0 B10R1.66 CN(C)CCC1=NC=CN1 AC8612 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.66 O=C(O)CCN1C=CN=N1 W18328 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.66 O=C(O)COC1=CSC=C1 AT16734 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.66 O=C(O)COC1=NOC=C1 AT19591 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.66 O=C(O)COC1=NSC=C1 AT21062 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.66 O=C(O)CSC1=CC=CS1 AT21321 [0,0,0,0,0,0|2,1,0]=3 6 B10R1.66 O=C(O)CSC1=NC=CS1 AT14881 [0,0,0,0,0,0|3,1,0]=4 7 B9R1.12 CNCCC1=CC=CS1 AT16732 [1,0,0,0,0,0|1,1,0]=3 8 B9R1.12 CNCCC1=CN=CN1 D86292 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.12 ICCCC1=CC=CS1 AC6959 [1,0,0,0,0,0|1,1,1]=4 10 B9R1.12 O=CCCN1C=CC=N1 H11819 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.25 COC(=O)CCC1=CC=CS1 C91137 [0,1,0,0,0,0|0,1,0]=2 12 B11R1.25 NCC(=O)NCC1=CC=CO1 F21191 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.25 NNC(=S)NCC1=CC=CO1 AT23477 [0,1,0,0,0,0|2,1,0]=4 14 B11R1.35 C[C@@H](CC1=CC=CO1)C(=O)O W18641 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.35 NC(=O)[C@@H](N)CC1=CNC=N1 W10599 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A50248 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O 67399 [0,1,0,0,0,0|2,1,0]=4 18 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O 67406 [0,1,0,0,0,0|2,1,0]=4 19 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O A50228 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O A50247 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.35 N[C@@H](CC1=NC=CS1)C(=O)O N13108 [0,1,0,0,0,0|2,1,0]=4 22 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O 51851 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O AC5797 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 C14801 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.75 CC(=O)OCC1=CC(C)=NO1 F13005 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.75 CC1=CN(CCC(=O)O)N=C1 F16132 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.75 CC1=NC(CCC(=O)O)=CS1 AT24339 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.75 CC1=NC(CCC(=O)O)=CS1 AT24340 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.75 CC1=NOC(CCC(=O)O)=N1 71824 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.75 O=C(O)CCN1C=C(Cl)C=N1 AT25144 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.75 O=C(O)\C=C\C1=CC=C(Br)O1 F12977 [0,1,0,0,0,0|1,0,2]=4 32 B11R1.77 CC(=O)OC(C)=C1C=CC=C1 W17975 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 D76619 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 N12538 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 N12564 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.77 N[C@@H](CC(=O)O)C1=COC=C1 N16738 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.77 N[C@@H](CC(=O)O)C1=COC=C1 N16739 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.77 N[C@@H](CC(=O)O)C1=COC=C1 N16740 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.77 N[C@@H](CC(=O)O)C1=CSC=C1 N12476 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.77 O=[N+]([O-])C[C@H](O)C1=CC=CO1 AC6290 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.13 CC(=O)CC1=CSC=C1 66590 [0,0,0,0,1,0|2,0,0]=3 42 B9R1.13 CC(=O)CN1C=CC=N1 AT23998 [0,0,0,0,1,0|2,0,0]=3 43 B9R1.13 CC(=O)CN1C=NC=N1 F50411 [0,0,0,0,1,0|3,0,0]=4 44 B9R1.13 CC(=O)CN1N=CC=N1 AT15940 [0,0,0,0,1,0|3,0,0]=4 45 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [0,0,0,0,1,0|0,0,2]=3 46 B9R1.13 NC(=O)CC1=CC=CN1 72456 [0,0,0,0,1,0|2,0,0]=3 47 B9R1.13 O=C(O)CC1=CC=NN1 79593 [0,0,0,0,1,0|3,0,0]=4 48 B9R1.13 O=C(O)CC1=CSC=N1 AC3265 [0,0,0,0,1,0|3,0,0]=4 49 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [0,0,0,0,0,1|1,0,0]=2 50 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [0,0,0,0,0,1|2,0,0]=3 51 B11R1.91 N=C(N)CCC1=NC=CC=C1 C14497 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [0,0,0,0,0,1|2,0,0]=3 53 B11R1.91 NC(=O)CCC1=NC=NC=C1 F13616 [0,0,0,0,0,1|2,0,0]=3 54 B11R1.91 O=C(O)CCC1=NC=CN=C1 N12623 [0,0,0,0,0,1|2,0,0]=3 55 B11R1.91 O=C(O)CSC1=NC=CC=C1 AT20604 [0,0,0,0,0,1|3,0,0]=4 56 B11R1.172 CC(C)=CCCC1=COC=C1 43166 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.172 O=C(O)CNCC1=CC=CO1 W15238 [0,0,0,0,0,1|1,0,0]=2 58 B8R1.8 BrCCC1=CC=CS1 F20027 [2,0,0,0,0,0|1,1,0]=4 59 B8R1.8 O=CCC1=CC=CS1 O10539 [2,0,0,0,0,0|0,1,0]=3 60 B8R1.8 O=CCC1=NC=CS1 D88143 [2,0,0,0,0,0|1,1,0]=4 61 B8R1.8 O=CCC1=NN=CO1 W10330 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.11 C=CC[C@H](N)C1=CC=CO1 N16704 [1,1,0,0,0,0|0,0,1]=3 63 B10R1.11 C=CC[C@H](N)C1=CC=CO1 N16705 [1,1,0,0,0,0|0,0,1]=3 64 B10R1.11 CCCC(=O)C1=CC=CO1 N14287 [1,1,0,0,0,0|0,0,2]=4 65 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16695 [1,1,0,0,0,0|0,0,1]=3 66 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16696 [1,1,0,0,0,0|0,0,1]=3 67 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16697 [1,1,0,0,0,0|0,0,1]=3 68 B10R1.11 CCC[C@H](N)C1=CC=CS1 Y14857 [1,1,0,0,0,0|0,1,1]=4 69 B10R1.11 COCC(=O)C1=CC=CO1 AT17460 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N13126 [1,1,0,0,0,0|0,0,2]=4 71 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16710 [1,1,0,0,0,0|0,0,2]=4 72 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16711 [1,1,0,0,0,0|0,0,2]=4 73 B10R1.16 COCCC1=CC(N)=NO1 AT19801 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.21 OCCNCC1=CC=CO1 F16080 [1,1,0,0,0,0|0,0,2]=4 75 B10R1.23 CC(=O)C(=O)C1=CC=CS1 H11148 [0,1,0,0,1,0|0,1,1]=4 76 B10R1.23 CC(C)[C@H](N)C1=CC=CO1 N16714 [0,1,0,0,1,0|1,0,1]=4 77 B10R1.23 CC(O)C(N)C1=CC=CO1 N16789 [0,1,0,0,1,0|0,0,2]=4 78 B10R1.23 C[C@@H](C(=O)O)C1=CC=CO1 AT17464 [0,1,0,0,1,0|1,0,0]=3 79 B10R1.23 C[C@@H](C(=O)O)C1=CC=CS1 AT16728 [0,1,0,0,1,0|1,1,0]=4 80 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16786 [0,1,0,0,1,0|0,0,2]=4 81 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16788 [0,1,0,0,1,0|0,0,2]=4 82 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16785 [0,1,0,0,1,0|0,0,2]=4 83 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16787 [0,1,0,0,1,0|0,0,2]=4 84 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 38266 [0,1,0,0,1,0|1,1,0]=4 85 B10R1.54 CC(=O)NC1=CC=C(Br)S1 27544 [0,1,0,0,1,0|1,1,0]=4 86 B10R1.54 O=C(Cl)CC1=CC=C(Br)S1 AC8730 [0,1,0,0,1,0|1,1,0]=4 87 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 21292 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.21 CC(=O)NCC1=CN=C(Cl)C=C1 F12000 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.21 CC(=O)NCC1=CN=C(Cl)C=N1 D79921 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 O10876 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 W16385 [0,1,0,0,0,1|1,0,1]=4 92 B12R1.27 COC(=O)CCC1=NC=CN=C1 C15360 [0,1,0,0,0,1|1,0,0]=3 93 B12R1.27 COC(=O)CCC1=NC=NC=C1 F14178 [0,1,0,0,0,1|1,0,0]=3 94 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O N12543 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.43 N[C@H]([13CH2]C1=CC=CC=C1)C(=O)O D99537 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.43 O=C(O)[C@@H](O)CC1=CN=CC=C1 AT17758 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O 41399 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 F50499 [0,1,0,0,0,1|1,0,1]=4 99 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 N12985 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 50989 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.125 CC(=O)SCC1=C(Cl)C=CC=C1 W11173 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.125 NC1=C(CCC(=O)O)C=CC=C1 F52868 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 F20007 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.226 NC(=O)CCC1=CC=CC(Cl)=C1 D87293 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.226 O=C(O)CCC1=CC(Br)=CN=C1 F30870 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.890 CS(=O)(=O)OCCC1=CC=CO1 W10645 [0,1,0,0,0,1|1,0,0]=3 107 B12R1.15 COC(=O)CC(=O)C1=CC=CS1 84769 [0,2,0,0,0,0|0,1,1]=4 108 B12R1.15 COC(=O)C[C@H](N)C1=CC=CO1 N16707 [0,2,0,0,0,0|0,0,0]=2 109 B12R1.15 COC(=O)C[C@H](N)C1=CC=CO1 N16708 [0,2,0,0,0,0|0,0,0]=2 110 B12R1.15 COC(=O)C[C@H](N)C1=CC=CO1 N16709 [0,2,0,0,0,0|0,0,0]=2 111 B12R1.15 COC(=O)C[C@H](N)C1=COC=C1 N16741 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.15 COC(=O)C[C@H](N)C1=COC=C1 N16742 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.15 COC(=O)C[C@H](N)C1=COC=C1 N16743 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.26 COC(=O)CCC1=CC(Br)=NO1 AT24355 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.26 COC(=O)CCC1=CN=C(N)S1 W17130 [0,2,0,0,0,0|1,1,0]=4 116 B12R1.51 CCOC(=O)CCC1=CC=CN1 D87708 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.51 NCCC(=O)NCC1=CC=CO1 F21048 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 N12870 [0,2,0,0,0,0|0,1,0]=3 119 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 AC8660 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.108 COC(=O)[C@@H](N)CC1=CSC=C1 N12857 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.108 COC(=O)[C@@H](O)CN1C=CC=N1 89290 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.353 COC(=O)CCN1SC=CC1=O AC5922 [0,2,0,0,0,0|1,1,0]=4 123 B12R1.104 CC1=CC=C(C[C@H](N)C(=O)O)S1 AC6731 [0,2,0,0,0,0|1,1,0]=4 124 B12R1.104 N[C@@H](CC1=CC=C(Cl)S1)C(=O)O A50381 [0,2,0,0,0,0|1,1,0]=4 125 B12R1.145 CC1=C(C[C@H](N)C(=O)O)SC=C1 A50382 [0,2,0,0,0,0|1,1,0]=4 126 B12R1.103 CC1=CC=C([C@@H](N)CC(=O)O)O1 N12287 [0,2,0,0,0,0|1,0,0]=3 127 B12R1.103 CC1=CC=C([C@@H](N)CC(=O)O)O1 N16774 [0,2,0,0,0,0|1,0,0]=3 128 B12R1.103 CC1=CC=C([C@@H](N)CC(=O)O)O1 N16776 [0,2,0,0,0,0|1,0,0]=3 129 B12R1.103 CC1=CC=C([C@@H](N)CC(=O)O)S1 AC7487 [0,2,0,0,0,0|1,1,0]=4 130 B12R1.103 N[C@@H](CC(=O)O)C1=CC=C(Br)O1 N12416 [0,2,0,0,0,0|1,0,0]=3 131 B12R1.103 N[C@@H](CC(=O)O)C1=CC=C(Br)O1 N14881 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.103 N[C@@H](CC(=O)O)C1=CC=C(Br)O1 N14882 [0,2,0,0,0,0|1,0,0]=3 133 B12R1.144 CC1=C([C@@H](N)CC(=O)O)SC=C1 AC6599 [0,2,0,0,0,0|1,1,0]=4 134 B10R2.32 O=C1CCC2=C1C=NN2 D85467 [1,0,0,1,0,0|2,0,0]=4 135 B10R2.32 O=C1CCC2=CNC=C12 F12460 [1,0,0,1,0,0|2,0,0]=4 136 B10R2.32 O=C1NCC2=CC=CN12 F52206 [1,0,0,1,0,0|2,0,0]=4 137 B12R2.22 O=C1CC(C2=CN=CC=C2)C1 F53801 [0,0,0,1,0,1|1,0,0]=3 138 B12R2.22 O=C1C[C@@H](C2=CC=CC=C2)N1 76187 [0,0,0,1,0,1|2,0,0]=4 139 B12R2.24 O=C1CC2=C(C=NC=C2)CN1 86461 [0,0,0,1,0,1|2,0,0]=4 140 B12R2.24 O=C1COC2=C(C=CC=C2)C1 F53084 [0,0,0,1,0,1|2,0,0]=4 141 B12R2.1354 O=C(O)C1CC1C2=CC=CS2 AT22396 [0,0,0,1,0,1|1,1,0]=4 142 B12R2.76 O=C1CC(N2C=C(I)C=N2)C1 AT10982 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.7 CC(=O)C1=CN=CO1 F19037 [0,0,0,0,2,0|1,0,0]=3 144 B8R1.7 CC(=O)C1=COC=N1 AT18593 [0,0,0,0,2,0|2,0,0]=4 145 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,0,0,0,2,0|1,0,1]=4 146 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,0,0,0,2,0|1,0,1]=4 147 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,0,0,0,2,0|1,0,1]=4 148 B8R1.7 NC(=S)C1=CC=CO1 F11945 [0,0,0,0,2,0|1,1,0]=4 149 B8R1.7 O=C([O-])C1=NC=CO1 AT18513 [0,0,0,0,2,0|2,0,0]=4 150 B10R1.17 CCCCC1=CC=CN=N1 O10974 [1,0,0,0,0,1|1,0,1]=4 151 B10R1.17 CNCCC1=CC=CN=C1 C73747 [1,0,0,0,0,1|2,0,0]=4 152 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [1,0,0,0,0,1|2,0,0]=4 153 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,0,0,0,0,1|1,0,0]=3 154 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [1,0,0,0,0,1|2,0,0]=4 155 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [1,0,0,0,0,1|2,0,0]=4 156 B12R1.252 CC(=O)CCCC1=CN=CC=C1 F53170 [0,0,0,0,0,2|1,0,0]=3 157 B12R1.252 NC(=O)CNCC1=CC=CC=C1 F52328 [0,0,0,0,0,2|2,0,0]=4 158 B12R1.252 O=C(O)CCCC1=CN=CC=C1 AT25838 [0,0,0,0,0,2|2,0,0]=4 159 B12R1.252 O=C(O)CCNC1=CC=NC=C1 W15226 [0,0,0,0,0,2|2,0,0]=4 160 B12R1.252 O=C(O)CCNC1=NC=CC=C1 65602 [0,0,0,0,0,2|2,0,0]=4