0 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 N11494 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.20 CC(=O)O[C@@H]1C=CC(=O)CO1 W10954 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.20 CC1=CC=C(CB(O)O)C=C1 F20813 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.20 CC1=CN=C(CC(=O)[O-])C=C1 R10046 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C91526 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y11268 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N10873 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.20 FC1=CC=C(OC(=S)Cl)C=C1 T72468 [0,0,0,0,0,0|2,1,0]=3 10 B11R1.20 FC1=CC=C(OC(F)F)C=C1 F17627 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 28377 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.20 N=C(N)NC1=CC=C(F)C=C1 C16184 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 51818 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.1 CC1=CC=C(C#CBr)C=C1 94424 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.1 CC1=NC=C(\C=C\Br)C=C1 F50214 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.1 O=CNC1=CC=C(F)C=C1 F21300 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.18 CC(=O)NC1=CN=CN=C1 F18145 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [1,0,0,0,0,0|1,0,2]=4 27 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [1,0,0,0,0,0|3,0,0]=4 30 B12R1.4 CC(C)SC1=CC=C(CCl)C=C1 AT20997 [0,1,0,0,0,0|1,1,1]=4 31 B12R1.4 CC(C)SC1=CC=C(CO)C=C1 AT20984 [0,1,0,0,0,0|1,1,1]=4 32 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 S12245 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.4 CSC1=CC=C(OC(F)F)C=C1 W16571 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.4 NNC1=CC=C(CC(N)=O)C=C1 F30826 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.19 CC(=O)NC1=CC(F)=C(C)C=C1 E72199 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.19 CC(=O)NC1=CC(I)=C(C)C=C1 AC7468 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.19 CC(=O)NC1=NC(C)=C(F)C=C1 36635 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.19 CC(=O)NC1=NC(F)=C(I)C=C1 C16589 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.19 CC(=O)OC1=CC(Br)=C(F)C=C1 C11086 [0,1,0,0,0,0|1,0,0]=2 42 B12R1.19 CC1=C(Cl)C=CC(CC(=O)O)=C1 D96291 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.19 CC1=C(F)C=CC(OC(=O)Cl)=C1 FD10709 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.20 CC(=O)C(=O)C1=CC=C(Br)C=C1 H11214 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.20 CC(=O)C(=O)C1=CC=C(C)C=C1 H11218 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Br)C=C1 N15666 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.20 CC(=O)[C@H](N)C1=CC=C(C)C=C1 N15700 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Cl)C=C1 N15653 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.20 CC(=O)[C@H](N)C1=CC=C(F)C=C1 N15652 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.20 CC(=O)[C@H](N)C1=CC=C(N)C=C1 N16145 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.20 CC1=CC=C(C(N)C(C)O)C=C1 N15701 [0,1,0,0,0,0|1,0,2]=4 52 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11713 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.20 CC1=CC=C([C@@H](N)C(C)O)C=C1 N15702 [0,1,0,0,0,0|1,0,2]=4 54 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15703 [0,1,0,0,0,0|1,0,2]=4 55 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15705 [0,1,0,0,0,0|1,0,2]=4 56 B12R1.20 CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15704 [0,1,0,0,0,0|1,0,2]=4 57 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(N)C=C1 AC1408 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.20 C[C@@H](C(N)=O)C1=CC=C(Br)C=C1 AC1413 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.20 NC(=O)[C@H](N)C1=CC=C(F)C=C1 C77553 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N10974 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 AC7645 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Br)C=C1 98573 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 98571 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.20 O=C(O)[C@H](F)C1=CC=C(F)C=C1 98569 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.49 C=CC(=O)NC1=CC=C(C)C=C1 N11698 [0,1,0,0,0,0|1,0,1]=3 66 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78159 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78527 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.49 CCC(=O)CC1=CC=C(Cl)C=C1 N12627 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.49 CCC(=O)CC1=CC=C(I)C=C1 85181 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.49 CC[C@H](N)CC1=CC=C(C)C=C1 N12825 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.49 COC(=O)CC1=CN=C(N)C=C1 D71900 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.49 COC(=O)CC1=NC=C(C)N=C1 C91525 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.49 COC(=O)CC1=NC=C(Cl)C=C1 93630 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.49 C[C@@H](CN)OC1=CC=C(Cl)C=C1 C77969 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.49 C[C@H](C=O)CC1=CC=C(Cl)C=C1 C76805 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.49 C\C(=C/C1=CC=C(F)C=C1)CO F53074 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.49 N#CC(=O)CC1=CC=C(Cl)C=C1 83342 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.49 NCC(=O)CC1=CC=C(F)C=C1 D87535 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.49 NCC(=O)NC1=CC=C(F)C=C1 F21123 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.49 NNC(=O)NC1=CC=C(Br)C=C1 W12874 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 C78062 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.106 CC1=CC=C(C[S@@](C)(=N)=O)C=C1 E72404 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 AC8675 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.106 CS(=O)(=O)NC1=CC=C(Cl)C=C1 D87371 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.106 CS(=O)(=O)OC1=CC=C(F)C=C1 76122 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.106 CS(=O)(=O)OC1=CC=C(S)C=C1 F16829 [0,1,0,0,0,0|2,0,0]=3 87 B12R1.106 CS(C)(=O)=NC1=CC=C(O)C=C1 AT18480 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.106 C[S@](=N)(=O)CC1=CC=C(Br)C=C1 E72408 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.106 O=P(Cl)(Cl)OC1=CC=C(Br)C=C1 F17179 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.233 C=C(C)OC1=C(C)C=C(Cl)C=C1 H11070 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.233 CC(=O)CC1=C(Cl)C=C(F)C=C1 F30166 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.233 CC(=O)CC1=C(F)C=C(Cl)C=C1 96498 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.233 CC(=O)NC1=C(C)C=C(Br)C=C1 C13349 [0,1,0,0,0,0|2,0,0]=3 94 B12R1.233 CC(=O)NC1=C(C)C=C(C)N=C1 F17997 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.233 CC(=O)NC1=C(I)C=C(F)C=C1 AT19905 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.233 CC(=O)NC1=CC=C(Cl)N=C1I F51674 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.233 CC(=O)NC1=CN=C(Br)C=C1C F18384 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.233 CC(=O)NC1=CN=C(Cl)C=C1C D87663 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.233 CC(=O)OC1=C(F)C=C(Br)C=C1 AT14688 [0,1,0,0,0,0|1,0,0]=2 100 B12R1.233 CC(C)OC1=C(Br)C=C(Cl)C=C1 C91609 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.233 CC1=CC(Br)=C(OC(F)F)C=C1 AT15191 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.233 CC1=CC(N)=C(OC(F)F)C=C1 AT12965 [0,1,0,0,0,0|2,0,1]=4 103 B12R2.294 FC1=CC=C(OC2CC2)C=C1 AT21306 [0,0,0,1,0,0|2,0,1]=4 104 B12R2.294 NC1=CC=C(OC2CC2)C=C1 AT11984 [0,0,0,1,0,0|2,0,1]=4 105 B12R2.606 CC1=CC2=C(C=C(Br)C=C2)S1 82307 [0,0,0,1,0,0|2,1,0]=4 106 B12R2.606 CC1=CC2=C(C=C1)N=C(C)O2 AC6304 [0,0,0,1,0,0|1,0,1]=3 107 B12R2.606 CC1=CC2=C(C=C1)NC(=O)O2 AC5672 [0,0,0,1,0,0|2,0,0]=3 108 B12R2.606 CC1=CC2=C(C=C1)SC(=O)N2 O11473 [0,0,0,1,0,0|1,1,0]=3 109 B12R2.606 CC1=CC2=C(C=C1)SC(S)=N2 O11474 [0,0,0,1,0,0|1,2,0]=4 110 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 D78665 [0,0,0,1,0,0|2,0,0]=3 111 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 AC5757 [0,0,0,1,0,0|2,0,0]=3 112 B12R2.606 CC1=CC2=C(N=C1)OC(S)=N2 F51309 [0,0,0,1,0,0|2,1,0]=4 113 B12R2.606 CC1=CN=C2NC(C)=CC2=C1 I10967 [0,0,0,1,0,0|3,0,0]=4 114 B12R2.606 CC1=NC2=C(C=C(F)C=C2)O1 AC5868 [0,0,0,1,0,0|2,0,1]=4 115 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 A12583 [0,0,0,1,0,0|2,0,1]=4 116 B12R2.606 CC1=NC2=C(C=C(O)C=C2)S1 75571 [0,0,0,1,0,0|2,1,0]=4 117 B12R2.606 CC1=NC2=C(C=C1)OC(S)=N2 F51231 [0,0,0,1,0,0|2,1,0]=4 118 B12R2.606 NC1=CC2=C(C=C1)OC(N)=N2 AC6531 [0,0,0,1,0,0|3,0,0]=4 119 B12R2.606 NC1=CC2=C(C=C1)OC(S)=N2 AC5706 [0,0,0,1,0,0|2,1,0]=4 120 B12R2.606 O=C1CC2=C(N=CC(O)=C2)N1 P18372 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.606 O=C1NC2=C(C=CC(F)=C2)S1 C14119 [0,0,0,1,0,0|2,1,0]=4 122 B12R2.606 O=C1NC2=CC(Br)=CN=C2O1 AC2140 [0,0,0,1,0,0|3,0,0]=4 123 B12R2.606 O=C1NC2=CC(Cl)=CN=C2O1 AC3978 [0,0,0,1,0,0|3,0,0]=4 124 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 D77666 [0,0,0,1,0,0|2,0,0]=3 125 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [0,0,0,0,1,0|2,0,0]=3 126 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [0,0,0,0,1,0|2,0,0]=3 127 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [0,0,0,0,1,0|2,0,0]=3 128 B10R1.13 CC1=CN=C(C(=N)N)C=C1 W19131 [0,0,0,0,1,0|3,0,0]=4 129 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [0,0,0,0,1,0|2,0,1]=4 130 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [0,0,0,0,1,0|2,0,0]=3 131 B10R1.13 CC1=NC=C(C(N)=O)C=N1 81927 [0,0,0,0,1,0|3,0,0]=4 132 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [0,0,0,0,1,0|2,0,1]=4 133 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [0,0,0,0,1,0|2,0,1]=4 134 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [0,0,0,0,1,0|3,0,0]=4 135 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [0,0,0,0,1,0|2,0,1]=4 136 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [0,0,0,0,1,0|2,0,1]=4 137 B10R1.54 CC(=O)NC1=CC=C(Br)S1 27544 [0,0,0,0,1,0|3,0,0]=4 138 B10R1.54 CC(=O)NC1=NC(C)=CN1 72448 [0,0,0,0,1,0|3,0,0]=4 139 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 21292 [0,0,0,0,0,1|1,1,0]=3 140 B12R1.21 CC(=O)NCC1=CN=C(Cl)C=C1 F12000 [0,0,0,0,0,1|3,0,0]=4 141 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 D77831 [0,0,0,0,0,1|2,0,0]=3 142 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 C78416 [0,0,0,0,0,1|2,0,1]=4 143 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 C78123 [0,0,0,0,0,1|1,0,1]=3 144 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 H11524 [0,0,0,0,0,1|2,0,0]=3 145 B12R1.21 C[C@H](N)COC1=CC=C(Br)C=C1 C78409 [0,0,0,0,0,1|2,0,1]=4 146 B12R1.21 C[C@H](N)COC1=CC=C(F)C=C1 C77796 [0,0,0,0,0,1|2,0,1]=4 147 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 88302 [0,0,0,0,0,1|2,0,0]=3 148 B12R1.21 O=C(O)C#CC1=CC=C(Br)C=C1 T70657 [0,0,0,0,0,1|3,0,0]=4 149 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [0,0,0,0,0,1|2,1,0]=4 150 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.1 COC1=CN=C(I)C=C1 F17075 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [2,0,0,0,0,0|1,1,0]=4 153 B9R1.8 CNNC1=CC=CC=C1 C77159 [2,0,0,0,0,0|2,0,0]=4 154 B11R1.1 C=CCOC1=CC=C(Br)C=C1 71195 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.1 CC1=CC=C(OCC#N)C=C1 AC7568 [1,1,0,0,0,0|0,0,2]=4 157 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.1 ClC1=CC=C(\C=C\CBr)C=C1 72674 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.1 NC1=CC=C(OCCCl)C=C1 72016 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.1 NC1=CC=C(OCCO)C=C1 F16836 [1,1,0,0,0,0|1,0,1]=4 161 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 AB6809 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 AT26502 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15265 [1,1,0,0,0,0|1,0,1]=4 164 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15266 [1,1,0,0,0,0|1,0,1]=4 165 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15267 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 N12295 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.22 CO[S@@](=O)C1=CC=C(C)C=C1 D92807 [1,1,0,0,0,0|1,1,0]=4 168 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 O10480 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.81 CCCC1=C(O)C=C(C)C=C1 A10895 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.81 CCOC1=C(Br)C=C(C)C=N1 93939 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.81 CCOC1=C(Br)C=C(N)C=C1 N12647 [1,1,0,0,0,0|1,0,1]=4 172 B11R1.81 CCOC1=C(C)C=C(N)C=C1 N12561 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.81 O=CCC1=C(Cl)C=C(Cl)C=C1 C15524 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.83 CCCC1=CC=C(CBr)C=C1 C13395 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.83 CCOC1=CC=C(CCl)C=C1 60965 [1,1,0,0,0,0|0,0,1]=3 176 B11R1.83 CCOC1=CN=C(CO)C=C1 CL0296 [1,1,0,0,0,0|1,0,1]=4 177 B11R1.83 CCSC1=CC=C(CN)C=C1 AT20991 [1,1,0,0,0,0|0,1,1]=4 178 B11R1.192 CCOC1=CC(F)=C(O)C=C1 94989 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.192 CCOC1=CC(N)=C(N)C=C1 34477 [1,1,0,0,0,0|1,0,1]=4 180 B11R1.192 O=CCC1=CC(Cl)=C(Cl)C=C1 25894 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.36 CC(=O)N(C)C1=NC=CC=C1 63680 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 T71089 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.40 CNC(=S)NC1=CC=CC=C1 T72207 [1,1,0,0,0,0|1,1,0]=4 185 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.40 Cl\C=C(\Cl)OC1=CC=CC=C1 W12901 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.40 N#CC(=O)CC1=CC=CC=C1 AC5929 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.40 O=C(CCl)NC1=CN=CC=C1 C78463 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.86 CC(=O)NC1=C(Br)C=CC=N1 F18386 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.86 CC(=O)NC1=C(C)N=CC=C1 F14250 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 D71943 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.86 CC(=O)NC1=C(N)C=CN=C1 C16214 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 F13222 [1,1,0,0,0,0|0,0,0]=2 194 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 81280 [1,1,0,0,0,0|1,1,0]=4 195 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [1,1,0,0,0,0|1,0,0]=3 196 B11R1.157 CC(=O)NC1=CC=CC(Cl)=N1 F17978 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.157 C[S@](=O)CC1=CC(N)=CC=C1 AT15220 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 F19865 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [0,1,0,0,1,0|0,0,0]=2 200 B11R1.3 CC(C)C1=CC=C(CS)C=C1 AT13687 [0,1,0,0,1,0|1,0,1]=4 201 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 F13708 [0,1,0,0,1,0|1,1,0]=4 202 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 N12206 [0,1,0,0,1,0|1,0,1]=4 203 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [0,1,0,0,1,0|1,0,0]=3 204 B11R1.3 CNC1=CN=C(C(=O)O)C=C1 AT13629 [0,1,0,0,1,0|2,0,0]=4 205 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [0,1,0,0,1,0|1,0,0]=3 206 B11R1.3 COC1=CN=C(C(N)=O)C=C1 D74451 [0,1,0,0,1,0|2,0,0]=4 207 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D76956 [0,1,0,0,1,0|1,0,1]=4 208 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 N10959 [0,1,0,0,1,0|1,0,1]=4 209 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20981 [0,1,0,0,1,0|0,0,2]=4 210 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20982 [0,1,0,0,1,0|0,0,2]=4 211 B11R1.3 C[C@H](N)C1=CC=C(CCl)C=C1 96061 [0,1,0,0,1,0|1,0,1]=4 212 B11R1.3 N#[N+]C1=CC=C(C(=O)O)C=C1 A11547 [0,1,0,0,1,0|2,0,0]=4 213 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 10001 [0,1,0,0,1,0|2,0,0]=4 214 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [0,1,0,0,1,0|1,0,0]=3 215 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 F13271 [0,1,0,0,1,0|1,0,1]=4 216 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 95895 [0,1,0,0,1,0|2,0,0]=4 217 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AT17933 [0,1,0,0,1,0|2,0,0]=4 218 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 C14784 [0,1,0,0,1,0|2,0,0]=4 219 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F52062 [0,1,0,0,1,0|2,0,0]=4 220 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 FD1163 [0,1,0,0,1,0|2,0,0]=4 221 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 O10169 [0,1,0,0,1,0|2,0,0]=4 222 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W10983 [0,1,0,0,1,0|2,0,0]=4 223 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13714 [0,1,0,0,1,0|2,0,0]=4 224 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13756 [0,1,0,0,1,0|2,0,0]=4 225 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15718 [0,1,0,0,1,0|2,0,0]=4 226 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15764 [0,1,0,0,1,0|2,0,0]=4 227 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15884 [0,1,0,0,1,0|2,0,0]=4 228 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15911 [0,1,0,0,1,0|2,0,0]=4 229 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W16530 [0,1,0,0,1,0|2,0,0]=4 230 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W16531 [0,1,0,0,1,0|2,0,0]=4 231 B11R1.19 CP(C)(=O)C1=CC=C(F)C=C1 AT21937 [0,1,0,0,1,0|2,0,0]=4 232 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 D77062 [0,1,0,0,1,0|2,0,0]=4 233 B11R1.19 C[S@](=N)(=O)C1=CC=C(Br)C=C1 W13286 [0,1,0,0,1,0|2,0,0]=4 234 B11R1.19 C[S@](=N)(=O)C1=CC=C(Cl)C=C1 AT11346 [0,1,0,0,1,0|2,0,0]=4 235 B11R1.19 C[S@](=N)(=O)C1=CC=C(F)C=C1 W16235 [0,1,0,0,1,0|2,0,0]=4 236 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 69909 [0,1,0,0,1,0|1,0,0]=3 237 B11R1.21 CC1=C(C)C=C([C@H](C)O)C=C1 44393 [0,1,0,0,1,0|0,0,2]=4 238 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11249 [0,1,0,0,1,0|1,0,1]=4 239 B11R1.21 CC1=C(O)C=C([C@H](C)N)C=C1 N14772 [0,1,0,0,1,0|1,0,1]=4 240 B11R1.21 NC(=O)C1=CC(F)=C(O)C=C1 D96313 [0,1,0,0,1,0|2,0,0]=4 241 B11R1.21 NC(=O)C1=CC(N)=C(O)C=C1 D87298 [0,1,0,0,1,0|2,0,0]=4 242 B11R1.21 NC(=O)C1=CC(O)=C(I)C=C1 D77904 [0,1,0,0,1,0|2,0,0]=4 243 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 76037 [0,1,0,0,1,0|2,0,0]=4 244 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=N1 BL010230 [0,1,0,0,1,0|2,0,0]=4 245 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=N1 D79871 [0,1,0,0,1,0|2,0,0]=4 246 B11R1.166 CC(=O)C1=C(Cl)C=C(C)C=C1 AT15339 [0,1,0,0,1,0|0,0,0]=2 247 B11R1.166 CC(=O)C1=C(O)C=C(I)C=C1 62926 [0,1,0,0,1,0|1,0,0]=3 248 B11R1.166 CC(=O)C1=CN=C(Br)C=C1C D80175 [0,1,0,0,1,0|2,0,0]=4 249 B11R1.166 CC(=O)C1=NC=C(Br)C=C1F 83702 [0,1,0,0,1,0|2,0,0]=4 250 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 F13688 [0,1,0,0,1,0|2,0,0]=4 251 B11R1.166 CC1=CC(Br)=C(C(C)C)C=C1 AT26576 [0,1,0,0,1,0|1,0,1]=4 252 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 N12239 [0,1,0,0,1,0|1,0,1]=4 253 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81539 [0,1,0,0,1,0|1,0,1]=4 254 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81617 [0,1,0,0,1,0|1,0,1]=4 255 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 N17088 [0,1,0,0,1,0|2,0,0]=4 256 B11R1.166 CC1=CC(F)=C([C@H](C)O)C=C1 AT15336 [0,1,0,0,1,0|0,0,2]=4 257 B11R1.166 CC1=CC(N)=C(C(=O)O)C=N1 25712 [0,1,0,0,1,0|2,0,0]=4 258 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 N12689 [0,1,0,0,1,0|2,0,0]=4 259 B11R1.166 NC1=CC(I)=C(C(=O)O)C=C1 D87628 [0,1,0,0,1,0|2,0,0]=4 260 B11R1.166 O=C(Cl)C1=C(Br)C=C(F)C=C1 F17471 [0,1,0,0,1,0|2,0,0]=4 261 B11R1.166 O=C(O)C1=C(S)C=C(Br)C=C1 AT20781 [0,1,0,0,1,0|2,0,0]=4 262 B11R1.166 O=C(O)C1=C(S)C=C(F)C=C1 AT20779 [0,1,0,0,1,0|2,0,0]=4 263 B11R1.39 COC(=O)CC1=CC=C(C)S1 94300 [0,1,0,0,1,0|2,0,0]=4 264 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 98172 [0,1,0,0,0,1|1,0,1]=4 265 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 F16131 [0,1,0,0,0,1|2,0,0]=4 266 B13R1.3 COC1=CC=C(OC[C@H](C)N)C=C1 C78551 [0,1,0,0,0,1|1,0,1]=4 267 B13R1.3 O=C(O)\C=C\C1=CC=C(CO)C=C1 44458 [0,1,0,0,0,1|2,0,0]=4 268 B13R1.14 COC(=O)C#CC1=CC=C(Br)C=C1 AT20430 [0,1,0,0,0,1|2,0,0]=4 269 B13R1.14 COC(=O)C#CC1=CC=C(Cl)C=C1 T72904 [0,1,0,0,0,1|2,0,0]=4 270 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C77100 [0,1,0,0,0,1|2,0,0]=4 271 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 Y11148 [0,1,0,0,0,1|2,0,0]=4 272 B13R1.14 NCC(=O)NCC1=CC=C(F)C=C1 F21194 [0,1,0,0,0,1|2,0,0]=4 273 B13R1.133 CC1=CC=C(CC(=O)C(=O)O)C=C1 C91147 [0,1,0,0,0,1|2,0,0]=4 274 B13R1.133 CC1=CC=C(N[C@@H](F)C(=O)O)C=C1 98130 [0,1,0,0,0,1|2,0,0]=4 275 B13R1.133 C[C@H](OC1=CC=C(Br)C=C1)C(=O)O A50593 [0,1,0,0,0,1|2,0,0]=4 276 B13R1.164 CC1=C(OCC(=O)O)C=CC(F)=C1 Y10252 [0,1,0,0,0,1|2,0,0]=4 277 B13R1.164 CC1=CC(C)=C(SCC(=O)O)C=C1 AT20937 [0,1,0,0,0,1|1,1,0]=4 278 B13R1.164 CC1=CC(Cl)=C(CCC(=O)O)C=C1 F52923 [0,1,0,0,0,1|2,0,0]=4 279 B13R1.164 O=C(O)COC1=C(Cl)C=C(O)C=C1 CL4127 [0,1,0,0,0,1|2,0,0]=4 280 B13R1.164 O=C(O)COC1=C(F)C=C(F)C=C1 A12491 [0,1,0,0,0,1|2,0,0]=4 281 B13R1.511 CC(=O)CCC1=CC(Cl)=C(Cl)C=C1 W12660 [0,1,0,0,0,1|2,0,0]=4 282 B13R1.5 C=CC1=CC=C(CC(=O)OC)C=C1 AC6495 [0,2,0,0,0,0|1,0,1]=4 283 B13R1.5 COC(=O)CC1=CC=C(CCl)C=C1 A50735 [0,2,0,0,0,0|1,0,0]=3 284 B13R1.5 COC1=CC=C(\C=C(/C)C=O)C=C1 F15127 [0,2,0,0,0,0|1,0,0]=3 285 B13R1.35 COC1=C(Br)C=C(NC(C)=O)C=C1 96535 [0,2,0,0,0,0|1,0,0]=3 286 B13R1.36 C=C(C)C(=O)C1=CC=C(CC)C=C1 AC9609 [0,2,0,0,0,0|2,0,0]=4 287 B13R1.36 CCC1=CC=C([C@@H](C)C(=O)O)C=C1 43958 [0,2,0,0,0,0|2,0,0]=4 288 B13R1.36 CCC1=CC=C([C@@H](N)C(=O)O)C=C1 N15201 [0,2,0,0,0,0|2,0,0]=4 289 B13R1.36 CCC1=CC=C([C@@H](N)C(=O)O)C=C1 N15212 [0,2,0,0,0,0|2,0,0]=4 290 B13R1.36 CCC1=CC=C([C@@H](N)C(C)=O)C=C1 N15713 [0,2,0,0,0,0|1,0,0]=3 291 B13R1.36 COC1=CC=C([C@@H](N)C(C)=O)C=C1 N15667 [0,2,0,0,0,0|1,0,0]=3 292 B13R1.36 CSC1=CC=C([C@@H](N)C(C)=O)C=C1 N15685 [0,2,0,0,0,0|1,0,0]=3 293 B13R1.142 CC(=O)NC1=CC=C(CCN)C=C1 AB10067 [0,2,0,0,0,0|1,0,0]=3 294 B13R1.142 CC(C)OC1=CC=C(CCN)C=C1 AC6363 [0,2,0,0,0,0|1,0,1]=4 295 B13R1.142 N#CCC1=CC=C(CC(N)=O)C=C1 T71510 [0,2,0,0,0,0|2,0,0]=4 296 B13R1.585 CC(=O)C1=CC=C(OC(C)C)C=C1 C78209 [0,2,0,0,0,0|1,0,1]=4 297 B13R1.585 CC(C)OC1=CC=C([C@H](C)N)C=C1 N12556 [0,2,0,0,0,0|1,0,1]=4 298 B13R1.653 CC(C)OC1=C(Cl)C=C(CO)C=C1 N12654 [0,2,0,0,0,0|1,0,1]=4 299 B13R1.653 COC1=CC(C)=C(CC(C)=O)C=C1 70274 [0,2,0,0,0,0|1,0,0]=3 300 B13R1.510 CC(=O)[C@H](N)C1=CC(C)=C(C)C=C1 N15990 [0,2,0,0,0,0|1,0,0]=3 301 B13R1.510 CC(=O)[C@H](N)C1=CC(C)=C(Cl)C=C1 N16203 [0,2,0,0,0,0|2,0,0]=4 302 B13R1.510 CC(=O)[C@H](N)C1=CC(C)=C(F)C=C1 N16250 [0,2,0,0,0,0|2,0,0]=4 303 B13R1.510 CC(=O)[C@H](N)C1=CC(Cl)=C(C)C=C1 N16216 [0,2,0,0,0,0|1,0,0]=3 304 B13R1.510 CC(=O)[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N15838 [0,2,0,0,0,0|2,0,0]=4 305 B13R1.510 CC(=O)[C@H](N)C1=CC(Cl)=C(F)C=C1 N16032 [0,2,0,0,0,0|2,0,0]=4 306 B13R1.510 CC(=O)[C@H](N)C1=CC(F)=C(C)C=C1 N16264 [0,2,0,0,0,0|1,0,0]=3 307 B13R1.510 CC(=O)[C@H](N)C1=CC(F)=C(Cl)C=C1 N16020 [0,2,0,0,0,0|2,0,0]=4 308 B13R1.510 CC(=O)[C@H](N)C1=CC(F)=C(F)C=C1 N15749 [0,2,0,0,0,0|2,0,0]=4 309 B13R1.510 CC1=C(C)C=C([C@@H](N)C(=O)O)C=C1 AC3237 [0,2,0,0,0,0|2,0,0]=4 310 B13R1.510 CC1=C(O)C=C([C@@H](N)C(=O)O)C=C1 N14773 [0,2,0,0,0,0|2,0,0]=4 311 B13R1.518 CC1=C(N)C=C(NS(C)(=O)=O)C=C1 A12882 [0,2,0,0,0,0|2,0,0]=4 312 B13R1.876 CC(=O)NC1=C(Br)C=C(C)C(C)=C1 F12612 [0,2,0,0,0,0|1,0,0]=3 313 B13R1.876 CC(=O)NC1=C(Br)C=C(C)C(F)=C1 E72200 [0,2,0,0,0,0|1,0,0]=3 314 B13R1.876 CC(=O)NC1=CC(Cl)=C(Cl)C=C1C F18460 [0,2,0,0,0,0|2,0,0]=4 315 B13R1.2879 CCC(=O)NC1=CC(Cl)=C(Cl)C=C1 A12785 [0,2,0,0,0,0|2,0,0]=4 316 B13R1.2879 COC(=O)CC1=CC(Br)=C(N)C=C1 AT20913 [0,2,0,0,0,0|2,0,0]=4 317 B13R1.2879 COC(=O)CC1=CC(C)=C(Br)C=C1 D87560 [0,2,0,0,0,0|2,0,0]=4 318 B13R1.2879 COC(=O)CC1=CC(Cl)=C(Br)C=C1 93734 [0,2,0,0,0,0|2,0,0]=4 319 B13R1.2879 COC(=O)CC1=CC(F)=C(Br)C=C1 93739 [0,2,0,0,0,0|2,0,0]=4 320 B13R1.2879 O=C(CF)NC1=CC(Cl)=C(Cl)C=C1 F20948 [0,2,0,0,0,0|2,0,0]=4 321 B13R1.3528 CC(=O)NC1=C(C)C(C)=C(Br)C=C1 78686 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.3528 CC(=O)NC1=CC=C(F)C(F)=C1F 36955 [0,2,0,0,0,0|2,0,0]=4 323 B13R1.3763 CC(=O)NC1=CC(F)=C(Cl)C(F)=C1 D96233 [0,2,0,0,0,0|2,0,0]=4 324 B13R1.21 CC1=CC=C(C(=O)C(=O)CO)C=C1 A10113 [0,2,0,0,0,0|1,0,0]=3 325 B13R1.21 CN(C(=O)CCl)C1=CC=C(N)C=C1 S11713 [0,2,0,0,0,0|2,0,0]=4 326 B13R1.21 COC(=O)[C@H](Br)C1=CC=C(Br)C=C1 F16838 [0,2,0,0,0,0|2,0,0]=4 327 B13R1.21 COC(=O)[C@H](C)C1=CC=C(Br)C=C1 D75716 [0,2,0,0,0,0|2,0,0]=4 328 B13R1.21 COC(=O)[C@H](C)C1=CC=C(Cl)C=C1 93622 [0,2,0,0,0,0|2,0,0]=4 329 B13R1.21 COC(=O)[C@H](C)C1=CC=C(O)C=C1 AC3345 [0,2,0,0,0,0|2,0,0]=4 330 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Br)C=C1 A12033 [0,2,0,0,0,0|2,0,0]=4 331 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Br)C=C1 I11875 [0,2,0,0,0,0|2,0,0]=4 332 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Br)C=C1 I11878 [0,2,0,0,0,0|2,0,0]=4 333 B13R1.21 COC(=O)[C@H](N)C1=CC=C(C)C=C1 C77613 [0,2,0,0,0,0|1,0,0]=3 334 B13R1.21 COC(=O)[C@H](N)C1=CC=C(C)C=C1 N12612 [0,2,0,0,0,0|1,0,0]=3 335 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Cl)C=C1 N11193 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Cl)C=C1 N14957 [0,2,0,0,0,0|2,0,0]=4 337 B13R1.21 COC(=O)[C@H](N)C1=CC=C(F)C=C1 N12613 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.21 COC(=O)[C@H](N)C1=CC=C(F)C=C1 W10602 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.163 CC(=O)N(C)C1=C(C)C=C(Br)C=C1 96865 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.163 CC(=O)[C@H](N)C1=C(C)C=C(C)C=C1 N16004 [0,2,0,0,0,0|1,0,0]=3 341 B13R1.163 CC(=O)[C@H](N)C1=C(C)C=C(Cl)C=C1 N16202 [0,2,0,0,0,0|2,0,0]=4 342 B13R1.163 CC(=O)[C@H](N)C1=C(C)C=C(F)C=C1 N16251 [0,2,0,0,0,0|2,0,0]=4 343 B13R1.163 CC(=O)[C@H](N)C1=C(Cl)C=C(Cl)C=C1 N15804 [0,2,0,0,0,0|2,0,0]=4 344 B13R1.163 CC(=O)[C@H](N)C1=C(F)C=C(C)C=C1 N16265 [0,2,0,0,0,0|1,0,0]=3 345 B13R1.163 CC(=O)[C@H](N)C1=C(F)C=C(Cl)C=C1 N15778 [0,2,0,0,0,0|2,0,0]=4 346 B13R1.163 CC1=CC(C)=C([C@@H](N)C(=O)O)C=C1 N10887 [0,2,0,0,0,0|2,0,0]=4 347 B13R1.163 CC1=CC(F)=C([C@@H](N)C(=O)O)C=C1 N10906 [0,2,0,0,0,0|2,0,0]=4 348 B13R1.522 CC1=CC=C(C(F)(F)C(=O)O)C=C1 AC3716 [0,2,0,0,0,0|2,0,0]=4 349 B13R1.19 CCCC(=O)CC1=CC=C(Br)C=C1 N14161 [0,2,0,0,0,0|2,0,0]=4 350 B13R1.19 CCCC(=O)CC1=CC=C(C)C=C1 N14169 [0,2,0,0,0,0|1,0,0]=3 351 B13R1.19 CCCC(=O)CC1=CC=C(Cl)C=C1 N14153 [0,2,0,0,0,0|2,0,0]=4 352 B13R1.19 CCCC(=O)CC1=CC=C(F)C=C1 N14143 [0,2,0,0,0,0|2,0,0]=4 353 B13R1.19 N#CCC(=O)CC1=CC=C(Cl)C=C1 93621 [0,2,0,0,0,0|2,0,0]=4 354 B13R1.19 NCCC(=O)NC1=CC=C(F)C=C1 F21222 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.2679 CC1=C(NC(=O)CCl)C=CC(Br)=C1 N16796 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.2679 CC1=C(NC(=O)CCl)C=CC(Cl)=C1 F50777 [0,2,0,0,0,0|2,0,0]=4 357 B13R1.2679 CCC(=O)CC1=C(Cl)C=C(Cl)C=C1 N12604 [0,2,0,0,0,0|2,0,0]=4 358 B13R1.2679 CCC(=O)CC1=C(F)C=C(F)C=C1 N14562 [0,2,0,0,0,0|2,0,0]=4 359 B13R1.2679 CCC(=O)OC1=C(Cl)C=C(Br)C=C1 22825 [0,2,0,0,0,0|1,0,0]=3 360 B13R1.2679 COC(=O)CC1=C(Br)C=C(C)C=C1 D88154 [0,2,0,0,0,0|1,0,0]=3 361 B13R1.51 COC1=C(NC(C)=O)C=CC(N)=C1 W10052 [0,2,0,0,0,0|2,0,0]=4 362 B13R1.2808 CC(=O)CC1=C(Cl)C=C(Cl)C=C1Cl W19668 [0,2,0,0,0,0|2,0,0]=4 363 B11R1.266 C=CC1=CC=CC(C(C)=O)=C1 75088 [0,0,1,1,0,0|1,0,1]=4 364 B11R2.34 CC1=CC=C(C2CC2)C=C1 AC9737 [1,0,0,1,0,0|1,0,1]=4 365 B11R2.36 CC1=CC2=C(C=C1)CNC2 71833 [1,0,0,1,0,0|2,0,0]=4 366 B11R2.36 CC1=CC2=C(C=C1)CNC2 W10108 [1,0,0,1,0,0|2,0,0]=4 367 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 A51024 [1,0,0,1,0,0|1,0,1]=4 368 B11R2.36 NC1=CC2=C(C=C1)OCC2 88994 [1,0,0,1,0,0|1,0,1]=4 369 B11R2.10 CC1=NC2=C(C=NC=C2)O1 A11329 [1,0,0,1,0,0|2,0,0]=4 370 B11R2.10 ClC1=CC2=C(C=CC=C2)O1 AC6512 [1,0,0,1,0,0|1,0,1]=4 371 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [1,0,0,1,0,0|2,0,0]=4 372 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [1,0,0,1,0,0|0,1,0]=3 373 B11R2.10 O=C1CC2=C(C=NC=C2)N1 61718 [1,0,0,1,0,0|2,0,0]=4 374 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)C1 91860 [0,0,0,1,0,1|2,0,0]=4 375 B13R2.147 O=C1C[C@@H](C2=CC=C(F)C=C2)N1 D77336 [0,0,0,1,0,1|2,0,0]=4 376 B13R2.155 CC1=CC=C2OCC(=O)NC2=N1 D87917 [0,0,0,1,0,1|2,0,0]=4 377 B13R2.155 NC1=CC2=C(C=C1)COC(=O)N2 AC2800 [0,0,0,1,0,1|2,0,0]=4 378 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)C1 36498 [0,0,0,1,0,1|1,0,0]=3 379 B13R2.155 O=C1NC2=C(C=CC(F)=C2)CO1 AC4752 [0,0,0,1,0,1|2,0,0]=4 380 B13R2.2121 CC1=CC2=C(C=CC(C#N)=C2)O1 AC4616 [0,1,0,1,0,0|1,0,1]=4 381 B13R2.2121 CC1=NC2=C(C=CC(CN)=C2)O1 54957 [0,1,0,1,0,0|1,0,0]=3 382 B13R2.2121 COC1=CC2=C(C=C1)OC(C)=N2 AC6374 [0,1,0,1,0,0|1,0,0]=3 383 B13R2.2121 N#CC1=CC2=C(C=C1)OC(=O)N2 C15253 [0,1,0,1,0,0|1,0,1]=4 384 B13R2.2121 NCC1=CC2=C(C=C1)NC(=O)C2 95292 [0,1,0,1,0,0|1,0,0]=3 385 B13R2.3050 CC1=NC2=C(C=CC(C)=C2N)S1 O10616 [0,1,0,1,0,0|1,1,0]=4 386 B13R2.13083 CC1=C(Br)C=C2NC(=O)NC2=C1 C16130 [0,1,0,1,0,0|2,0,0]=4 387 B13R2.13083 CC1=C(Cl)C=C2CC(=O)NC2=C1 D86635 [0,1,0,1,0,0|2,0,0]=4 388 B13R2.13083 CC1=C(Cl)C=C2NC(=O)OC2=C1 58462 [0,1,0,1,0,0|2,0,0]=4 389 B13R2.13083 CC1=CC2=NC(=O)N=C2C=C1N 23890 [0,1,0,1,0,0|2,0,0]=4 390 B13R2.13083 O=C1CC2=CC(Cl)=C(Br)C=C2N1 P13430 [0,1,0,1,0,0|2,0,0]=4 391 B13R2.13083 O=C1NC2=CC(Cl)=C(Cl)C=C2O1 D73331 [0,1,0,1,0,0|2,0,0]=4 392 B13R2.13083 O=C1NC2=CC(Cl)=C(O)C=C2O1 C73343 [0,1,0,1,0,0|2,0,0]=4 393 B13R2.43 CC1=CC2=C(C=C1)N=C(CBr)N2 O10509 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.43 CC1=CC2=C(C=C1)N=C(CCl)O2 AC4273 [0,1,0,1,0,0|1,0,1]=4 395 B13R2.43 CC1=CC2=C(C=C1)NC(C=O)=C2 D75515 [0,1,0,1,0,0|1,0,1]=4 396 B13R2.43 CC1=CC2=C(C=C1)NC(CN)=N2 W10142 [0,1,0,1,0,0|2,0,0]=4 397 B13R2.43 ClCC1=NC2=C(C=CC(Br)=C2)O1 AC2936 [0,1,0,1,0,0|2,0,0]=4 398 B13R2.43 ClCC1=NC2=C(C=CC(Cl)=C2)O1 AC6524 [0,1,0,1,0,0|2,0,0]=4 399 B13R2.43 FC1=CC2=C(C=C1)OC(CCl)=N2 AC4274 [0,1,0,1,0,0|2,0,0]=4 400 B13R2.43 NCC1=NC2=C(C=CC(Cl)=C2)O1 AC7347 [0,1,0,1,0,0|2,0,0]=4 401 B13R2.43 NCC1=NC2=C(C=CC(N)=C2)O1 AC4755 [0,1,0,1,0,0|2,0,0]=4 402 B13R2.43 O=CC1=CC2=C(C=CC(F)=C2)O1 98431 [0,1,0,1,0,0|1,0,1]=4 403 B13R2.43 OCC1=CC2=C(C=CC(Br)=C2)O1 D72535 [0,1,0,1,0,0|2,0,0]=4 404 B13R2.43 OCC1=CC2=C(C=CC(Cl)=C2)O1 AC5691 [0,1,0,1,0,0|2,0,0]=4 405 B13R2.43 OCC1=CC2=C(C=CC(F)=C2)O1 98430 [0,1,0,1,0,0|2,0,0]=4 406 B13R2.3028 CC1=CC2=C(C=C1)C[C@H](C)C2=O N12932 [0,1,0,1,0,0|1,0,1]=4 407 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)[C@H]2N W10170 [0,1,0,1,0,0|1,0,0]=3 408 B13R2.3028 CN1C(=O)NC2=C1C=C(F)C=C2 96196 [0,1,0,1,0,0|2,0,0]=4 409 B13R2.3028 C[C@@H]1C(=O)NC2=C1C=C(I)C=C2 F30779 [0,1,0,1,0,0|2,0,0]=4 410 B13R2.3028 C[C@@H]1C(=O)NC2=C1C=C(O)C=C2 71575 [0,1,0,1,0,0|2,0,0]=4 411 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CO2 AC6060 [0,1,0,1,0,0|1,0,0]=3 412 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)N=C2 F15802 [0,1,0,1,0,0|1,0,1]=4 413 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)OC2 AC7323 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.3683 O=C1COC2=C(C=CC(F)=C2)N1 25433 [0,1,0,1,0,0|2,0,0]=4 415 B13R2.3683 O=C1NC2=C(C=C(F)C=C2)CO1 AC4756 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.3683 O=C1NC2=C(C=C(I)C=C2)CO1 AC5099 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.5397 CC1=C2OC(=O)NC2=CC(Cl)=C1 53494 [0,1,0,1,0,0|2,0,0]=4 418 B13R2.5397 CC1=NC2=CC(Cl)=CC(Cl)=C2O1 AC6345 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [1,0,0,0,1,0|2,0,0]=4 420 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [1,0,0,0,1,0|2,0,0]=4 421 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [1,0,0,0,1,0|1,0,0]=3 422 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [1,0,0,0,1,0|1,0,1]=4 423 B9R1.13 CC(=O)CC1=CSC=C1 66590 [1,0,0,0,1,0|2,0,0]=4 424 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [0,0,0,0,2,0|2,0,0]=4 425 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [0,0,0,0,2,0|2,0,0]=4 426 B9R1.35 CC(=O)C1=CN(C)C=N1 AT21668 [0,0,0,0,2,0|2,0,0]=4 427 B9R1.35 CC(=O)C1=NC(C)=CN1 I10088 [0,0,0,0,2,0|2,0,0]=4 428 B9R1.35 CC(=O)N1C=CC(N)=C1 AC4901 [0,0,0,0,2,0|2,0,0]=4 429 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [1,0,0,0,0,1|2,0,0]=4 430 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [1,0,0,0,0,1|1,0,0]=3 431 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [1,0,0,0,0,1|1,0,1]=4 432 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [1,0,0,0,0,1|1,0,1]=4 433 B13R1.513 CC(=O)CCSC1=CC=C(O)C=C1 FD10618 [0,0,0,0,0,2|1,1,0]=4 434 B13R1.513 CC(=O)NCCC1=CC=C(Br)C=C1 F16684 [0,0,0,0,0,2|2,0,0]=4