1.83 CCCC1=CC=C(CN)C=C1 35547 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.83 CCCC1=CC=C(CN)C=C1 Y14555 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.83 CCOC1=NC=C(CCl)C=C1 AB10985 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.83 CCOC1=NC=C(CO)C=C1 20990 [1,1,0,0,0,0|1,0,1]=4 247 B11R1.83 COC1=CC=C(CC=O)C=C1 F11615 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.83 COC1=CC=C(CSC)C=C1 W18269 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.192 CCOC1=CC(F)=C(N)C=C1 A12546 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [1,1,0,0,0,0|0,0,0]=2 254 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.86 CC(C)OC1=C(O)C=CC=C1 D71146 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 W18608 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 36520 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 FD10602 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [1,1,0,0,0,0|0,0,0]=2 268 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 C75148 [1,1,0,0,0,0|0,0,0]=2 269 B11R1.157 CC(C)OC1=CC(O)=CC=C1 C13518 [1,1,0,0,0,0|1,0,1]=4 270 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 C72191 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.509 C[S@](=N)(=O)CC1=CC=CC=C1 W18265 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 A50667 [0,1,0,0,1,0|0,0,1]=3 274 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 AC1342 [0,1,0,0,1,0|1,0,0]=3 275 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [0,1,0,0,1,0|0,0,0]=2 276 B11R1.3 CC(=O)C1=NC=C(C#N)C=C1 W17133 [0,1,0,0,1,0|1,0,1]=4 277 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 D81145 [0,1,0,0,1,0|1,0,1]=4 278 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 Y13670 [0,1,0,0,1,0|1,0,1]=4 279 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 S10908 [0,1,0,0,1,0|2,0,0]=4 280 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 W10833 [0,1,0,0,1,0|2,0,0]=4 281 B11R1.3 CCC1=NC=C(C(C)=O)C=N1 D81149 [0,1,0,0,1,0|2,0,0]=4 282 B11R1.3 CNC1=CC=C(C(C)C)C=C1 D95133 [0,1,0,0,1,0|1,0,1]=4 283 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72879 [0,1,0,0,1,0|0,0,2]=4 284 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72977 [0,1,0,0,1,0|0,0,2]=4 285 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [0,1,0,0,1,0|2,0,0]=4 286 B11R1.3 COC1=CN=C(C(C)=O)N=C1 97279 [0,1,0,0,1,0|2,0,0]=4 287 B11R1.3 COC1=NC=C(C(C)=O)C=N1 C71224 [0,1,0,0,1,0|2,0,0]=4 288 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20995 [0,1,0,0,1,0|1,0,1]=4 289 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20996 [0,1,0,0,1,0|1,0,1]=4 290 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D81124 [0,1,0,0,1,0|1,0,1]=4 291 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33613 [0,1,0,0,1,0|1,0,1]=4 292 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33618 [0,1,0,0,1,0|1,0,1]=4 293 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33808 [0,1,0,0,1,0|1,0,1]=4 294 B11R1.3 C[S@](=O)C1=CC=C(C#N)C=C1 W16291 [0,1,0,0,1,0|1,0,1]=4 295 B11R1.3 C[S@](=O)C1=CC=C(CN)C=C1 AR2414 [0,1,0,0,1,0|1,0,0]=3 296 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 D82598 [0,1,0,0,1,0|1,0,0]=3 297 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15750 [0,1,0,0,1,0|1,0,0]=3 298 B11R1.3 NCC1=CN=C(C(=O)O)C=C1 N14194 [0,1,0,0,1,0|2,0,0]=4 299 B11R1.3 NCC1=NC=C(C(=O)O)C=C1 51960 [0,1,0,0,1,0|2,0,0]=4 300 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 11076 [0,1,0,0,1,0|2,0,0]=4 301 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 P18087 [0,1,0,0,1,0|2,0,0]=4 302 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 C75020 [0,1,0,0,1,0|2,0,0]=4 303 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 20480 [0,1,0,0,1,0|2,0,0]=4 304 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 55666 [0,1,0,0,1,0|2,0,0]=4 305 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 63204 [0,1,0,0,1,0|2,0,0]=4 306 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 87616 [0,1,0,0,1,0|2,0,0]=4 307 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 91259 [0,1,0,0,1,0|2,0,0]=4 308 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 C73216 [0,1,0,0,1,0|2,0,0]=4 309 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS3396 [0,1,0,0,1,0|2,0,0]=4 310 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS3405 [0,1,0,0,1,0|2,0,0]=4 311 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 D83842 [0,1,0,0,1,0|2,0,0]=4 312 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F51928 [0,1,0,0,1,0|2,0,0]=4 313 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 H11175 [0,1,0,0,1,0|2,0,0]=4 314 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P18527 [0,1,0,0,1,0|2,0,0]=4 315 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 S11121 [0,1,0,0,1,0|2,0,0]=4 316 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W10985 [0,1,0,0,1,0|2,0,0]=4 317 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13813 [0,1,0,0,1,0|2,0,0]=4 318 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13814 [0,1,0,0,1,0|2,0,0]=4 319 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13829 [0,1,0,0,1,0|2,0,0]=4 320 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 38109 [0,1,0,0,1,0|2,0,0]=4 321 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 D70941 [0,1,0,0,1,0|2,0,0]=4 322 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 C75280 [0,1,0,0,1,0|2,0,0]=4 323 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 AC6545 [0,1,0,0,1,0|2,0,0]=4 324 B11R1.19 C[S@](=N)(=O)C1=CC=C(Br)C=C1 W10955 [0,1,0,0,1,0|2,0,0]=4 325 B11R1.21 CC(=O)C1=CC(=O)N(C)C=C1 90625 [0,1,0,0,1,0|1,0,0]=3 326 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 C77271 [0,1,0,0,1,0|1,0,0]=3 327 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 F53231 [0,1,0,0,1,0|2,0,0]=4 328 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 20733 [0,1,0,0,1,0|1,0,0]=3 329 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 C15500 [0,1,0,0,1,0|1,0,0]=3 330 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 21187 [0,1,0,0,1,0|1,0,0]=3 331 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 C73283 [0,1,0,0,1,0|0,0,0]=2 332 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 FD17092 [0,1,0,0,1,0|1,0,0]=3 333 B11R1.21 CC(=O)C1=CC(N)=C(N)C=C1 D70632 [0,1,0,0,1,0|1,0,0]=3 334 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 T71038 [0,1,0,0,1,0|1,0,0]=3 335 B11R1.21 CC(=O)C1=CC(O)=C(Br)C=C1 AB10068 [0,1,0,0,1,0|1,0,0]=3 336 B11R1.21 CC(=O)C1=CN(C)C(=O)C=C1 90627 [0,1,0,0,1,0|2,0,0]=4 337 B11R1.21 CC(=O)C1=CN=C(C)C(C)=C1 D93974 [0,1,0,0,1,0|1,0,0]=3 338 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C72016 [0,1,0,0,1,0|2,0,0]=4 339 B11R1.21 CC(=O)C1=CN=C(N)C(C)=C1 D80389 [0,1,0,0,1,0|2,0,0]=4 340 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 C71660 [0,1,0,0,1,0|2,0,0]=4 341 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y10159 [0,1,0,0,1,0|1,0,1]=4 342 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y11763 [0,1,0,0,1,0|1,0,1]=4 343 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y13629 [0,1,0,0,1,0|1,0,1]=4 344 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y13905 [0,1,0,0,1,0|1,0,1]=4 345 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 C76662 [0,1,0,0,1,0|2,0,0]=4 346 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 O11218 [0,1,0,0,1,0|2,0,0]=4 347 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 F16970 [0,1,0,0,1,0|1,0,1]=4 348 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 Y11029 [0,1,0,0,1,0|1,0,1]=4 349 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 Y11059 [0,1,0,0,1,0|1,0,1]=4 350 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 Y11531 [0,1,0,0,1,0|1,0,1]=4 351 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 C10557 [0,1,0,0,1,0|2,0,0]=4 352 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 N10471 [0,1,0,0,1,0|1,0,1]=4 353 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 Y10777 [0,1,0,0,1,0|1,0,1]=4 354 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 Y14522 [0,1,0,0,1,0|1,0,1]=4 355 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 Y14600 [0,1,0,0,1,0|1,0,1]=4 356 B11R1.21 CC1=C(F)C=CC(C(N)=O)=C1 A51175 [0,1,0,0,1,0|2,0,0]=4 357 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 34381 [0,1,0,0,1,0|1,0,1]=4 358 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11247 [0,1,0,0,1,0|1,0,1]=4 359 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11248 [0,1,0,0,1,0|1,0,1]=4 360 B11R1.21 CC1=C(O)N=C(C(=O)O)C=C1 90209 [0,1,0,0,1,0|2,0,0]=4 361 B11R1.21 CC1=CC(C(=O)O)=CN=C1C D86774 [0,1,0,0,1,0|2,0,0]=4 362 B11R1.21 CC1=CC(C(N)=O)=CN=C1C D93908 [0,1,0,0,1,0|2,0,0]=4 363 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br 87755 [0,1,0,0,1,0|2,0,0]=4 364 B11R1.21 CC1=NC=C(C(=O)O)C=C1N 38876 [0,1,0,0,1,0|2,0,0]=4 365 B11R1.21 CN1C=CC(C(N)=O)=CC1=O P10284 [0,1,0,0,1,0|2,0,0]=4 366 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 D73480 [0,1,0,0,1,0|2,0,0]=4 367 B11R1.21 NC(=O)C1=CC(O)=C(Br)C=C1 AC7242 [0,1,0,0,1,0|2,0,0]=4 368 B11R1.21 NC(=O)C1=CC(O)=C(N)C=C1 Y11587 [0,1,0,0,1,0|2,0,0]=4 369 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 S10893 [0,1,0,0,1,0|2,0,0]=4 370 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 D84788 [0,1,0,0,1,0|2,0,0]=4 371 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 CK2246 [0,1,0,0,1,0|2,0,0]=4 372 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 77817 [0,1,0,0,1,0|0,0,0]=2 373 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 34088 [0,1,0,0,1,0|1,0,0]=3 374 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 52517 [0,1,0,0,1,0|1,0,0]=3 375 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 79163 [0,1,0,0,1,0|1,0,0]=3 376 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=N1 BL010219 [0,1,0,0,1,0|2,0,0]=4 377 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 I12065 [0,1,0,0,1,0|1,0,0]=3 378 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 50881 [0,1,0,0,1,0|2,0,0]=4 379 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 W18192 [0,1,0,0,1,0|0,0,0]=2 380 B11R1.166 CC(=O)C1=CC=C(F)N=C1F O10255 [0,1,0,0,1,0|2,0,0]=4 381 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl 86422 [0,1,0,0,1,0|2,0,0]=4 382 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C C14359 [0,1,0,0,1,0|2,0,0]=4 383 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C D79870 [0,1,0,0,1,0|2,0,0]=4 384 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1F BL010223 [0,1,0,0,1,0|2,0,0]=4 385 B11R1.166 CC1=C(C(=O)O)C=CC(I)=C1 31871 [0,1,0,0,1,0|2,0,0]=4 386 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 Y11487 [0,1,0,0,1,0|1,0,1]=4 387 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81528 [0,1,0,0,1,0|1,0,1]=4 388 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 P12274 [0,1,0,0,1,0|2,0,0]=4 389 B11R1.166 CC1=NC(N)=C(C(N)=O)C=C1 D83361 [0,1,0,0,1,0|2,0,0]=4 390 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=C1 35389 [0,1,0,0,1,0|2,0,0]=4 391 B11R1.166 NC(=O)C1=C(Br)C=C(I)C=C1 C72078 [0,1,0,0,1,0|2,0,0]=4 392 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 25114 [0,1,0,0,1,0|2,0,0]=4 393 B11R1.166 NC(=O)C1=C(N)C=C(O)C=C1 C76630 [0,1,0,0,1,0|2,0,0]=4 394 B11R1.166 NC(=O)C1=C(O)C=C(Cl)C=C1 72118 [0,1,0,0,1,0|2,0,0]=4 395 B11R1.166 NC(=O)C1=C(O)C=C(N)C=C1 O11153 [0,1,0,0,1,0|2,0,0]=4 396 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 D95034 [0,1,0,0,1,0|2,0,0]=4 397 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 C13381 [0,1,0,0,1,0|2,0,0]=4 398 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 87763 [0,1,0,0,0,1|1,0,1]=4 399 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 C13079 [0,1,0,0,0,1|1,0,1]=4 400 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 D86907 [0,1,0,0,0,1|2,0,0]=4 401 B13R1.3 COC1=CC=C(COC(=O)Cl)C=C1 D81342 [0,1,0,0,0,1|1,0,0]=3 402 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 A11033 [0,1,0,0,0,1|1,0,0]=3 403 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 C71095 [0,1,0,0,0,1|2,0,0]=4 404 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 A50582 [0,1,0,0,0,1|1,0,1]=4 405 B13R1.14 COC(=O)C#CC1=CC=C(F)C=C1 F15255 [0,1,0,0,0,1|2,0,0]=4 406 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 D87477 [0,1,0,0,0,1|1,0,0]=3 407 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C74823 [0,1,0,0,0,1|2,0,0]=4 408 B13R1.14 COC(=O)CNC1=CC=C(O)C=C1 C14201 [0,1,0,0,0,1|2,0,0]=4 409 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 C75289 [0,1,0,0,0,1|1,0,0]=3 410 B13R1.14 COC(=O)COC1=CN=C(Cl)C=C1 AC2367 [0,1,0,0,0,1|2,0,0]=4 411 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 F11171 [0,1,0,0,0,1|2,0,0]=4 412 B13R1.133 CC1=CC=C(O[C@@H](C)C(=O)O)C=C1 AR3824 [0,1,0,0,0,1|1,0,0]=3 413 B13R1.133 C[C@H](OC1=CC=C(Cl)C=C1)C(=O)O A50595 [0,1,0,0,0,1|2,0,0]=4 414 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 D72463 [0,1,0,0,0,1|2,0,0]=4 415 B13R1.511 CC(=O)\C=C\C1=CC(O)=C(O)C=C1 D95842 [0,1,0,0,0,1|2,0,0]=4 416 B13R1.511 CC1=C(Br)C=C(CCC(=O)O)C=C1 F52888 [0,1,0,0,0,1|2,0,0]=4 417 B13R1.511 CC1=C(F)C=C(CCC(=O)O)C=C1 F52900 [0,1,0,0,0,1|2,0,0]=4 418 B13R1.511 O=C(O)COC1=CC(Cl)=C(Cl)C=C1 A50585 [0,1,0,0,0,1|2,0,0]=4 419 B13R1.511 O=C(O)COC1=CC(F)=C(Cl)C=C1 W18931 [0,1,0,0,0,1|2,0,0]=4 420 B13R1.4 CC(C)(C)OC1=CC=C(CBr)C=C1 AB10394 [0,2,0,0,0,0|1,0,1]=4 421 B13R1.4 CC(C)(C)OC1=CC=C(CO)C=C1 CL8733 [0,2,0,0,0,0|1,0,1]=4 422 B13R1.5 C=CC(=O)OC1=CC=C(CC)C=C1 Y14655 [0,2,0,0,0,0|0,0,1]=3 423 B13R1.5 CCC(=O)CC1=CC=C(OC)C=C1 N14177 [0,2,0,0,0,0|1,0,0]=3 424 B13R1.5 CCC(=O)NC1=CC=C(OC)C=C1 W10776 [0,2,0,0,0,0|1,0,0]=3 425 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 76596 [0,2,0,0,0,0|1,0,0]=3 426 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 W18806 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.5 COC1=CC=C(C[C@H](C)C=O)C=C1 64484 [0,2,0,0,0,0|1,0,1]=4 428 B13R1.5 COC1=CC=C(O[C@@H](C)CN)C=C1 AR3968 [0,2,0,0,0,0|1,0,1]=4 429 B13R1.35 COC1=C(C)C=C(NC(C)=O)C=C1 20576 [0,2,0,0,0,0|1,0,0]=3 430 B13R1.35 COC1=C(F)C=C(NC(C)=O)C=C1 28023 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.36 COC1=CC=C(C(=O)C(C)=O)C=C1 O10296 [0,2,0,0,0,0|1,0,0]=3 432 B13R1.36 COC1=CC=C([C@@H](Br)C(=O)O)C=C1 F52417 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.36 COC1=CC=C([C@@H](C)C(=O)O)C=C1 27914 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.36 COC1=CC=C([C@@H](C)C(=O)O)C=C1 63436 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11808 [0,2,0,0,0,0|2,0,0]=4 436 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11809 [0,2,0,0,0,0|2,0,0]=4 437 B13R1.142 NCCC1=CC=C(CC(=O)O)C=C1 W12538 [0,2,0,0,0,0|2,0,0]=4 438 B13R1.585 CC(=O)NC1=CC=C([C@H](C)N)C=C1 F31042 [0,2,0,0,0,0|1,0,0]=3 439 B13R1.585 CC(=O)OC1=CC=C(B(O)O)C=C1 33011 [0,2,0,0,0,0|1,0,0]=3 440 B13R1.585 CC(=O)OC1=CC=C(C(C)=O)C=C1 D88059 [0,2,0,0,0,0|0,0,0]=2 441 B13R1.585 CC(C)OC1=CC=C([C@H](C)N)C=C1 D81602 [0,2,0,0,0,0|1,0,1]=4 442 B13R1.52 COC1=C(C)C=CC(CC(=O)O)=C1 CL9702 [0,2,0,0,0,0|2,0,0]=4 443 B13R1.52 COC1=C(O)C=CC(OC(C)=O)=C1 AC6384 [0,2,0,0,0,0|1,0,0]=3 444 B13R1.510 CC1=C(F)C=C([C@@H](N)C(=O)O)C=C1 N12268 [0,2,0,0,0,0|2,0,0]=4 445 B13R1.876 CC(=O)NC1=C(I)C=C(I)C(N)=C1 D79348 [0,2,0,0,0,0|2,0,0]=4 446 B13R1.876 CC(=O)NC1=CC(Br)=C(F)C=C1F D78950 [0,2,0,0,0,0|2,0,0]=4 447 B13R1.2879 COC(=O)CC1=CC(Br)=C(O)C=C1 85247 [0,2,0,0,0,0|2,0,0]=4 448 B13R1.2879 COC(=O)CC1=CC(Cl)=C(O)C=C1 50177 [0,2,0,0,0,0|2,0,0]=4 449 B13R1.2879 COC(=O)CC1=CC(N)=C(O)C=C1 78882 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.2879 COC(=O)CC1=CC(O)=C(N)C=C1 F30940 [0,2,0,0,0,0|2,0,0]=4 451 B13R1.2879 COC(=O)CC1=CC(O)=C(O)C=C1 AB10048 [0,2,0,0,0,0|2,0,0]=4 452 B13R1.3763 CC(=O)NC1=CC(F)=C(F)C(F)=C1 W11178 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.21 COC(=O)C(=O)C1=CC=C(Cl)C=C1 AB11755 [0,2,0,0,0,0|2,0,0]=4 454 B13R1.21 COC(=O)C(=O)C1=CC=C(O)C=C1 A11230 [0,2,0,0,0,0|2,0,0]=4 455 B13R1.21 COC(=O)[C@H](Br)C1=CC=C(Cl)C=C1 76684 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.21 COC(=O)[C@H](Br)C1=CC=C(F)C=C1 58583 [0,2,0,0,0,0|2,0,0]=4 457 B13R1.21 COC(=O)[C@H](C)C1=CC=C(N)C=C1 20786 [0,2,0,0,0,0|2,0,0]=4 458 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Br)C=C1 N11231 [0,2,0,0,0,0|2,0,0]=4 459 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Br)C=C1 N11232 [0,2,0,0,0,0|2,0,0]=4 460 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Br)C=C1 N12298 [0,2,0,0,0,0|2,0,0]=4 461 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Cl)C=C1 63844 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Cl)C=C1 F52667 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.21 COC(=O)[C@H](O)C1=CC=C(F)C=C1 AB10117 [0,2,0,0,0,0|2,0,0]=4 464 B13R1.163 CC1=CC(C)=C([C@@H](N)C(=O)O)C=C1 98161 [0,2,0,0,0,0|2,0,0]=4 465 B13R1.163 CC1=CC(Cl)=C([C@@H](N)C(=O)O)C=C1 Y12579 [0,2,0,0,0,0|2,0,0]=4 466 B13R1.163 CC1=CC(Cl)=C([C@@H](N)C(=O)O)C=C1 Y12580 [0,2,0,0,0,0|2,0,0]=4 467 B13R1.163 CC1=CC(F)=C([C@@H](N)C(=O)O)C=C1 Y12529 [0,2,0,0,0,0|2,0,0]=4 468 B13R1.163 CC1=CC(F)=C([C@@H](N)C(=O)O)C=C1 Y12530 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.19 CCNC(=O)NC1=CC=C(Br)C=C1 C12551 [0,2,0,0,0,0|2,0,0]=4 470 B13R1.19 CCOC(=O)CC1=NC=C(C)C=C1 12065 [0,2,0,0,0,0|2,0,0]=4 471 B13R1.19 CCOC(=O)NC1=CC=C(N)C=C1 D96066 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.249 CC1=CC=C(OS(=O)(=O)NO)C=C1 AB10094 [0,2,0,0,0,0|2,0,0]=4 473 B13R1.2679 COC(=O)CC1=C(Br)C=C(F)C=C1 Y13500 [0,2,0,0,0,0|2,0,0]=4 474 B13R1.2679 COC(=O)CC1=C(C)C=C(Br)C=C1 93717 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.2679 COC(=O)CC1=C(Cl)C=C(Br)C=C1 76646 [0,2,0,0,0,0|2,0,0]=4 476 B13R1.2679 COC(=O)CC1=C(O)C=C(Br)C=C1 AB10285 [0,2,0,0,0,0|2,0,0]=4 477 B13R1.2679 COC(=O)CC1=C(O)C=C(O)C=C1 32656 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.51 CC1=CC(C=O)=C(OC(C)C)C=C1 C75854 [0,2,0,0,0,0|1,0,1]=4 479 B13R1.2808 CC(=O)NC1=C(C)C=C(Br)C=C1C W11658 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.2808 CC(=O)NC1=C(Cl)C=C(Br)C=C1Cl C72576 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 W18414 [0,0,1,1,0,0|2,0,0]=4 482 B11R1.167 CC(=O)C1=C(Br)C=CC(C)=C1 24153 [0,0,1,1,0,0|2,0,0]=4 483 B11R2.36 CC1=CC2=C(C=C1)CCC2 Y11729 [1,0,0,1,0,0|1,0,1]=4 484 B11R2.36 CC1=CC2=C(C=C1)SC=C2 F11127 [1,0,0,1,0,0|0,1,1]=4 485 B11R2.36 CC1=CC2=C(C=CS2)C=C1 C73204 [1,0,0,1,0,0|1,1,0]=4 486 B11R2.36 ClC1=CC2=C(C=C1)OCC2 W17536 [1,0,0,1,0,0|1,0,1]=4 487 B11R2.36 ClC1=CC2=C(C=CC2)C=C1 F13902 [1,0,0,1,0,0|2,0,0]=4 488 B11R2.36 FC1=CC2=C(C=C1)OC=C2 F30233 [1,0,0,1,0,0|1,0,1]=4 489 B11R2.36 OC1=CC2=C(C=C1)OC=N2 AC4843 [1,0,0,1,0,0|2,0,0]=4 490 B11R2.36 OC1=CC2=C(C=C1)OCC2 24188 [1,0,0,1,0,0|1,0,1]=4 491 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 30106 [1,0,0,1,0,0|1,0,1]=4 492 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [1,0,0,1,0,0|1,0,0]=3 493 B11R2.10 CC1=NC2=C(C=CN=C2)O1 F13462 [1,0,0,1,0,0|2,0,0]=4 494 B11R2.10 CC1=NC2=CC=CN=C2O1 AC1641 [1,0,0,1,0,0|2,0,0]=4 495 B11R2.10 IC1=CC2=C(C=CC=C2)O1 D83864 [1,0,0,1,0,0|1,0,1]=4 496 B11R2.10 O=C1CC2=C(C=CN=C2)N1 86499 [1,0,0,1,0,0|2,0,0]=4 497 B11R2.10 O=C1CN2C=CC=CC2=N1 78878 [1,0,0,1,0,0|2,0,0]=4 498 B11R2.10 O=C1NC2=C(C=CN=C2)O1 AC6441 [1,0,0,1,0,0|2,0,0]=4 499 B11R2.10 O=C1NC2=C(C=NC=C2)O1 O12039 [1,0,0,1,0,0|2,0,0]=4 500 B11R2.10 O=C1NC2=C(N=CC=C2)O1 O12038 [1,0,0,1,0,0|2,0,0]=4 501 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)C1 91861 [0,0,0,1,0,1|2,0,0]=4 502 B13R2.155 CC1=CC2=C(C=C1)CCC(=O)C2 N10443 [0,0,0,1,0,1|1,0,0]=3 503 B13R2.155 CC1=CC=C2C=CC(C)=CC2=C1 71004 [0,0,0,1,0,1|2,0,0]=4 504 B13R2.155 CC1=CC=C2C=CC(C)=NC2=C1 I11455 [0,0,0,1,0,1|2,0,0]=4 505 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CN1 F53175 [0,0,0,1,0,1|2,0,0]=4 506 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 94666 [0,0,0,1,0,1|2,0,0]=4 507 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 24842 [0,0,0,1,0,1|2,0,0]=4 508 B13R2.155 O=C1NC2=C(C=CC(Cl)=C2)CO1 AC5584 [0,0,0,1,0,1|2,0,0]=4 509 B13R2.2121 CC1=NC2=C(C=C(CO)C=C2)S1 86177 [0,1,0,1,0,0|1,1,0]=4 510 B13R2.2121 CC1=NC2=C(C=CC(CO)=C2)O1 C72464 [0,1,0,1,0,0|1,0,0]=3 511 B13R2.2121 CC1=NC2=C(C=CC(CO)=C2)S1 92513 [0,1,0,1,0,0|1,1,0]=4 512 B13R2.2121 COC1=CC2=C(C=C1)C=C(C)N2 69230 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 O11603 [0,1,0,1,0,0|1,0,1]=4 514 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 35610 [0,1,0,1,0,0|1,1,0]=4 515 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 25963 [0,1,0,1,0,0|2,0,0]=4 516 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=N2 AC6213 [0,1,0,1,0,0|2,0,0]=4 517 B13R2.2121 COC1=CC2=C(C=C1)OC(Cl)=N2 F50763 [0,1,0,1,0,0|2,0,0]=4 518 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)N2 36536 [0,1,0,1,0,0|1,1,0]=4 519 B13R2.2121 NCC1=CC2=C(C=C1)NC(=O)C2 D80888 [0,1,0,1,0,0|1,0,0]=3 520 B13R2.2121 O=C1CC2=C(C=CC(CO)=C2)N1 P12642 [0,1,0,1,0,0|1,0,0]=3 521 B13R2.13083 CC1=CC2=C(C=C1N)N=C(C)S2 A12966 [0,1,0,1,0,0|1,1,0]=4 522 B13R2.13083 CC1=CC2=C(C=C1N)SC(C)=N2 C76174 [0,1,0,1,0,0|1,1,0]=4 523 B13R2.13083 CC1=CC2=C(C=C1O)CC(=O)N2 85915 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.13083 CC1=NC2=CC(C)=C(Br)C=C2S1 D83952 [0,1,0,1,0,0|1,1,0]=4 525 B13R2.13083 NC1=C(F)C=C2CC(=O)NC2=C1 F14440 [0,1,0,1,0,0|2,0,0]=4 526 B13R2.13083 O=C1CC2=CC(Br)=C(Cl)C=C2N1 W10489 [0,1,0,1,0,0|2,0,0]=4 527 B13R2.13083 O=C1CC2=CC(Br)=C(F)C=C2N1 P16121 [0,1,0,1,0,0|2,0,0]=4 528 B13R2.13083 O=C1CC2=CC(I)=C(Cl)C=C2N1 F51291 [0,1,0,1,0,0|2,0,0]=4 529 B13R2.13083 O=C1NC2=CC(Cl)=C(Br)C=C2O1 O11552 [0,1,0,1,0,0|2,0,0]=4 530 B13R2.5190 CC1=CC2=C(C=C1)C(=O)C(=O)N2 30937 [0,1,0,1,0,0|2,0,0]=4 531 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 BL003989 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 28412 [0,1,0,1,0,0|2,0,0]=4 533 B13R2.5190 CN1C(=O)CC2=C1C=CC(O)=C2 72239 [0,1,0,1,0,0|2,0,0]=4 534 B13R2.43 CC1=CC2=C(C=C1)N=C(CO)N2 71346 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.43 CCC1=CC2=C(C=CC(Br)=C2)O1 O11365 [0,1,0,1,0,0|2,0,0]=4 536 B13R2.3028 CC1=CC2=C(C=C1)N=C(N)N2C AC7413 [0,1,0,1,0,0|2,0,0]=4 537 B13R2.3028 CC1=CC2=C(C=C1)OC(=O)N2C W16975 [0,1,0,1,0,0|0,0,0]=2 538 B13R2.3028 CN1C(=O)OC2=C1C=C(Br)C=C2 53498 [0,1,0,1,0,0|1,0,0]=3 539 B13R2.3028 C[C@@H]1C(=O)NC2=C1C=C(Br)C=C2 72257 [0,1,0,1,0,0|2,0,0]=4 540 B13R2.3683 CC1=CC2=C(C=C1)CC(=O)CC2 Y11712 [0,1,0,1,0,0|1,0,0]=3 541 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)OC2 AC6638 [0,1,0,1,0,0|1,0,0]=3 542 B13R2.3683 CC1=CC2=C(C=C1)OC(=O)C=C2 AC7838 [0,1,0,1,0,0|0,0,1]=3 543 B13R2.3683 O=C1C=CC2=C(C=CC(Cl)=C2)O1 AC5388 [0,1,0,1,0,0|1,0,1]=4 544 B13R2.3683 O=C1CC2=C(C=C(Br)C=C2)CN1 55345 [0,1,0,1,0,0|2,0,0]=4 545 B13R2.3683 O=C1CC2=C(C=C(O)C=C2)CN1 AC2180 [0,1,0,1,0,0|2,0,0]=4 546 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)O1 Y10639 [0,1,0,1,0,0|1,0,0]=3 547 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)N1 90198 [0,1,0,1,0,0|2,0,0]=4 548 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 25475 [0,1,0,1,0,0|2,0,0]=4 549 B13R2.3683 O=C1CCC2=C(C=CC(I)=C2)N1 62820 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.3683 O=C1CNC2=C(C=CC(Br)=C2)N1 AC2129 [0,1,0,1,0,0|2,0,0]=4 551 B13R2.3683 O=C1COC2=C(C=CC(I)=C2)N1 69009 [0,1,0,1,0,0|2,0,0]=4 552 B13R2.3683 O=C1NCC2=C(C=CC(Br)=C2)N1 C71976 [0,1,0,1,0,0|2,0,0]=4 553 B13R2.5397 CC1=CC(O)=CC2=C1NC(=O)C2 50026 [0,1,0,1,0,0|2,0,0]=4 554 B13R2.5397 CC1=CC2=C(NC(=O)C2)C(C)=C1 C76321 [0,1,0,1,0,0|1,0,0]=3 555 B13R2.5397 NC1=C2NC(=O)CC2=CC(F)=C1 26920 [0,1,0,1,0,0|2,0,0]=4 556 B13R2.5397 NC1=CC(F)=C2OC(=O)NC2=C1 79371 [0,1,0,1,0,0|2,0,0]=4 557 B13R2.5397 O=C1CC2=CC(F)=CC(Br)=C2N1 P16159 [0,1,0,1,0,0|2,0,0]=4 558 B13R2.5397 O=C1CC2=CC(F)=CC(Cl)=C2N1 P15446 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [1,0,0,0,1,0|2,0,0]=4 560 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [1,0,0,0,1,0|2,0,0]=4 561 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [1,0,0,0,1,0|1,0,1]=4 562 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [1,0,0,0,1,0|2,0,0]=4 563 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [1,0,0,0,1,0|2,0,0]=4 564 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,0,0,0,2,0|1,0,0]=3 565 B9R1.35 CC(=O)C1=CSC(Br)=C1 25953 [0,0,0,0,2,0|2,0,0]=4 566 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,0,0,0,2,0|2,0,0]=4 567 B9R1.35 CC(=O)C1=CSC(Cl)=C1 37629 [0,0,0,0,2,0|2,0,0]=4 568 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,0,0,0,2,0|2,0,0]=4 569 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,0,0,0,2,0|2,0,0]=4 570 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,0,0,0,2,0|2,0,0]=4 571 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [0,0,0,0,2,0|2,0,0]=4 572 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,0,0,0,2,0|2,0,0]=4 573 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,0,0,0,2,0|2,0,0]=4 574 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,0,0,0,2,0|2,0,0]=4 575 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [1,0,0,0,0,1|1,0,0]=3 576 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [1,0,0,0,0,1|1,0,0]=3 577 B11R1.91 O=C(O)COC1=CC=NC=C1 C75738 [1,0,0,0,0,1|2,0,0]=4 578 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [1,0,0,0,0,1|2,0,0]=4 579 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [1,0,0,0,0,1|2,0,0]=4 580 B13R1.513 CC(=O)NCCC1=CC=C(N)C=C1 AB10208 [0,0,0,0,0,2|2,0,0]=4 581 B13R1.513 CC(C)=CCOC1=CC=C(Br)C=C1 F13242 [0,0,0,0,0,2|2,0,0]=4 582 B13R1.513 CC1=CC=C(OCCN(C)C)C=C1 C75405 [0,0,0,0,0,2|2,0,0]=4 583 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 71386 [0,0,0,0,0,2|2,0,0]=4