0 B7R0.4 CCCOCC(=O)O AC1647 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.4 COCCCC(=O)O 78063 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.4 C\C=C/C=C/C(=O)O D86563 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.4 C=CCCC(=O)Cl F16765 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.4 CCOCC(=O)O D73862 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.4 COC=CC(=O)O D97266 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.4 O=C(O)\C=C\CCl 11303 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.4 O=C\C=C\B(O)O A50009 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [0,1,0,0,0,0|0,0,2]=3 9 B8R0.6 COC\C=C\C(=O)OC P17071 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.9 CCC(C)=CCC(=O)O C75612 [0,1,0,0,0,0|0,0,2]=3 11 B8R0.28 CC(=O)OCCC(=O)O C77559 [0,1,0,0,0,0|1,0,2]=4 12 B8R0.28 CC(C)=CCCC(=O)O F16793 [0,1,0,0,0,0|0,0,2]=3 13 B8R1.1 CC1=CC=C(C=O)N1 29847 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.1 CC1=NC=C(C=O)O1 C10143 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,0,0,1,0,0|1,0,1]=3 16 B8R1.1 N#CC1=CC=C(Br)O1 C75300 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.1 O=CC1=CC=C(Br)N1 O11353 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.1 O=CC1=CC=C(Cl)N1 D95169 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.4 CC1=CC(=S)NC=C1 I11274 [0,0,0,1,0,0|2,1,0]=4 20 B8R1.4 CC1=CC=CC(I)=N1 S10876 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.4 CC1=CN=NC(=O)C1 78530 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.4 CC1=NC=CC(I)=C1 25628 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.4 CC1=NC=CC(N)=N1 25050 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.4 NC1=CC(O)=CN=C1 24928 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.4 NC1=CC(O)=CN=C1 26279 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.4 NC1=CC=CC(I)=N1 76368 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.4 O=C1N=C(Br)C=CN1 D96558 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.4 OC1=CC(F)=NC=C1 26765 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.4 OC1=CC=NC(Cl)=N1 29860 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.4 OC1=CN=CC(Br)=N1 P20532 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 OC1=NC=CC(Cl)=N1 78049 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.4 OC1=NC=CC(F)=C1 22624 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.7 CC(=O)C1=CC=NO1 I11392 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.7 CC(=O)C1=CN=CS1 66660 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.7 CC(=O)C1=NC=CO1 33464 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.7 N=C(N)C1=CC=CS1 C15965 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.7 NC(=O)C1=CC=NO1 F30843 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.7 NC(=O)C1=CN=CO1 78451 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.7 NC(=O)C1=CN=CS1 D79735 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.7 NC(=O)C1=COC=N1 35847 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.7 NC(=O)C1=NC=CS1 A10602 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.7 NC(=O)C1=NSC=C1 F14137 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.7 O=C(Cl)N1C=CC=N1 72878 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.7 O=C(O)C1=CN=NN1 28556 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.7 O=C(O)C1=CSN=C1 83094 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.7 O=C(O)C1=NNN=C1 O10789 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.7 O=C(O)C1=NOC=N1 AC6968 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.7 O=C(O)C1=NSC=C1 83207 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.7 O=C(O)C1=NSN=C1 F16493 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.7 O=[N+]([O-])C1=CC=CN1 26912 [0,0,0,1,0,0|2,0,1]=4 54 B5R0.1 O=C(O)\C=C\Br AC1121 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.1 O=C(O)\C=C\I W15430 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.2 CO\C(C)=C/C(C)=O D93418 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.3 C=CCCC(=O)OC AT23749 [1,1,0,0,0,0|0,0,2]=4 58 B7R0.3 COC(=O)\C=C\CCl AT12623 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.3 COC(=O)\C=C\CN AT20770 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [1,1,0,0,0,0|0,0,2]=4 61 B7R0.6 CC(C)=CCC(=O)O 24307 [1,1,0,0,0,0|0,0,1]=3 62 B9R0.1 COC(=O)\C=C\CN(C)C D70009 [0,2,0,0,0,0|1,0,1]=4 63 B9R0.2 CCC\C=C/CCC(=O)O E70288 [0,2,0,0,0,0|0,0,2]=4 64 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [0,2,0,0,0,0|1,0,1]=4 65 B9R0.55 O=C(O)\C=C\CCC(=O)O S11920 [0,2,0,0,0,0|1,0,1]=4 66 B9R0.7 C=C(C)C(=O)NCC(=O)O A12316 [0,2,0,0,0,0|1,0,1]=4 67 B9R0.42 COC(=O)CC(=O)C(=O)O 78060 [0,2,0,0,0,0|1,0,1]=4 68 B7R1.2 C=C1CCC(=O)O1 T71516 [1,0,0,1,0,0|0,0,2]=4 69 B7R1.2 CC1=CC=C(Br)O1 C71939 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.2 CC1=CN=C(N)O1 80158 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.2 CC1=CNC(=O)N1 O11257 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.2 CC1=CNC(=O)S1 C90545 [1,0,0,1,0,0|1,1,0]=4 73 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [1,0,0,1,0,0|0,0,1]=3 74 B7R1.2 O=C1C=C[C@@H](O)O1 F11119 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.2 O=C1C=C[C@H](Br)O1 D96050 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.2 OC1=CC=C(Br)S1 C72253 [1,0,0,1,0,0|1,1,0]=4 77 B7R1.3 NC1=CC=CC=C1 T70935 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.3 NC1=CC=CC=C1 T71037 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.3 O=C1C=CCCN1 88830 [1,0,0,1,0,0|1,0,1]=4 80 B7R1.18 O=C(O)C1=CCC1 P16818 [1,0,0,1,0,0|0,0,1]=3 81 B7R1.1 C=CC1=CC=CS1 C10114 [1,0,0,1,0,0|0,1,1]=4 82 B7R1.1 CNC1=NC=CO1 71780 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.1 CSC1=NC=CO1 O10533 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.1 O=CC1=CC=C[Se]1 T72165 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.1 O=CC1=CC=NS1 62852 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.1 O=CC1=CCC=C1 77835 [1,0,0,1,0,0|0,0,2]=4 87 B7R1.1 O=CC1=CCCC1 26227 [1,0,0,1,0,0|0,0,2]=4 88 B7R1.1 O=CC1=CN=CO1 39069 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.1 O=CC1=NOC=C1 P10400 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.4 CC1=C(C)NC=C1 F20873 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.4 CC1=CCOC1=O T72100 [1,0,0,1,0,0|1,0,1]=4 92 B7R1.4 CC1=CSC=C1N P10841 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.4 CN1C=CNC1=O F12570 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,1,0,1,0,0|1,0,1]=4 95 B9R1.7 CCO[C@@H]1C=CC(=O)O1 91454 [0,1,0,1,0,0|0,0,2]=4 96 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.13 O=C(O)CC1=CC=CN1 29609 [0,1,0,1,0,0|1,0,0]=3 98 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [0,1,0,1,0,0|1,0,0]=3 99 B9R1.13 O=C(O)CC1=CC=NO1 AC1452 [0,1,0,1,0,0|1,0,1]=4 100 B9R1.13 O=C(O)CC1=CCC=C1 78226 [0,1,0,1,0,0|0,0,1]=3 101 B9R1.13 O=C(O)CC1=CN=CS1 P10574 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.13 O=C(O)CC1=CNC=C1 65416 [0,1,0,1,0,0|0,0,2]=4 103 B9R1.13 O=C(O)CC1=CNC=N1 C16158 [0,1,0,1,0,0|1,0,1]=4 104 B9R1.13 O=C(O)CC1=NC=CN1 F17266 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.13 O=C(O)CC1=NC=CS1 26228 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.13 O=C(O)CC1=NNC=C1 71426 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.13 O=C(O)CC1=NOC=C1 Y10092 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.34 CC1=CC(=O)C=C(O)O1 O10801 [0,1,0,1,0,0|0,0,1]=3 109 B9R1.34 CC1=CC(Br)=CC(=O)O1 W11181 [0,1,0,1,0,0|0,0,0]=2 110 B9R1.34 CC1=CC(Br)=CC(Br)=N1 C76528 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.34 CC1=CC(Br)=CC(Cl)=N1 I10130 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.34 CC1=CC(Br)=CC(N)=N1 I11227 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.34 CC1=CC(Br)=CC(O)=N1 25599 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.34 CC1=CC(C)=CC(C)=C1 78199 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.34 CC1=CC(Cl)=CC(N)=N1 26589 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.34 CC1=CC(Cl)=NC(O)=C1 D83290 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.34 CC1=CC(I)=CC(Cl)=C1 56091 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.34 CC1=CC(N)=CC(=O)O1 W11182 [0,1,0,1,0,0|0,0,0]=2 119 B9R1.34 CC1=CC(N)=CC(F)=N1 91514 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.34 CC1=CC(O)=CC(N)=C1 25104 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.34 CC1=NC(Cl)=CC(=O)N1 91471 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.34 NC1=CC(=O)NC(F)=C1 P17190 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.34 NC1=CC(Cl)=CC(O)=C1 CL9455 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.34 NC1=CC(Cl)=NC(O)=C1 I11313 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.34 NC1=CC(F)=CC(O)=C1 AT15770 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.34 OC1=CC(Cl)=CC(Cl)=N1 CL0069 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.34 OC1=CC(I)=CC(Cl)=C1 C13366 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.34 OC1=CC(I)=CC(F)=C1 F13580 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.34 OC1=CC(O)=CC(F)=C1 F52031 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.34 OC1=CC(O)=CC(I)=C1 A12718 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.41 CC(=O)C1=C(C)SC=N1 C72473 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.41 CC(=O)C1=CN=CN1C W13364 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.41 CC(=O)C1=CNC=C1C W17613 [0,1,0,1,0,0|1,0,0]=3 134 B9R1.41 CC(=O)C1=NC=CN1C 38319 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [0,1,0,1,0,0|0,0,0]=2 136 B9R1.41 CC1=C(C(=O)O)CCO1 W15901 [0,1,0,1,0,0|0,0,2]=4 137 B9R1.41 CC1=C(C(=O)O)N=NS1 71555 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.41 CN1C=NC=C1C(=O)Cl 64255 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.41 CN1N=CC=C1C(=O)Cl 79490 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.41 CN1N=CC=C1C(N)=O D86182 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.41 CN1N=CN=C1C(=O)O 72096 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.41 CN1N=NC=C1C(=O)O 27409 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.41 NC(=O)C1=CC=CN1N P15055 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [0,1,0,1,0,0|1,0,0]=3 145 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [0,1,0,1,0,0|1,0,0]=3 146 B9R1.41 O=C(O)C1=C(Br)N=CS1 88253 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.41 O=C(O)C1=C(Br)NC=N1 D86912 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.41 O=C(O)C1=C(Cl)C=NN1 W10253 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.41 O=C(O)C1=C(Cl)C=NS1 S11450 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.41 O=C(O)C1=C(Cl)OC=C1 W18500 [0,1,0,1,0,0|1,0,0]=3 151 B9R1.41 O=C(O)C1=C(Cl)SC=C1 27789 [0,1,0,1,0,0|1,0,0]=3 152 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [0,1,0,1,0,0|1,0,0]=3 153 B9R1.41 O=C(O)C1=C(I)SC=C1 A11648 [0,1,0,1,0,0|1,0,0]=3 154 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [0,1,0,1,0,0|1,0,0]=3 155 B9R1.41 O=C(O)C1=NNC=C1Cl 24966 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.41 O=C(O)C1=NNC=C1F C91234 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.1 CCC1=CN=C(O)C=C1 25325 [0,1,0,1,0,0|1,0,1]=4 158 B9R1.1 CCC1=NNC(=O)C=C1 65671 [0,1,0,1,0,0|1,0,1]=4 159 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.2 C#CC1=CC=CC(=O)N1 N11855 [0,1,0,1,0,0|1,0,1]=4 162 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.2 CC1=CC=CC(NN)=N1 W17082 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.2 CC1=CC=NC(CO)=N1 38635 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.2 CC1=NC=CC(CO)=N1 90609 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [0,1,0,1,0,0|1,0,1]=4 171 B9R1.2 CNC1=CC(N)=CC=C1 36494 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.2 COC1=CC(=O)NC=C1 25837 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.2 COC1=NC(C)=CC=N1 C72586 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.2 COC1=NC(C)=NC=C1 73836 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.2 COC1=NC(O)=CC=N1 Y10376 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [0,1,0,1,0,0|1,0,0]=3 178 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.2 FC1=CC=CC(CBr)=N1 25716 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.2 FC1=CC=CC(CCl)=N1 88353 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.2 N#CC1=CC=CC(=O)N1 P11008 [0,1,0,1,0,0|1,0,1]=4 185 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.2 NC1=CC=CC(CF)=C1 32172 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.2 NCC1=CC=CC(=O)N1 78897 [0,1,0,1,0,0|1,0,0]=3 189 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [0,1,0,1,0,0|2,0,0]=4 191 B9R1.2 NCC1=CC=CC(F)=N1 25846 [0,1,0,1,0,0|2,0,0]=4 192 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.2 O=C1C=C(CCl)C=CN1 AT18186 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.2 O=C1C=C(CO)C=CN1 37365 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.2 O=CC1=CC=CC(=O)N1 N12900 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.3 CC1=C(O)C(Br)=NC=C1 C71875 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.3 CC1=C(O)C(Cl)=NC=C1 36409 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.3 CC1=CC=CC(I)=C1Br CL9287 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.3 CC1=CC=CC(I)=C1Cl D82348 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.3 CC1=CC=CC(I)=C1F 55203 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.3 CC1=NC=CC(O)=C1C 89362 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.3 CN1C(=O)C=CC=C1Br C76858 [0,1,0,1,0,0|2,0,0]=4 205 B9R1.3 CN1C=CC=C(Br)C1=O P11117 [0,1,0,1,0,0|2,0,0]=4 206 B9R1.3 CN1C=CC=C(N)C1=O CS1614 [0,1,0,1,0,0|2,0,0]=4 207 B9R1.3 NC1=C(Cl)C=CC=C1O 83940 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.3 NC1=C(I)C=CC=C1O 56049 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.3 NC1=CC=CC(I)=C1O D93643 [0,1,0,1,0,0|2,0,0]=4 210 B9R1.3 NC1=CC=CC(N)=C1O C73483 [0,1,0,1,0,0|2,0,0]=4 211 B9R1.3 NC1=CC=CC(O)=C1Cl A11176 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.3 NC1=CC=CC(O)=C1F D83231 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.3 NC1=CC=CC(O)=C1N Y11294 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.3 OC1=C(I)C=CC=C1Br A10639 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.3 OC1=C(I)C=CC=C1Cl C10110 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.3 OC1=C(I)C=CC=C1I W15211 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.3 OC1=CC=CC(Cl)=C1I 34465 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.3 OC1=CC=CC(Cl)=C1O I10220 [0,1,0,1,0,0|1,0,1]=4 219 B9R1.3 OC1=CC=CC(I)=C1Cl O10718 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.5 NC1=CC=CC=CC1=O F11661 [0,1,0,1,0,0|1,0,1]=4 221 B9R1.11 COC(=O)C1=CC=NS1 62854 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.11 COC(=O)C1=CCSC1 T71209 [0,1,0,1,0,0|1,0,1]=4 223 B9R1.11 COC(=O)C1=COC=N1 22956 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.11 COC(=O)C1=NC=CO1 C74629 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [0,1,0,1,0,0|1,0,0]=3 227 B9R1.11 O=CC(=O)C1=CC=CO1 D94856 [0,1,0,1,0,0|1,0,1]=4 228 B9R1.21 CSC1=CC=C(CO)O1 D93647 [0,1,0,1,0,0|1,0,1]=4 229 B9R1.21 O=CC1=CC=C(CBr)O1 N16894 [0,1,0,1,0,0|1,0,1]=4 230 B9R1.21 O=CC1=CC=C(CO)N1 O11303 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.80 COC(=O)\C=C\C1CC1 89072 [0,1,0,1,0,0|0,0,2]=4 232 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.6 NC(=O)C1=NC=NC=C1 C74468 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.6 O=C(O)C1=CCNCC1 30668 [0,1,0,1,0,0|0,0,2]=4 237 B9R1.6 O=C([O-])C1=NC=CC=N1 65419 [0,1,0,1,0,0|1,0,1]=4 238 B9R1.84 O=C(O)\C=C\C1CCC1 F53092 [0,1,0,1,0,0|0,0,2]=4 239 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.35 CC(=O)N1C=CC(=O)N1 C76740 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,1,0,1,0,0|1,0,0]=3 246 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.35 CC1=CN=C(C(=O)[O-])O1 P15538 [0,1,0,1,0,0|1,0,1]=4 248 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,1,0,1,0,0|1,0,0]=3 249 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,1,0,1,0,0|1,0,0]=3 250 B9R1.35 CC1=NC(C(N)=O)=CO1 D72598 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.35 CC1=NC(C(N)=O)=CS1 F19208 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.35 CC1=NN=C(C(=O)O)S1 I11693 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,1,0,1,0,0|1,0,0]=3 255 B9R1.35 CN1C=CC(C(N)=O)=N1 Y10580 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.35 CN1C=NC(C(=O)O)=N1 72561 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11515 [0,1,0,1,0,0|1,0,1]=4 258 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y13452 [0,1,0,1,0,0|1,0,1]=4 259 B9R1.35 NC(=O)C1=CC(Br)=CN1 C73743 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.35 NC(=O)C1=CC(Br)=CO1 C77306 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.35 NC(=O)C1=CC=C(Br)N1 38755 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.35 NC(=O)C1=CC=C(N)S1 C90315 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [0,1,0,1,0,0|1,0,0]=3 264 B9R1.35 NC1=CNC(C(=O)O)=N1 D94530 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.35 NC1=NC(C(=O)O)=CN1 F14481 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.35 NC1=NC(C(=O)O)=CO1 38367 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 77750 [0,1,0,1,0,0|0,0,2]=4 268 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 D76148 [0,1,0,1,0,0|0,0,2]=4 269 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [0,1,0,1,0,0|1,0,0]=3 270 B9R1.35 O=C(O)C1=CC(Br)=NN1 D80317 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.35 O=C(O)C1=CC(Br)=NO1 69280 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [0,1,0,1,0,0|1,0,0]=3 273 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [0,1,0,1,0,0|1,0,0]=3 274 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [0,1,0,1,0,0|1,0,0]=3 275 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,1,0,1,0,0|1,0,0]=3 276 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,1,0,1,0,0|1,0,0]=3 277 B9R1.35 O=C(O)C1=CNC(Cl)=C1 72647 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y10043 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.35 O=C(O)C1=COC(I)=N1 D95450 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.35 O=C(O)C1=CSC(Cl)=C1 24618 [0,1,0,1,0,0|1,0,1]=4 281 B9R1.35 O=C(O)C1=NC=C(Br)S1 FD9045 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.35 O=C(O)C1=NC=C(Cl)S1 P10902 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.35 O=C(O)C1=NNC(Cl)=C1 20415 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.35 O=C(O)C1=NNC(O)=C1 C77021 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.35 O=C(O)C1=NOC(Cl)=C1 D80865 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.69 CC1=C(C)N=C(N)C=C1 C75720 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.69 CC1=C(C)N=C(O)C=N1 C75680 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.69 CC1=C(Cl)C=CC(Br)=N1 C16781 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.69 CC1=C(Cl)C=CC(O)=N1 C10556 [0,1,0,1,0,0|1,0,0]=3 290 B9R1.69 CC1=C(Cl)C=NC(O)=C1 C76951 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.69 CC1=C(F)C=CC(Br)=C1 AC7936 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.69 CC1=C(I)C=CC(F)=N1 22653 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.69 CC1=C(N)C=CC(N)=C1 D87687 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.69 CC1=C(O)C=C(I)C=C1 D76555 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.69 CC1=C(O)C=CC(S)=C1 63544 [0,1,0,1,0,0|1,1,0]=4 296 B9R1.69 CC1=CC(I)=C(Br)C=C1 T71407 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.69 CC1=CC(O)=C(Br)C=N1 C72039 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.69 CC1=CC(O)=CN=C1C W19117 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.69 CC1=CC(O)=CN=C1Cl 25601 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.69 CC1=CC(O)=CN=C1F BL009882 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.69 CC1=CC(O)=CN=C1N 72099 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.69 CC1=CC=C(Cl)NC1=O 78111 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.69 CC1=CC=C(N)C(I)=N1 C71773 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.69 CC1=CC=C(O)C(Cl)=N1 35292 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C77105 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.69 CC1=CN=C(F)C(O)=C1 79064 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.69 CC1=CN=C(N)C(=O)N1 C75150 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.69 CC1=NC(N)=C(I)C=C1 65855 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.69 CC1=NC(N)=C(O)C=C1 25163 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.69 CC1=NC(O)=C(Br)C=N1 25539 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.69 CC1=NC(O)=C(Cl)C=N1 I11731 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.69 CC1=NC(O)=C(F)C=N1 25762 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.69 CC1=NC(O)=CN=C1Br E70426 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.69 CN1C=CC(=O)C(O)=C1 O11011 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.69 NC1=C(O)C=CC(O)=C1 D82359 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.69 NC1=CC(O)=C(F)C=C1 53863 [0,1,0,1,0,0|2,0,0]=4 317 B9R1.69 NC1=CC(O)=C(N)C=C1 Y10783 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.69 O=C1C=CC(=O)C(Br)=C1 T70875 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.69 O=C1NC(Cl)=CC=C1Br AT20001 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.69 OC1=C(F)C=CC(I)=C1 26402 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.69 OC1=CC(Br)=C(I)C=C1 A11846 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.69 OC1=CC(F)=C(I)C=C1 36664 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.69 OC1=CC=C(Cl)C(Cl)=N1 S10252 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.69 OC1=NC(F)=C(Br)C=C1 C14402 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.69 OC1=NC(F)=C(I)C=C1 F11075 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.19 O=S(=O)(O)C1=CC=CS1 C76553 [0,1,0,1,0,0|2,0,0]=4