0 B8R1.8 BrCCN1N=CC=N1 B37102 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.8 CCCC1=CC=CS1 P43744 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.8 CCCC1=NC=CN1 P68616 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 CCCC1=NC=CS1 P43394 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.8 CCNC1=NC=CS1 E41366 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.8 CCOC1=NC=CS1 E41172 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.8 CNCC1=CC=CS1 M43398 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.8 CNCC1=CSC=C1 M43396 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 ClCCN1C=CN=C1 C41131 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 N#CCC1=CC=CS1 T39260 [0,0,0,0,0,0|0,0,2]=2 10 B8R1.8 N#CCC1=CN=CN1 I7680 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.8 N#CCC1=CSC=C1 T12833 [0,0,0,0,0,0|2,0,2]=4 12 B8R1.8 N#CCC1=NC=CS1 T10963 [0,0,0,0,0,0|1,0,2]=3 13 B8R1.8 N#CCC1=NNC=C1 P12902 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.8 NCCC1=CC=CS1 T12818 [0,0,0,0,0,0|0,0,0]=0 15 B8R1.8 NCCC1=CN=CS1 T41396 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.8 NCCC1=CSC=C1 T1049 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.8 NCCC1=CSC=C1 T10491 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.8 NCCC1=NC=CN1 K41400 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.8 NCCC1=NN=CS1 T11221 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.8 NCCC1=NN=CS1 T13923 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.8 NCCC1=NNN=N1 T62570 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.8 NCCN1C=CC=C1 P41427 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.8 NCCN1C=CN=C1 K41369 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.8 NCCN1C=CN=C1 K41399 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.8 NCCN1C=NC=N1 T60532 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.8 NNCC1=CC=CS1 H13973 [0,0,0,0,0,0|1,0,0]=1 27 B8R1.8 NNCC1=CSC=C1 H13972 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.8 OCCC1=CC=CS1 T12817 [0,0,0,0,0,0|1,0,0]=1 29 B8R1.8 OCCC1=CN=CN1 K41362 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.8 OCCC1=CNC=N1 I10449 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.8 OCCC1=CNN=C1 P41192 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.8 OCCC1=CSC=C1 T12832 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.8 OCCN1C=CC=N1 P41188 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.8 OCCN1C=CN=C1 K41193 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.8 OCCN1C=CN=N1 T63143 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.8 OCCN1N=CC=N1 T63142 [0,0,0,0,0,0|4,0,0]=4 37 B7R1.1 BrCC1=CSC=C1 B60823 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 BrCC1=NC=CN1 B40117 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.1 C#CC1=CC=CS1 E42371 [1,0,0,0,0,0|0,0,2]=3 40 B7R1.1 C=CC1=CC=CS1 V38168 [1,0,0,0,0,0|0,0,2]=3 41 B7R1.1 C=CC1=NC=CS1 V41009 [1,0,0,0,0,0|1,0,2]=4 42 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.1 CCC1=NN=CO1 E37555 [1,0,0,0,0,0|2,1,0]=4 44 B7R1.1 CCN1C=CN=N1 E40219 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 CCN1C=NC=N1 E40218 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.1 CNC1=NC=CS1 M67793 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.1 CNC1=NC=NS1 M32356 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.1 COC1=CSC=C1 M41124 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.1 COC1=NC=CS1 M2608 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.1 CSC1=NC=CO1 M40164 [1,0,0,0,0,0|2,1,0]=4 52 B7R1.1 ClCC1=CN=CS1 C32421 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 ClCC1=CNC=N1 C2088 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.1 ClCC1=CSC=N1 C2334 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 ClCC1=NC=CO1 C40107 [1,0,0,0,0,0|2,1,0]=4 56 B7R1.1 N#CC1=CC=CN1 P0691 [1,0,0,0,0,0|1,0,2]=4 57 B7R1.1 N#CC1=CC=CO1 F40652 [1,0,0,0,0,0|0,1,2]=4 58 B7R1.1 N#CC1=CC=CS1 T40685 [1,0,0,0,0,0|0,0,2]=3 59 B7R1.1 N#CC1=CN=CS1 T39999 [1,0,0,0,0,0|1,0,2]=4 60 B7R1.1 N#CC1=NC=CS1 C15601 [1,0,0,0,0,0|1,0,2]=4 61 B7R1.1 NCC1=CC=CN1 P41359 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,0,0|0,0,0]=1 63 B7R1.1 NCC1=CC=NO1 K40323 [1,0,0,0,0,0|1,1,0]=3 64 B7R1.1 NCC1=CN=CN1 A69377 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.1 NCC1=CN=CO1 X11178 [1,0,0,0,0,0|1,1,0]=3 66 B7R1.1 NCC1=CN=CO1 X17340 [1,0,0,0,0,0|1,1,0]=3 67 B7R1.1 NCC1=CN=CS1 T11225 [1,0,0,0,0,0|1,0,0]=2 68 B7R1.1 NCC1=CN=CS1 T37607 [1,0,0,0,0,0|1,0,0]=2 69 B7R1.1 NCC1=CN=CS1 T40190 [1,0,0,0,0,0|1,0,0]=2 70 B7R1.1 NCC1=CNC=C1 P26218 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.1 NCC1=CNC=N1 K40332 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.1 NCC1=CNN=C1 A10475 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.1 NCC1=CNN=C1 P17334 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.1 NCC1=CNN=C1 P20267 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.1 NCC1=COC=N1 A40322 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.1 NCC1=COC=N1 O7924 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.1 NCC1=COC=N1 X11296 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.1 NCC1=CON=C1 A14706 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 NCC1=CON=C1 I29534 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.1 NCC1=CSC=C1 T41357 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.1 NCC1=CSC=N1 T13924 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.1 NCC1=CSC=N1 T29521 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.1 NCC1=NC=CN1 A14237 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.1 NCC1=NC=CN1 K40331 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.1 NCC1=NC=CS1 A11223 [1,0,0,0,0,0|1,0,0]=2 86 B7R1.1 NCC1=NC=CS1 T11224 [1,0,0,0,0,0|1,0,0]=2 87 B7R1.1 NCC1=NC=CS1 T24256 [1,0,0,0,0,0|1,0,0]=2 88 B7R1.1 NCC1=NNC=C1 P9792 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.1 NCC1=NOC=C1 I29536 [1,0,0,0,0,0|2,0,0]=3 90 B7R1.1 NCC1=NOC=C1 I7943 [1,0,0,0,0,0|2,0,0]=3 91 B7R1.1 NCC1=NSC=C1 I15218 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.1 NNC1=NC=CS1 H39914 [1,0,0,0,0,0|2,0,0]=3 93 B7R1.1 O=CC1=CC=CN1 P64891 [1,0,0,0,0,0|2,0,1]=4 94 B7R1.1 O=CC1=CC=CS1 T68614 [1,0,0,0,0,0|1,0,1]=3 95 B7R1.1 O=CC1=CN=CS1 T2161 [1,0,0,0,0,0|2,0,1]=4 96 B7R1.1 O=CC1=NC=CS1 T2877 [1,0,0,0,0,0|2,0,1]=4 97 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,0,0|1,0,0]=2 98 B7R1.1 OCC1=CC=NO1 K40159 [1,0,0,0,0,0|2,1,0]=4 99 B7R1.1 OCC1=CN=CN1 I14077 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.1 OCC1=CN=CO1 X14033 [1,0,0,0,0,0|2,1,0]=4 101 B7R1.1 OCC1=CN=CS1 T2166 [1,0,0,0,0,0|2,0,0]=3 102 B7R1.1 OCC1=CNC=N1 H2067 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.1 OCC1=COC=C1 F41115 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.1 OCC1=COC=N1 O7923 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.1 OCC1=CSC=C1 T12827 [1,0,0,0,0,0|3,0,0]=4 106 B7R1.1 OCC1=CSC=N1 T2165 [1,0,0,0,0,0|3,0,0]=4 107 B7R1.1 OCC1=NC=CN1 I38716 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.1 OCC1=NC=CO1 X14019 [1,0,0,0,0,0|2,1,0]=4 109 B7R1.1 OCC1=NC=CS1 H3028 [1,0,0,0,0,0|2,0,0]=3 110 B7R1.1 OCC1=NNC=C1 H7696 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.1 OCC1=NOC=C1 I11321 [1,0,0,0,0,0|3,0,0]=4 112 B7R1.1 OCN1C=CC=N1 P9800 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.7 CC1=CC=C(CCO)O1 M43716 [0,1,0,0,0,0|1,1,0]=3 114 B9R1.7 CCCC1=CC(N)=NN1 P41489 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.7 CCCC1=NOC(N)=C1 P41430 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.7 CCCN1C=C(Br)C=N1 B9822 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.7 CCOC1=NC(Br)=CS1 B2261 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.7 N#CCC1=CC=C(Br)S1 B61534 [0,1,0,0,0,0|0,0,2]=3 120 B9R1.7 N#CCC1=NC=C(Br)S1 B13060 [0,1,0,0,0,0|1,0,2]=4 121 B9R1.7 N#CCC1=NC=C(Cl)S1 C13061 [0,1,0,0,0,0|1,0,2]=4 122 B9R1.7 NC1=CN(CCO)N=C1 A41248 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.7 NC1=NC=C(CCO)S1 A41202 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.7 NC1=NN(CCO)C=C1 A41247 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.7 NNCC1=CC=C(Cl)S1 C13974 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.7 OCCC1=CC(Br)=NO1 B2471 [0,1,0,0,0,0|2,1,0]=4 127 B9R1.7 OCCN1C=C(Br)C=N1 B9452 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.7 OCCN1C=C(I)C=N1 K41137 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [0,1,0,0,0,0|2,0,1]=4 130 B9R1.11 COC(=O)C1=CC=CS1 M42941 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.11 NNC(=O)C1=CC=CO1 F66138 [0,1,0,0,0,0|1,1,1]=4 132 B9R1.11 N[C@@H](CO)C1=CC=CS1 A43554 [0,1,0,0,0,0|1,0,0]=2 133 B9R1.11 O=C(CBr)C1=CC=CS1 B42721 [0,1,0,0,0,0|1,0,1]=3 134 B9R1.11 O=C(CBr)C1=NC=CS1 B40844 [0,1,0,0,0,0|2,0,1]=4 135 B9R1.12 CCCCC1=CSC=C1 B47048 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.12 CCCCC1=NC=CN1 B43788 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.12 CCOCC1=CC=CO1 E38338 [0,1,0,0,0,0|1,1,0]=3 138 B9R1.12 ICCCC1=CC=CS1 K46278 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.12 N#CCCN1C=CC=C1 P45971 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.12 OCCCC1=CC=CS1 T36724 [0,1,0,0,0,0|1,0,0]=2 141 B9R1.13 O=C(Cl)CC1=CC=CS1 T39261 [0,1,0,0,0,0|1,0,1]=3 142 B9R1.13 O=C(O)CC1=CC=CO1 F42944 [0,1,0,0,0,0|1,1,1]=4 143 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [0,1,0,0,0,0|1,0,1]=3 144 B9R1.13 O=C(O)CC1=NC=CS1 T15370 [0,1,0,0,0,0|2,0,1]=4 145 B9R1.33 CC1=C(CCN)SC=N1 M3229 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.33 CC1=C(CCO)N=CS1 M43392 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.33 CC1=C(CCO)SC=N1 M68882 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.33 CC1=NC=CN1CCN M43556 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.33 NC1=CC=NN1CCO A41249 [0,1,0,0,0,0|3,0,0]=4 150 B9R2.2 C1=CC(C2CC2)=NN1 C3288 [0,0,0,1,0,0|3,0,0]=4 151 B9R2.2 C1=CN(C2CC2)N=C1 C43183 [0,0,0,1,0,0|3,0,0]=4 152 B9R2.2 C1=CNC(C2CC2)=N1 C1576 [0,0,0,1,0,0|3,0,0]=4 153 B9R2.2 C1=NC(C2CC2)=CN1 C11863 [0,0,0,1,0,0|3,0,0]=4 154 B9R2.3 C1=CC2=C(C=CS2)S1 T4822 [0,0,0,1,0,0|1,0,2]=4 155 B9R2.3 C1=CC2=C(N1)SC=C2 T42680 [0,0,0,1,0,0|2,0,1]=4 156 B9R2.3 C1=CN2CCCC2=N1 D63557 [0,0,0,1,0,0|3,0,0]=4 157 B9R2.3 C1=NN2CCCC2=C1 D16430 [0,0,0,1,0,0|3,0,0]=4 158 B9R2.3 C1=NNC2=C1CCC2 C15794 [0,0,0,1,0,0|3,0,0]=4 159 B9R1.8 BrCCC1=CC=NC=C1 B46088 [0,0,0,0,0,1|2,0,0]=3 160 B9R1.8 CCCC1=NC=CC=C1 P46859 [0,0,0,0,0,1|2,0,0]=3 161 B9R1.8 CCCC1=NC=CN=C1 P43598 [0,0,0,0,0,1|2,0,0]=3 162 B9R1.8 CCNC1=NC=CN=C1 E43330 [0,0,0,0,0,1|3,0,0]=4 163 B9R1.8 CCOC1=NC=CC=C1 E46369 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.8 CNCC1=CC=NC=C1 M43623 [0,0,0,0,0,1|3,0,0]=4 165 B9R1.8 CNCC1=NC=CC=N1 M14362 [0,0,0,0,0,1|3,0,0]=4 166 B9R1.8 CNCC1=NC=CC=N1 M31227 [0,0,0,0,0,1|3,0,0]=4 167 B9R1.8 CNCC1=NC=CN=C1 M14584 [0,0,0,0,0,1|3,0,0]=4 168 B9R1.8 COCC1=NC=CC=C1 M46377 [0,0,0,0,0,1|3,0,0]=4 169 B9R1.8 N#CCC1=CN=CC=C1 P38543 [0,0,0,0,0,1|1,0,2]=4 170 B9R1.8 N#CCC1=NC=CC=C1 P45196 [0,0,0,0,0,1|1,0,2]=4 171 B9R1.8 N#CCC1=NC=CC=N1 P7449 [0,0,0,0,0,1|1,0,2]=4 172 B9R1.8 N#CCC1=NC=NC=C1 P7453 [0,0,0,0,0,1|1,0,2]=4 173 B9R1.8 N#CCC1=NN=CC=C1 P7452 [0,0,0,0,0,1|1,0,2]=4 174 B9R1.8 NCCC1=CC=CN=C1 P43605 [0,0,0,0,0,1|1,0,0]=2 175 B9R1.8 NCCC1=NC=CC=C1 P67673 [0,0,0,0,0,1|1,0,0]=2 176 B9R1.8 NCCC1=NC=NC=C1 P14666 [0,0,0,0,0,1|1,0,0]=2 177 B9R1.8 NCCC1=NC=NC=C1 P29961 [0,0,0,0,0,1|1,0,0]=2 178 B9R1.8 NNCC1=CC=CC=C1 B6123 [0,0,0,0,0,1|2,0,0]=3 179 B9R1.8 NNCC1=CC=CC=C1 B68081 [0,0,0,0,0,1|2,0,0]=3 180 B9R1.8 NNCC1=CC=CN=C1 H0097 [0,0,0,0,0,1|2,0,0]=3 181 B9R1.8 NNCC1=CC=CN=C1 H36962 [0,0,0,0,0,1|2,0,0]=3 182 B9R1.8 NNCC1=CC=CN=N1 H13970 [0,0,0,0,0,1|2,0,0]=3 183 B9R1.8 NNCC1=CC=NC=C1 H0096 [0,0,0,0,0,1|2,0,0]=3 184 B9R1.8 NNCC1=CC=NC=C1 H26285 [0,0,0,0,0,1|2,0,0]=3 185 B9R1.8 NNCC1=CN=CN=C1 H0219 [0,0,0,0,0,1|3,0,0]=4 186 B9R1.8 NNCC1=CN=NC=C1 H12257 [0,0,0,0,0,1|3,0,0]=4 187 B9R1.8 NNCC1=NC=CC=C1 H0098 [0,0,0,0,0,1|2,0,0]=3 188 B9R1.8 NNCC1=NC=CC=N1 H7463 [0,0,0,0,0,1|2,0,0]=3 189 B9R1.8 NNCC1=NC=CN=C1 H7534 [0,0,0,0,0,1|2,0,0]=3 190 B9R1.8 NOCC1=CC=CC=C1 B68114 [0,0,0,0,0,1|2,0,0]=3 191 B9R1.8 OCCC1=CC=NC=C1 H46381 [0,0,0,0,0,1|2,0,0]=3 192 B9R1.8 OCCC1=CN=CC=C1 P46376 [0,0,0,0,0,1|2,0,0]=3 193 B9R1.8 OCCC1=NC=CN=C1 P24824 [0,0,0,0,0,1|2,0,0]=3 194 B9R1.8 ONCC1=CC=CC=C1 B36744 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.8 ONCC1=CC=CC=C1 B46575 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [0,0,0,0,0,1|3,0,0]=4 197 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [0,0,0,0,0,1|2,0,0]=3 198 B6R0.6 C\C=C\C=C\CO H69109 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.1 CC=CC(=O)CC H41457 [1,0,1,0,0,0|0,1,1]=4 200 B6R1.2 BrC1=CC=CS1 B69329 [2,0,0,0,0,0|1,0,0]=3 201 B6R1.2 BrC1=CN=CS1 B2349 [2,0,0,0,0,0|2,0,0]=4 202 B6R1.2 BrC1=NC=CS1 B2607 [2,0,0,0,0,0|2,0,0]=4 203 B6R1.2 CC1=CC=CN1 M37933 [2,0,0,0,0,0|1,0,0]=3 204 B6R1.2 CC1=CC=CS1 M39179 [2,0,0,0,0,0|0,0,0]=2 205 B6R1.2 CC1=CC=NO1 M24354 [2,0,0,0,0,0|1,1,0]=4 206 B6R1.2 CC1=CN=CS1 M40166 [2,0,0,0,0,0|1,0,0]=3 207 B6R1.2 CC1=CNC=C1 M14657 [2,0,0,0,0,0|2,0,0]=4 208 B6R1.2 CC1=COC=N1 M13405 [2,0,0,0,0,0|2,0,0]=4 209 B6R1.2 CC1=CSC=N1 M24933 [2,0,0,0,0,0|2,0,0]=4 210 B6R1.2 CC1=NC=CS1 M40165 [2,0,0,0,0,0|1,0,0]=3 211 B6R1.2 CC1=NNC=C1 M36663 [2,0,0,0,0,0|2,0,0]=4 212 B6R1.2 CC1=NOC=C1 M40157 [2,0,0,0,0,0|2,0,0]=4 213 B6R1.2 CN1C=CC=N1 M12066 [2,0,0,0,0,0|2,0,0]=4 214 B6R1.2 ClC1=NC=CS1 C2694 [2,0,0,0,0,0|2,0,0]=4 215 B6R1.2 IC1=CC=CS1 K39149 [2,0,0,0,0,0|1,0,0]=3 216 B6R1.2 NC1=CC=NN1 P61114 [2,0,0,0,0,0|2,0,0]=4 217 B6R1.2 NC1=CC=NO1 X67704 [2,0,0,0,0,0|1,1,0]=4 218 B6R1.2 NC1=CC=NS1 T39909 [2,0,0,0,0,0|1,0,0]=3 219 B6R1.2 NC1=CN=CN1 I37101 [2,0,0,0,0,0|2,0,0]=4 220 B6R1.2 NC1=CN=CS1 T39907 [2,0,0,0,0,0|1,0,0]=3 221 B6R1.2 NC1=CN=NS1 T39765 [2,0,0,0,0,0|2,0,0]=4 222 B6R1.2 NC1=CNC=N1 I37475 [2,0,0,0,0,0|2,0,0]=4 223 B6R1.2 NC1=COC=N1 X36633 [2,0,0,0,0,0|2,0,0]=4 224 B6R1.2 NC1=CSC=C1 A40167 [2,0,0,0,0,0|2,0,0]=4 225 B6R1.2 NC1=CSC=C1 T10330 [2,0,0,0,0,0|2,0,0]=4 226 B6R1.2 NC1=CSC=C1 T64858 [2,0,0,0,0,0|2,0,0]=4 227 B6R1.2 NC1=CSC=N1 T39908 [2,0,0,0,0,0|2,0,0]=4 228 B6R1.2 NC1=NC=CN1 A28762 [2,0,0,0,0,0|2,0,0]=4 229 B6R1.2 NC1=NC=CN1 A39803 [2,0,0,0,0,0|2,0,0]=4 230 B6R1.2 NC1=NC=CO1 O5740 [2,0,0,0,0,0|1,1,0]=4 231 B6R1.2 NC1=NC=CS1 T39140 [2,0,0,0,0,0|1,0,0]=3 232 B6R1.2 NC1=NC=NS1 T39794 [2,0,0,0,0,0|2,0,0]=4 233 B6R1.2 NC1=NC=NS1 T39799 [2,0,0,0,0,0|2,0,0]=4 234 B6R1.2 NC1=NC=NS1 T61256 [2,0,0,0,0,0|2,0,0]=4 235 B6R1.2 NC1=NN=CS1 T69243 [2,0,0,0,0,0|2,0,0]=4 236 B6R1.2 NC1=NNC=C1 A1108 [2,0,0,0,0,0|2,0,0]=4 237 B6R1.2 NC1=NOC=C1 I0613 [2,0,0,0,0,0|2,0,0]=4 238 B6R1.2 NN1C=CC=C1 A7731 [2,0,0,0,0,0|2,0,0]=4 239 B6R1.2 OC1=NC=CS1 H39829 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.1 CC1=CC(CN)=NO1 M15781 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.1 CC1=CC=C(C#N)S1 M12843 [1,1,0,0,0,0|0,0,2]=4 242 B8R1.1 CC1=CC=C(C=O)S1 M39272 [1,1,0,0,0,0|1,0,1]=4 243 B8R1.1 CC1=CC=C(CN)O1 M37131 [1,1,0,0,0,0|0,1,0]=3 244 B8R1.1 CC1=CC=C(CO)O1 M43304 [1,1,0,0,0,0|1,1,0]=4 245 B8R1.1 CC1=CN=C(CO)S1 M41173 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.1 CC1=CSC(C=O)=C1 M42959 [1,1,0,0,0,0|1,0,1]=4 247 B8R1.1 CC1=CSC(CN)=N1 M64512 [1,1,0,0,0,0|1,0,0]=3 248 B8R1.1 CC1=NC(CN)=CO1 M41196 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.1 CC1=NC(CN)=CO1 M41310 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.1 CC1=NC=C(CBr)S1 B41111 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.1 CC1=NC=C(CN)O1 M41197 [1,1,0,0,0,0|1,1,0]=4 252 B8R1.1 CC1=NC=C(CO)S1 M1967 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.1 CC1=NOC(CN)=C1 M41364 [1,1,0,0,0,0|1,1,0]=4 254 B8R1.1 CCC1=CC(N)=NO1 E41190 [1,1,0,0,0,0|1,1,0]=4 255 B8R1.1 CCC1=CC=C(C)S1 E43745 [1,1,0,0,0,0|0,0,0]=2 256 B8R1.1 CCC1=CN=C(C)N1 E41428 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.1 CCC1=CN=C(N)S1 E41203 [1,1,0,0,0,0|1,0,0]=3 258 B8R1.1 CCC1=CN=C(N)S1 E69753 [1,1,0,0,0,0|1,0,0]=3 259 B8R1.1 CCC1=NC(C)=CS1 E43395 [1,1,0,0,0,0|1,0,0]=3 260 B8R1.1 CCC1=NNC(N)=C1 A9777 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.1 CCC1=NOC(N)=C1 E41189 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.1 CCN1C=C(Br)C=N1 B9823 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.1 CCN1C=C(N)C=N1 A12746 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.1 CN1C=CC(CN)=N1 M9952 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.1 CN1C=NC(CN)=C1 A11226 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.1 CN1C=NC(CN)=C1 A11227 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.1 CN1C=NC(CN)=C1 A29740 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.1 COC1=NC(Br)=CS1 B2259 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.1 COC1=NC=C(Br)S1 B2563 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.1 CSC1=CN=C(N)S1 M40191 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.1 CSC1=NC(Br)=CS1 T2262 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.1 ClCC1=CC=C(Cl)S1 C40699 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.1 ClCC1=CN=C(Cl)S1 C2059 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.1 N#CC1=CC(Br)=CS1 B12760 [1,1,0,0,0,0|0,0,2]=4 275 B8R1.1 N#CC1=CC(Cl)=CS1 C14085 [1,1,0,0,0,0|0,0,2]=4 276 B8R1.1 N#CC1=CC(N)=CS1 A63979 [1,1,0,0,0,0|0,0,2]=4 277 B8R1.1 N#CC1=CC=C(Br)S1 B7699 [1,1,0,0,0,0|0,0,2]=4 278 B8R1.1 N#CC1=CC=C(Cl)S1 C7716 [1,1,0,0,0,0|0,0,2]=4 279 B8R1.1 N#CC1=CC=C(F)S1 C7719 [1,1,0,0,0,0|0,0,2]=4 280 B8R1.1 N#CC1=CC=C(I)S1 K40542 [1,1,0,0,0,0|0,0,2]=4 281 B8R1.1 N#CC1=CC=C(N)S1 A40782 [1,1,0,0,0,0|0,0,2]=4 282 B8R1.1 NC1=NC=C(CO)S1 A40187 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.1 NCC1=CC(Br)=CS1 B41112 [1,1,0,0,0,0|0,0,0]=2 284 B8R1.1 NCC1=CC=C(Br)S1 A12757 [1,1,0,0,0,0|0,0,0]=2 285 B8R1.1 NCC1=CC=C(Cl)S1 A12836 [1,1,0,0,0,0|0,0,0]=2 286 B8R1.1 NCC1=CC=C(Cl)S1 C27089 [1,1,0,0,0,0|0,0,0]=2 287 B8R1.1 NCC1=CC=C(F)S1 F8124 [1,1,0,0,0,0|0,0,0]=2 288 B8R1.1 NCC1=CN=C(Cl)S1 C40120 [1,1,0,0,0,0|1,0,0]=3 289 B8R1.1 NCC1=CSC(Br)=C1 B16484 [1,1,0,0,0,0|2,0,0]=4 290 B8R1.1 NCC1=CSC(Cl)=C1 C7665 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.1 NCC1=NC=C(Br)S1 B10574 [1,1,0,0,0,0|1,0,0]=3 292 B8R1.1 NCC1=NC=C(Br)S1 B13057 [1,1,0,0,0,0|1,0,0]=3 293 B8R1.1 NCC1=NC=C(Cl)S1 C13932 [1,1,0,0,0,0|1,0,0]=3 294 B8R1.1 O=CC1=CC(Br)=CS1 B12758 [1,1,0,0,0,0|1,0,1]=4 295 B8R1.1 O=CC1=CC(Cl)=CS1 C12489 [1,1,0,0,0,0|1,0,1]=4 296 B8R1.1 O=CC1=CC(I)=CS1 K40696 [1,1,0,0,0,0|1,0,1]=4 297 B8R1.1 O=CC1=CC=C(Br)S1 B10476 [1,1,0,0,0,0|1,0,1]=4 298 B8R1.1 O=CC1=CC=C(Cl)S1 C7717 [1,1,0,0,0,0|1,0,1]=4 299 B8R1.1 OCC1=CC(Br)=CS1 B12759 [1,1,0,0,0,0|1,0,0]=3 300 B8R1.1 OCC1=CC(Cl)=CS1 C7722 [1,1,0,0,0,0|1,0,0]=3 301 B8R1.1 OCC1=CC=C(Br)S1 B12756 [1,1,0,0,0,0|1,0,0]=3 302 B8R1.1 OCC1=CC=C(Br)S1 B41016 [1,1,0,0,0,0|1,0,0]=3 303 B8R1.1 OCC1=CC=C(Cl)S1 C1567 [1,1,0,0,0,0|1,0,0]=3 304 B8R1.1 OCC1=CC=C(F)S1 F8123 [1,1,0,0,0,0|1,0,0]=3 305 B8R1.1 OCC1=CN=C(Br)S1 B2127 [1,1,0,0,0,0|2,0,0]=4 306 B8R1.1 OCC1=CN=C(Cl)S1 C2061 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.1 OCC1=NC(Br)=CS1 B10817 [1,1,0,0,0,0|2,0,0]=4 308 B8R1.1 OCC1=NC=C(Br)S1 B10575 [1,1,0,0,0,0|2,0,0]=4 309 B8R1.1 OCC1=NC=C(Cl)S1 C13054 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.7 CC(=O)C1=CC=CN1 P68619 [1,1,0,0,0,0|1,0,1]=4 311 B8R1.7 CC(=O)C1=CC=CS1 A69304 [1,1,0,0,0,0|0,0,1]=3 312 B8R1.7 CC(=O)C1=NC=CS1 A22587 [1,1,0,0,0,0|1,0,1]=4 313 B8R1.7 CC(C)C1=CC=CO1 P43710 [1,1,0,0,0,0|0,1,0]=3 314 B8R1.7 CC(C)C1=NC=CN1 P67407 [1,1,0,0,0,0|2,0,0]=4 315 B8R1.7 CC(C)C1=NNC=C1 P9834 [1,1,0,0,0,0|2,0,0]=4 316 B8R1.7 CC(C)N1C=CC=N1 P41426 [1,1,0,0,0,0|2,0,0]=4 317 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [1,1,0,0,0,0|0,0,0]=2 318 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [1,1,0,0,0,0|0,1,0]=3 319 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [1,1,0,0,0,0|0,0,0]=2 320 B8R1.7 C[C@H](N)C1=CN=CN1 K62106 [1,1,0,0,0,0|2,0,0]=4 321 B8R1.7 C[C@H](N)C1=CNC=N1 K41398 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.7 C[C@H](N)C1=NC=CS1 T41204 [1,1,0,0,0,0|1,0,0]=3 323 B8R1.7 C[C@H](N)C1=NC=CS1 T5352 [1,1,0,0,0,0|1,0,0]=3 324 B8R1.7 N=C(N)C1=NC=CS1 T8198 [1,1,0,0,0,0|1,0,1]=4 325 B8R1.7 NC(=O)C1=NC=CS1 T61005 [1,1,0,0,0,0|1,0,1]=4 326 B8R1.7 NC(=S)C1=CC=CS1 T41010 [1,1,0,0,0,0|0,0,1]=3 327 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [1,1,0,0,0,0|1,0,1]=4 328 B8R1.7 O=C(O)C1=CC=CS1 T69312 [1,1,0,0,0,0|1,0,1]=4 329 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [1,1,0,0,0,0|1,0,1]=4 330 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [1,1,0,0,0,0|1,0,1]=4 331 B8R1.11 CC1=C(C=O)SC=C1 M39271 [1,1,0,0,0,0|1,0,1]=4 332 B8R1.11 CCC1=NC=CN1C E46632 [1,1,0,0,0,0|2,0,0]=4 333 B8R1.11 CCN1N=CC=C1N E10472 [1,1,0,0,0,0|2,0,0]=4 334 B8R1.11 CN1C=CC=C1CN M41429 [1,1,0,0,0,0|1,0,0]=3 335 B8R1.11 CN1C=CN=C1CN A13925 [1,1,0,0,0,0|2,0,0]=4 336 B8R1.11 CN1C=NC=C1CN M1713 [1,1,0,0,0,0|2,0,0]=4 337 B8R1.11 CN1N=CC=C1CN M9954 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.11 N#CC1=C(Br)C=CS1 B9490 [1,1,0,0,0,0|0,0,2]=4 339 B8R1.11 N#CC1=C(Cl)C=CS1 C61406 [1,1,0,0,0,0|0,0,2]=4 340 B8R1.11 NCC1=C(Cl)C=CS1 A7919 [1,1,0,0,0,0|0,0,0]=2 341 B8R1.11 O=CC1=C(Br)C=CS1 B14081 [1,1,0,0,0,0|1,0,1]=4 342 B8R1.11 O=CC1=C(Cl)C=CS1 C14086 [1,1,0,0,0,0|1,0,1]=4 343 B8R1.11 OCC1=C(Br)C=CS1 B14083 [1,1,0,0,0,0|1,0,0]=3 344 B8R1.11 OCC1=C(Br)N=CS1 B38277 [1,1,0,0,0,0|2,0,0]=4 345 B8R1.11 OCC1=C(Cl)C=CS1 C11289 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [0,1,0,0,0,1|2,0,0]=4 348 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [0,1,0,0,0,1|2,0,0]=4 352 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [0,1,0,0,0,1|2,0,0]=4 353 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [0,1,0,0,0,1|2,0,0]=4 355 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [0,1,0,0,0,1|2,0,0]=4 356 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [0,1,0,0,0,1|1,0,0]=3 358 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [0,1,0,0,0,1|1,0,0]=3 359 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [0,1,0,0,0,1|1,0,0]=3 360 B10R1.1 NNCC1=CC=C(Br)C=C1 B0093 [0,1,0,0,0,1|2,0,0]=4 361 B10R1.1 NNCC1=CC=C(Br)C=C1 B12215 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.1 NNCC1=CC=C(Cl)C=C1 C0094 [0,1,0,0,0,1|2,0,0]=4 363 B10R1.1 NNCC1=CC=C(Cl)C=C1 C10206 [0,1,0,0,0,1|2,0,0]=4 364 B10R1.1 NNCC1=CC=C(F)C=C1 F0090 [0,1,0,0,0,1|2,0,0]=4 365 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [0,1,0,0,0,1|2,0,0]=4 366 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [0,1,0,0,0,1|2,0,0]=4 367 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [0,1,0,0,0,1|2,0,0]=4 368 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [0,1,0,0,0,1|2,0,0]=4 369 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [0,1,0,0,0,1|2,0,0]=4 370 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [0,1,0,0,0,1|2,0,0]=4 371 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [0,1,0,0,0,1|2,0,0]=4 375 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [0,1,0,0,0,1|2,0,0]=4 377 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [0,1,0,0,0,1|1,0,0]=3 378 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [0,1,0,0,0,1|1,0,0]=3 379 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [0,1,0,0,0,1|1,0,0]=3 380 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [0,1,0,0,0,1|1,0,0]=3 381 B10R1.4 NNCC1=C(Br)C=CC=C1 B10205 [0,1,0,0,0,1|2,0,0]=4 382 B10R1.4 NNCC1=C(Br)C=CC=C1 B7428 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.4 NNCC1=C(Cl)C=CC=C1 C10207 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.4 NNCC1=C(F)C=CC=C1 F0092 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.4 NNCC1=C(F)C=CC=C1 F7427 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [0,1,0,0,0,1|2,0,0]=4 392 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.10 NCCC1=CC(=O)NC=C1 A46457 [0,1,0,0,0,1|1,0,0]=3 395 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [0,1,0,0,0,1|1,0,0]=3 396 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [0,1,0,0,0,1|1,0,0]=3 397 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [0,1,0,0,0,1|1,0,0]=3 398 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [0,1,0,0,0,1|1,0,0]=3 399 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [0,1,0,0,0,1|1,0,0]=3 400 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [0,1,0,0,0,1|1,0,0]=3 401 B10R1.10 NNCC1=CC(Br)=CN=C1 B12725 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.10 NNCC1=CC=CC(Br)=C1 B12216 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.10 NNCC1=CC=CC(Cl)=C1 C12217 [0,1,0,0,0,1|2,0,0]=4 404 B10R1.10 NNCC1=CC=CC(Cl)=C1 C46306 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.10 NNCC1=CC=CC(F)=C1 F0091 [0,1,0,0,0,1|2,0,0]=4 406 B10R1.10 NNCC1=CC=CC(F)=C1 F10204 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [0,1,0,0,0,1|2,0,0]=4 412 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P14590 [0,1,0,0,0,1|2,0,0]=4 415 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P27649 [0,1,0,0,0,1|2,0,0]=4 416 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [0,1,0,0,0,1|1,0,0]=3 417 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [0,1,0,0,0,1|1,0,0]=3 418 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [0,1,0,0,0,1|1,0,0]=3 419 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [0,1,0,0,0,1|2,0,0]=4 420 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [0,1,0,0,0,1|1,0,0]=3 421 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [0,1,0,0,0,1|1,0,0]=3 422 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [0,1,0,0,0,1|1,0,0]=3 423 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [0,1,0,0,0,1|1,0,0]=3 424 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.17 CCCCC1=CC=NC=C1 B50306 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.17 CCCOC1=CC=CC=C1 P50263 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.17 CCNCC1=CC=CC=C1 B39547 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.17 CCNCC1=NC=CC=C1 P46970 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.17 CCOCC1=CC=CC=C1 E50267 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.17 CNCCC1=CC=CN=C1 M46974 [0,1,0,0,0,1|1,0,0]=3 439 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.17 NCCCC1=CC=NC=C1 P46966 [0,1,0,0,0,1|1,0,0]=3 442 B10R1.17 NCCNC1=CC=CC=C1 P61733 [0,1,0,0,0,1|1,0,0]=3 443 B10R1.17 NCCNC1=NC=CC=N1 P41447 [0,1,0,0,0,1|1,0,0]=3 444 B10R1.17 NCCOC1=CC=CC=C1 P46889 [0,1,0,0,0,1|1,0,0]=3 445 B10R1.17 NCCOC1=CC=NC=C1 P46588 [0,1,0,0,0,1|1,0,0]=3 446 B10R1.17 NCCOC1=NC=CC=C1 P43633 [0,1,0,0,0,1|1,0,0]=3 447 B10R1.17 OCCCC1=CC=NC=C1 P46905 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.17 OCCCC1=NC=CC=C1 P62447 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.17 OCCCC1=NC=CC=C1 P7829 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.17 OCCSC1=NC=CC=C1 P46439 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [0,1,0,0,0,1|1,0,1]=4 453 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [0,1,0,0,0,1|1,0,1]=4 454 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,1,0,0,0,1|1,0,1]=4 455 B10R1.18 NC(=O)CC1=NC=CC=N1 P43092 [0,1,0,0,0,1|1,0,1]=4 456 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 M49548 [0,2,0,0,0,0|1,1,0]=4 457 B10R1.11 N#CCC(=O)C1=CC=CS1 T12473 [0,2,0,0,0,0|0,0,2]=4 458 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 A11151 [0,2,0,0,0,0|1,0,1]=4 459 B10R1.21 CCCCCC1=CC=CS1 P50457 [0,2,0,0,0,0|1,0,0]=3 460 B10R1.21 NCCSCC1=CC=CO1 A3034 [0,2,0,0,0,0|0,1,0]=3 461 B10R1.27 N[C@H](CO)CC1=CNC=N1 A43557 [0,2,0,0,0,0|2,0,0]=4 462 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [0,2,0,0,0,0|2,0,0]=4 463 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [0,2,0,0,0,0|1,1,0]=4 464 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [0,2,0,0,0,0|1,0,0]=3 465 B10R1.187 NCCN1C(=O)C=CC1=O A46630 [0,2,0,0,0,0|2,0,0]=4 466 B8R1.2 NCC1=CC=CN=C1 A69257 [0,0,1,1,0,0|1,0,1]=4 467 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [0,0,0,1,0,1|2,0,0]=4 468 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [0,0,0,1,0,1|2,0,0]=4 469 B10R2.6 C1=CN=C(C2CC2)N=C1 C14647 [0,0,0,1,0,1|2,0,0]=4 470 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [0,0,0,1,0,1|2,0,0]=4 471 B10R2.7 C1=CC2=C(C=N1)NCC2 D36872 [0,0,0,1,0,1|1,0,0]=3 472 B10R2.7 C1=CC2=C(C=N1)NCC2 D46553 [0,0,0,1,0,1|1,0,0]=3 473 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [0,0,0,1,0,1|2,0,0]=4 474 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [0,0,0,1,0,1|1,0,0]=3 475 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [0,0,0,1,0,1|1,0,0]=3 476 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [0,0,0,1,0,1|2,0,0]=4 477 B10R2.2 O=C1NC2=C(N1)SC=C2 T40779 [0,1,0,1,0,0|1,0,1]=4 478 B10R2.14 NC1=NC=C(C2CC2)S1 C61896 [0,1,0,1,0,0|2,0,0]=4 479 B10R2.32 O=C1CCC2=C1C=CS2 D45612 [0,1,0,1,0,0|1,0,0]=3 480 B10R2.32 O=C1CCC2=C1SC=C2 C67539 [0,1,0,1,0,0|1,0,1]=4