0 B7R1.1 BrCC1=CC=NO1 33595 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.1 BrCC1=CN=CO1 92893 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.1 BrCC1=COC=N1 70925 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 BrCC1=CSC=N1 73558 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.1 BrCC1=NC=CO1 92941 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.1 BrCC1=NC=CS1 73557 [0,0,0,0,0,0|2,1,1]=4 6 B7R1.1 BrCC1=NOC=C1 71749 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.1 C=CC1=CC=CS1 C10114 [0,0,0,0,0,0|1,1,0]=2 8 B7R1.1 C=CC1=CN=CN1 D82417 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 C=CC1=NNC=C1 P13173 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.1 CCC1=NN=CO1 C10407 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.1 CNC1=NC=CO1 71780 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.1 CNC1=NC=CS1 26158 [0,0,0,0,0,0|3,1,0]=4 13 B7R1.1 CNC1=NNC=C1 72540 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.1 CNC1=NOC=C1 72015 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 CNC1=NOC=C1 72539 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.1 COC1=NNC=C1 D79536 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.1 CSC1=CN=CN1 W17049 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.1 CSC1=NC=CN1 AC1458 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.1 CSC1=NC=CO1 O10533 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.1 ClCC1=CC=CS1 79790 [0,0,0,0,0,0|1,1,1]=3 21 B7R1.1 ClCC1=CC=NO1 33348 [0,0,0,0,0,0|2,0,1]=3 22 B7R1.1 ClCC1=CN=CO1 RB3366 [0,0,0,0,0,0|2,0,1]=3 23 B7R1.1 ClCC1=COC=N1 D97597 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.1 ClCC1=NC=CS1 BL005472 [0,0,0,0,0,0|2,1,1]=4 25 B7R1.1 ClCC1=NOC=C1 F13567 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.1 N#CC1=CC=NO1 F30844 [0,0,0,0,0,0|2,0,1]=3 27 B7R1.1 N#CC1=COC=N1 28409 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.1 N#CC1=NC=CO1 57346 [0,0,0,0,0,0|2,0,1]=3 29 B7R1.1 NCC1=CC=CN1 25931 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.1 NCC1=CC=NO1 33343 [0,0,0,0,0,0|2,0,1]=3 31 B7R1.1 NCC1=CC=NO1 33364 [0,0,0,0,0,0|2,0,1]=3 32 B7R1.1 NCC1=CN=CS1 24148 [0,0,0,0,0,0|2,1,1]=4 33 B7R1.1 NCC1=CNC=C1 F12967 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.1 NCC1=CNC=N1 26566 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.1 NCC1=COC=N1 25090 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.1 NCC1=CSC=N1 24147 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.1 NCC1=CSC=N1 Y14444 [0,0,0,0,0,0|3,0,1]=4 38 B7R1.1 NCC1=NC=CN1 C72548 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.1 NCC1=NN=CO1 S11004 [0,0,0,0,0,0|3,0,1]=4 40 B7R1.1 NCC1=NNC=C1 36190 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.1 NCC1=NOC=C1 W10075 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.1 NNC1=NC=CS1 C74550 [0,0,0,0,0,0|3,1,0]=4 43 B7R1.1 O=CC1=CC=C[Se]1 T72165 [0,0,0,0,0,0|0,1,0]=1 44 B7R1.1 O=CC1=CC=NS1 62852 [0,0,0,0,0,0|1,1,0]=2 45 B7R1.1 O=CC1=CCC=C1 77835 [0,0,0,0,0,0|1,0,1]=2 46 B7R1.1 O=CC1=CCCC1 26227 [0,0,0,0,0,0|1,0,2]=3 47 B7R1.1 O=CC1=CCCO1 D79895 [0,0,0,0,0,0|0,0,2]=2 48 B7R1.1 O=CC1=CN=CO1 39069 [0,0,0,0,0,0|1,0,0]=1 49 B7R1.1 O=CC1=CNN=N1 F13257 [0,0,0,0,0,0|3,0,0]=3 50 B7R1.1 O=CC1=CON=C1 95893 [0,0,0,0,0,0|3,0,0]=3 51 B7R1.1 O=CC1=NOC=C1 P10400 [0,0,0,0,0,0|2,0,0]=2 52 B7R1.1 OCC1=CC=NO1 33580 [0,0,0,0,0,0|1,0,2]=3 53 B7R1.1 OCC1=CC=NS1 53001 [0,0,0,0,0,0|1,1,2]=4 54 B6R1.2 BrC1=NC=CO1 N12756 [1,0,0,0,0,0|2,0,0]=3 55 B6R1.2 BrC1=NSC=C1 27111 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 CC1=CC=CN1 23756 [1,0,0,0,0,0|1,0,1]=3 57 B6R1.2 CC1=CNC=C1 59365 [1,0,0,0,0,0|2,0,1]=4 58 B6R1.2 CC1=COC=C1 W18310 [1,0,0,0,0,0|2,0,1]=4 59 B6R1.2 CC1=NOC=C1 35767 [1,0,0,0,0,0|2,0,1]=4 60 B6R1.2 ClC1=NC=CN1 71370 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 FC1=CC=NN1 P13416 [1,0,0,0,0,0|3,0,0]=4 62 B6R1.2 FC1=CN=CN1 71921 [1,0,0,0,0,0|3,0,0]=4 63 B6R1.2 IC1=NC=CO1 38371 [1,0,0,0,0,0|2,0,0]=3 64 B6R1.2 NC1=CC=NO1 AB9529 [1,0,0,0,0,0|2,0,0]=3 65 B6R1.2 NC1=CC=NS1 S11666 [1,0,0,0,0,0|2,1,0]=4 66 B6R1.2 NC1=CN=CS1 52083 [1,0,0,0,0,0|2,1,0]=4 67 B6R1.2 NC1=CNC=C1 D82737 [1,0,0,0,0,0|3,0,0]=4 68 B6R1.2 NC1=CNC=N1 21115 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 NC1=CNC=N1 52247 [1,0,0,0,0,0|3,0,0]=4 70 B6R1.2 NC1=CSC=C1 D77326 [1,0,0,0,0,0|3,0,0]=4 71 B6R1.2 O=C1C=CCN1 AC1277 [1,0,0,0,0,0|1,0,1]=3 72 B6R1.2 OC1=NC=CS1 25638 [1,0,0,0,0,0|1,1,1]=4 73 B6R1.2 OC1=NOC=C1 W15437 [1,0,0,0,0,0|2,0,1]=4 74 B6R1.2 SC1=CC=CS1 23061 [1,0,0,0,0,0|0,2,0]=3 75 B6R1.2 SC1=CSC=C1 79297 [1,0,0,0,0,0|2,1,0]=4 76 B8R1.1 CC1=CC(C=O)=CS1 P15425 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.1 CC1=CC=C(C=O)N1 29847 [0,1,0,0,0,0|1,0,0]=2 78 B8R1.1 CC1=CC=C(CN)S1 71266 [0,1,0,0,0,0|1,1,1]=4 79 B8R1.1 CC1=CC=C(CO)S1 W10513 [0,1,0,0,0,0|0,1,2]=4 80 B8R1.1 CC1=CN=C(C=O)S1 25174 [0,1,0,0,0,0|1,1,0]=3 81 B8R1.1 CC1=CNC(C=O)=C1 D84258 [0,1,0,0,0,0|1,0,0]=2 82 B8R1.1 CC1=CNC(C=O)=N1 23109 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.1 CC1=COC(C=O)=N1 P10997 [0,1,0,0,0,0|1,0,0]=2 84 B8R1.1 CC1=NC(C=O)=NO1 F13848 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.1 CC1=NC=C(C=O)O1 C10143 [0,1,0,0,0,0|1,0,0]=2 86 B8R1.1 CC1=NN=C(C=O)N1 AC2083 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.1 CC1=NN=C(C=O)S1 Y10085 [0,1,0,0,0,0|2,1,0]=4 88 B8R1.1 CC1=NOC(CBr)=C1 C15689 [0,1,0,0,0,0|2,0,1]=4 89 B8R1.1 CC1=NOC(CN)=C1 20228 [0,1,0,0,0,0|2,0,1]=4 90 B8R1.1 CCC1=CC(N)=NO1 71263 [0,1,0,0,0,0|2,0,1]=4 91 B8R1.1 CCC1=CC(O)=NO1 AC2644 [0,1,0,0,0,0|2,0,1]=4 92 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,1,0,0,0,0|1,0,1]=3 93 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.1 CN1C=NC(C=O)=N1 D82935 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.1 N#CC1=CC(Br)=CN1 D73299 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.1 N#CC1=CC(Cl)=CS1 P12196 [0,1,0,0,0,0|1,1,1]=4 97 B8R1.1 N#CC1=CC(N)=CS1 C76356 [0,1,0,0,0,0|1,1,1]=4 98 B8R1.1 N#CC1=CC=C(Br)N1 D82532 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.1 N#CC1=CC=C(Br)O1 C75300 [0,1,0,0,0,0|1,0,1]=3 100 B8R1.1 N#CC1=CC=C(F)S1 37626 [0,1,0,0,0,0|1,1,1]=4 101 B8R1.1 N#CC1=CC=C(I)S1 C73627 [0,1,0,0,0,0|1,1,1]=4 102 B8R1.1 N#CC1=CC=C(N)S1 53143 [0,1,0,0,0,0|1,1,1]=4 103 B8R1.1 NCC1=CC(Cl)=CS1 P12197 [0,1,0,0,0,0|1,1,1]=4 104 B8R1.1 NCC1=CC=C(Br)S1 P15264 [0,1,0,0,0,0|1,1,1]=4 105 B8R1.1 NCC1=CC=C(Cl)S1 P10560 [0,1,0,0,0,0|1,1,1]=4 106 B8R1.1 O=CC1=CC(Br)=NO1 69281 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [0,1,0,0,0,0|0,1,0]=2 108 B8R1.1 O=CC1=CC=C(Br)N1 O11353 [0,1,0,0,0,0|1,0,0]=2 109 B8R1.1 O=CC1=CC=C(Cl)N1 D95169 [0,1,0,0,0,0|1,0,0]=2 110 B8R1.1 O=CC1=CNC(Br)=C1 F13792 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.1 O=CC1=COC(Br)=N1 AT11059 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.1 O=CC1=CSC(Br)=C1 P10686 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.1 O=CC1=CSC(Cl)=C1 37628 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.1 O=CC1=CSC(Cl)=N1 25211 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.1 O=CC1=NC=C(Cl)S1 38230 [0,1,0,0,0,0|1,1,0]=3 116 B8R1.1 O=CC1=NN=C(Cl)S1 Y11504 [0,1,0,0,0,0|2,1,0]=4 117 B8R1.1 OCC1=CC(Br)=NO1 69279 [0,1,0,0,0,0|1,0,2]=4 118 B8R1.7 CC(=O)C1=CC=NO1 I11392 [0,1,0,0,0,0|1,0,0]=2 119 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [0,1,0,0,0,0|1,0,0]=2 120 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,1,0,0,0,0|1,1,0]=3 121 B8R1.7 CC(=O)C1=CN=CS1 66660 [0,1,0,0,0,0|1,1,0]=3 122 B8R1.7 CC(=O)C1=CN=NS1 66662 [0,1,0,0,0,0|2,1,0]=4 123 B8R1.7 CC(=O)C1=CNN=C1 50308 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.7 CC(=O)C1=NC=CO1 33464 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.7 CC(C)C1=CC=CO1 81450 [0,1,0,0,0,0|1,0,1]=3 127 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,1,0,0,0,0|1,0,1]=3 128 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,1,0,0,0,0|1,0,1]=3 129 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [0,1,0,0,0,0|1,1,1]=4 130 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [0,1,0,0,0,0|1,1,1]=4 131 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [0,1,0,0,0,0|1,1,1]=4 132 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [0,1,0,0,0,0|1,1,1]=4 133 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [0,1,0,0,0,0|1,1,1]=4 134 B8R1.7 C[C@H](N)C1=NC=CO1 33710 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.7 N=C(N)C1=CC=CS1 C15965 [0,1,0,0,0,0|1,1,0]=3 136 B8R1.7 N=C(N)C1=NC=CN1 P15305 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.7 N=C(N)C1=NC=CN1 P19492 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.7 NC(=O)C1=CC=NO1 F30843 [0,1,0,0,0,0|1,0,0]=2 139 B8R1.7 NC(=O)C1=CN=CO1 78451 [0,1,0,0,0,0|1,0,0]=2 140 B8R1.7 NC(=O)C1=CN=CS1 D79735 [0,1,0,0,0,0|1,1,0]=3 141 B8R1.7 NC(=O)C1=COC=N1 35847 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.7 NC(=O)C1=NC=CS1 A10602 [0,1,0,0,0,0|1,1,0]=3 143 B8R1.7 NC(=O)C1=NSC=C1 F14137 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.7 NC(=S)C1=COC=N1 24414 [0,1,0,0,0,0|2,1,0]=4 145 B8R1.7 O=C(Cl)N1C=CC=N1 72878 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.7 O=C(O)C1=CN=NN1 28556 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.7 O=C(O)C1=CSN=C1 83094 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.7 O=C(O)C1=NNN=C1 O10789 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.7 O=C(O)C1=NOC=N1 AC6968 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.7 O=C(O)C1=NSC=C1 83207 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.7 O=C(O)C1=NSN=C1 F16493 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.7 O=[N+]([O-])C1=CC=CN1 26912 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.7 O=[N+]([O-])C1=CNC=C1 29669 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.8 CNCC1=CC=NO1 27030 [0,1,0,0,0,0|2,0,1]=4 155 B8R1.8 NCCC1=CC=CN1 31556 [0,1,0,0,0,0|2,0,1]=4 156 B8R1.8 NCCC1=CC=CN1 F10331 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.8 O=C=NC1=CSC=C1 30314 [0,1,0,0,0,0|2,0,1]=4 158 B8R1.8 OCCC1=CC=CN1 AB10351 [0,1,0,0,0,0|1,0,2]=4 159 B8R1.8 OCCC1=CC=CO1 W10532 [0,1,0,0,0,0|0,0,2]=3 160 B8R1.11 C=CC1=NC=CN1C D84862 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.11 CC1=C(C#N)OC=N1 79144 [0,1,0,0,0,0|2,0,1]=4 162 B8R1.11 CC1=C(C=O)N=CS1 F12255 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.11 CC1=C(C=O)OC=N1 AT18679 [0,1,0,0,0,0|1,0,0]=2 164 B8R1.11 CC1=CON=C1C=O W10337 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.11 CC1=CSC=C1C=O P16095 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.11 CN1C=CC=C1CN 88916 [0,1,0,0,0,0|2,0,1]=4 167 B8R1.11 CN1C=CC=C1CO D82110 [0,1,0,0,0,0|1,0,2]=4 168 B8R1.11 CN1N=CN=C1C=O 97733 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.11 CN1N=NC=C1C=O 92411 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.11 N#CC1=C(F)C=CS1 D76349 [0,1,0,0,0,0|1,1,1]=4 171 B8R1.11 N#CC1=C(N)C=CS1 50755 [0,1,0,0,0,0|1,1,1]=4 172 B8R1.11 NC1=C(CO)SC=C1 70866 [0,1,0,0,0,0|0,1,2]=4 173 B8R1.11 NCC1=C(Cl)C=CS1 38405 [0,1,0,0,0,0|1,1,1]=4 174 B8R1.11 O=CC1=C(Br)C=CN1 P11326 [0,1,0,0,0,0|1,0,0]=2 175 B8R1.11 O=CC1=C(Br)C=NN1 F13682 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.11 O=CC1=C(Br)N=CS1 88252 [0,1,0,0,0,0|1,1,0]=3 177 B8R1.11 O=CC1=C(Br)NC=N1 C75380 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.11 O=CC1=C(Br)SC=C1 57105 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.11 O=CC1=C(Cl)C=NN1 D86408 [0,1,0,0,0,0|2,0,0]=3 180 B8R1.11 O=CC1=C(Cl)N=CS1 27650 [0,1,0,0,0,0|1,1,0]=3 181 B8R1.11 O=CC1=C(Cl)SC=C1 A11316 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.11 O=CC1=C(I)SC=C1 C73596 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.11 O=CC1=NSC=C1Br AT21087 [0,1,0,0,0,0|2,0,0]=3 184 B8R1.2 BrCC1=NC=CN=C1 31757 [0,0,0,0,0,1|2,0,1]=4 185 B8R1.2 BrCC1=NC=NC=C1 Y10744 [0,0,0,0,0,1|2,0,1]=4 186 B8R1.2 BrCC1=NN=CC=C1 27114 [0,0,0,0,0,1|2,0,1]=4 187 B8R1.2 C#CC1=NC=CN=C1 P11646 [0,0,0,0,0,1|2,0,1]=4 188 B8R1.2 CCC1=NC=NC=C1 F17281 [0,0,0,0,0,1|2,0,1]=4 189 B8R1.2 CNC1=NC=NC=C1 W10133 [0,0,0,0,0,1|3,0,0]=4 190 B8R1.2 COC1=NC=NC=C1 T72699 [0,0,0,0,0,1|3,0,0]=4 191 B8R1.2 ClCC1=NC=CN=C1 37060 [0,0,0,0,0,1|2,0,1]=4 192 B8R1.2 ClCC1=NN=CC=C1 37063 [0,0,0,0,0,1|2,0,1]=4 193 B8R1.2 N#CC1=NC=CC=C1 D77869 [0,0,0,0,0,1|2,0,1]=4 194 B8R1.2 N#CC1=NN=CC=C1 82702 [0,0,0,0,0,1|2,0,1]=4 195 B8R1.2 NCC1=CC=CC=C1 RB3068 [0,0,0,0,0,1|2,0,1]=4 196 B8R1.2 NCC1=CC=CN=N1 36976 [0,0,0,0,0,1|2,0,1]=4 197 B8R1.2 NCC1=CC=CN=N1 AT13034 [0,0,0,0,0,1|2,0,1]=4 198 B8R1.2 NCC1=CC=CN=N1 P15536 [0,0,0,0,0,1|2,0,1]=4 199 B8R1.2 NCC1=CC=NC=C1 35876 [0,0,0,0,0,1|2,0,1]=4 200 B8R1.2 NCC1=NC=CN=C1 67569 [0,0,0,0,0,1|2,0,1]=4 201 B8R1.2 NNC1=CC=CN=C1 S12141 [0,0,0,0,0,1|3,0,0]=4 202 B8R1.2 NNC1=NC=NC=C1 N12626 [0,0,0,0,0,1|3,0,0]=4 203 B8R1.2 O=CC1=NC=NC=C1 26359 [0,0,0,0,0,1|1,0,0]=2 204 B8R1.2 SCC1=CC=NC=C1 F18336 [0,0,0,0,0,1|1,1,1]=4 205 B8R1.2 SCC1=CN=CC=C1 F18343 [0,0,0,0,0,1|1,1,1]=4 206 B8R1.2 SCC1=NC=CC=C1 Y10072 [0,0,0,0,0,1|1,1,1]=4 207 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [0,0,0,0,0,1|3,0,0]=4 208 B5R0.1 O=C(O)\C=C\Br AC1121 [1,0,1,0,0,0|1,0,0]=3 209 B5R0.1 O=C(O)\C=C\I W15430 [1,0,1,0,0,0|1,0,0]=3 210 B5R1.1 C1=C[Se]C=C1 A12389 [2,0,0,0,0,0|0,1,0]=3 211 B7R0.4 C\C=C/C=C/C(=O)O D86563 [0,1,1,0,0,0|1,0,0]=3 212 B7R1.2 C=C1CCC(=O)O1 T71516 [1,1,0,0,0,0|0,0,2]=4 213 B7R1.2 CC1=CC(=O)CO1 Y10351 [1,1,0,0,0,0|0,0,2]=4 214 B7R1.2 CC1=CC=C(Br)O1 C71939 [1,1,0,0,0,0|0,0,1]=3 215 B7R1.2 CC1=CN=C(N)O1 80158 [1,1,0,0,0,0|1,0,1]=4 216 B7R1.2 CC1=CNC(=O)N1 O11257 [1,1,0,0,0,0|2,0,0]=4 217 B7R1.2 CC1=CNC(=O)S1 C90545 [1,1,0,0,0,0|1,1,0]=4 218 B7R1.2 CC1=COC(Br)=N1 S10976 [1,1,0,0,0,0|2,0,0]=4 219 B7R1.2 CC1=COC(S)=N1 W16843 [1,1,0,0,0,0|1,1,0]=4 220 B7R1.2 CC1=CSC(Br)=C1 C15930 [1,1,0,0,0,0|1,1,0]=4 221 B7R1.2 CC1=CSC(C)=C1 O10605 [1,1,0,0,0,0|0,1,1]=4 222 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [1,1,0,0,0,0|0,0,1]=3 223 B7R1.2 NC1=CC(=O)CC1 90005 [1,1,0,0,0,0|1,0,1]=4 224 B7R1.2 NC1=CC(=O)NO1 D73552 [1,1,0,0,0,0|2,0,0]=4 225 B7R1.2 O=C1C=C(Br)CC1 W19329 [1,1,0,0,0,0|1,0,1]=4 226 B7R1.2 O=C1C=C(Br)CO1 W10959 [1,1,0,0,0,0|0,0,1]=3 227 B7R1.2 O=C1C=C(I)CC1 A12694 [1,1,0,0,0,0|1,0,1]=4 228 B7R1.2 O=C1C=C(O)CO1 F21287 [1,1,0,0,0,0|0,0,1]=3 229 B7R1.2 O=C1C=C[C@@H](O)O1 F11119 [1,1,0,0,0,0|0,0,1]=3 230 B7R1.2 O=C1C=C[C@H](Br)O1 D96050 [1,1,0,0,0,0|0,0,1]=3 231 B7R1.2 O=C1COC(=O)N1 F20602 [1,1,0,0,0,0|1,0,1]=4 232 B7R1.2 OC1=CC=C(Br)S1 C72253 [1,1,0,0,0,0|0,1,1]=4 233 B7R1.4 BrC1=C(I)SC=C1 C75822 [1,1,0,0,0,0|1,1,0]=4 234 B7R1.4 CC1=C(Br)C=NO1 F19689 [1,1,0,0,0,0|1,0,1]=4 235 B7R1.4 CC1=C(C)NC=C1 F20873 [1,1,0,0,0,0|1,0,1]=4 236 B7R1.4 CC1=C(N)C=NO1 D82481 [1,1,0,0,0,0|1,0,1]=4 237 B7R1.4 CC1=C(N)ON=C1 C74807 [1,1,0,0,0,0|2,0,0]=4 238 B7R1.4 CC1=CCOC1=O T72100 [1,1,0,0,0,0|0,0,1]=3 239 B7R1.4 CN1C=CNC1=O F12570 [1,1,0,0,0,0|2,0,0]=4 240 B7R1.18 O=C(O)C1=CCC1 P16818 [0,1,0,0,1,0|0,0,2]=4 241 B9R1.1 C=CC1=CN=C(Cl)C=C1 F13416 [0,1,0,0,0,1|2,0,0]=4 242 B9R1.1 C=CC1=NC=C(Cl)C=C1 P17531 [0,1,0,0,0,1|2,0,0]=4 243 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [0,1,0,0,0,1|1,0,0]=3 244 B9R1.1 C[N+]1=CC=C(C=O)C=C1 D95156 [0,1,0,0,0,1|1,0,0]=3 245 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [0,1,0,0,0,1|1,0,0]=3 246 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [0,1,0,0,0,1|1,0,0]=3 247 B9R1.1 O=CC1=CN=C(O)N=C1 86751 [0,1,0,0,0,1|2,0,0]=4 248 B9R1.1 O=CC1=NC=C(Cl)C=N1 P10946 [0,1,0,0,0,1|1,0,0]=3 249 B9R1.1 O=CC1=NN=C(Br)C=C1 P20764 [0,1,0,0,0,1|1,0,0]=3 250 B9R1.1 O=CC1=NN=C(Cl)C=C1 25514 [0,1,0,0,0,1|1,0,0]=3 251 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [0,1,0,0,0,1|1,0,0]=3 252 B9R1.2 C=CC1=CC(Br)=CN=C1 50995 [0,1,0,0,0,1|2,0,0]=4 253 B9R1.2 C=CC1=CC(Br)=NC=C1 60113 [0,1,0,0,0,1|2,0,0]=4 254 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [0,1,0,0,0,1|2,0,0]=4 255 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [0,1,0,0,0,1|2,0,0]=4 256 B9R1.2 C=CC1=CC=CC(Br)=N1 27481 [0,1,0,0,0,1|2,0,0]=4 257 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [0,1,0,0,0,1|2,0,0]=4 258 B9R1.2 C=CC1=NC=CC(Br)=C1 C75345 [0,1,0,0,0,1|2,0,0]=4 259 B9R1.2 C=CC1=NC=CC(Cl)=C1 C77362 [0,1,0,0,0,1|2,0,0]=4 260 B9R1.2 C=CC1=NC=CC(N)=C1 D82535 [0,1,0,0,0,1|2,0,0]=4 261 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [0,1,0,0,0,1|1,0,0]=3 262 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [0,1,0,0,0,1|1,0,0]=3 263 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [0,1,0,0,0,1|1,0,0]=3 264 B9R1.2 O=CC1=CC(Br)=NC=N1 D70857 [0,1,0,0,0,1|1,0,0]=3 265 B9R1.2 O=CC1=CC=CC(=O)N1 N12900 [0,1,0,0,0,1|1,0,0]=3 266 B9R1.2 O=CC1=CC=NC(Cl)=N1 P10948 [0,1,0,0,0,1|1,0,0]=3 267 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [0,1,0,0,0,1|1,0,0]=3 268 B9R1.2 O=CC1=C[N+]([O-])=CC=C1 O11007 [0,1,0,0,0,1|1,0,0]=3 269 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [0,1,0,0,0,1|1,0,0]=3 270 B9R1.2 O=CC1=NC=NC(O)=C1 82364 [0,1,0,0,0,1|1,0,0]=3 271 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [0,1,0,0,0,1|2,0,0]=4 272 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [0,1,0,0,0,1|1,0,0]=3 273 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [0,1,0,0,0,1|2,0,0]=4 274 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [0,1,0,0,0,1|2,0,0]=4 275 B9R1.6 N=C(N)C1=NC=CC=N1 D74674 [0,1,0,0,0,1|2,0,0]=4 276 B9R1.6 NC(=O)C1=CN=CN=C1 F13864 [0,1,0,0,0,1|2,0,0]=4 277 B9R1.6 NC(=O)C1=CN=NC=C1 F14288 [0,1,0,0,0,1|2,0,0]=4 278 B9R1.6 NC(=O)C1=NC=NC=C1 C74468 [0,1,0,0,0,1|1,0,0]=3 279 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [0,1,0,0,0,1|1,0,0]=3 280 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [0,1,0,0,0,1|1,0,0]=3 281 B9R1.6 O=C([O-])C1=NC=CC=N1 65419 [0,1,0,0,0,1|1,0,0]=3 282 B9R1.6 O=C([O-])C1=NN=CC=N1 67095 [0,1,0,0,0,1|2,0,0]=4 283 B9R1.6 O=[S@]([O-])C1=NC=CC=C1 AT11818 [0,1,0,0,0,1|2,0,0]=4 284 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [0,1,0,0,0,1|2,0,0]=4 285 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [0,1,0,0,0,1|1,0,1]=4 286 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [0,1,0,0,0,1|2,0,0]=4 287 B9R1.15 C=CC1=CC=CN=C1Br 83953 [0,1,0,0,0,1|2,0,0]=4 288 B9R1.15 C=CC1=CC=CN=C1C P11579 [0,1,0,0,0,1|2,0,0]=4 289 B9R1.15 CC1=C(C=O)C=CN=C1 AB10090 [0,1,0,0,0,1|1,0,0]=3 290 B9R1.15 CC1=NC=CN=C1C=O 30985 [0,1,0,0,0,1|1,0,0]=3 291 B9R1.15 NC1=C(C=O)C=NC=N1 66183 [0,1,0,0,0,1|2,0,0]=4 292 B9R1.15 NC1=CC=CN=C1C=O 80155 [0,1,0,0,0,1|1,0,0]=3 293 B9R1.15 NC1=NC=CN=C1C=O 27460 [0,1,0,0,0,1|1,0,0]=3 294 B9R1.15 O=CC1=C(Br)C=CN=C1 P16584 [0,1,0,0,0,1|1,0,0]=3 295 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [0,1,0,0,0,1|1,0,0]=3 296 B9R1.15 O=CC1=C(O)C=CN=C1 P10968 [0,1,0,0,0,1|1,0,0]=3 297 B9R1.15 O=CC1=C(O)C=NC=C1 25615 [0,1,0,0,0,1|1,0,0]=3 298 B9R1.15 O=CC1=NC=CN=C1Br P14054 [0,1,0,0,0,1|1,0,0]=3 299 B9R1.15 O=CC1=NC=CN=C1Cl P10456 [0,1,0,0,0,1|1,0,0]=3 300 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,2,0,0,0,0|0,0,2]=4 301 B9R1.21 C#CC1=CSC(C=O)=C1 A12932 [0,2,0,0,0,0|0,1,0]=3 302 B9R1.21 CCC1=CSC(C=O)=N1 H10618 [0,2,0,0,0,0|1,1,0]=4 303 B9R1.21 CCC1=NC=C(C=O)N1 AT15333 [0,2,0,0,0,0|2,0,0]=4 304 B9R1.21 CCC1=NC=C(C=O)S1 O10772 [0,2,0,0,0,0|1,1,0]=4 305 B9R1.21 CCC1=NOC(C=O)=C1 D79227 [0,2,0,0,0,0|1,0,0]=3 306 B9R1.21 CCN1C=NC(C=O)=C1 AT15572 [0,2,0,0,0,0|2,0,0]=4 307 B9R1.21 CSC1=CC=C(CO)O1 D93647 [0,2,0,0,0,0|0,0,2]=4 308 B9R1.21 N#CC1=CC=C(C#N)O1 D83197 [0,2,0,0,0,0|1,0,1]=4 309 B9R1.21 N#CC1=CC=C(CBr)O1 D94913 [0,2,0,0,0,0|1,0,1]=4 310 B9R1.21 N#CC1=CC=C(CN)O1 AT17204 [0,2,0,0,0,0|1,0,1]=4 311 B9R1.21 O=CC1=CC=C(CBr)O1 N16894 [0,2,0,0,0,0|0,0,0]=2 312 B9R1.21 O=CC1=CC=C(CO)N1 O11303 [0,2,0,0,0,0|1,0,0]=3 313 B9R1.21 O=CC1=CSC(C=O)=C1 O12151 [0,2,0,0,0,0|0,1,0]=3 314 B9R1.22 CC1=C(C=O)N=C(Br)O1 D97290 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.22 CC1=C(C=O)N=C(N)S1 C75286 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.22 CC1=C(C=O)SC(Br)=N1 C77197 [0,2,0,0,0,0|1,1,0]=4 317 B9R1.22 CN1C=C(Br)N=C1C=O W16940 [0,2,0,0,0,0|2,0,0]=4 318 B9R1.22 O=CC1=C(Cl)NC(=O)S1 F20156 [0,2,0,0,0,0|1,1,0]=4 319 B9R1.22 O=CC1=C(Cl)SC(Cl)=C1 26316 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.23 O=CC1=CC(Br)=C(Br)S1 D77762 [0,2,0,0,0,0|0,1,0]=3 321 B9R1.35 CC(=O)C1=CN=C(Cl)S1 F13142 [0,2,0,0,0,0|1,1,0]=4 322 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.35 CC(=O)C1=CSC(Br)=C1 25953 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.35 CC(=O)C1=CSC(Br)=N1 51523 [0,2,0,0,0,0|2,0,0]=4 325 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,2,0,0,0,0|2,0,0]=4 326 B9R1.35 CC(=O)C1=CSC(Cl)=C1 37629 [0,2,0,0,0,0|2,0,0]=4 327 B9R1.35 CC(=O)C1=CSC(N)=N1 35110 [0,2,0,0,0,0|2,0,0]=4 328 B9R1.35 CC(=O)C1=NC(Br)=CS1 C15281 [0,2,0,0,0,0|1,1,0]=4 329 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,2,0,0,0,0|1,0,0]=3 330 B9R1.35 CC(=O)C1=NC=C(Br)S1 P10802 [0,2,0,0,0,0|1,1,0]=4 331 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,2,0,0,0,0|1,1,0]=4 332 B9R1.35 CC(=O)C1=NC=C(Cl)S1 P10801 [0,2,0,0,0,0|1,1,0]=4 333 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,2,0,0,0,0|2,0,0]=4 334 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [0,2,0,0,0,0|2,0,0]=4 335 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,2,0,0,0,0|2,0,0]=4 336 B9R1.35 CC(=O)C1=NOC(N)=C1 88477 [0,2,0,0,0,0|2,0,0]=4 337 B9R1.35 CC(=O)N1C=CC(=O)N1 C76740 [0,2,0,0,0,0|2,0,0]=4 338 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,2,0,0,0,0|2,0,0]=4 339 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [0,2,0,0,0,0|2,0,0]=4 340 B9R1.35 CC1=CN=C(C(=O)[O-])O1 P15538 [0,2,0,0,0,0|1,0,0]=3 341 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,2,0,0,0,0|2,0,0]=4 342 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,2,0,0,0,0|2,0,0]=4 343 B9R1.35 CC1=NC(C(N)=O)=CO1 D72598 [0,2,0,0,0,0|2,0,0]=4 344 B9R1.35 CC1=NC(C(N)=O)=CS1 F19208 [0,2,0,0,0,0|2,0,0]=4 345 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,2,0,0,0,0|1,0,0]=3 346 B9R1.35 CC1=NOC(C(=O)[O-])=N1 80103 [0,2,0,0,0,0|2,0,0]=4 347 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,2,0,0,0,0|2,0,0]=4 348 B9R1.35 CN1C=CC(C(N)=O)=N1 Y10580 [0,2,0,0,0,0|2,0,0]=4 349 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11515 [0,2,0,0,0,0|1,0,1]=4 350 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y13452 [0,2,0,0,0,0|1,0,1]=4 351 B9R1.35 NC(=O)C1=CC(Br)=CN1 C73743 [0,2,0,0,0,0|1,0,0]=3 352 B9R1.35 NC(=O)C1=CC(Br)=CO1 C77306 [0,2,0,0,0,0|0,0,0]=2 353 B9R1.35 NC(=O)C1=CC=C(Br)N1 38755 [0,2,0,0,0,0|1,0,0]=3 354 B9R1.35 NC(=O)C1=CC=C(N)S1 C90315 [0,2,0,0,0,0|0,1,0]=3 355 B9R1.35 NC(=O)C1=CN=C(Br)S1 S10763 [0,2,0,0,0,0|1,1,0]=4 356 B9R1.35 NC(=O)C1=COC(Cl)=N1 D94445 [0,2,0,0,0,0|2,0,0]=4 357 B9R1.35 NC(=O)C1=NC(Br)=CN1 D94566 [0,2,0,0,0,0|2,0,0]=4 358 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [0,2,0,0,0,0|1,0,0]=3 359 B9R1.35 NC1=CNC(C(=O)O)=N1 D94530 [0,2,0,0,0,0|2,0,0]=4 360 B9R1.35 NC1=NC(C(=O)O)=CN1 F14481 [0,2,0,0,0,0|2,0,0]=4 361 B9R1.35 NC1=NC(C(=O)O)=CO1 38367 [0,2,0,0,0,0|2,0,0]=4 362 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [0,2,0,0,0,0|0,0,0]=2 363 B9R1.35 O=C(O)C1=CC(Br)=NN1 D80317 [0,2,0,0,0,0|2,0,0]=4 364 B9R1.35 O=C(O)C1=CC(Br)=NO1 69280 [0,2,0,0,0,0|1,0,0]=3 365 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [0,2,0,0,0,0|0,1,0]=3 366 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [0,2,0,0,0,0|0,1,0]=3 367 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [0,2,0,0,0,0|1,0,0]=3 368 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,2,0,0,0,0|0,1,0]=3 369 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,2,0,0,0,0|0,1,0]=3 370 B9R1.35 O=C(O)C1=CNC(Cl)=C1 72647 [0,2,0,0,0,0|2,0,0]=4 371 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y10043 [0,2,0,0,0,0|2,0,0]=4 372 B9R1.35 O=C(O)C1=COC(I)=N1 D95450 [0,2,0,0,0,0|2,0,0]=4 373 B9R1.35 O=C(O)C1=CSC(Cl)=C1 24618 [0,2,0,0,0,0|2,0,0]=4 374 B9R1.35 O=C(O)C1=NC=C(Br)S1 FD9045 [0,2,0,0,0,0|1,1,0]=4 375 B9R1.35 O=C(O)C1=NC=C(Cl)S1 P10902 [0,2,0,0,0,0|1,1,0]=4 376 B9R1.35 O=C(O)C1=NNC(Cl)=C1 20415 [0,2,0,0,0,0|2,0,0]=4 377 B9R1.35 O=C(O)C1=NNC(O)=C1 C77021 [0,2,0,0,0,0|2,0,0]=4 378 B9R1.35 O=C(O)C1=NOC(Cl)=C1 D80865 [0,2,0,0,0,0|2,0,0]=4 379 B9R1.35 O=[N+]([O-])C1=CC(Br)=CS1 W17186 [0,2,0,0,0,0|1,1,0]=4 380 B9R1.35 O=[N+]([O-])C1=CC=C(Br)O1 AC1555 [0,2,0,0,0,0|1,0,0]=3 381 B9R1.132 CC1=C(C=O)N=CN1C 25051 [0,2,0,0,0,0|2,0,0]=4 382 B9R1.132 CC1=CNC(C=O)=C1C 39169 [0,2,0,0,0,0|1,0,0]=3 383 B9R1.132 CC1=CSC(C=O)=C1Cl W10338 [0,2,0,0,0,0|0,1,0]=3 384 B9R1.132 CC1=NC=C(C=O)N1C C15385 [0,2,0,0,0,0|2,0,0]=4 385 B9R1.132 CN1C(Br)=CC=C1C=O O11356 [0,2,0,0,0,0|1,0,0]=3 386 B9R1.132 CN1C(Br)=CN=C1C=O P17173 [0,2,0,0,0,0|2,0,0]=4 387 B9R1.132 O=CC1=C(Br)C(Br)=CS1 C10593 [0,2,0,0,0,0|0,1,0]=3 388 B9R1.11 CCC(=O)C1=CNC=N1 D93407 [0,2,0,0,0,0|2,0,0]=4 389 B9R1.11 CCC(=O)C1=COC=C1 N14291 [0,2,0,0,0,0|2,0,0]=4 390 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [0,2,0,0,0,0|1,1,0]=4 391 B9R1.11 CC[C@H](N)C1=CC=CO1 N16694 [0,2,0,0,0,0|1,0,1]=4 392 B9R1.11 CNC(=O)C1=CN=CN1 P16942 [0,2,0,0,0,0|2,0,0]=4 393 B9R1.11 COC(=O)C1=CC=NS1 62854 [0,2,0,0,0,0|1,1,0]=4 394 B9R1.11 COC(=O)C1=COC=N1 22956 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.11 COC(=O)C1=NC=CO1 C74629 [0,2,0,0,0,0|1,0,0]=3 396 B9R1.11 NNC(=O)C1=CN=CO1 D79940 [0,2,0,0,0,0|1,0,0]=3 397 B9R1.11 NNC(=O)C1=CN=CS1 D79739 [0,2,0,0,0,0|1,1,0]=4 398 B9R1.11 NNC(=O)C1=NC=CS1 78397 [0,2,0,0,0,0|1,1,0]=4 399 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [0,2,0,0,0,0|0,0,0]=2 400 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [0,2,0,0,0,0|0,0,0]=2 401 B9R1.11 O=CC(=O)C1=CC=CO1 D94856 [0,2,0,0,0,0|0,0,0]=2 402 B9R1.11 OC[C@H](O)C1=CC=CO1 I11131 [0,2,0,0,0,0|0,0,2]=4 403 B9R1.19 O=S(=O)(O)C1=CC=CS1 C76553 [0,2,0,0,0,0|1,1,0]=4 404 B9R1.41 CC(=O)C1=C(C)SC=N1 C72473 [0,2,0,0,0,0|2,0,0]=4 405 B9R1.41 CC(=O)C1=CN=CN1C W13364 [0,2,0,0,0,0|2,0,0]=4 406 B9R1.41 CC(=O)C1=CNC=C1C W17613 [0,2,0,0,0,0|2,0,0]=4 407 B9R1.41 CC(=O)C1=NC=CN1C 38319 [0,2,0,0,0,0|2,0,0]=4 408 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [0,2,0,0,0,0|2,0,0]=4 409 B9R1.41 CN1C=NC=C1C(=O)Cl 64255 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.41 CN1N=CC=C1C(=O)Cl 79490 [0,2,0,0,0,0|2,0,0]=4 411 B9R1.41 CN1N=CC=C1C(N)=O D86182 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.41 NC(=O)C1=C(N)C=NN1 54585 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.41 NC(=O)C1=C(N)NC=N1 C13072 [0,2,0,0,0,0|2,0,0]=4 414 B9R1.41 NC(=O)C1=C(N)SC=N1 SC3371 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.41 NC(=O)C1=CC=CN1N P15055 [0,2,0,0,0,0|1,0,0]=3 416 B9R1.41 NC(=O)C1=CN=CN1N P18323 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.41 NC(=O)C1=NNC=C1Br 25218 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [0,2,0,0,0,0|1,0,0]=3 419 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [0,2,0,0,0,0|0,0,0]=2 420 B9R1.41 O=C(O)C1=C(Br)N=CS1 88253 [0,2,0,0,0,0|1,1,0]=4 421 B9R1.41 O=C(O)C1=C(Br)NC=N1 D86912 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.41 O=C(O)C1=C(Cl)C=NN1 W10253 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.41 O=C(O)C1=C(Cl)C=NS1 S11450 [0,2,0,0,0,0|1,1,0]=4 424 B9R1.41 O=C(O)C1=C(Cl)OC=C1 W18500 [0,2,0,0,0,0|2,0,0]=4 425 B9R1.41 O=C(O)C1=C(Cl)SC=C1 27789 [0,2,0,0,0,0|2,0,0]=4 426 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [0,2,0,0,0,0|1,0,0]=3 427 B9R1.41 O=C(O)C1=C(I)SC=C1 A11648 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [0,2,0,0,0,0|0,1,0]=3 429 B9R1.41 O=C(O)C1=NNC=C1Cl 24966 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.41 O=C(O)C1=NNC=C1F C91234 [0,2,0,0,0,0|2,0,0]=4 431 B9R1.12 CCNCC1=CC=CO1 C77903 [0,2,0,0,0,0|1,0,1]=4 432 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [0,2,0,0,0,0|0,1,0]=3 433 B9R1.13 O=C(O)CC1=CC=CN1 29609 [0,2,0,0,0,0|1,0,0]=3 434 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [0,2,0,0,0,0|0,0,0]=2 435 B9R1.13 O=C(O)CC1=CC=NO1 AC1452 [0,2,0,0,0,0|1,0,0]=3 436 B9R1.13 O=C(O)CC1=CCC=C1 78226 [0,2,0,0,0,0|1,0,1]=4 437 B9R1.13 O=C(O)CC1=CN=CS1 P10574 [0,2,0,0,0,0|1,1,0]=4 438 B9R1.13 O=C(O)CC1=CNC=C1 65416 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.13 O=C(O)CC1=CNC=N1 C16158 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.13 O=C(O)CC1=NC=CN1 F17266 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.13 O=C(O)CC1=NC=CS1 26228 [0,2,0,0,0,0|1,1,0]=4 442 B9R1.13 O=C(O)CC1=NNC=C1 71426 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.13 O=C(O)CC1=NOC=C1 Y10092 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.14 CCN1C=NC=C1C=O C73658 [0,2,0,0,0,0|2,0,0]=4 445 B9R1.14 CCN1C=NC=C1C=O S10760 [0,2,0,0,0,0|2,0,0]=4 446 B9R1.14 COC1=C(C=O)OC=C1 65862 [0,2,0,0,0,0|0,0,0]=2 447 B9R1.14 N#CC1=C(C=O)NC=C1 C75638 [0,2,0,0,0,0|1,0,0]=3 448 B9R1.27 CC1=C(C=O)N(C)C=N1 C15686 [0,2,0,0,0,0|2,0,0]=4 449 B9R1.27 CN1C=NC(I)=C1C=O P10192 [0,2,0,0,0,0|2,0,0]=4 450 B9R1.27 CN1N=CC(Br)=C1C=O 71410 [0,2,0,0,0,0|2,0,0]=4 451 B9R1.27 CN1N=CC(I)=C1C=O W16901 [0,2,0,0,0,0|2,0,0]=4 452 B7R1.3 ClC1=CN=CC=C1 P19758 [0,0,1,1,0,0|2,0,0]=4 453 B7R1.3 NC1=CC=CC=C1 T70935 [0,0,1,1,0,0|2,0,0]=4 454 B7R1.3 NC1=CC=CC=C1 T71037 [0,0,1,1,0,0|2,0,0]=4