0 B12R2.24 CC1=CC2=CC=CC=C2C=N1 63496 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.24 NC1=NC2=CC=CC=C2N=N1 D78676 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.24 OC1=NC2=CC=CC=C2N=C1 P50007 [0,0,0,0,0,0|2,0,2]=4 3 B11R2.20 C1=CC=C2N=CC=CC2=C1 D95380 [1,0,0,0,0,0|1,0,2]=4 4 B11R2.20 C1=CC=C2N=CC=CC2=C1 H10805 [1,0,0,0,0,0|1,0,2]=4 5 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O F30116 [0,1,0,0,0,0|1,0,2]=4 6 B13R2.32 O[C@@H]1C2=C(C=CC=C2)CC[C@H]1Br V10227 [0,1,0,0,0,0|2,0,1]=4 7 B13R2.57 NC[C@H]1CNC2=C(C=CC=C2)O1 90257 [0,1,0,0,0,0|2,0,1]=4 8 B13R2.155 CC1=CC2=C(C=C1)CC[C@H](C)N2 VT1240 [0,1,0,0,0,0|2,0,1]=4 9 B13R2.155 N[C@H]1CCC2=C(C=C(O)C=C2)C1 23336 [0,1,0,0,0,0|2,0,1]=4 10 B13R2.155 O=C1COC2=C(C=C(F)C=C2)N1 C10780 [0,1,0,0,0,0|2,0,0]=3 11 B13R2.162 NC1=CC=CC2=C1NC(=O)CO2 25723 [0,1,0,0,0,0|2,0,0]=3 12 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O W10297 [0,1,0,0,0,0|2,0,1]=4 13 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Cl D89502 [0,1,0,0,0,0|0,0,2]=3 14 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O T73087 [0,1,0,0,0,0|0,0,2]=3 15 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CS2 D75547 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.3683 NC1=CC2=C(C=C1)OC(=O)CC2 D78716 [0,1,0,0,0,0|0,0,0]=1 17 B13R2.3683 O=C1CSC2=C(C=CC(Cl)=C2)N1 AT25445 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.17 C=CCOC1=C(C)C=CC=C1 D88409 [0,0,1,0,0,0|3,0,0]=4 19 B11R1.17 O=CCCC1=C(Br)C=CC=C1 29935 [0,0,1,0,0,0|1,0,0]=2 20 B11R1.40 CCN(C)CC1=CC=CC=C1 AB10334 [0,0,1,0,0,0|3,0,0]=4 21 B11R1.40 COC(=O)CC1=CC=NC=C1 31807 [0,0,1,0,0,0|3,0,0]=4 22 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 77458 [0,0,1,0,0,0|2,0,1]=4 23 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98060 [0,0,1,0,0,0|2,0,1]=4 24 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 N12425 [0,0,1,0,0,0|1,0,0]=2 25 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 F13223 [0,0,1,0,0,0|1,0,0]=2 26 B11R1.86 NC(=O)CC1=C(N)C=CC=C1 D78598 [0,0,1,0,0,0|3,0,0]=4 27 B11R1.86 NC(=O)NC1=C(Br)C=CC=C1 H11652 [0,0,1,0,0,0|3,0,0]=4 28 B11R1.86 O=C(Cl)CC1=C(Cl)C=CC=C1 D97686 [0,0,1,0,0,0|3,0,0]=4 29 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 A10511 [0,0,1,0,0,0|3,0,0]=4 30 B11R1.91 C=C(C)OCC1=CC=CC=C1 T70780 [0,0,1,0,0,0|3,0,0]=4 31 B11R1.91 CC(C)=NCC1=CC=CC=C1 92550 [0,0,1,0,0,0|3,0,0]=4 32 B11R1.91 CC(C)CCC1=CC=CC=C1 D91368 [0,0,1,0,0,0|2,0,1]=4 33 B11R1.91 CN(C)CCC1=CC=CC=C1 F12472 [0,0,1,0,0,0|3,0,0]=4 34 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 30788 [0,0,1,0,0,0|2,0,1]=4 35 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 F20201 [0,0,1,0,0,0|2,0,1]=4 36 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97163 [0,0,1,0,0,0|1,0,1]=3 37 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97164 [0,0,1,0,0,0|1,0,1]=3 38 B11R1.91 N=C(N)COC1=CC=CC=C1 29590 [0,0,1,0,0,0|3,0,0]=4 39 B11R1.91 NC(=O)CSC1=CC=CC=C1 97376 [0,0,1,0,0,0|2,0,0]=3 40 B11R1.91 O=C([O-])COC1=CC=CC=C1 D91898 [0,0,1,0,0,0|1,0,1]=3 41 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 H10800 [0,0,1,0,0,0|0,0,3]=4 42 B11R2.1 ClC1=NNC2=C1C=CC=C2 H11368 [0,0,0,0,1,0|3,0,0]=4 43 B11R2.1 ClC1=NSC2=C1C=CC=C2 AT19018 [0,0,0,0,1,0|3,0,0]=4 44 B11R2.1 NN1CCC2=C1C=CC=C2 AC7277 [0,0,0,0,1,0|2,0,0]=3 45 B11R2.1 N[C@H]1CCC2=CC=CN=C21 87181 [0,0,0,0,1,0|2,0,1]=4 46 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10935 [0,0,0,0,1,0|2,0,1]=4 47 B11R2.1 O=C1NN=C2C=CC=CN12 F14880 [0,0,0,0,1,0|3,0,0]=4 48 B11R2.1 SC1=CNC2=C1C=CC=C2 H10966 [0,0,0,0,1,0|1,1,1]=4 49 B11R2.10 ClB1OC2=C(C=CC=C2)O1 D89444 [0,0,0,0,1,0|3,0,0]=4 50 B11R2.10 NC1CC2=C(C=CC=C2)C1 75403 [0,0,0,0,1,0|2,0,1]=4 51 B11R2.10 O=C1O[N+]2=C(C=CC=C2)S1 T73044 [0,0,0,0,1,0|2,0,0]=3 52 B10R1.17 C=CCCC1=CC=CC=C1 D91916 [1,0,1,0,0,0|1,0,0]=3 53 B10R1.17 CCC#CC1=CC=CC=C1 D91952 [1,0,1,0,0,0|1,0,1]=4 54 B10R1.4 C=CCC1=C(C)C=CC=C1 D97323 [1,0,1,0,0,0|1,0,1]=4 55 B10R1.4 C=CCC1=C(N)C=CC=C1 D88543 [1,0,1,0,0,0|1,0,1]=4 56 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [1,0,1,0,0,0|0,0,1]=3 57 B10R1.4 CCOC1=C(Cl)C=CC=C1 D89218 [1,0,1,0,0,0|1,0,1]=4 58 B10R1.4 CCOC1=C(N)C=CC=C1 D91895 [1,0,1,0,0,0|1,0,1]=4 59 B10R1.4 NCCC1=C(N)C=CC=C1 51438 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.4 O=CNC1=C(Br)C=CC=C1 W12508 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.4 OC1=C(CCBr)C=CC=C1 C78317 [1,0,1,0,0,0|1,0,0]=3 62 B10R1.20 CCC1=C(CC)C=CC=C1 60317 [1,0,1,0,0,0|1,0,1]=4 63 B10R1.20 CCC1=C(OC)C=CC=C1 D90534 [1,0,1,0,0,0|0,0,1]=3 64 B12R1.121 COC1=C(CCCN)C=CC=C1 FD10626 [0,1,1,0,0,0|1,0,1]=4 65 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 C78433 [0,1,1,0,0,0|2,0,0]=4 66 B12R1.125 CC1=C(SCC(=O)O)C=CC=C1 AT20928 [0,1,1,0,0,0|2,0,0]=4 67 B12R1.125 NC1=C(SCC(=O)O)C=CC=C1 AT20950 [0,1,1,0,0,0|2,0,0]=4 68 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 A50576 [0,1,1,0,0,0|2,0,0]=4 69 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 AT23402 [0,1,1,0,0,0|1,0,0]=3 70 B12R1.32 CNCC(=O)NC1=CC=CC=C1 L10077 [0,1,1,0,0,0|1,0,0]=3 71 B12R1.32 CSCC(=O)NC1=CC=CC=C1 L10078 [0,1,1,0,0,0|1,0,0]=3 72 B12R1.34 CNC(=O)C(=O)C1=CC=CC=C1 E72128 [0,1,1,0,0,0|2,0,0]=4 73 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 D88734 [0,1,1,0,0,0|1,0,0]=3 74 B12R1.43 CC(C)C(=O)NC1=CC=NC=C1 W16281 [0,1,1,0,0,0|2,0,0]=4 75 B12R1.43 CN(C)C(=O)OC1=CN=CC=C1 D87740 [0,1,1,0,0,0|2,0,0]=4 76 B12R1.75 CCC1=C(NC(C)=O)C=CC=C1 78691 [0,1,1,0,0,0|1,0,0]=3 77 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 C12522 [0,1,1,0,0,0|2,0,0]=4 78 B12R1.169 CCOC1=C(CCO)C=CC=C1 C78071 [0,1,1,0,0,0|1,0,1]=4 79 B12R1.127 CC(=O)OC1=C(Cl)C=CC(N)=C1 AC8847 [0,1,1,0,0,0|1,0,0]=3 80 B12R1.127 CC1=CC(CC(=O)Cl)=C(C)C=C1 D90268 [0,1,1,0,0,0|2,0,0]=4 81 B12R1.27 COC(=O)CCC1=CC=NC=C1 AC7192 [0,1,1,0,0,0|1,0,0]=3 82 B12R1.27 NCC(=O)OCC1=CC=CC=C1 H11970 [0,1,1,0,0,0|2,0,0]=4 83 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 D77816 [0,1,1,0,0,0|0,0,0]=2 84 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 N12371 [0,1,1,0,0,0|1,0,0]=3 85 B12R2.1081 FC1=C2CNCCC2=CC=C1 33396 [1,1,0,0,0,0|2,0,0]=4 86 B12R2.1081 NC1=CC=CC2=C1CCNC2 AB10120 [1,1,0,0,0,0|2,0,0]=4 87 B12R2.1081 NC1=CC=CC2=C1OCCO2 D96165 [1,1,0,0,0,0|1,0,1]=4 88 B12R2.1081 OC1=C2CC=CCC2=CC=C1 C15471 [1,1,0,0,0,0|1,0,1]=4 89 B12R2.18 NC1C2=C(C=CC=C2)CC1O 32663 [0,1,0,0,1,0|1,0,1]=4 90 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O D86558 [0,1,0,0,1,0|1,0,1]=4 91 B12R2.18 OC1CC2=C(C=CC=C2)C1O D90171 [0,1,0,0,1,0|0,0,2]=4 92 B12R2.132 CC1=CC2=C(C=C1)CNC2=O 87919 [0,1,0,0,1,0|1,0,0]=3 93 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 N10909 [0,1,0,0,1,0|1,0,1]=4 94 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 D78695 [0,1,0,0,1,0|2,0,0]=4 95 B12R2.132 O=C1NOC2=C1C=C(F)C=C2 26467 [0,1,0,0,1,0|2,0,0]=4 96 B12R2.196 O=C1CCC2=C(I)C=CC=C12 I11158 [0,1,0,0,1,0|0,0,0]=2 97 B12R2.196 O=C1COC2=C(F)C=CC=C12 F13951 [0,1,0,0,1,0|1,0,0]=3 98 B12R2.203 O=C1NCC2=CC=CC(Cl)=C12 Y10069 [0,1,0,0,1,0|1,0,0]=3 99 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 S10466 [0,1,0,0,1,0|1,0,0]=3 100 B12R2.2028 O=C1O[C@@H](Cl)C2=C1C=CC=C2 D86720 [0,1,0,0,1,0|1,0,0]=3 101 B12R2.32 CCC1=CC2=C(C=CC=C2)O1 D97187 [0,1,0,0,1,0|1,0,1]=4 102 B12R2.202 CC1=NC2=C(C=CC=C2N)O1 AC5951 [0,1,0,0,1,0|2,0,0]=4 103 B12R2.202 O=C1NC2=CC=CC(F)=C2O1 AC2178 [0,1,0,0,1,0|1,0,0]=3 104 B12R2.606 FC1=CC2=C(C=C1)N=C(S)O2 AC4312 [0,1,0,0,1,0|1,1,0]=4 105 B12R2.606 NC1=CC2=C(C=C1)N=C(S)O2 51516 [0,1,0,0,1,0|1,1,0]=4 106 B12R2.606 NC1=NC2=C(C=C(F)C=C2)O1 P11628 [0,1,0,0,1,0|2,0,0]=4 107 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 S11541 [0,1,0,0,1,0|1,0,0]=3 108 B12R2.606 O=C1NC2=C(C=C(I)C=C2)O1 D78645 [0,1,0,0,1,0|1,0,0]=3 109 B12R2.606 S=C1NC2=C(C=C(Br)C=C2)O1 C15388 [0,1,0,0,1,0|1,1,0]=4 110 B14R2.4513 CN1C(=O)CCC2=C1C=C(Br)C=C2 E72662 [0,2,0,0,0,0|1,0,0]=3 111 B14R2.4513 CN1C(=O)CCC2=C1C=C(F)C=C2 C91010 [0,2,0,0,0,0|1,0,0]=3 112 B14R2.4513 CN1C(=O)COC2=C1C=C(Br)C=C2 71754 [0,2,0,0,0,0|2,0,0]=4 113 B14R2.8188 N[C@H]1CC2=C(C=CC=C2)N(O)C1=O E72225 [0,2,0,0,0,0|1,0,0]=3 114 B14R2.29369 CN1C(=O)COC2=C1C=CC(Br)=C2 94702 [0,2,0,0,0,0|2,0,0]=4 115 B14R2.781 CC(=O)C1=CC2=C(C=CC=C2)OC1 50454 [0,2,0,0,0,0|2,0,0]=4 116 B14R2.781 O=C(O)[C@@H]1CNC2=C(C=CC=C2)O1 77316 [0,2,0,0,0,0|1,0,1]=4 117 B14R2.8239 C[C@@H]1SC2=C(C=C(Br)C=C2)NC1=O 77182 [0,2,0,0,0,0|2,0,0]=4 118 B14R2.29365 O=C1C=C(O)C2=C(C=C(Br)C=C2)O1 93323 [0,2,0,0,0,0|0,0,2]=4 119 B14R2.29496 CC1(C)C[C@H](N)C2=C(C=CC=C2)O1 AT21150 [0,2,0,0,0,0|1,0,1]=4 120 B14R2.29496 CC1(C)C[C@H](N)C2=C(C=CC=C2)O1 F30127 [0,2,0,0,0,0|1,0,1]=4 121 B14R2.8189 CC1(C)CC(=O)NC2=C1C=CC=C2 86980 [0,2,0,0,0,0|1,0,0]=3 122 B10R1.15 CCN(N)C1=CC=CC=C1 F14622 [0,0,1,0,1,0|2,0,0]=4 123 B10R1.15 CC[C@H](C)C1=CC=CC=C1 N11903 [0,0,1,0,1,0|1,0,1]=4 124 B10R1.15 O=C(CBr)C1=NC=CC=C1 S10662 [0,0,1,0,1,0|2,0,0]=4 125 B10R1.15 O=C(CCl)C1=NC=CC=C1 H11612 [0,0,1,0,1,0|2,0,0]=4 126 B10R1.61 C=C(C)C1=C(C)C=CC=C1 D91121 [0,0,1,0,1,0|1,0,0]=3 127 B10R1.61 CC1=C(N(C)C)C=CC=C1 D89722 [0,0,1,0,1,0|2,0,0]=4 128 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 I10233 [0,0,1,0,1,0|2,0,0]=4 129 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D91263 [0,0,1,0,1,0|2,0,0]=4 130 B10R1.61 O=C([O-])C1=C([S-])C=CC=C1 H10793 [0,0,1,0,1,0|2,0,0]=4 131 B10R1.66 O=C(O)CCC1=CNC=N1 W10218 [0,0,1,0,1,0|2,0,0]=4 132 B10R2.7 C1=CC2=C(C=C1)OC=C2 D88596 [1,0,0,0,1,0|0,0,1]=3 133 B10R2.7 C1=CC2=C(C=C1)[S+]=CS2 D88761 [1,0,0,0,1,0|1,1,0]=4 134 B12R1.252 CC(=O)CSCC1=CC=CC=C1 D85829 [0,0,1,0,0,1|1,0,0]=3 135 B12R1.252 O=C(O)CCCC1=CC=NC=C1 C16278 [0,0,1,0,0,1|1,0,0]=3 136 B12R1.252 O=C(O)CSCC1=CC=CC=C1 52680 [0,0,1,0,0,1|0,0,0]=2