0 B6R1.2 BrC1=CNN=N1 72040 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 BrC1=NC=CO1 N12756 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 BrC1=NNN=C1 D83972 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 BrC1=NSC=C1 27111 [0,0,0,0,0,0|2,1,0]=3 4 B6R1.2 CC1=CC=CN1 23756 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 CC1=CNC=C1 59365 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 CC1=CNN=C1 AT22811 [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 CC1=CNN=N1 27289 [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 CC1=COC=C1 W18310 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 CC1=NNN=C1 D94600 [0,0,0,0,0,0|4,0,0]=4 10 B6R1.2 CC1=NOC=C1 35767 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 ClC1=CN=NS1 F18162 [0,0,0,0,0,0|3,1,0]=4 12 B6R1.2 ClC1=NC=CN1 71370 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 ClC1=NN=CS1 F20631 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 FC1=CC=NN1 P13416 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 FC1=CN=CN1 71921 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 FC1=CNN=C1 89373 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 IC1=COCC1 P19286 [0,0,0,0,0,0|2,0,2]=4 18 B6R1.2 IC1=NC=CO1 38371 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 NC1=CC=NO1 AB9529 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 NC1=CC=NS1 S11666 [0,0,0,0,0,0|2,1,0]=3 21 B6R1.2 NC1=CN=CS1 52083 [0,0,0,0,0,0|3,1,0]=4 22 B6R1.2 NC1=CNC=C1 D82737 [0,0,0,0,0,0|3,0,0]=3 23 B6R1.2 NC1=CNC=N1 21115 [0,0,0,0,0,0|4,0,0]=4 24 B6R1.2 NC1=CNC=N1 52247 [0,0,0,0,0,0|4,0,0]=4 25 B6R1.2 NC1=CON=C1 F14139 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 NC1=CSC=C1 D77326 [0,0,0,0,0,0|2,1,0]=3 27 B6R1.2 NC1=CSN=C1 83206 [0,0,0,0,0,0|3,1,0]=4 28 B6R1.2 NC1=CSN=C1 85313 [0,0,0,0,0,0|3,1,0]=4 29 B6R1.2 NC1=NCCO1 53947 [0,0,0,0,0,0|3,0,1]=4 30 B6R1.2 NN1C=CN=C1 C76661 [0,0,0,0,0,0|4,0,0]=4 31 B6R1.2 NN1C=CN=C1 Y10352 [0,0,0,0,0,0|4,0,0]=4 32 B6R1.2 NN1C=CN=N1 D72001 [0,0,0,0,0,0|4,0,0]=4 33 B6R1.2 NN1C=CN=N1 D72012 [0,0,0,0,0,0|4,0,0]=4 34 B6R1.2 O=C1C=CCN1 AC1277 [0,0,0,0,0,0|2,0,0]=2 35 B6R1.2 O=C1CNCN1 25530 [0,0,0,0,0,0|3,0,1]=4 36 B6R1.2 OC1=CNN=C1 76131 [0,0,0,0,0,0|3,0,1]=4 37 B6R1.2 OC1=NC=CS1 25638 [0,0,0,0,0,0|2,1,1]=4 38 B6R1.2 OC1=NC=NN1 D82632 [0,0,0,0,0,0|3,0,1]=4 39 B6R1.2 OC1=NOC=C1 W15437 [0,0,0,0,0,0|1,0,1]=2 40 B6R1.2 SC1=CC=CS1 23061 [0,0,0,0,0,0|1,2,0]=3 41 B6R1.2 SC1=CSC=C1 79297 [0,0,0,0,0,0|1,2,0]=3 42 B5R1.1 C1=CCSC1 F20684 [1,0,0,0,0,0|1,1,1]=4 43 B5R1.1 C1=C[Se]C=C1 A12389 [1,0,0,0,0,0|1,1,0]=3 44 B7R1.1 BrCC1=CC=NO1 33595 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.1 BrCC1=CN=CO1 92893 [0,1,0,0,0,0|3,0,0]=4 46 B7R1.1 BrCC1=COC=N1 70925 [0,1,0,0,0,0|3,0,0]=4 47 B7R1.1 BrCC1=CON=C1 95088 [0,1,0,0,0,0|3,0,0]=4 48 B7R1.1 BrCC1=NC=CO1 92941 [0,1,0,0,0,0|3,0,0]=4 49 B7R1.1 BrCC1=NOC=C1 71749 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.1 C=CC1=CC=CS1 C10114 [0,1,0,0,0,0|2,1,0]=4 51 B7R1.1 C=CC1=NNC=C1 P13173 [0,1,0,0,0,0|3,0,0]=4 52 B7R1.1 CNC1=NC=CO1 71780 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.1 CNC1=NNC=C1 72540 [0,1,0,0,0,0|3,0,0]=4 54 B7R1.1 CNC1=NOC=C1 72015 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.1 CNC1=NOC=C1 72539 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.1 COC1=NNC=C1 D79536 [0,1,0,0,0,0|2,0,1]=4 57 B7R1.1 CSC1=NC=CO1 O10533 [0,1,0,0,0,0|2,1,0]=4 58 B7R1.1 ClCC1=CC=CS1 79790 [0,1,0,0,0,0|2,1,0]=4 59 B7R1.1 ClCC1=CC=NO1 33348 [0,1,0,0,0,0|2,0,0]=3 60 B7R1.1 ClCC1=CN=CO1 RB3366 [0,1,0,0,0,0|3,0,0]=4 61 B7R1.1 ClCC1=COC=N1 D97597 [0,1,0,0,0,0|3,0,0]=4 62 B7R1.1 ClCC1=NOC=C1 F13567 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.1 N#CC1=CC=NO1 F30844 [0,1,0,0,0,0|2,0,0]=3 64 B7R1.1 N#CC1=COC=N1 28409 [0,1,0,0,0,0|3,0,0]=4 65 B7R1.1 N#CC1=CON=C1 S11668 [0,1,0,0,0,0|3,0,0]=4 66 B7R1.1 N#CC1=NC=CO1 57346 [0,1,0,0,0,0|3,0,0]=4 67 B7R1.1 NCC1=CC=CN1 25931 [0,1,0,0,0,0|3,0,0]=4 68 B7R1.1 NCC1=CC=NO1 33343 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.1 NCC1=CC=NO1 33364 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.1 NCC1=CNC=C1 F12967 [0,1,0,0,0,0|3,0,0]=4 71 B7R1.1 NCC1=COC=N1 25090 [0,1,0,0,0,0|3,0,0]=4 72 B7R1.1 NCC1=CON=C1 55763 [0,1,0,0,0,0|3,0,0]=4 73 B7R1.1 NCC1=NNC=C1 36190 [0,1,0,0,0,0|3,0,0]=4 74 B7R1.1 NCC1=NOC=C1 W10075 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.1 NCC1=NOC=N1 72520 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.1 O=CC1=CC=C[Se]1 T72165 [0,1,0,0,0,0|1,1,0]=3 77 B7R1.1 O=CC1=CC=NS1 62852 [0,1,0,0,0,0|1,1,0]=3 78 B7R1.1 O=CC1=CCC=C1 77835 [0,1,0,0,0,0|2,0,0]=3 79 B7R1.1 O=CC1=CCCC1 26227 [0,1,0,0,0,0|2,0,1]=4 80 B7R1.1 O=CC1=CCCO1 D79895 [0,1,0,0,0,0|1,0,1]=3 81 B7R1.1 O=CC1=CN=CO1 39069 [0,1,0,0,0,0|2,0,0]=3 82 B7R1.1 O=CC1=CNN=N1 F13257 [0,1,0,0,0,0|3,0,0]=4 83 B7R1.1 O=CC1=CON=C1 95893 [0,1,0,0,0,0|2,0,0]=3 84 B7R1.1 O=CC1=NOC=C1 P10400 [0,1,0,0,0,0|1,0,0]=2 85 B7R1.1 OCC1=CC=NO1 33580 [0,1,0,0,0,0|1,0,1]=3 86 B7R1.1 OCC1=CC=NS1 53001 [0,1,0,0,0,0|1,1,1]=4 87 B7R1.1 OCC1=CON=C1 73633 [0,1,0,0,0,0|2,0,1]=4 88 B7R1.2 C=C1CCC(=O)O1 T71516 [0,1,0,0,0,0|1,0,2]=4 89 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,1,0,0,0,0|1,0,0]=2 90 B7R1.2 CC1=CC=C(Br)O1 C71939 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.2 CC1=CN=C(N)O1 80158 [0,1,0,0,0,0|3,0,0]=4 92 B7R1.2 CC1=CNC(=O)N1 O11257 [0,1,0,0,0,0|3,0,0]=4 93 B7R1.2 CC1=CNC(=O)S1 C90545 [0,1,0,0,0,0|2,1,0]=4 94 B7R1.2 CC1=COC(Br)=N1 S10976 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.2 CC1=COC(S)=N1 W16843 [0,1,0,0,0,0|2,1,0]=4 96 B7R1.2 CC1=CSC(Br)=C1 C15930 [0,1,0,0,0,0|2,1,0]=4 97 B7R1.2 CC1=CSC(C)=C1 O10605 [0,1,0,0,0,0|2,1,0]=4 98 B7R1.2 CC1=NC(=O)NN1 79696 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.2 CC1=NOC(N)=N1 AT13650 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.2 CC1=NOC(O)=N1 C90490 [0,1,0,0,0,0|2,0,1]=4 101 B7R1.2 CN1C=CC(N)=C1 O10425 [0,1,0,0,0,0|3,0,0]=4 102 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [0,1,0,0,0,0|1,0,0]=2 103 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,1,0,0,0,0|2,0,1]=4 104 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,1,0,0,0,0|2,0,1]=4 105 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,1,0,0,0,0|2,0,1]=4 106 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,1,0,0,0,0|2,0,1]=4 107 B7R1.2 NC1=CC(=O)CC1 90005 [0,1,0,0,0,0|2,0,0]=3 108 B7R1.2 NC1=CC(=O)NO1 D73552 [0,1,0,0,0,0|1,0,0]=2 109 B7R1.2 NC1=CC(N)=NN1 F12619 [0,1,0,0,0,0|3,0,0]=4 110 B7R1.2 NC1=NC(=O)CO1 C73385 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.2 NC1=NNC(Cl)=C1 P14071 [0,1,0,0,0,0|3,0,0]=4 112 B7R1.2 NC1=NNC(F)=C1 38194 [0,1,0,0,0,0|3,0,0]=4 113 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,1,0,0,0,0|1,0,2]=4 114 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,1,0,0,0,0|1,0,2]=4 115 B7R1.2 O=C1C=C(Br)CC1 W19329 [0,1,0,0,0,0|2,0,0]=3 116 B7R1.2 O=C1C=C(Br)CO1 W10959 [0,1,0,0,0,0|1,0,0]=2 117 B7R1.2 O=C1C=C(I)CC1 A12694 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.2 O=C1C=C(O)CO1 F21287 [0,1,0,0,0,0|1,0,0]=2 119 B7R1.2 O=C1C=C[C@@H](O)O1 F11119 [0,1,0,0,0,0|1,0,0]=2 120 B7R1.2 O=C1C=C[C@H](Br)O1 D96050 [0,1,0,0,0,0|1,0,0]=2 121 B7R1.2 O=C1CC(=O)NN1 A12550 [0,1,0,0,0,0|2,0,1]=4 122 B7R1.2 O=C1CNC(=O)C1 76756 [0,1,0,0,0,0|2,0,1]=4 123 B7R1.2 O=C1COC(=O)N1 F20602 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,1,0,0,0,0|1,0,2]=4 125 B7R1.2 OC1=CC=C(Br)S1 C72253 [0,1,0,0,0,0|1,1,1]=4 126 B7R1.2 OC1=NSC(Cl)=C1 O11410 [0,1,0,0,0,0|1,1,1]=4 127 B7R1.4 BrC1=C(I)SC=C1 C75822 [0,1,0,0,0,0|2,1,0]=4 128 B7R1.4 BrC1=NNC=C1I 39127 [0,1,0,0,0,0|3,0,0]=4 129 B7R1.4 CC1=C(Br)C=NO1 F19689 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.4 CC1=C(C)NC=C1 F20873 [0,1,0,0,0,0|3,0,0]=4 131 B7R1.4 CC1=C(N)C=NO1 D82481 [0,1,0,0,0,0|2,0,0]=3 132 B7R1.4 CC1=C(N)ON=C1 C74807 [0,1,0,0,0,0|2,0,0]=3 133 B7R1.4 CC1=CCOC1=O T72100 [0,1,0,0,0,0|1,0,0]=2 134 B7R1.4 CC1=CNN=C1N 52526 [0,1,0,0,0,0|3,0,0]=4 135 B7R1.4 CC1=CON=C1N 72247 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.4 CC1=CSC=C1N P10841 [0,1,0,0,0,0|2,1,0]=4 137 B7R1.4 CC1=NOC=C1N O11036 [0,1,0,0,0,0|2,0,0]=3 138 B7R1.4 CC1=NON=C1N F14552 [0,1,0,0,0,0|3,0,0]=4 139 B7R1.4 CC1=NSC=C1Br 20343 [0,1,0,0,0,0|2,1,0]=4 140 B7R1.4 CC1=NSC=C1N 75880 [0,1,0,0,0,0|2,1,0]=4 141 B7R1.4 CN1C=CNC1=O F12570 [0,1,0,0,0,0|3,0,0]=4 142 B7R1.4 FC1=CNN=C1Br P18733 [0,1,0,0,0,0|3,0,0]=4 143 B7R1.4 NC1=CNN=C1Br C72502 [0,1,0,0,0,0|3,0,0]=4 144 B7R1.4 NC1=CNN=C1Cl F14377 [0,1,0,0,0,0|3,0,0]=4 145 B7R1.4 NC1=CSC=C1Br P15392 [0,1,0,0,0,0|2,1,0]=4 146 B7R1.4 NC1=NNC=C1Cl F17330 [0,1,0,0,0,0|3,0,0]=4 147 B7R1.4 NN1CCOC1=O S10190 [0,1,0,0,0,0|2,0,1]=4 148 B7R1.4 N[C@H]1CONC1=O FD3007 [0,1,0,0,0,0|1,0,2]=4 149 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,1,0,0,0,0|1,0,2]=4 150 B5R0.1 C=C(C)CON F31248 [0,0,1,0,0,0|3,0,0]=4 151 B5R0.1 O=C(O)\C=C\Br AC1121 [0,0,1,0,0,0|1,0,0]=2 152 B5R0.1 O=C(O)\C=C\I W15430 [0,0,1,0,0,0|1,0,0]=2 153 B5R0.2 O=CCCCO 55817 [0,0,1,0,0,0|1,0,2]=4 154 B5R0.3 C=C[C@@H](N)CO 52208 [0,0,1,0,0,0|2,0,1]=4 155 B5R0.3 C=C[C@@H](N)CO 52209 [0,0,1,0,0,0|2,0,1]=4 156 B5R0.3 C=C[C@@H](N)CO 52211 [0,0,1,0,0,0|2,0,1]=4 157 B5R0.3 C=C[C@@H](O)CO 56500 [0,0,1,0,0,0|1,0,2]=4 158 B5R0.3 C=C[C@H](C)ON F31247 [0,0,1,0,0,0|2,0,1]=4 159 B5R1.2 C=C1COC1 P17999 [0,0,0,0,1,0|2,0,1]=4 160 B7R1.3 BrC1=CCOCC1 C90119 [0,0,0,0,0,1|2,0,1]=4 161 B7R1.3 BrC1=CN=NC=C1 85151 [0,0,0,0,0,1|3,0,0]=4 162 B7R1.3 BrC1=NC=NC=C1 54642 [0,0,0,0,0,1|3,0,0]=4 163 B7R1.3 BrC1=NC=NC=C1 54644 [0,0,0,0,0,1|3,0,0]=4 164 B7R1.3 CC1=NC=CN=N1 C74235 [0,0,0,0,0,1|3,0,0]=4 165 B7R1.3 ClC1=CN=CC=C1 P19758 [0,0,0,0,0,1|3,0,0]=4 166 B7R1.3 ClC1=NN=CC=C1 57588 [0,0,0,0,0,1|3,0,0]=4 167 B7R1.3 NC1=CC=CC=C1 T70935 [0,0,0,0,0,1|3,0,0]=4 168 B7R1.3 NC1=CC=CC=C1 T71037 [0,0,0,0,0,1|3,0,0]=4 169 B7R1.3 O=C1C=CCCN1 88830 [0,0,0,0,0,1|2,0,0]=3 170 B7R1.3 O=C1C=CCOC1 O10790 [0,0,0,0,0,1|1,0,0]=2 171 B7R1.3 O=C1C=CNN=C1 D87946 [0,0,0,0,0,1|2,0,0]=3 172 B7R1.3 O=C1CNCCO1 RB3226 [0,0,0,0,0,1|1,0,2]=4 173 B7R1.3 SC1=NC=CN=C1 F16108 [0,0,0,0,0,1|2,1,0]=4 174 B4R0.1 NCC(=O)O A10882 [1,0,1,0,0,0|1,0,1]=4 175 B4R0.1 NCC(=O)O T72551 [1,0,1,0,0,0|1,0,1]=4 176 B4R0.2 C=C\C=C/C T71862 [1,0,1,0,0,0|2,0,0]=4 177 B4R0.2 N\C=C\C=O W10858 [1,0,1,0,0,0|1,0,0]=3 178 B6R0.1 C=C=CC(=O)OC F20885 [0,1,1,0,0,0|1,0,1]=4 179 B6R0.1 COC(=O)\C=C\I C10406 [0,1,1,0,0,0|1,0,0]=3 180 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [0,1,1,0,0,0|1,0,1]=4 181 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [0,1,1,0,0,0|1,0,1]=4 182 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [0,1,1,0,0,0|1,0,1]=4 183 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [0,1,1,0,0,0|1,0,1]=4 184 B6R0.2 C[C@H](O)CC(=O)O C10552 [0,1,1,0,0,0|0,0,2]=4 185 B6R0.2 NC(=O)CC(=O)O F20599 [0,1,1,0,0,0|0,0,2]=4 186 B6R0.3 C=C(CBr)C(=O)O 74879 [0,1,1,0,0,0|1,0,1]=4 187 B6R0.3 C=C[C@H](C)C(=O)O T72590 [0,1,1,0,0,0|1,0,1]=4 188 B6R0.3 C=C[C@H](N)C(=O)O 33352 [0,1,1,0,0,0|1,0,1]=4 189 B6R0.3 C=C[C@H](N)C(=O)O 39549 [0,1,1,0,0,0|1,0,1]=4 190 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [0,1,1,0,0,0|0,0,2]=4 191 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [0,1,1,0,0,0|0,0,2]=4 192 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [0,1,1,0,0,0|0,0,2]=4 193 B6R0.4 COC=CC(=O)O D97266 [0,1,1,0,0,0|0,0,0]=2 194 B6R0.4 O=C(O)\C=C\CCl 11303 [0,1,1,0,0,0|1,0,0]=3 195 B6R1.4 C[C@@H]1OCC1=O P16003 [0,1,0,0,1,0|1,0,1]=4 196 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [0,1,0,0,1,0|0,0,2]=4 197 B8R1.2 O=CC1=NC=NC=C1 26359 [0,1,0,0,0,1|2,0,0]=4 198 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,1,0,0,0,1|2,0,0]=4 199 B8R1.3 NC1=NNC(=O)C=C1 A11691 [0,1,0,0,0,1|2,0,0]=4 200 B8R1.3 O=C1C=C[C@@H](O)OC1 SC1227 [0,1,0,0,0,1|1,0,0]=3 201 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,1,0,0,0,1|1,0,1]=4 202 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,1,0,0,0,1|1,0,0]=3 203 B8R1.4 CC1=CN=NC(=O)C1 78530 [0,1,0,0,0,1|2,0,0]=4 204 B8R1.4 NC1=CC(=O)COC1 P18321 [0,1,0,0,0,1|1,0,0]=3 205 B8R1.4 O=C1C=C(Br)NC=N1 F10443 [0,1,0,0,0,1|2,0,0]=4 206 B8R1.4 O=C1COCC(=O)N1 AR2999 [0,1,0,0,0,1|1,0,1]=4 207 B8R1.4 O=C1N=C(Br)C=CN1 D96558 [0,1,0,0,0,1|2,0,0]=4 208 B8R1.4 O=C1[CH-]C(=O)COC1 I11592 [0,1,0,0,0,1|1,0,1]=4 209 B8R1.5 O=C1NC=CNC1=O W18441 [0,1,0,0,0,1|2,0,0]=4 210 B8R1.5 O=C1NC=NC=C1O 25860 [0,1,0,0,0,1|2,0,0]=4 211 B8R1.5 O=C1NC=NC=C1O C73082 [0,1,0,0,0,1|2,0,0]=4 212 B8R1.1 CC1=CC(C=O)=CS1 P15425 [0,2,0,0,0,0|1,1,0]=4 213 B8R1.1 CC1=CC(CBr)=NO1 F30090 [0,2,0,0,0,0|2,0,0]=4 214 B8R1.1 CC1=CC(CCl)=NO1 71171 [0,2,0,0,0,0|2,0,0]=4 215 B8R1.1 CC1=CC=C(C=O)N1 29847 [0,2,0,0,0,0|2,0,0]=4 216 B8R1.1 CC1=CNC(C=O)=C1 D84258 [0,2,0,0,0,0|2,0,0]=4 217 B8R1.1 CC1=COC(C=O)=N1 P10997 [0,2,0,0,0,0|2,0,0]=4 218 B8R1.1 CC1=NC(C=O)=NO1 F13848 [0,2,0,0,0,0|2,0,0]=4 219 B8R1.1 CC1=NC=C(C=O)O1 C10143 [0,2,0,0,0,0|2,0,0]=4 220 B8R1.1 CC1=NOC(CBr)=C1 C15689 [0,2,0,0,0,0|2,0,0]=4 221 B8R1.1 CC1=NOC(CN)=C1 20228 [0,2,0,0,0,0|2,0,0]=4 222 B8R1.1 CCC1=CC(N)=NO1 71263 [0,2,0,0,0,0|2,0,0]=4 223 B8R1.1 CCC1=CC(O)=NO1 AC2644 [0,2,0,0,0,0|1,0,1]=4 224 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,2,0,0,0,0|2,0,0]=4 225 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [0,2,0,0,0,0|2,0,0]=4 226 B8R1.1 CNC1=NOC(C)=C1 AT19776 [0,2,0,0,0,0|2,0,0]=4 227 B8R1.1 COC1=CC(=O)CC1 63697 [0,2,0,0,0,0|2,0,0]=4 228 B8R1.1 COC1=NOC(N)=C1 D82563 [0,2,0,0,0,0|1,0,1]=4 229 B8R1.1 N#CC1=CC=C(Br)O1 C75300 [0,2,0,0,0,0|2,0,0]=4 230 B8R1.1 O=CC1=CC(Br)=NO1 69281 [0,2,0,0,0,0|1,0,0]=3 231 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [0,2,0,0,0,0|1,1,0]=4 232 B8R1.1 O=CC1=CC=C(Br)N1 O11353 [0,2,0,0,0,0|2,0,0]=4 233 B8R1.1 O=CC1=CC=C(Cl)N1 D95169 [0,2,0,0,0,0|2,0,0]=4 234 B8R1.1 O=CC1=CNC(Br)=C1 F13792 [0,2,0,0,0,0|2,0,0]=4 235 B8R1.1 O=CC1=COC(Br)=N1 AT11059 [0,2,0,0,0,0|2,0,0]=4 236 B8R1.1 O=CC1=CSC(Br)=C1 P10686 [0,2,0,0,0,0|1,1,0]=4 237 B8R1.1 O=CC1=CSC(Cl)=C1 37628 [0,2,0,0,0,0|1,1,0]=4 238 B8R1.1 OCC1=CC(Br)=NO1 69279 [0,2,0,0,0,0|1,0,1]=4 239 B8R1.7 CC(=O)C1=CC=NO1 I11392 [0,2,0,0,0,0|1,0,0]=3 240 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [0,2,0,0,0,0|1,0,0]=3 241 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,2,0,0,0,0|1,1,0]=4 242 B8R1.7 CC(=O)C1=NC=CO1 33464 [0,2,0,0,0,0|2,0,0]=4 243 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,2,0,0,0,0|1,0,0]=3 244 B8R1.7 CC(C)C1=CC=CO1 81450 [0,2,0,0,0,0|2,0,0]=4 245 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,2,0,0,0,0|2,0,0]=4 246 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,2,0,0,0,0|2,0,0]=4 247 B8R1.7 NC(=O)C1=CC=NO1 F30843 [0,2,0,0,0,0|1,0,0]=3 248 B8R1.7 NC(=O)C1=CN=CO1 78451 [0,2,0,0,0,0|2,0,0]=4 249 B8R1.7 NC(=O)C1=COC=N1 35847 [0,2,0,0,0,0|2,0,0]=4 250 B8R1.7 NC(=O)C1=NSC=C1 F14137 [0,2,0,0,0,0|1,1,0]=4 251 B8R1.7 O=C(O)C1=NOC=N1 AC6968 [0,2,0,0,0,0|2,0,0]=4 252 B8R1.7 O=C(O)C1=NSC=C1 83207 [0,2,0,0,0,0|1,1,0]=4 253 B8R1.7 O=[N+]([O-])C1=CC=CN1 26912 [0,2,0,0,0,0|2,0,0]=4 254 B8R1.7 O=[N+]([O-])C1=CNC=C1 29669 [0,2,0,0,0,0|2,0,0]=4 255 B8R1.7 O=[N+]([O-])C1=CON=C1 27176 [0,2,0,0,0,0|2,0,0]=4 256 B8R1.8 CNCC1=CC=NO1 27030 [0,2,0,0,0,0|2,0,0]=4 257 B8R1.8 CNCC1=COC=C1 AC5678 [0,2,0,0,0,0|2,0,0]=4 258 B8R1.8 O=C=NC1=CSC=C1 30314 [0,2,0,0,0,0|1,1,0]=4 259 B8R1.8 OCCC1=CC=CO1 W10532 [0,2,0,0,0,0|1,0,1]=4 260 B8R1.8 OCCC1=COC=C1 D93026 [0,2,0,0,0,0|1,0,1]=4 261 B8R1.11 CC1=C(C=O)OC=N1 AT18679 [0,2,0,0,0,0|2,0,0]=4 262 B8R1.11 CC1=C(CO)C=CO1 30727 [0,2,0,0,0,0|1,0,1]=4 263 B8R1.11 CC1=C(CO)C=NO1 72237 [0,2,0,0,0,0|2,0,0]=4 264 B8R1.11 CC1=CON=C1C=O W10337 [0,2,0,0,0,0|1,0,0]=3 265 B8R1.11 CC1=CON=C1CN AT25740 [0,2,0,0,0,0|2,0,0]=4 266 B8R1.11 CC1=CSC=C1C=O P16095 [0,2,0,0,0,0|1,1,0]=4 267 B8R1.11 CC1=NOC=C1CN 72854 [0,2,0,0,0,0|2,0,0]=4 268 B8R1.11 CC1=NOC=C1CN N10525 [0,2,0,0,0,0|2,0,0]=4 269 B8R1.11 N#CC1=C(N)OC=C1 80800 [0,2,0,0,0,0|2,0,0]=4 270 B8R1.11 N#CC1=C(N)ON=C1 FD13120 [0,2,0,0,0,0|2,0,0]=4 271 B8R1.11 O=C1CCC=C1CO E70389 [0,2,0,0,0,0|2,0,0]=4 272 B8R1.11 O=CC1=C(Br)C=CN1 P11326 [0,2,0,0,0,0|2,0,0]=4 273 B8R1.11 O=CC1=C(Br)C=NN1 F13682 [0,2,0,0,0,0|2,0,0]=4 274 B8R1.11 O=CC1=C(Br)SC=C1 57105 [0,2,0,0,0,0|1,1,0]=4 275 B8R1.11 O=CC1=C(Cl)C=NN1 D86408 [0,2,0,0,0,0|2,0,0]=4 276 B8R1.11 O=CC1=C(Cl)SC=C1 A11316 [0,2,0,0,0,0|1,1,0]=4 277 B8R1.11 O=CC1=C(I)SC=C1 C73596 [0,2,0,0,0,0|1,1,0]=4 278 B8R1.11 O=CC1=NSC=C1Br AT21087 [0,2,0,0,0,0|1,1,0]=4 279 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,2,0,0,0,0|2,0,0]=4 280 B8R1.18 CC1=C[C@@H](O)OC1=O C77517 [0,2,0,0,0,0|1,0,0]=3 281 B8R1.18 CC1=C[C@H](Cl)OC1=O F17135 [0,2,0,0,0,0|1,0,0]=3 282 B8R1.18 CN1NC(=O)C=C1N P19144 [0,2,0,0,0,0|2,0,0]=4 283 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C75058 [0,2,0,0,0,0|1,0,0]=3 284 B8R1.50 CC1=C(Br)C(=O)NN1 C77007 [0,2,0,0,0,0|2,0,0]=4 285 B8R1.50 CC1=C(Br)COC1=O W19136 [0,2,0,0,0,0|1,0,0]=3 286 B8R1.50 CC1=NOC(C)=C1O AT19674 [0,2,0,0,0,0|2,0,0]=4 287 B8R1.50 CC1=NOC(N)=C1Cl 70875 [0,2,0,0,0,0|2,0,0]=4 288 B8R1.51 CC1(C)C=CC(=O)C1 S10959 [0,2,0,0,0,0|2,0,0]=4