0 B9R1.35 CC(=O)C1=CN=C(Cl)S1 F13142 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 CC(=O)C1=CSC(Br)=C1 25953 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 CC(=O)C1=CSC(Br)=N1 51523 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 CC(=O)C1=CSC(Cl)=C1 37629 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 CC(=O)C1=CSC(N)=N1 35110 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,0,0,0,0,0|2,1,0]=3 12 B9R1.35 CC(=O)C1=NOC(N)=C1 88477 [0,0,0,0,0,0|3,1,0]=4 13 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,0,0,0,0,0|0,0,0]=0 14 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.35 CC1=CN=C(C(=O)[O-])O1 P15538 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.35 CC1=NC(C(N)=O)=CO1 D72598 [0,0,0,0,0,0|2,1,0]=3 19 B9R1.35 CC1=NC(C(N)=O)=CS1 F19208 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.35 CC1=NC(C(N)=S)=CS1 58591 [0,0,0,0,0,0|2,1,0]=3 21 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.35 CC1=NN=C(C(=O)O)S1 I11693 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 CC1=NN=C(C(=O)[O-])S1 I10757 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.35 CC1=NOC(C(=O)[O-])=N1 80103 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.35 CC1=N[C@H](C(=O)[O-])CS1 D97542 [0,0,0,0,0,0|1,0,3]=4 26 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.35 CN1C=CC(C(N)=O)=N1 Y10580 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 CN1C=NC(C(=O)O)=N1 72561 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 C[C@H](O)C1=CSC(Cl)=C1 38491 [0,0,0,0,0,0|2,0,1]=3 30 B9R1.35 NC(=O)C1=CC(Br)=CN1 C73743 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.35 NC(=O)C1=CC(Br)=CO1 C77306 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.35 NC(=O)C1=CC=C(Br)N1 38755 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.35 NC(=O)C1=CC=C(N)S1 C90315 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.35 NC(=O)C1=CN=C(Br)S1 S10763 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.35 NC(=O)C1=COC(Cl)=N1 D94445 [0,0,0,0,0,0|3,1,0]=4 36 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.35 NC1=CNC(C(=O)O)=N1 D94530 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.35 NC1=NC(C(=O)O)=CN1 F14481 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.35 NC1=NC(C(=O)O)=CO1 38367 [0,0,0,0,0,0|2,1,0]=3 40 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.35 O=C(O)C1=CC(Br)=NN1 D80317 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.35 O=C(O)C1=CC(Br)=NO1 69280 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.35 O=C(O)C1=CNC(Cl)=C1 72647 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y10043 [0,0,0,0,0,0|2,1,0]=3 50 B9R1.35 O=C(O)C1=COC(I)=N1 D95450 [0,0,0,0,0,0|2,1,0]=3 51 B9R1.35 O=C(O)C1=CSC(Cl)=C1 24618 [0,0,0,0,0,0|1,0,0]=1 52 B9R1.35 O=C(O)C1=NC=C(Br)S1 FD9045 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.35 O=C(O)C1=NC=C(Cl)S1 P10902 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.35 O=C(O)C1=NNC(Cl)=C1 20415 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.35 O=C(O)C1=NNC(O)=C1 C77021 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.35 O=C(O)C1=NOC(Cl)=C1 D80865 [0,0,0,0,0,0|2,1,0]=3 57 B8R1.1 C#CC1=CSC(C)=N1 32023 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.1 CC1=CC(C=O)=CS1 P15425 [1,0,0,0,0,0|0,0,0]=1 59 B8R1.1 CC1=CC=C(C=O)N1 29847 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.1 CC1=CC=C(CO)S1 W10513 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.1 CC1=CN=C(C=O)S1 25174 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.1 CC1=CNC(C=O)=C1 D84258 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.1 CC1=CNC(C=O)=N1 23109 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.1 CC1=COC(C=O)=N1 P10997 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.1 CC1=NC(C#N)=CS1 24243 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.1 CC1=NC(C=O)=NO1 F13848 [1,0,0,0,0,0|2,1,0]=4 67 B8R1.1 CC1=NC(CBr)=CS1 C76311 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.1 CC1=NC(CO)=CN1 22905 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.1 CC1=NC=C(C=O)O1 C10143 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.1 CC1=NN=C(C=O)N1 AC2083 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.1 CC1=NN=C(C=O)S1 Y10085 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.1 CC1=NNC(CO)=C1 71135 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.1 N#CC1=CSC(Br)=C1 P11152 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.1 N#CC1=CSC(Cl)=C1 37528 [1,0,0,0,0,0|2,0,1]=4 76 B8R1.1 NCC1=CSC(Br)=C1 P11133 [1,0,0,0,0,0|2,0,1]=4 77 B8R1.1 O=CC1=CC(Br)=NO1 69281 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.1 O=CC1=CC=C(Br)N1 O11353 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.1 O=CC1=CC=C(Cl)N1 D95169 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.1 O=CC1=CNC(Br)=C1 F13792 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.1 O=CC1=COC(Br)=N1 AT11059 [1,0,0,0,0,0|2,1,0]=4 83 B8R1.1 O=CC1=CSC(Br)=C1 P10686 [1,0,0,0,0,0|1,0,0]=2 84 B8R1.1 O=CC1=CSC(Cl)=C1 37628 [1,0,0,0,0,0|1,0,0]=2 85 B8R1.1 O=CC1=CSC(Cl)=N1 25211 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.1 OCC1=CSC(Cl)=C1 37630 [1,0,0,0,0,0|1,0,1]=3 87 B8R1.7 CC(=O)C1=CC=NO1 I11392 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.7 CC(=O)C1=CC=NS1 62850 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.7 CC(=O)C1=CN=CS1 66660 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.7 CC(=O)C1=CNN=C1 50308 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.7 CC(=O)C1=NOC=C1 33729 [1,0,0,0,0,0|2,1,0]=4 93 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [1,0,0,0,0,0|2,0,1]=4 94 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [1,0,0,0,0,0|1,0,1]=3 96 B8R1.7 NC(=O)C1=CC=NO1 F30843 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.7 NC(=O)C1=CN=CO1 78451 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.7 NC(=O)C1=CN=CS1 D79735 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.7 NC(=O)C1=COC=N1 35847 [1,0,0,0,0,0|2,1,0]=4 100 B8R1.7 NC(=O)C1=NSC=C1 F14137 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.7 O=C(O)C1=CN=NN1 28556 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.7 O=C(O)C1=CSN=C1 83094 [1,0,0,0,0,0|1,0,0]=2 103 B8R1.7 O=C(O)C1=NNN=C1 O10789 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.7 O=C(O)C1=NOC=N1 AC6968 [1,0,0,0,0,0|2,1,0]=4 105 B8R1.7 O=C(O)C1=NSC=C1 83207 [1,0,0,0,0,0|1,0,0]=2 106 B8R1.7 O=C(O)C1=NSN=C1 F16493 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.7 O=[N+]([O-])C1=CNC=C1 29669 [1,0,0,0,0,0|2,0,1]=4 108 B8R1.7 O=[N+]([O-])C1=CSN=C1 64650 [1,0,0,0,0,0|2,0,1]=4 109 B8R1.7 OB(O)C1=CSC=N1 P19194 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.14 CC1=CC=C(C(=O)NN)O1 79439 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.14 CC1=NC(C(=O)NN)=CO1 D79715 [0,1,0,0,0,0|2,1,0]=4 112 B10R1.14 CC1=NOC(C(=O)CBr)=C1 O10667 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.14 CN1C=C(C(=O)CBr)C=N1 Y10059 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.14 CNC(=O)C1=NOC(C)=C1 C11165 [0,1,0,0,0,0|2,1,0]=4 115 B10R1.14 COC(=O)C1=CC(=O)CC1 24403 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.14 COC(=O)C1=CC(Br)=NO1 69278 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.14 COC(=O)C1=CC(C)=CN1 F53538 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.14 COC(=O)C1=CC(C)=NO1 W10289 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.14 COC(=O)C1=CC(Cl)=CS1 P12968 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.14 COC(=O)C1=CC(F)=CN1 68046 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.14 COC(=O)C1=CC(F)=CS1 F21319 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.14 COC(=O)C1=CC(I)=CN1 80242 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.14 COC(=O)C1=CC(O)=NN1 F30450 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.14 COC(=O)C1=CC=C(Cl)O1 76672 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.14 COC(=O)C1=CC=C(Cl)S1 O11960 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.14 COC(=O)C1=CC=C(I)S1 C76903 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.14 COC(=O)C1=CC=C(N)N1 F14198 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.14 COC(=O)C1=CN(C)C=C1 W18273 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.14 COC(=O)C1=CN(C)N=C1 F17310 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.14 COC(=O)C1=CN(C)N=N1 30681 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.14 COC(=O)C1=CN=C(Br)O1 26636 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.14 COC(=O)C1=CN=C(Cl)O1 24825 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.14 COC(=O)C1=CN=C(N)O1 C77206 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.14 COC(=O)C1=CNC(=O)N1 32398 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.14 COC(=O)C1=CNC(Br)=C1 30522 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.14 COC(=O)C1=CNC(C)=N1 C77526 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.14 COC(=O)C1=COC(Br)=N1 24396 [0,1,0,0,0,0|2,1,0]=4 138 B10R1.14 COC(=O)C1=COC(C)=C1 C15656 [0,1,0,0,0,0|0,1,0]=2 139 B10R1.14 COC(=O)C1=CSC(N)=C1 W15215 [0,1,0,0,0,0|1,0,0]=2 140 B10R1.14 COC(=O)C1=NC(C)=NO1 W16221 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.14 COC(=O)C1=NC(C)=NS1 72369 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.14 COC(=O)C1=NC=C(C)S1 25239 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.14 COC(=O)C1=NN(C)N=C1 31007 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.14 COC(=O)C1=NNC(Cl)=C1 P15511 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.14 COC(=O)C1=NNC(N)=C1 69262 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.14 COC(=O)C1=NNC(O)=C1 64189 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.14 COC(=O)C1=NOC(C)=N1 C90423 [0,1,0,0,0,0|2,1,0]=4 148 B10R1.14 COC(=O)C1=NOC(N)=C1 88479 [0,1,0,0,0,0|2,1,0]=4 149 B10R1.14 COC(=O)C1=NSC(N)=C1 D97206 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.31 CCC1=CC(C(=O)O)=NN1 79051 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.31 CCC1=NC(C(=O)O)=CS1 69872 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.31 CCC1=NC(C(=O)O)=CS1 C73183 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.31 CCN1C=C(C(=O)O)C=N1 30841 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.31 CCN1C=NC(C(=O)O)=C1 AT15392 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.31 COC1=CC=C(C(=O)O)S1 31392 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.31 COC1=CN=C(C(=O)O)O1 C75184 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.31 COC1=NOC(C(C)=O)=C1 98350 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.31 N#CC1=CC=C(C(=O)O)N1 C16499 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.31 N#CC1=CC=C(C(=O)O)O1 N12973 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.31 N#CC1=CC=C(C(=O)O)S1 89049 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.31 N#CC1=COC(C(=O)O)=C1 C72484 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.31 N#CC1=CSC(C(=O)O)=C1 76094 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.31 NC(=O)C1=NNC(CO)=C1 F20188 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.31 O=C(O)C1=CC(CO)=NN1 C72595 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.31 O=C(O)C1=CSC(CO)=N1 W17565 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.31 O=CC1=CC(C(=O)O)=CO1 AT17491 [0,1,0,0,0,0|0,1,1]=3 167 B10R1.31 O=CC1=CC([N+](=O)[O-])=CS1 D83395 [0,1,0,0,0,0|1,0,2]=4 168 B10R1.31 O=CC1=NC=C(C(=O)O)S1 F14409 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 O10304 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 36278 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.58 CC1=C(Br)SC(C(=O)O)=N1 F13815 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.58 CC1=C(C)NC(C(=O)O)=C1 F30544 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.58 CC1=CC(C(=O)O)=CN1C 72960 [0,1,0,0,0,0|1,0,0]=2 174 B10R1.58 CN1N=C(C(=O)O)C=C1Br 80200 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.58 CN1N=C(C(=O)O)C=C1Cl 80334 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.58 CN1N=C(C(=O)O)C=C1N 38065 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.58 O=C(O)C1=CC(Br)=C(Cl)S1 C16067 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.58 O=C(O)C1=CC(Cl)=C(Br)S1 C71923 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)N1 W17455 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 C74181 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 C74185 [0,1,0,0,0,0|2,1,0]=4 182 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 73926 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.59 CC(=O)C1=CC(C)=NN1C 25727 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.59 CC1=C(C(=O)O)C=C(Br)S1 W11336 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.59 CC1=C(C(=O)O)N=C(Br)S1 27125 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 A11936 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.59 CC1=C(C(=O)O)N=C(N)S1 A11196 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 D73863 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.59 CC1=CC(Br)=C(C(=O)O)S1 D95614 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 F16072 [0,1,0,0,0,0|1,1,0]=3 191 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 F52431 [0,1,0,0,0,0|1,0,0]=2 192 B10R1.59 CC1=CC(C(N)=O)=C(N)S1 C75414 [0,1,0,0,0,0|1,0,0]=2 193 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 61000 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.59 CC1=CC([N+](=O)[O-])=C(Br)S1 54562 [0,1,0,0,0,0|1,0,1]=3 195 B10R1.59 CC1=CN(C)N=C1C(=O)O 22968 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.59 CC1=NC(C(=O)O)=C(N)S1 C11013 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.59 CN1C=C(Br)C=C1C(=O)O 26615 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.59 CN1C=C(C(=O)O)C(Br)=N1 F52238 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.59 CN1C=C(C(=O)O)C(I)=N1 D71949 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.59 CN1C=C(C(=O)O)C(N)=N1 54034 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.59 CN1C=C(C(N)=O)C(N)=N1 C76999 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 57638 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.59 CN1C=C(F)C=C1C(=O)O 73060 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.59 CN1C=C(I)C(C(=O)O)=N1 C10776 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.59 CN1C=C(N)C(C(=O)O)=N1 AC1879 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.59 CN1C=C(N)C=C1C(=O)O 84211 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.59 CN1N=C(Br)C=C1C(=O)O C77500 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.59 CN1N=C(Cl)C=C1C(=O)O 66055 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.59 O=C(O)C1=C(Br)C=C(Cl)S1 C10746 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 27825 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.59 O=C(O)C1=C(Cl)C=C(Br)S1 N12995 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.59 O=C(O)C1=C(Cl)C=C(Cl)S1 F16141 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.59 O=C(O)C1=C(Cl)SC(Br)=C1 C10404 [0,1,0,0,0,0|1,0,0]=2 214 B10R1.194 CC(=O)C1=CNC(Br)=C1C S10057 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.194 CC1=C(Br)C(C(N)=O)=NN1 80335 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.194 CC1=C(C(=O)O)C=NN1C 35139 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.194 CC1=C(C(=O)O)N=CN1C C76569 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.194 CC1=C(C(=O)O)NN=C1Br O10964 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 71336 [0,1,0,0,0,0|0,0,0]=1 220 B10R1.194 CC1=CC=C(C(=O)O)N1C D83409 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.194 CC1=CSC(C(=O)O)=C1C C77023 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.194 CC1=NC=C(C(=O)O)N1C F11120 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.194 CC1=NNC(C(=O)O)=C1C 26230 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.194 CC1=NNC(C(=O)O)=C1Cl W19203 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.194 CC1=NNC(C(=O)O)=C1N 76005 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.194 CC1=NSC(C(=O)O)=C1N 76006 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.194 CN1C(Br)=CC=C1C(=O)O 26338 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.194 CN1C(C(=O)O)=CN=C1O W11944 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.194 CN1N=CC(C(=O)O)=C1Br AT10392 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.194 CN1N=CC(C(N)=O)=C1N 29209 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.194 NC1=NNC(C(=O)O)=C1Br I10724 [0,1,0,0,0,0|3,0,0]=4 232 B8R0.9 CCC(C)=CCC(=O)O C75612 [0,0,1,0,0,0|1,0,2]=4 233 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.13 CC(=O)C1=CN=C(O)N=C1 F13147 [0,0,0,0,0,1|3,0,0]=4 235 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [0,0,0,0,0,1|3,0,0]=4 236 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,0,0,0,0,1|2,0,0]=3 237 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,0,0,0,0,1|3,0,0]=4 238 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,0,0,0,0,1|3,0,0]=4 239 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [0,0,0,0,0,1|3,0,0]=4 240 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,0,0,0,0,1|2,0,1]=4 241 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [0,0,0,0,0,1|3,0,0]=4 243 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,0,0,0,0,1|3,0,0]=4 244 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [0,0,0,0,0,1|1,0,0]=2 245 B10R1.13 CC1=CC[C@@H](C(=O)O)CC1 71380 [0,0,0,0,0,1|1,0,2]=4 246 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [0,0,0,0,0,1|2,0,0]=3 247 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,0,0,0,0,1|2,0,1]=4 248 B10R1.13 C[C@@H]1CC=C(C(=O)O)CC1 D79048 [0,0,0,0,0,1|1,0,2]=4 249 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.13 NC(=O)C1=CN=C(O)N=C1 F13438 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.13 NC(=O)C1=NC=C(N)N=C1 W17933 [0,0,0,0,0,1|3,0,0]=4 253 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [0,0,0,0,0,1|2,0,1]=4 254 B10R1.13 NC1=CN=C(C(=O)O)N=C1 P10377 [0,0,0,0,0,1|3,0,0]=4 255 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 F11671 [0,0,0,0,0,1|2,0,0]=3 256 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [0,0,0,0,0,1|2,0,0]=3 257 B10R1.13 O=C(O)C1=NC=C(F)C=N1 38641 [0,0,0,0,0,1|3,0,0]=4 258 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [0,0,0,0,0,1|2,0,0]=3 259 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 P10335 [0,0,0,0,0,1|3,0,0]=4 260 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.13 O=C1N=CC(C(=O)O)=CN1 P13001 [0,0,0,0,0,1|2,0,0]=3 262 B10R1.54 CC1=CN(CC(=O)O)N=C1 I12012 [0,0,0,0,0,1|3,0,0]=4 263 B10R1.54 CC1=NC(CC(=O)O)=NO1 72173 [0,0,0,0,0,1|2,1,0]=4 264 B10R1.54 CC1=NN=C(CC(=O)O)O1 71814 [0,0,0,0,0,1|3,0,0]=4 265 B10R1.54 CC1=NNC(CC(=O)O)=N1 F13045 [0,0,0,0,0,1|3,0,0]=4 266 B10R1.54 CC1=NOC(CC(=O)O)=N1 72406 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.54 CN1C=C(CC(=O)O)C=N1 C77601 [0,0,0,0,0,1|2,0,0]=3 268 B10R1.54 CN1C=C(NC(N)=O)C=N1 W16085 [0,0,0,0,0,1|3,0,0]=4 269 B10R1.54 CN1C=NC(CC(=O)O)=C1 P10612 [0,0,0,0,0,1|3,0,0]=4 270 B10R1.54 CN1C=NC(CC(=O)O)=C1 P16507 [0,0,0,0,0,1|3,0,0]=4 271 B10R1.54 NC1=NC=C(CC(=O)O)S1 38971 [0,0,0,0,0,1|3,0,0]=4 272 B10R1.54 NC1=NNC(CC(=O)O)=C1 52101 [0,0,0,0,0,1|3,0,0]=4 273 B10R1.54 O=C(O)CC1=CC=C(Br)S1 79437 [0,0,0,0,0,1|3,0,0]=4 274 B10R1.54 O=C(O)CC1=CSC(Br)=N1 AT14613 [0,0,0,0,0,1|2,0,0]=3 275 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,0,0,0,0,1|3,0,0]=4 276 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [0,0,0,0,0,1|3,0,0]=4 277 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [0,0,0,0,0,1|3,0,0]=4 278 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [0,0,0,0,0,1|2,0,0]=3 279 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,0,0,0,0,1|3,0,0]=4 280 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,0,0,0,0,1|3,0,0]=4 281 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [0,0,0,0,0,1|3,0,0]=4 282 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [0,0,0,0,0,1|3,0,0]=4 283 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,0,0,0,0,1|3,0,0]=4 284 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [0,0,0,0,0,1|3,0,0]=4 285 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,0,0,0,0,1|3,0,0]=4 286 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,0,0,0,0,1|3,0,0]=4 287 B10R1.113 CC1=CC(C(=N)N)=NC=C1 W12205 [0,0,0,0,0,1|3,0,0]=4 288 B10R1.113 CC1=CC(C(=O)O)=NN=C1 P15424 [0,0,0,0,0,1|2,0,0]=3 289 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,0,0,0,0,1|2,0,1]=4 290 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [0,0,0,0,0,1|3,0,0]=4 291 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [0,0,0,0,0,1|2,0,1]=4 292 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [0,0,0,0,0,1|2,0,1]=4 293 B10R1.113 CC1=CC=NC(C(=O)O)=N1 26974 [0,0,0,0,0,1|2,0,0]=3 294 B10R1.113 CC1=NC=CC(C(N)=O)=C1 F11696 [0,0,0,0,0,1|2,0,0]=3 295 B10R1.113 CN1CCC=C(C(=O)O)C1 O10419 [0,0,0,0,0,1|2,0,1]=4 296 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 41976 [0,0,0,0,0,1|2,0,1]=4 297 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [0,0,0,0,0,1|3,0,0]=4 298 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [0,0,0,0,0,1|3,0,0]=4 299 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [0,0,0,0,0,1|3,0,0]=4 300 B10R1.113 NC(=O)C1=NC=NC(O)=C1 F17317 [0,0,0,0,0,1|3,0,0]=4 301 B10R1.113 NC1=CC(C(=O)O)=CN=N1 P17402 [0,0,0,0,0,1|2,0,0]=3 302 B10R1.113 NC1=CC(C(=O)O)=NC=N1 26498 [0,0,0,0,0,1|2,0,0]=3 303 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [0,0,0,0,0,1|3,0,0]=4 304 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 78664 [0,0,0,0,0,1|3,0,0]=4 305 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=N1 F18835 [0,0,0,0,0,1|3,0,0]=4 306 B10R1.113 O=C(O)C1=CC(S)=NC=C1 77943 [0,0,0,0,0,1|2,0,0]=3 307 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 W17831 [0,0,0,0,0,1|3,0,0]=4 308 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 F19652 [0,0,0,0,0,1|3,0,0]=4 309 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [0,0,0,0,0,1|2,0,0]=3 310 B10R1.113 O=C1C=CNC(C(=O)O)=C1 N13374 [0,0,0,0,0,1|2,0,0]=3 311 B7R0.4 C\C=C/C=C/C(=O)O D86563 [1,0,1,0,0,0|1,0,0]=3 312 B7R0.6 CC(C)=CCC(=O)O 24307 [1,0,1,0,0,0|0,0,2]=4 313 B7R1.1 O=CC1=CC=C[Se]1 T72165 [2,0,0,0,0,0|2,0,0]=4 314 B7R1.1 O=CC1=CC=NS1 62852 [2,0,0,0,0,0|2,0,0]=4 315 B7R1.1 O=CC1=CCC=C1 77835 [2,0,0,0,0,0|1,0,0]=3 316 B7R1.1 O=CC1=CN=CO1 39069 [2,0,0,0,0,0|2,0,0]=4 317 B7R1.1 O=CC1=CON=C1 95893 [2,0,0,0,0,0|1,1,0]=4 318 B7R1.1 O=CC1=NOC=C1 P10400 [2,0,0,0,0,0|1,1,0]=4 319 B7R1.1 OCC1=CSN=C1 83209 [2,0,0,0,0,0|1,0,1]=4 320 B7R1.2 CC1=CC(=O)CO1 Y10351 [2,0,0,0,0,0|0,1,1]=4 321 B7R1.2 CC1=CSC(Br)=C1 C15930 [2,0,0,0,0,0|1,0,1]=4 322 B7R1.2 CC1=CSC(C)=C1 O10605 [2,0,0,0,0,0|0,0,1]=3 323 B7R1.2 CN1C=C(O)C=N1 W16286 [2,0,0,0,0,0|2,0,0]=4 324 B7R1.2 OC1=NSC(Cl)=C1 O11410 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.21 CCC1=NC=C(C=O)N1 AT15333 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.21 CCC1=NC=C(C=O)S1 O10772 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.21 CCC1=NOC(C=O)=C1 D79227 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.21 O=CC1=CC=C(CBr)O1 N16894 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.21 O=CC1=CC=C(CO)N1 O11303 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.21 O=CC1=CSC(C=O)=C1 O12151 [1,1,0,0,0,0|0,0,1]=3 331 B9R1.22 CC1=C(C=O)N=C(N)S1 C75286 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.22 CC1=NC(CO)=C(Br)S1 W18069 [1,1,0,0,0,0|1,0,1]=4 333 B9R1.22 O=CC1=C(Cl)SC(Cl)=C1 26316 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.132 CC1=CNC(C=O)=C1C 39169 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.132 CC1=CSC(C=O)=C1Cl W10338 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.132 CC1=NC=C(C=O)N1C C15385 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.132 CN1N=CC(C=O)=C1Cl F20208 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.11 C#C[C@@H](O)C1=CSC=C1 AC4459 [1,1,0,0,0,0|1,0,1]=4 339 B9R1.11 CCC(=O)C1=COC=C1 N14291 [1,1,0,0,0,0|1,1,0]=4 340 B9R1.11 COC(=O)C1=CC=NS1 62854 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.11 COC(=O)C1=CCSC1 T71209 [1,1,0,0,0,0|0,0,2]=4 342 B9R1.11 COC(=O)C1=COC=N1 22956 [1,1,0,0,0,0|1,1,0]=4 343 B9R1.11 COC(=O)C1=CSN=N1 W15897 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.11 N\C(=N/O)C1=CSC=C1 71291 [1,1,0,0,0,0|1,0,0]=3 345 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.41 CC(=O)C1=C(C)SC=N1 C72473 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.41 CC(=O)C1=CNC=C1C W17613 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [1,1,0,0,0,0|1,0,0]=3 349 B9R1.41 CC1=C(C(=O)O)N=NS1 71555 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.41 NC(=O)C1=C(N)SC=N1 SC3371 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.41 NC(=O)C1=C(N)SN=C1 80982 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.41 O=C(O)C1=C(Br)N=CS1 88253 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.41 O=C(O)C1=C(Br)NC=N1 D86912 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.41 O=C(O)C1=C(Cl)C=NN1 W10253 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.41 O=C(O)C1=C(Cl)C=NS1 S11450 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.41 O=C(O)C1=C(Cl)OC=C1 W18500 [1,1,0,0,0,0|0,1,0]=3 359 B9R1.41 O=C(O)C1=C(Cl)SC=C1 27789 [1,1,0,0,0,0|0,0,0]=2 360 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.41 O=C(O)C1=C(I)SC=C1 A11648 [1,1,0,0,0,0|0,0,0]=2 362 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.41 O=C(O)C1=NNC=C1Cl 24966 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.41 O=C(O)C1=NNC=C1F C91234 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.164 CC1(C)C=C(C(=O)O)C1 37683 [0,1,0,0,1,0|0,0,2]=4 366 B11R1.3 C#CC1=NC=C(C(=O)O)C=C1 P18107 [0,1,0,0,0,1|1,0,1]=4 367 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 S10908 [0,1,0,0,0,1|1,0,0]=3 369 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 W10833 [0,1,0,0,0,1|1,0,0]=3 370 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 69207 [0,1,0,0,0,1|1,0,0]=3 371 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 C80031 [0,1,0,0,0,1|1,0,0]=3 372 B11R1.3 CCC1=NC=C(C(C)=O)C=N1 D81149 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 H10198 [0,1,0,0,0,1|1,0,0]=3 374 B11R1.3 COC1=CN=C(C(=O)O)N=C1 72368 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.3 COC1=NC=C(C(C)=O)C=N1 C71224 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.3 COC1=NN=C(C(=O)O)C=C1 P10767 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.3 N#CC1=CN=C(C(=O)O)C=N1 O11418 [0,1,0,0,0,1|1,0,1]=4 379 B11R1.3 N#CC1=NC=C(C(=O)O)C=N1 38471 [0,1,0,0,0,1|1,0,1]=4 380 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 D82598 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.3 NC(=O)C1=NC=C(CO)N=C1 A10669 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15750 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.3 NCC1=CN=C(C(=O)O)C=C1 N14194 [0,1,0,0,0,1|1,0,0]=3 384 B11R1.3 NCC1=NC=C(C(=O)O)C=C1 51960 [0,1,0,0,0,1|1,0,0]=3 385 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 P18087 [0,1,0,0,0,1|1,0,0]=3 386 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 C75020 [0,1,0,0,0,1|1,0,0]=3 387 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 20480 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 55666 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 63204 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 87616 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 91259 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 C73216 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS3396 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS3405 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 D83842 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F51928 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 H11175 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P18527 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 S11121 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W10985 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13813 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13814 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13829 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 C73283 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.21 CC(=O)C1=CN=C(C)C(C)=C1 D93974 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 C71660 [0,1,0,0,0,1|1,0,0]=3 407 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 C76662 [0,1,0,0,0,1|1,0,0]=3 408 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 O11218 [0,1,0,0,0,1|1,0,0]=3 409 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 C10557 [0,1,0,0,0,1|1,0,0]=3 410 B11R1.21 CC1=C(O)N=C(C(=O)O)C=C1 90209 [0,1,0,0,0,1|1,0,0]=3 411 B11R1.21 CC1=CC(C(=O)O)=CN=C1C D86774 [0,1,0,0,0,1|1,0,0]=3 412 B11R1.21 CC1=CC(C(=O)O)=CNC1=O RB1153 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.21 CC1=CC(C(N)=O)=CN=C1C D93908 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br 87755 [0,1,0,0,0,1|1,0,0]=3 415 B11R1.21 CC1=NC(C(=O)O)=CN=C1Cl 57161 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.21 CC1=NC=C(C(=O)O)C=C1N 38876 [0,1,0,0,0,1|1,0,0]=3 417 B11R1.21 NC1=C(Br)C=NC(C(=O)O)=C1 P12943 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=N1 D83582 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 S10893 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.21 NC1=CC(C(=O)O)=CN=C1N C74383 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br 37237 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 F31188 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 A51162 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=N1 P19208 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 D84788 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 CK2246 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 22742 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 22761 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 31381 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=N1 N13206 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 24357 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 P10667 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 AC2078 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.22 COC(=O)C1=CNC(=O)N=C1 C75373 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.22 COC(=O)C1=CNC(=O)N=C1 F12628 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.22 COC(=O)C1=NC=C(C)C=N1 37740 [0,1,0,0,0,1|2,0,0]=4 439 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 77817 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 79163 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 W18192 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.166 CC1=C(C(=O)O)C=CC(I)=C1 31871 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.166 CC1=C(C(=O)O)C=NC(Cl)=N1 CS1395 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 W11094 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 P12274 [0,1,0,0,0,1|1,0,0]=3 448 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 27738 [0,1,0,0,0,1|1,0,0]=3 449 B11R1.166 CC1=CN=C(C(N)=O)C(=O)N1 W17787 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 Y10097 [0,1,0,0,0,1|1,0,0]=3 451 B11R1.166 CC1=NC(N)=C(C(=O)O)C=N1 F52074 [0,1,0,0,0,1|1,0,0]=3 452 B11R1.166 CC1=NC(N)=C(C(N)=O)C=C1 D83361 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 C16751 [0,1,0,0,0,1|1,0,0]=3 454 B11R1.166 NC1=C(C(=O)O)C=NC(Cl)=N1 N10067 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.166 NC1=C(C(=O)O)N=CC(Cl)=N1 77983 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=N1 I11984 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O 38415 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.166 NC1=CC(F)=NC=C1C(=O)O 37635 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 D95034 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)N=C1 F11789 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 C13381 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 BL010109 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.166 O=C(O)C1=C(Cl)N=C(Br)C=C1 F10539 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.166 O=C(O)C1=C(F)C=C(O)C=N1 D79760 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 RB3340 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.166 O=C(O)C1=CC=C(F)N=C1Br F30561 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.166 O=C(O)C1=CC=C(F)N=C1Cl W16949 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Br F11779 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl F11857 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.166 O=C(O)C1=CN=C(F)C=C1F S10764 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 54575 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.166 O=C(O)C1=NC=C(Cl)NC1=O W17937 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.39 COC(=O)CC1=CN(C)N=C1 P16233 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.39 COC(=O)CC1=CN=C(C)O1 AC2373 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.39 COC(=O)CC1=CSC(Br)=N1 W18539 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.39 COC(=O)CC1=NNC(C)=C1 33650 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.314 CN1C=C([C@@H](N)C(=O)O)C=N1 F51915 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.314 NC1=NC(C(=O)C(=O)O)=CS1 O10456 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.645 CC1=NC(C)=C(CC(=O)O)S1 71321 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.23 CC1=CC(C(=O)NN)=CN=C1 79461 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.23 COC(=O)C1=CC(=O)C=CN1 C77360 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.23 COC(=O)C1=CC(Br)=NC=N1 C71735 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.23 COC(=O)C1=CC(F)=NC=C1 C10485 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.23 COC(=O)C1=NC(C)=NC=C1 90607 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P11578 [0,1,0,0,0,1|1,0,0]=3 487 B11R1.23 COC(=O)C1=NC=NC(N)=C1 39272 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.23 COC(=O)C1=NN=CC(C)=C1 F30429 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.74 CC(=O)C1=CC(C)=CC(Br)=C1 CL9440 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.74 CC(=O)C1=CC(Cl)=NC(C)=C1 90620 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.74 CC(=O)C1=CC(O)=CC(C)=C1 98263 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 N10847 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=N1 D95055 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=N1 90621 [0,1,0,0,0,1|1,0,0]=3 496 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 85554 [0,1,0,0,0,1|1,0,0]=3 497 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 34945 [0,1,0,0,0,1|1,0,0]=3 498 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 96460 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 C73547 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.74 CC1=CC(I)=CC(C(=O)O)=C1 C77507 [0,1,0,0,0,1|1,0,0]=3 501 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 75580 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.74 CC1=NC(Cl)=NC(C(=O)O)=C1 W15432 [0,1,0,0,0,1|1,0,0]=3 503 B11R1.74 NC1=CC(C(=O)O)=CC(Cl)=N1 Y14716 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=N1 O11188 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.74 O=C(O)C1=CC(Br)=NC(F)=C1 70340 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=N1 C71247 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.74 O=C(O)C1=CC(Cl)=NC(O)=C1 RB1152 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=N1 F53706 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.155 CC1=CC(S(=O)(=O)O)=CN=C1 C10904 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 W18414 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O Y10130 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.159 CC1=C(Br)C=NC=C1C(=O)O 82203 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.159 CC1=C(C(=O)O)N=CN=C1Cl 70443 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.159 CC1=C(C)C(C(=O)O)=NC=N1 72793 [0,1,0,0,0,1|1,0,0]=3 515 B11R1.159 CC1=C(N)C(C(=O)O)=NC=C1 D83392 [0,1,0,0,0,1|1,0,0]=3 516 B11R1.159 CC1=NC=CC(C(=O)O)=C1N C90386 [0,1,0,0,0,1|1,0,0]=3 517 B11R1.159 NC1=C(C(=O)O)C=CN=C1Cl 36261 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.159 NC1=C(F)C(C(=O)O)=CC=N1 D83637 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.159 O=C(O)C1=C(Br)C(Br)=NC=C1 W17140 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.159 O=C(O)C1=C(Cl)C(Br)=NC=C1 30916 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.159 O=C(O)C1=CC=CC(O)=C1Cl CL9330 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1Br C13624 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.159 O=C(O)C1=CN=CC(Br)=C1I H10040 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O Y10035 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.159 O=C(O)C1=CNC=C(Br)C1=O O11379 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1F S10232 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.167 CC(=O)C1=C(Br)C=CC(C)=C1 24153 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl D82211 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.167 CC1=C(C(=O)O)C=C(N)C=N1 D94837 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 P18651 [0,1,0,0,0,1|1,0,0]=3 531 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=N1 C71246 [0,1,0,0,0,1|1,0,0]=3 532 B11R1.167 CC1=CC(C(=O)O)=C(F)C=N1 W16972 [0,1,0,0,0,1|1,0,0]=3 533 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 37636 [0,1,0,0,0,1|1,0,0]=3 534 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 C76925 [0,1,0,0,0,1|1,0,0]=3 535 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 C75497 [0,1,0,0,0,1|1,0,0]=3 536 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 O10927 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.167 CC1=CC=C(N)C(C(=O)O)=N1 68795 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 C72632 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 26345 [0,1,0,0,0,1|1,0,0]=3 541 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 C71175 [0,1,0,0,0,1|1,0,0]=3 542 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=C1 Y10194 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=N1 66252 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=C1 P18650 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O I11983 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.167 CC1=NNC(=O)C(C(=O)O)=C1 94812 [0,1,0,0,0,1|1,0,0]=3 547 B11R1.167 CN1C=CC(=O)C=C1C(=O)O W19341 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 F52721 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.167 NC1=CN=C(Cl)C(C(=O)O)=C1 37564 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.167 NC1=CN=C(F)C=C1C(=O)O 71434 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.167 NC1=NC=C(F)C=C1C(=O)O P15966 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.167 O=C(O)C1=C(Br)C=NC(F)=C1 F31180 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.167 O=C(O)C1=C(I)C=CC(O)=C1 69861 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Cl 22950 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1O A10724 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br 24198 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.167 O=C(O)C1=CC(F)=CN=C1F AT10057 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.167 O=C(O)C1=CC(F)=CN=C1O A12916 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.167 O=C(O)C1=CC(O)=CN=C1Cl F13413 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.167 O=C1C=C(C(=O)O)C(Br)=CN1 54617 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.266 C=CC1=CC=CC(C(=O)O)=C1 F16168 [0,1,0,0,0,1|1,0,1]=4 562 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 FD10613 [0,1,0,0,0,1|1,0,0]=3 563 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 C13682 [0,1,0,0,0,1|1,0,0]=3 564 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 O11509 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.266 COC1=CC(C(=O)O)=CN=N1 P13867 [0,1,0,0,0,1|1,0,0]=3 566 B11R1.266 COC1=CC(C(=O)O)=NC=N1 P10129 [0,1,0,0,0,1|1,0,0]=3 567 B11R1.266 COC1=CC(C(C)=O)=NC=C1 52385 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.266 COC1=CN=CC(C(=O)O)=N1 26232 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.266 COC1=NC=CC(C(=O)O)=N1 C76423 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.266 COC1=NC=CC(C(C)=O)=C1 29192 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.266 CSC1=NC(C(=O)O)=CC=N1 24986 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.266 NC(=O)C1=CC(CO)=CC=C1 W12789 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 AB9436 [0,1,0,0,0,1|1,0,0]=3 574 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 A10630 [0,1,0,0,0,1|1,0,0]=3 575 B11R1.266 O=CC1=NC=CC(C(=O)O)=C1 36339 [0,1,0,0,0,1|1,0,1]=4 576 B11R1.15 CCOC(=O)C1=CC(C)=CN1 83098 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.15 CCOC(=O)C1=CC(C)=CS1 H11525 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.15 CCOC(=O)C1=CNC(C)=C1 D76379 [0,2,0,0,0,0|1,0,0]=3 579 B11R1.15 CCOC(=O)C1=CNC(C)=N1 D95741 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.15 CCOC(=O)C1=CNC(Cl)=C1 P20595 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.15 CCOC(=O)C1=CSC(Cl)=C1 Y11383 [0,2,0,0,0,0|1,0,0]=3 582 B11R1.15 CCOC(=O)C1=CSC(F)=N1 AC2296 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.44 COC(=O)C1=CC(CN)=CS1 C77132 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.44 COC(=O)C1=CC(OC)=NO1 W11034 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.44 COC(=O)C1=CC=C(CN)N1 O11942 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.44 COC(=O)C1=CC=C(OC)S1 AC2452 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.44 COC(=O)C1=CSC(C=O)=N1 F16694 [0,2,0,0,0,0|1,0,1]=4 588 B11R1.44 COC(=O)C1=CSC(CN)=N1 72355 [0,2,0,0,0,0|1,0,0]=3 589 B11R1.225 COC(=O)C1=C(Br)C=C(C)S1 24401 [0,2,0,0,0,0|2,0,0]=4 590 B11R1.225 COC(=O)C1=C(Br)SC(C)=C1 71863 [0,2,0,0,0,0|0,0,0]=2 591 B11R1.225 COC(=O)C1=C(Br)SC(Cl)=N1 C73390 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.225 COC(=O)C1=C(C)N=C(C)S1 W18908 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.225 COC(=O)C1=C(Cl)SC(Br)=C1 C71963 [0,2,0,0,0,0|1,0,0]=3 594 B11R1.225 COC(=O)C1=C(Cl)SC(Br)=N1 76610 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.225 COC(=O)C1=C(N)SC(Br)=N1 AT10773 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.225 COC(=O)C1=C(N)SC(Cl)=C1 S10369 [0,2,0,0,0,0|1,0,0]=3 597 B11R1.226 COC(=O)C1=NN(C)C(C)=C1 W18238 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.865 COC(=O)C1=C(Br)C(C)=NN1 F16315 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.865 COC(=O)C1=C(Cl)N(C)N=C1 W15316 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.865 COC(=O)C1=C(I)C(C)=CS1 A12879 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.865 COC(=O)C1=C(N)C(C)=NN1 C72993 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.865 COC(=O)C1=C(N)C(C)=NO1 W11092 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.865 COC(=O)C1=C(N)N(C)N=C1 56701 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.865 COC(=O)C1=NNC(C)=C1C D82973 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.48 CCC1=CC(C(=O)O)=NN1C Y10748 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.48 CCN1N=C(C(=O)O)C=C1C S10907 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.48 COC1=CC(C(=O)O)=NN1C W17522 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.50 COC1=NN(C)C(C(=O)O)=C1 O11026 [0,2,0,0,0,0|2,0,0]=4 609 B11R1.124 COCC1=CNC(C(=O)O)=C1 C72930 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.175 CC(=O)C1=CC(C(=O)O)=NN1 W11729 [0,2,0,0,0,0|2,0,0]=4 611 B11R1.175 CC(=O)C1=CC([N+](=O)[O-])=CS1 O10298 [0,2,0,0,0,0|1,0,1]=4 612 B11R1.175 CC(=O)C1=NC(C(=O)O)=CO1 D81092 [0,2,0,0,0,0|1,1,0]=4 613 B11R1.175 CC(C)C1=CC=C(C(=O)O)N1 C77075 [0,2,0,0,0,0|2,0,0]=4 614 B11R1.175 CC(C)C1=NC(C(=O)O)=CO1 51105 [0,2,0,0,0,0|1,1,0]=4 615 B11R1.175 CC(C)C1=NC(C(=O)O)=CS1 69853 [0,2,0,0,0,0|1,0,0]=3 616 B11R1.175 CC(C)C1=NC=C(C(=O)O)S1 44092 [0,2,0,0,0,0|2,0,0]=4 617 B11R1.175 CN(C)C1=NC=C(C(=O)O)O1 W10797 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.175 O=C(O)C1=CC(C(F)F)=NO1 W18534 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.175 O=C(O)C1=COC(C(=O)O)=C1 71134 [0,2,0,0,0,0|0,1,1]=4 620 B11R1.175 O=C(O)C1=NNC(C(F)F)=C1 P19151 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.672 CC1=C(F)C(C(=O)O)=NN1C W13810 [0,2,0,0,0,0|2,0,0]=4 622 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 25111 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.49 CCC1=NN(C)C=C1C(=O)O 78518 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.49 COC1=NN(C)C=C1C(=O)O 72273 [0,2,0,0,0,0|2,0,0]=4 625 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Cl F30596 [0,2,0,0,0,0|2,0,0]=4 626 B11R1.673 CC1=NN(C)C(Cl)=C1C(=O)O F30593 [0,2,0,0,0,0|2,0,0]=4 627 B7R1.18 O=C(O)C1=CCC1 P16818 [1,0,0,0,1,0|0,0,2]=4 628 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [1,0,0,0,0,1|2,0,0]=4 629 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [1,0,0,0,0,1|2,0,0]=4 630 B9R1.2 CC1=CC(CO)=NC=N1 38642 [1,0,0,0,0,1|1,0,1]=4 631 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [1,0,0,0,0,1|2,0,0]=4 632 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [1,0,0,0,0,1|2,0,0]=4 633 B9R1.2 O=CC1=CC(Br)=NC=N1 D70857 [1,0,0,0,0,1|2,0,0]=4 634 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [1,0,0,0,0,1|2,0,0]=4 635 B9R1.2 O=CC1=NC=NC(O)=C1 82364 [1,0,0,0,0,1|2,0,0]=4 636 B9R1.13 O=C(O)CC1=CC=CN1 29609 [1,0,0,0,0,1|2,0,0]=4 637 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [1,0,0,0,0,1|2,0,0]=4 638 B9R1.13 O=C(O)CC1=CC=NO1 AC1452 [1,0,0,0,0,1|2,0,0]=4 639 B9R1.13 O=C(O)CC1=CCC=C1 78226 [1,0,0,0,0,1|1,0,0]=3 640 B9R1.13 O=C(O)CC1=CN=CS1 P10574 [1,0,0,0,0,1|2,0,0]=4 641 B9R1.13 O=C(O)CC1=CNC=C1 65416 [1,0,0,0,0,1|1,0,0]=3 642 B9R1.13 O=C(O)CC1=CNC=N1 C16158 [1,0,0,0,0,1|2,0,0]=4 643 B9R1.13 O=C(O)CC1=CNN=C1 71976 [1,0,0,0,0,1|2,0,0]=4 644 B9R1.13 O=C(O)CC1=NNC=C1 71426 [1,0,0,0,0,1|2,0,0]=4 645 B9R1.13 O=C(O)CC1=NOC=C1 Y10092 [1,0,0,0,0,1|1,1,0]=4 646 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [0,0,0,0,0,2|2,0,0]=4 647 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,0,0,0,0,2|1,0,0]=3 648 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 F18175 [0,0,0,0,0,2|2,0,0]=4 649 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,0,0,0,0,2|2,0,0]=4 650 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 89138 [0,0,0,0,0,2|2,0,0]=4 651 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 89139 [0,0,0,0,0,2|2,0,0]=4 652 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 P12089 [0,0,0,0,0,2|2,0,0]=4 653 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [0,0,0,0,0,2|2,0,0]=4 654 B11R1.75 CC1=CC(\C=C\C(=O)O)=NO1 W18280 [0,0,0,0,0,2|1,1,0]=4 655 B11R1.75 CC1=CC=C(CCC(=O)O)O1 W18846 [0,0,0,0,0,2|2,0,0]=4 656 B11R1.75 CC1=CC=C(CCC(=O)O)S1 71574 [0,0,0,0,0,2|2,0,0]=4 657 B11R1.75 CC1=CSC(CCC(=O)O)=C1 72711 [0,0,0,0,0,2|2,0,0]=4 658 B11R1.75 CN1C=C(CCC(=O)O)C=N1 71495 [0,0,0,0,0,2|2,0,0]=4 659 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 D80704 [0,0,0,0,0,2|1,0,0]=3 660 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 P17359 [0,0,0,0,0,2|1,0,0]=3 661 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 S10096 [0,0,0,0,0,2|1,0,0]=3 662 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 26369 [0,0,0,0,0,2|2,0,0]=4 663 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 Y11285 [0,0,0,0,0,2|2,0,0]=4 664 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 39149 [0,0,0,0,0,2|2,0,0]=4 665 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 C71755 [0,0,0,0,0,2|2,0,0]=4