0 B8R1.1 BrCC1=CC=C(Br)O1 55253 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.1 BrCC1=CC=C(Br)S1 AC9027 [0,0,0,0,0,0|2,1,1]=4 2 B8R1.1 C#CC1=CC=C(Cl)S1 C14710 [0,0,0,0,0,0|2,1,1]=4 3 B8R1.1 C#CC1=NC(C)=CS1 C74016 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.1 CC1=CC(CN)=CO1 AT17525 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.1 CC1=CC(CO)=CO1 AT17479 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.1 CC1=CC(CO)=CS1 AT16765 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.1 CC1=CN=C(C=O)O1 AT17128 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.1 CC1=CN=C(CCl)O1 AT18576 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.1 CC1=CN=C(CN)O1 P18975 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.1 CC1=CN=C(CN)S1 32702 [0,0,0,0,0,0|2,1,1]=4 11 B8R1.1 CC1=CN=C(CO)N1 P12877 [0,0,0,0,0,0|2,0,2]=4 12 B8R1.1 CC1=CN=C(CO)O1 AT18512 [0,0,0,0,0,0|1,0,2]=3 13 B8R1.1 CC1=COC(C#N)=C1 AT17407 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.1 CC1=COC(CO)=C1 AT17124 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.1 CC1=NC(C#N)=CO1 AT18597 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.1 CC1=NC(CCl)=CN1 AT15569 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.1 CC1=NC(CN)=CN1 AT15472 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.1 CC1=NC(CN)=CO1 C71257 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.1 CC1=NC(CN)=CO1 D83900 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.1 CC1=NC(CN)=CS1 D86402 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.1 CC1=NC=C(CCl)O1 C77476 [0,0,0,0,0,0|2,0,1]=3 22 B8R1.1 CC1=NC=C(CCl)S1 AT15077 [0,0,0,0,0,0|2,1,1]=4 23 B8R1.1 CC1=NC=C(CO)N1 W10507 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.1 CC1=NC=C(CO)O1 F12980 [0,0,0,0,0,0|1,0,2]=3 25 B8R1.1 CC1=NN=C(CBr)O1 AT18780 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.1 CC1=NNC(C=O)=C1 79805 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.1 CC1=NSC(C=O)=C1 C16590 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.1 CCC1=CC=C(S)S1 AT16555 [0,0,0,0,0,0|2,1,1]=4 29 B8R1.1 CCC1=NN(C)C=C1 C91459 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.1 CN1C=C(C=O)N=N1 C77602 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.1 CN1C=CC(CBr)=N1 AT15924 [0,0,0,0,0,0|3,0,1]=4 32 B8R1.1 CN1C=CC(CCl)=N1 AT15950 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.1 CN1C=CC(CN)=C1 AT16243 [0,0,0,0,0,0|3,0,1]=4 34 B8R1.1 CNC1=NN(C)C=C1 AT14076 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.1 COC1=CC=C(Br)S1 N10622 [0,0,0,0,0,0|3,1,0]=4 36 B8R1.1 COC1=NN(C)C=C1 AT24917 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.1 ClC1=CC=C(CBr)S1 AT16577 [0,0,0,0,0,0|2,1,1]=4 38 B8R1.1 ClCC1=CC=C(Br)S1 AT16373 [0,0,0,0,0,0|2,1,1]=4 39 B8R1.1 N#CC1=CC=C(Cl)O1 AT17409 [0,0,0,0,0,0|2,0,1]=3 40 B8R1.1 NCC1=CC=C(Br)O1 79914 [0,0,0,0,0,0|2,0,1]=3 41 B8R1.1 NCC1=CC=C(Br)O1 94512 [0,0,0,0,0,0|2,0,1]=3 42 B8R1.1 NCC1=CC=C(Cl)S1 P19111 [0,0,0,0,0,0|2,1,1]=4 43 B8R1.1 O=C1C=C[C@H](CO)O1 A51108 [0,0,0,0,0,0|1,0,3]=4 44 B8R1.1 O=CC1=CC(Cl)=CO1 50491 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.1 O=CC1=CC(Cl)=CS1 P11080 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.1 O=CC1=CN=C(O)S1 AT14773 [0,0,0,0,0,0|2,1,0]=3 47 B8R1.1 O=CC1=COC(Br)=C1 AT17110 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.1 O=CC1=NC(Cl)=CS1 P12467 [0,0,0,0,0,0|3,0,0]=3 49 B8R1.1 O=CC1=NC=C(I)S1 S10281 [0,0,0,0,0,0|2,1,0]=3 50 B8R1.1 O=CC1=NNC(Br)=C1 F13791 [0,0,0,0,0,0|4,0,0]=4 51 B7R1.1 C=CC1=NC=CS1 C72532 [1,0,0,0,0,0|2,1,0]=4 52 B7R1.1 CCC1=CN=CO1 C77473 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.1 NNC1=CC=CS1 W17128 [1,0,0,0,0,0|2,1,0]=4 54 B7R1.1 O=CC1=CSN=C1 83208 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 O=CC1=CSN=N1 A51062 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.1 OCC1=CC=CN1 AT16114 [1,0,0,0,0,0|1,0,2]=4 57 B7R1.1 SCC1=CC=CS1 T72725 [1,0,0,0,0,0|0,2,1]=4 58 B7R1.2 CC1=CC(Br)=CO1 I11460 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.2 CC1=CC(N)=CS1 27442 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.2 CC1=CC=C(S)S1 AT16550 [1,0,0,0,0,0|0,2,0]=3 61 B7R1.2 CC1=CN=C(C)O1 AC5679 [1,0,0,0,0,0|1,0,1]=3 62 B7R1.2 CC1=CN=C(Cl)O1 AT18559 [1,0,0,0,0,0|2,0,0]=3 63 B7R1.2 CC1=CN=C(N)N1 27977 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.2 CC1=COC(Br)=N1 AT18461 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.2 CC1=COC(Cl)=N1 A51023 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.2 CC1=CSC(N)=C1 N12877 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.2 CC1=CSC(N)=C1 S11464 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.2 CC1=CSC(S)=C1 AT16548 [1,0,0,0,0,0|2,1,0]=4 69 B7R1.2 CC1=NC(N)=CS1 AC2762 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.2 CC1=NC=C(Br)O1 AT18670 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.2 CC1=NC=C(Cl)S1 AT15021 [1,0,0,0,0,0|2,1,0]=4 72 B7R1.2 CC1=NC=C(N)S1 D85841 [1,0,0,0,0,0|2,1,0]=4 73 B7R1.2 CC1=NN=C(Cl)O1 AT18769 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.2 CC1=NN=C(I)O1 AT18781 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.2 CN1C=CC(N)=C1 77871 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.2 CN1C=NC(=O)N1 AT21263 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [1,0,0,0,0,0|1,0,2]=4 78 B7R1.2 ClC1=CC=C(I)S1 C74472 [1,0,0,0,0,0|2,1,0]=4 79 B7R1.2 NC1=CC=C(Cl)S1 D87671 [1,0,0,0,0,0|2,1,0]=4 80 B7R1.2 O=C1C=C[C@@H](O)C1 86326 [1,0,0,0,0,0|2,0,1]=4 81 B7R1.2 O=C1NC(O)=CS1 D73417 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.2 [2H]C1=CC=C([2H])S1 D99575 [1,0,0,0,0,0|2,1,0]=4 83 B9R1.7 CC1=CC=C(CCN)S1 31616 [0,1,0,0,0,0|1,1,1]=4 84 B9R1.7 CC1=NC=C(CC#N)O1 AT18729 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.7 CNCC1=CC=C(C)S1 75578 [0,1,0,0,0,0|1,1,1]=4 86 B9R1.21 C=CC1=NN(CC)C=C1 C92834 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.21 CCC1=CN=C(CCl)O1 AT18577 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.21 CCC1=NC(C=O)=CS1 AT15240 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.21 CCC1=NN=C(C=O)S1 AT18981 [0,1,0,0,0,0|2,1,0]=4 90 B9R1.21 CCN1C=CC(C=O)=C1 AT16331 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.21 CCN1C=CC(C=O)=N1 F14621 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.21 COC1=CC=C(C=O)O1 AT17092 [0,1,0,0,0,0|0,0,0]=1 93 B9R1.21 COC1=CC=C(C=O)S1 F53534 [0,1,0,0,0,0|0,1,0]=2 94 B9R1.21 COC1=NC(C=O)=CS1 AT15252 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.21 COC1=NSC(C=O)=C1 AT11785 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.21 CSC1=CC=C(C#N)S1 AT16707 [0,1,0,0,0,0|1,1,1]=4 97 B9R1.21 CSC1=CC=C(C=O)O1 AT17272 [0,1,0,0,0,0|0,0,0]=1 98 B9R1.21 CSC1=CC=C(C=O)S1 T72147 [0,1,0,0,0,0|0,1,0]=2 99 B9R1.21 CSC1=NC=C(C=O)S1 AT15087 [0,1,0,0,0,0|1,1,0]=3 100 B9R1.21 N#CC1=CC(C=O)=CS1 AT17083 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.21 N#CC1=CC=C(CCl)O1 AT17436 [0,1,0,0,0,0|1,0,1]=3 102 B9R1.21 N#CC1=CC=C(CN)S1 20230 [0,1,0,0,0,0|1,1,1]=4 103 B9R1.21 N#CC1=CNC(C=O)=C1 AT16180 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.21 N#CC1=CSC(C=O)=N1 AT15218 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.21 NCC1=CC=C(CO)O1 AT17200 [0,1,0,0,0,0|0,0,2]=3 106 B9R1.21 O=CC1=CC(CCl)=CS1 AT17066 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.21 O=CC1=CC=C(CCl)O1 F11818 [0,1,0,0,0,0|0,0,0]=1 108 B9R1.21 O=CC1=NC(CO)=CS1 AT14686 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.22 CC1=C(C=O)N=C(Br)S1 AT15268 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.22 CC1=C(C=O)N=C(Cl)S1 F12184 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.22 CC1=CC(C=O)=C(C)O1 AT17481 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.22 CC1=NC(C)=C(CCl)O1 88379 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.22 CC1=NC(C=O)=C(Br)S1 C15352 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.22 CC1=NC(C=O)=C(C)O1 S11308 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.22 CC1=NC(C=O)=C(C)S1 AT15238 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.22 CN1C=C(Br)C=C1C=O AT16228 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.22 CN1C=C(C=O)C(Br)=N1 AT14265 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.22 CN1C=C(C=O)C(F)=N1 P20550 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.22 CN1C=C(C=O)C(I)=N1 AT14267 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.22 CN1C=C(C=O)C(O)=N1 AT14009 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.22 CN1C=C(I)C(C=O)=N1 AT14258 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.22 CN1N=C(Br)C(C=O)=N1 95940 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.22 O=CC1=C(Br)SC(Br)=N1 AT10198 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.23 CC1=C(C)OC(C=O)=C1 F30227 [0,1,0,0,0,0|0,0,0]=1 125 B9R1.23 CC1=C(C)OC(C=O)=N1 AT18582 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.23 CC1=C(C)OC(CCl)=N1 AT18579 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.23 O=CC1=CC(Br)=C(Br)O1 I10154 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.35 CC(=O)C1=CN(C)C=N1 AT21668 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.35 CC(=O)C1=NC(C)=CN1 I10088 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.35 CC(=O)N1C=CC(N)=C1 AC4901 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.35 CC1=CC(C(N)=O)=NN1 N12273 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.35 CC1=CC=C([C@H](C)N)O1 N12562 [0,1,0,0,0,0|1,0,1]=3 135 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12182 [0,1,0,0,0,0|1,0,1]=3 136 B9R1.35 CC1=CN=C([C@H](C)N)O1 F53855 [0,1,0,0,0,0|2,0,1]=4 137 B9R1.35 CC1=NC(C(=O)O)=NO1 A10653 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.35 CC1=NC(C(N)=O)=NO1 E72463 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.35 CC1=NOC(C(=O)O)=N1 72017 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.35 CC1=NOC(C(=O)[O-])=N1 D87501 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.35 CC1=NOC(C(N)=O)=C1 C11163 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.35 CC1=NSC(C(=O)O)=C1 AT21155 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.35 CN1C=C(C(=O)Cl)C=N1 AT16091 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.35 CN1C=CC(C(=O)Cl)=N1 79491 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.35 CN1C=CC([N+](=O)[O-])=C1 97918 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.35 CN1C=NC(C(N)=O)=C1 24458 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.35 CN1CC(C(=O)O)=CO1 F12190 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.35 C[C@H](Cl)C1=CC=C(Cl)O1 55261 [0,1,0,0,0,0|2,0,1]=4 149 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y12846 [0,1,0,0,0,0|2,0,1]=4 150 B9R1.35 C[C@H](O)C1=CC=C(Cl)O1 55260 [0,1,0,0,0,0|1,0,2]=4 151 B9R1.35 FC(F)C1=CC=C(I)O1 AT17270 [0,1,0,0,0,0|2,0,1]=4 152 B9R1.35 NC(=O)C1=CC(Br)=CS1 C76680 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.35 NC1=CN=C(C(=O)O)S1 38504 [0,1,0,0,0,0|2,1,0]=4 154 B9R1.35 NC1=CN=C(C(=O)O)S1 70896 [0,1,0,0,0,0|2,1,0]=4 155 B9R1.35 NC1=CSC(C(=O)O)=C1 AC7156 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.35 NC1=NN=C(C(=O)O)O1 D74010 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.35 NC1=NN=C(C(=O)[O-])O1 AT24496 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.35 O=C(Cl)C1=CC=C(Cl)O1 AT17320 [0,1,0,0,0,0|1,0,0]=2 159 B9R1.35 O=C(O)C1=CC(O)=CS1 AT16393 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.35 O=C(O)C1=CN=C(Cl)N1 AT15386 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.35 O=C(O)C1=CN=C(I)O1 C91097 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.35 O=C(O)C1=CSC(S)=N1 AT14870 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.35 O=C(O)C1=NC(Cl)=CS1 AT14689 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.35 O=C([O-])C1=NC=C(Br)S1 AT14693 [0,1,0,0,0,0|2,1,0]=4 167 B9R1.35 O=[N+]([O-])C1=CC=C(Cl)S1 W15255 [0,1,0,0,0,0|2,1,0]=4 168 B9R1.132 CC1=C(C)C(C=O)=CS1 AT17088 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.132 CC1=C(C)C(C=O)=NN1 AT15956 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.132 CC1=CC=C(CN)N1C P10224 [0,1,0,0,0,0|2,0,1]=4 171 B9R1.132 CC1=CN=C(C=O)N1C AT15705 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.132 CC1=NN=C(C=O)N1C AT12570 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.132 CN1C(C=O)=CN=C1Cl AT15676 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.132 CN1C(Cl)=CC=C1C=O AT16174 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.132 CN1N=CC(C=O)=C1Br 97716 [0,1,0,0,0,0|3,0,0]=4 176 B7R0.2 C=C(C#N)OC(C)=O T70740 [0,0,1,0,0,0|2,0,1]=4 177 B9R1.1 C=CC1=CN=C(C)N=C1 P14948 [0,0,0,0,0,1|3,0,0]=4 178 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [0,0,0,0,0,1|3,0,0]=4 179 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [0,0,0,0,0,1|2,0,1]=4 180 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [0,0,0,0,0,1|2,0,1]=4 181 B9R1.1 CC1=NC=C(NN)C=C1 P10368 [0,0,0,0,0,1|3,0,0]=4 182 B9R1.1 CNC1=CC=C(C)N=N1 AT18436 [0,0,0,0,0,1|3,0,0]=4 183 B9R1.1 O=CC1=CN=C(Br)N=C1 55465 [0,0,0,0,0,1|3,0,0]=4 184 B9R1.1 O=CC1=CN=C(F)C=N1 P15039 [0,0,0,0,0,1|3,0,0]=4 185 B9R1.1 O=CC1=NC=C(Br)C=N1 38375 [0,0,0,0,0,1|3,0,0]=4 186 B9R1.2 C#CC1=CC(C)=CN=C1 AT12963 [0,0,0,0,0,1|2,0,1]=4 187 B9R1.2 C#CC1=NC(C)=CC=N1 AT18275 [0,0,0,0,0,1|2,0,1]=4 188 B9R1.2 C=CC1=CC=NC(N)=N1 AT12778 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.2 CC1=CC(C=O)=NC=N1 AT18315 [0,0,0,0,0,1|2,0,0]=3 190 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [0,0,0,0,0,1|2,0,1]=4 191 B9R1.2 CC1=CC=NC(CCl)=N1 P10964 [0,0,0,0,0,1|2,0,1]=4 192 B9R1.2 CC1=CC=NC(CN)=N1 P10960 [0,0,0,0,0,1|2,0,1]=4 193 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [0,0,0,0,0,1|2,0,1]=4 194 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [0,0,0,0,0,1|2,0,1]=4 195 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [0,0,0,0,0,1|1,0,2]=4 196 B9R1.2 CC1=NC=CC(CCl)=N1 F53395 [0,0,0,0,0,1|2,0,1]=4 197 B9R1.2 CC1=NC=CC(CN)=N1 F14224 [0,0,0,0,0,1|2,0,1]=4 198 B9R1.2 CC1=NC=CC(NN)=C1 F16202 [0,0,0,0,0,1|3,0,0]=4 199 B9R1.2 COC1=CCC=C(C)C1 AC4015 [0,0,0,0,0,1|3,0,0]=4 200 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [0,0,0,0,0,1|3,0,0]=4 201 B9R1.2 NC1=NC=CC(C=O)=C1 O10660 [0,0,0,0,0,1|2,0,0]=3 202 B9R1.2 O=CC1=CC(I)=CN=C1 H10413 [0,0,0,0,0,1|2,0,0]=3 203 B6R0.4 C=C\C=C/C(=O)O C74528 [1,0,1,0,0,0|0,0,1]=3 204 B6R0.4 C=C\C=C\C(=O)O 35918 [1,0,1,0,0,0|0,0,1]=3 205 B6R0.6 CCO\C=C\C=O F18326 [1,0,1,0,0,0|1,0,1]=4 206 B6R0.6 O=C\C=C\C=C\[O-] 98104 [1,0,1,0,0,0|0,0,1]=3 207 B6R1.2 CC1=CN=CO1 C77581 [2,0,0,0,0,0|1,0,0]=3 208 B6R1.2 CC1=NC=CO1 O10838 [2,0,0,0,0,0|1,0,0]=3 209 B6R1.2 CC1=NSC=C1 AC6637 [2,0,0,0,0,0|2,0,0]=4 210 B6R1.2 ClC1=NC=CO1 F20650 [2,0,0,0,0,0|2,0,0]=4 211 B6R1.2 NC1=CC=CS1 44128 [2,0,0,0,0,0|1,1,0]=4 212 B6R1.2 NC1=CC=CS1 F10359 [2,0,0,0,0,0|1,1,0]=4 213 B6R1.2 SC1=NC=CO1 AT18533 [2,0,0,0,0,0|1,1,0]=4 214 B8R1.7 CC(=O)C1=CN=CO1 F19037 [1,1,0,0,0,0|1,0,0]=3 215 B8R1.7 CC(=O)C1=COC=N1 AT18593 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [1,1,0,0,0,0|1,0,1]=4 217 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [1,1,0,0,0,0|1,0,1]=4 218 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [1,1,0,0,0,0|1,0,1]=4 219 B8R1.7 N=C(N)C1=CC=CN1 F18689 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.7 NC(=O)C1=NOC=C1 AT19826 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.7 NC(=S)C1=CC=CO1 F11945 [1,1,0,0,0,0|0,1,0]=3 222 B8R1.7 O=C(Cl)C1=COC=N1 D78648 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.7 O=C([O-])C1=NC=CO1 AT18513 [1,1,0,0,0,0|1,0,0]=3 224 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [1,1,0,0,0,0|1,1,0]=4 225 B8R1.8 O=CCC1=CC=CS1 O10539 [1,1,0,0,0,0|0,1,0]=3 226 B8R1.8 O=CCC1=NC=CS1 D88143 [1,1,0,0,0,0|1,1,0]=4 227 B8R1.8 O=CCC1=NN=CO1 W10330 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.11 CC1=C(C=O)C=CS1 AT16762 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.11 CC1=C(C=O)N=CO1 AT18594 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.11 CC1=C(CN)OC=C1 AT17196 [1,1,0,0,0,0|1,0,1]=4 231 B8R1.11 N#CC1=C(Br)C=CO1 AT17437 [1,1,0,0,0,0|1,0,1]=4 232 B8R1.11 NC1=C(C=O)SC=C1 O10948 [1,1,0,0,0,0|0,1,0]=3 233 B8R1.11 O=CC1=C(Br)SC=N1 AT14701 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.11 O=CC1=C(I)C=CS1 AT16727 [1,1,0,0,0,0|0,1,0]=3 235 B8R1.11 O=CC1=C(I)C=NN1 S11458 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.11 O=CC1=CNC=C1Br AT16220 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.11 O=CC1=CSC=C1Cl AT16877 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.18 CC1=C(C)OC(=O)N1 AT18454 [1,1,0,0,0,0|1,0,0]=3 239 B8R1.18 CC1=C(C)OC(Br)=N1 AT18457 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.18 CC1=C(C)OC(S)=N1 AT18536 [1,1,0,0,0,0|1,1,0]=4 241 B8R1.18 CC1=C(C)SC(Br)=C1 95200 [1,1,0,0,0,0|1,1,0]=4 242 B8R1.18 CC1=CC(=O)NN1C AT14000 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.18 CC1=CC(C)=C(S)S1 AT16553 [1,1,0,0,0,0|0,2,0]=4 244 B8R1.18 CC1=CC(I)=C(C)S1 CS2241 [1,1,0,0,0,0|0,1,1]=4 245 B8R1.18 C[C@@H]1OC(=O)NC1=O D75118 [1,1,0,0,0,0|1,0,1]=4 246 B8R1.50 CC1=CC=C(C)N1N AT25958 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [0,1,0,0,0,1|1,0,1]=4 248 B10R1.1 CC1=NC=C(\C=C\Br)C=C1 F50214 [0,1,0,0,0,1|2,0,0]=4 249 B10R1.1 O=CNC1=CC=C(F)C=C1 F21300 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [0,1,0,0,0,1|1,0,0]=3 252 B10R1.3 CNC1=NC=C(C=O)C=N1 I11675 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [0,1,0,0,0,1|1,0,0]=3 254 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [0,1,0,0,0,1|1,0,0]=3 255 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [0,1,0,0,0,1|1,0,0]=3 257 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.13 CC1=CN=C(C(=N)N)C=C1 W19131 [0,1,0,0,0,1|2,0,0]=4 259 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [0,1,0,0,0,1|1,0,0]=3 260 B10R1.13 CC1=NC=C(C(N)=O)C=N1 81927 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.13 NC(=O)C1=NN=C(Br)C=C1 D76262 [0,1,0,0,0,1|2,0,0]=4 262 B10R1.13 NC(=O)C1=NNC(=O)C=C1 AC6451 [0,1,0,0,0,1|2,0,0]=4 263 B10R1.25 CC1=CC(Br)=C(C=O)C=N1 C14106 [0,1,0,0,0,1|1,0,0]=3 264 B10R1.25 CC1=CC(Br)=C(C=O)N=C1 53823 [0,1,0,0,0,1|1,0,0]=3 265 B10R1.25 CC1=CC(Cl)=CN=C1C=O 97693 [0,1,0,0,0,1|2,0,0]=4 266 B10R1.25 CC1=CC(N)=C(C=O)C=C1 F15845 [0,1,0,0,0,1|1,0,0]=3 267 B10R1.25 CC1=NC(C)=C(C=O)C=C1 F12423 [0,1,0,0,0,1|1,0,0]=3 268 B10R1.25 CC1=NC(C)=C(C=O)C=N1 D97637 [0,1,0,0,0,1|2,0,0]=4 269 B10R1.25 NC1=C(C=O)C=CC(Br)=N1 97231 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.25 NC1=C(C=O)C=CC(Cl)=N1 66186 [0,1,0,0,0,1|2,0,0]=4 271 B10R1.25 O=CC1=C(Cl)C=C(F)C=N1 BL010213 [0,1,0,0,0,1|2,0,0]=4 272 B10R1.25 O=CC1=C(I)C=C(Cl)C=C1 C90858 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.25 O=CC1=CC=C(F)N=C1Br AT22753 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.176 CC1=C(Br)C=C(C=O)C=N1 C14264 [0,1,0,0,0,1|1,0,0]=3 275 B10R1.176 O=CC1=CC(Br)=C(I)C=C1 AT26050 [0,1,0,0,0,1|2,0,0]=4 276 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 AT23715 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.2 CN1C=CC=C(C=O)C1=O 55279 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.2 NC1=C(C=O)C=CN=C1Cl AT14240 [0,1,0,0,0,1|2,0,0]=4 279 B10R1.2 O=CC1=CC=CC(Cl)=C1I 93250 [0,1,0,0,0,1|2,0,0]=4 280 B10R1.2 O=CC1=CN=CC(F)=C1Cl 66141 [0,1,0,0,0,1|2,0,0]=4 281 B10R1.2 O=CC1=NC=CC(Br)=C1Cl F53264 [0,1,0,0,0,1|2,0,0]=4 282 B10R1.2 O=CC1=NC=CC(Cl)=C1F C14479 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.8 CC1=CC(C)=NC(C=O)=N1 P20555 [0,1,0,0,0,1|1,0,0]=3 284 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 C77358 [0,1,0,0,0,1|1,0,0]=3 285 B10R1.8 O=CC1=CC(F)=CC(Br)=N1 N10043 [0,1,0,0,0,1|2,0,0]=4 286 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [0,1,0,0,0,1|1,0,0]=3 287 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.30 CC1=CC(C=O)=C(Br)C=N1 D72245 [0,1,0,0,0,1|1,0,0]=3 289 B10R1.30 CC1=CC(C=O)=C(C)N=N1 AT17926 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.30 CC1=CN=C(F)C=C1C=O AT26672 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.30 CC1=NC=C(F)C=C1C=O C16838 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.30 NC1=C(C=O)C=C(I)C=C1 F15851 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.30 NC1=C(C=O)N=C(Cl)C=C1 O10939 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.30 NC1=NC=C(Br)C=C1C=O N10755 [0,1,0,0,0,1|2,0,0]=4 295 B10R1.30 O=CC1=CC(Br)=CN=C1Br FD10640 [0,1,0,0,0,1|2,0,0]=4 296 B10R1.30 O=CC1=CC(Br)=NC=C1Br 80248 [0,1,0,0,0,1|2,0,0]=4 297 B10R1.30 O=CC1=CC(Br)=NC=C1Cl 88069 [0,1,0,0,0,1|2,0,0]=4 298 B10R1.30 O=CC1=CC(Br)=NC=C1O D70761 [0,1,0,0,0,1|2,0,0]=4 299 B10R1.30 O=CC1=CC(Cl)=CNC1=O AT24459 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.30 O=CC1=CC(F)=CN=C1F AT10064 [0,1,0,0,0,1|2,0,0]=4 301 B10R1.113 CC(=O)C1=CC(=O)NC=C1 90624 [0,1,0,0,0,1|2,0,0]=4 302 B10R1.113 CC(=O)C1=CN=NC(C)=C1 E71800 [0,1,0,0,0,1|2,0,0]=4 303 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [0,1,0,0,0,1|2,0,0]=4 304 B10R1.113 CC1=CC=CC(C(=N)N)=N1 74734 [0,1,0,0,0,1|2,0,0]=4 305 B10R1.113 CC1=CC=NC(C(=N)N)=N1 38082 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.113 NC(=O)C1=CN=CC(Br)=N1 W17936 [0,1,0,0,0,1|2,0,0]=4 307 B10R1.113 NC1=CC=NC(C(=O)O)=N1 AT18255 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.113 O=C(Cl)C1=CC=NC(Cl)=N1 C14874 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 D84548 [0,1,0,0,0,1|2,0,0]=4 310 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AC3399 [0,1,0,0,0,1|2,0,0]=4 311 B10R1.113 O=C([O-])C1=CC=CC(Cl)=C1 I11436 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.172 C=CC1=CC=CC(OC)=N1 52911 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.172 COC1=CC=NC(C=O)=N1 AT18294 [0,1,0,0,0,1|1,0,0]=3 314 B10R1.172 O=CC1=CC(C=O)=NC=C1 CS1671 [0,1,0,0,0,1|1,0,1]=4 315 B10R1.172 O=CC1=NC=CC(CO)=C1 60952 [0,1,0,0,0,1|1,0,0]=3 316 B10R1.14 C=C[C@H](N)C1=CC=C(C)O1 N16764 [0,2,0,0,0,0|1,0,0]=3 317 B10R1.14 C=C[C@H](N)C1=CC=C(C)O1 N16766 [0,2,0,0,0,0|1,0,0]=3 318 B10R1.14 C=C[C@H](N)C1=CC=C(C)O1 N16767 [0,2,0,0,0,0|1,0,0]=3 319 B10R1.14 CC1=CC=C(C(=O)CO)O1 AC5801 [0,2,0,0,0,0|0,0,0]=2 320 B10R1.14 CC1=CC=C(C(=O)CO)S1 AC3828 [0,2,0,0,0,0|0,1,0]=3 321 B10R1.14 CC1=CC=C([C@@H](N)CO)O1 N16761 [0,2,0,0,0,0|0,0,2]=4 322 B10R1.14 CC1=CC=C([C@@H](N)CO)O1 N16762 [0,2,0,0,0,0|0,0,2]=4 323 B10R1.14 CC1=CC=C([C@@H](N)CO)O1 N16763 [0,2,0,0,0,0|0,0,2]=4 324 B10R1.14 CCC(=O)C1=CC=C(Br)O1 N14292 [0,2,0,0,0,0|1,0,0]=3 325 B10R1.14 CNC(=O)C1=CC=C(N)S1 92880 [0,2,0,0,0,0|1,1,0]=4 326 B10R1.14 COC(=O)C1=CC=C(F)S1 D87046 [0,2,0,0,0,0|1,1,0]=4 327 B10R1.14 COC(=O)C1=CNC(C)=C1 AT21660 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.54 CC(=O)NC1=CC=C(Br)S1 27544 [0,2,0,0,0,0|1,1,0]=4 329 B10R1.54 CC(=O)NC1=NC(C)=CN1 72448 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.54 CC1=CSC(CC(=O)O)=N1 F13736 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.54 CC1=NC=C(CC(=O)O)S1 W18595 [0,2,0,0,0,0|1,1,0]=4 332 B10R1.54 CC1=NN(CC(=O)O)C=C1 C15138 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.54 CN1C=CC(CC(=O)O)=N1 72291 [0,2,0,0,0,0|2,0,0]=4 334 B10R1.54 O=C(Cl)CC1=CC=C(Br)S1 AC8730 [0,2,0,0,0,0|1,1,0]=4 335 B10R1.96 CCCN1C=CC(C=O)=N1 AT14222 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.96 CCOC1=CC=C(C=O)O1 AT17093 [0,2,0,0,0,0|0,0,0]=2 337 B10R1.96 COCC1=CC=C(C=O)S1 AT26622 [0,2,0,0,0,0|0,1,0]=3 338 B10R1.96 COCC1=NC(C=O)=CS1 AT15255 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.96 O=CC1=CC=C(CCO)S1 F19778 [0,2,0,0,0,0|0,1,0]=3 340 B10R1.31 CC(=O)C1=CC=C(C#N)O1 AT17433 [0,2,0,0,0,0|0,0,1]=3 341 B10R1.31 CC(C)C1=CC=C(C=O)O1 F53542 [0,2,0,0,0,0|0,0,0]=2 342 B10R1.31 CC(C)C1=CSC(C=O)=N1 F14711 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.31 CCC1=CC=C(C(=O)O)O1 AT17158 [0,2,0,0,0,0|0,0,0]=2 344 B10R1.31 CCC1=CSC(C(=O)O)=N1 C71580 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.31 CN(C)C1=NC(C=O)=CS1 93230 [0,2,0,0,0,0|2,0,0]=4 346 B10R1.31 CNC1=NC=C(C(=O)O)O1 AT18685 [0,2,0,0,0,0|1,0,0]=3 347 B10R1.31 COC1=CC=C(C(=O)O)O1 AT17094 [0,2,0,0,0,0|0,0,0]=2 348 B10R1.31 COC1=NC(C(=O)O)=CO1 AT18455 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.31 CSC1=CC(C(=O)O)=CO1 AT17277 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.31 CSC1=CC=C(C(=O)O)O1 AT17280 [0,2,0,0,0,0|0,0,0]=2 351 B10R1.31 FC(F)C1=CC=C(CBr)O1 55263 [0,2,0,0,0,0|1,0,1]=4 352 B10R1.31 NCC1=CC=C(C(=O)O)O1 AT17184 [0,2,0,0,0,0|0,0,0]=2 353 B10R1.31 NCC1=CC=C(C(=O)O)S1 AT24853 [0,2,0,0,0,0|0,1,0]=3 354 B10R1.31 O=C(O)C1=COC(CBr)=N1 AT18565 [0,2,0,0,0,0|2,0,0]=4 355 B10R1.31 O=C(O)C1=COC(CO)=C1 AT17501 [0,2,0,0,0,0|2,0,0]=4 356 B10R1.31 O=CC1=CC(C(F)F)=CS1 AT16852 [0,2,0,0,0,0|2,0,0]=4 357 B10R1.31 O=CC1=CC=C(C(F)F)O1 AT17239 [0,2,0,0,0,0|0,0,0]=2 358 B10R1.31 O=CC1=COC(C(F)F)=N1 AT18521 [0,2,0,0,0,0|2,0,0]=4 359 B10R1.31 O=CC1=NN(C(F)F)C=C1 AT13601 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.31 OCC1=CC=C(C(F)F)O1 55262 [0,2,0,0,0,0|0,0,2]=4 361 B10R1.35 CCN1C=C(Br)C(C=O)=N1 AT14238 [0,2,0,0,0,0|2,0,0]=4 362 B10R1.34 [2H]C1=C([2H])C([2H])=C(C=O)O1 D98747 [0,2,0,0,0,0|1,0,0]=3 363 B10R1.59 CC(=O)C1=NN(C)C=C1C AT13574 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.59 CC(=O)C1=NN(C)C=C1N W12223 [0,2,0,0,0,0|2,0,0]=4 365 B10R1.59 CC1=CC(C(=O)O)=C(Br)S1 92997 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 AT17163 [0,2,0,0,0,0|0,0,0]=2 367 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 AT16400 [0,2,0,0,0,0|0,1,0]=3 368 B10R1.59 CC1=CN(C)C=C1C(=O)O AT10393 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.59 CC1=CN(C)N=C1C(=O)O AT14198 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.59 CC1=NC(C(=O)O)=C(Br)O1 27242 [0,2,0,0,0,0|2,0,0]=4 371 B10R1.59 CC1=NC(C(=O)O)=C(C)N1 AT15391 [0,2,0,0,0,0|2,0,0]=4 372 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 AT21448 [0,2,0,0,0,0|2,0,0]=4 373 B10R1.59 NC(=O)C1=C(F)C=C(N)S1 92878 [0,2,0,0,0,0|1,1,0]=4 374 B10R1.59 NC1=C(C(=O)O)SC(Br)=C1 58229 [0,2,0,0,0,0|1,1,0]=4 375 B10R1.58 CC(=O)C1=CC(Br)=C(Br)O1 AT15595 [0,2,0,0,0,0|1,0,0]=3 376 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 W10228 [0,2,0,0,0,0|0,1,0]=3 377 B10R1.58 CC1=C(Cl)N=C(C(=O)O)N1 96260 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.58 CC1=NC(C(=O)O)=CN1C AC8449 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.58 CN1C=C(C(=O)O)C=C1Br C91432 [0,2,0,0,0,0|2,0,0]=4 380 B10R1.58 CN1N=C(C(=O)O)C=C1N AT14203 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 27225 [0,2,0,0,0,0|1,1,0]=4 382 B10R1.55 CC1=CC=C(S(=O)(=O)Cl)S1 H10930 [0,2,0,0,0,0|1,1,0]=4 383 B10R1.194 CC1=COC(C(=O)O)=C1C AT17164 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.194 CC1=CSC(C(=O)O)=C1Br AT11772 [0,2,0,0,0,0|2,0,0]=4 385 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [0,0,1,1,0,0|0,0,2]=4