0 B6R1.2 BrC1=CC=CO1 29495 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 BrC1=CC=CS1 D77872 [0,0,0,0,0,0|2,1,0]=3 2 B6R1.2 BrC1=CC=NN1 37887 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 BrC1=CN=CS1 CL2517 [0,0,0,0,0,0|3,1,0]=4 4 B6R1.2 BrC1=CNC=N1 CL2219 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 BrC1=CNN=C1 21504 [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 BrC1=COC=C1 35018 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 BrC1=CON=C1 34052 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 BrC1=CSC=C1 P20051 [0,0,0,0,0,0|2,1,0]=3 9 B6R1.2 BrC1=CSC=N1 50021 [0,0,0,0,0,0|3,1,0]=4 10 B6R1.2 BrC1=CSN=C1 53000 [0,0,0,0,0,0|3,1,0]=4 11 B6R1.2 BrC1=NC=CN1 TD8110 [0,0,0,0,0,0|4,0,0]=4 12 B6R1.2 BrC1=NC=CS1 22300 [0,0,0,0,0,0|3,1,0]=4 13 B6R1.2 BrC1=NC=NS1 26423 [0,0,0,0,0,0|3,1,0]=4 14 B6R1.2 BrC1=NN=CN1 O10963 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 BrC1=NN=CS1 38339 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 BrC1=NNC=C1 23843 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 BrC1=NNC=N1 50140 [0,0,0,0,0,0|4,0,0]=4 18 B6R1.2 BrC1=NOC=C1 F13554 [0,0,0,0,0,0|2,0,0]=2 19 B6R1.2 CC1=CC=CS1 F10310 [0,0,0,0,0,0|2,1,0]=3 20 B6R1.2 CC1=CC=NN1 FD18008 [0,0,0,0,0,0|3,0,0]=3 21 B6R1.2 CC1=CC=NO1 F14932 [0,0,0,0,0,0|2,0,0]=2 22 B6R1.2 CC1=CCC=C1 F13190 [0,0,0,0,0,0|3,0,0]=3 23 B6R1.2 CC1=CN=CS1 35579 [0,0,0,0,0,0|3,1,0]=4 24 B6R1.2 CC1=CNC=N1 73319 [0,0,0,0,0,0|4,0,0]=4 25 B6R1.2 CC1=CNN=C1 CL3422 [0,0,0,0,0,0|4,0,0]=4 26 B6R1.2 CC1=COC=N1 P11074 [0,0,0,0,0,0|3,0,0]=3 27 B6R1.2 CC1=CSC=C1 28845 [0,0,0,0,0,0|2,1,0]=3 28 B6R1.2 CC1=CSC=N1 P16589 [0,0,0,0,0,0|3,1,0]=4 29 B6R1.2 CC1=NC=CN1 D77862 [0,0,0,0,0,0|4,0,0]=4 30 B6R1.2 CC1=NC=CS1 26127 [0,0,0,0,0,0|3,1,0]=4 31 B6R1.2 CC1=NCCO1 F16112 [0,0,0,0,0,0|3,0,1]=4 32 B6R1.2 CC1=NN=CN1 FD9029 [0,0,0,0,0,0|4,0,0]=4 33 B6R1.2 CC1=NN=CO1 F13450 [0,0,0,0,0,0|4,0,0]=4 34 B6R1.2 CC1=NNC=N1 50144 [0,0,0,0,0,0|4,0,0]=4 35 B6R1.2 CC1=NON=C1 C15436 [0,0,0,0,0,0|3,0,0]=3 36 B6R1.2 CN1C=CC=C1 D78235 [0,0,0,0,0,0|4,0,0]=4 37 B6R1.2 CN1C=CC=N1 39204 [0,0,0,0,0,0|4,0,0]=4 38 B6R1.2 CN1C=CN=C1 D70869 [0,0,0,0,0,0|4,0,0]=4 39 B6R1.2 CN1C=CN=C1 D92902 [0,0,0,0,0,0|4,0,0]=4 40 B6R1.2 CN1C=CN=N1 35170 [0,0,0,0,0,0|4,0,0]=4 41 B6R1.2 ClC1=CC=CS1 F10317 [0,0,0,0,0,0|2,1,0]=3 42 B6R1.2 ClC1=CC=NN1 27119 [0,0,0,0,0,0|3,0,0]=3 43 B6R1.2 ClC1=CN=CN1 35570 [0,0,0,0,0,0|4,0,0]=4 44 B6R1.2 ClC1=CNN=C1 64527 [0,0,0,0,0,0|4,0,0]=4 45 B6R1.2 ClC1=CSC=C1 75806 [0,0,0,0,0,0|2,1,0]=3 46 B6R1.2 ClC1=CSC=N1 26491 [0,0,0,0,0,0|3,1,0]=4 47 B6R1.2 ClC1=NC=CS1 23376 [0,0,0,0,0,0|3,1,0]=4 48 B6R1.2 ClC1=NC=NS1 25546 [0,0,0,0,0,0|3,1,0]=4 49 B6R1.2 ClC1=NNC=N1 76822 [0,0,0,0,0,0|4,0,0]=4 50 B6R1.2 FC1=CNN=C1 82131 [0,0,0,0,0,0|4,0,0]=4 51 B6R1.2 IC1=CC=CS1 20438 [0,0,0,0,0,0|2,1,0]=3 52 B6R1.2 IC1=CC=NN1 33948 [0,0,0,0,0,0|3,0,0]=3 53 B6R1.2 IC1=CNC=N1 CL2236 [0,0,0,0,0,0|4,0,0]=4 54 B6R1.2 IC1=CNN=C1 20446 [0,0,0,0,0,0|4,0,0]=4 55 B6R1.2 IC1=CON=C1 25301 [0,0,0,0,0,0|3,0,0]=3 56 B6R1.2 IC1=CSC=C1 35429 [0,0,0,0,0,0|2,1,0]=3 57 B6R1.2 IC1=NC=CN1 23885 [0,0,0,0,0,0|4,0,0]=4 58 B6R1.2 IC1=NNC=C1 24468 [0,0,0,0,0,0|3,0,0]=3 59 B6R1.2 IC1=NNC=N1 I10222 [0,0,0,0,0,0|4,0,0]=4 60 B6R1.2 NC1=CC=NN1 78618 [0,0,0,0,0,0|3,0,0]=3 61 B6R1.2 NC1=CN=CS1 52084 [0,0,0,0,0,0|3,1,0]=4 62 B6R1.2 NC1=CN=NS1 FD13116 [0,0,0,0,0,0|3,1,0]=4 63 B6R1.2 NC1=CNN=C1 24919 [0,0,0,0,0,0|4,0,0]=4 64 B6R1.2 NC1=CNN=C1 29760 [0,0,0,0,0,0|4,0,0]=4 65 B6R1.2 NC1=CON=C1 26651 [0,0,0,0,0,0|3,0,0]=3 66 B6R1.2 NC1=CSC=C1 37334 [0,0,0,0,0,0|2,1,0]=3 67 B6R1.2 NC1=CSC=C1 CX1088 [0,0,0,0,0,0|2,1,0]=3 68 B6R1.2 NC1=CSC=C1 D78123 [0,0,0,0,0,0|2,1,0]=3 69 B6R1.2 NC1=NC=CN1 36556 [0,0,0,0,0,0|4,0,0]=4 70 B6R1.2 NC1=NC=CN1 P10144 [0,0,0,0,0,0|4,0,0]=4 71 B6R1.2 NC1=NC=CO1 52234 [0,0,0,0,0,0|3,0,0]=3 72 B6R1.2 NC1=NC=CS1 AC7847 [0,0,0,0,0,0|3,1,0]=4 73 B6R1.2 NC1=NC=NS1 36264 [0,0,0,0,0,0|3,1,0]=4 74 B6R1.2 NC1=NC=NS1 77838 [0,0,0,0,0,0|3,1,0]=4 75 B6R1.2 NC1=NC=NS1 O10337 [0,0,0,0,0,0|3,1,0]=4 76 B6R1.2 NC1=NN=CN1 D70019 [0,0,0,0,0,0|4,0,0]=4 77 B6R1.2 NC1=NN=CO1 72550 [0,0,0,0,0,0|4,0,0]=4 78 B6R1.2 NC1=NN=CS1 D77857 [0,0,0,0,0,0|4,0,0]=4 79 B6R1.2 NC1=NNC=C1 38175 [0,0,0,0,0,0|3,0,0]=3 80 B6R1.2 NC1=NNC=N1 26310 [0,0,0,0,0,0|4,0,0]=4 81 B6R1.2 NC1=NNC=N1 52694 [0,0,0,0,0,0|4,0,0]=4 82 B6R1.2 NC1=NOC=C1 37672 [0,0,0,0,0,0|2,0,0]=2 83 B6R1.2 NN1C=CC=C1 37643 [0,0,0,0,0,0|4,0,0]=4 84 B6R1.2 O=C1C=CCC1 23169 [0,0,0,0,0,0|2,0,0]=2 85 B6R1.2 O=C1C=CCO1 20453 [0,0,0,0,0,0|1,0,0]=1 86 B6R1.2 O=C1C=CNN1 F30274 [0,0,0,0,0,0|2,0,0]=2 87 B6R1.2 O=C1C=CSN1 BL007960 [0,0,0,0,0,0|1,1,0]=2 88 B6R1.2 O=C1CC=CC1 68366 [0,0,0,0,0,0|2,0,1]=3 89 B6R1.2 O=C1CC=NN1 26372 [0,0,0,0,0,0|2,0,1]=3 90 B6R1.2 O=C1CCCN1 D95709 [0,0,0,0,0,0|2,0,2]=4 91 B6R1.2 O=C1CCCN1 D96808 [0,0,0,0,0,0|2,0,2]=4 92 B6R1.2 O=C1CCNC1 65410 [0,0,0,0,0,0|2,0,2]=4 93 B6R1.2 O=C1CCNN1 F15485 [0,0,0,0,0,0|2,0,2]=4 94 B6R1.2 O=C1CCOC1 28102 [0,0,0,0,0,0|1,0,2]=3 95 B6R1.2 O=C1CCSC1 37995 [0,0,0,0,0,0|1,1,2]=4 96 B6R1.2 O=C1N=CNN1 28965 [0,0,0,0,0,0|3,0,0]=3 97 B6R1.2 O=C1NC=CN1 SC3451 [0,0,0,0,0,0|3,0,0]=3 98 B6R1.2 O=C1NCCN1 D71145 [0,0,0,0,0,0|3,0,1]=4 99 B6R1.2 O=C1NCCO1 C93484 [0,0,0,0,0,0|2,0,1]=3 100 B6R1.2 O=C1NCCS1 35133 [0,0,0,0,0,0|2,1,1]=4 101 B6R1.2 O=C1OC=CO1 28756 [0,0,0,0,0,0|2,0,0]=2 102 B6R1.2 O=C1OCCO1 D72525 [0,0,0,0,0,0|2,0,1]=3 103 B6R1.2 O=S1OCCO1 AC7916 [0,0,0,0,0,0|3,0,1]=4 104 B6R1.2 OC1=CC=NN1 S10713 [0,0,0,0,0,0|2,0,1]=3 105 B6R1.2 ON1C=CC=N1 36027 [0,0,0,0,0,0|3,0,1]=4 106 B6R1.2 S=C1N=CNN1 F11230 [0,0,0,0,0,0|3,1,0]=4 107 B6R1.2 S=C1NCCO1 79469 [0,0,0,0,0,0|2,1,1]=4 108 B6R1.2 S=C1SC=CS1 A10933 [0,0,0,0,0,0|2,2,0]=4 109 B6R1.2 SC1=NC=CN1 78654 [0,0,0,0,0,0|3,1,0]=4 110 B6R1.2 SC1=NC=CS1 23031 [0,0,0,0,0,0|2,2,0]=4 111 B6R1.2 SC1=NN=CS1 D71149 [0,0,0,0,0,0|3,1,0]=4 112 B6R1.2 [Fe]C1=CC=CC1 D78443 [0,0,0,0,0,0|3,0,0]=3 113 B6R1.2 [S-]C1=NNN=C1 D91393 [0,0,0,0,0,0|3,1,0]=4 114 B5R1.1 C1=CCC=C1 F16264 [1,0,0,0,0,0|2,0,0]=3 115 B5R1.1 C1=CCC=C1 S10330 [1,0,0,0,0,0|2,0,0]=3 116 B5R1.1 C1=CCC=C1 S10411 [1,0,0,0,0,0|2,0,0]=3 117 B5R1.1 C1=CCNC1 23121 [1,0,0,0,0,0|2,0,1]=4 118 B5R1.1 C1=CCNC1 39302 [1,0,0,0,0,0|2,0,1]=4 119 B5R1.1 C1=CCOC1 F11214 [1,0,0,0,0,0|1,0,1]=3 120 B5R1.1 C1=CNC=N1 AC9122 [1,0,0,0,0,0|3,0,0]=4 121 B5R1.1 C1=CNC=N1 P17516 [1,0,0,0,0,0|3,0,0]=4 122 B5R1.1 C1=CNN=C1 D78528 [1,0,0,0,0,0|2,0,0]=3 123 B5R1.1 C1=CNN=N1 24428 [1,0,0,0,0,0|3,0,0]=4 124 B5R1.1 C1=COC=N1 64701 [1,0,0,0,0,0|2,0,0]=3 125 B5R1.1 C1=CON=C1 F14866 [1,0,0,0,0,0|1,0,0]=2 126 B5R1.1 C1=CSC=N1 20469 [1,0,0,0,0,0|2,1,0]=4 127 B5R1.1 C1=CSN=C1 62862 [1,0,0,0,0,0|1,1,0]=3 128 B5R1.1 C1=C[CH-]C=C1 D89475 [1,0,0,0,0,0|2,0,0]=3 129 B5R1.1 C1=NC=NN1 70017 [1,0,0,0,0,0|3,0,0]=4 130 B5R1.1 C1=NNN=C1 D70752 [1,0,0,0,0,0|3,0,0]=4 131 B7R1.1 BrCC1=CSC=C1 54789 [0,1,0,0,0,0|2,1,0]=4 132 B7R1.1 C#CC1=CC=CS1 75533 [0,1,0,0,0,0|2,1,0]=4 133 B7R1.1 C#CC1=CSC=C1 75818 [0,1,0,0,0,0|2,1,0]=4 134 B7R1.1 C=CC1=CSC=C1 D84207 [0,1,0,0,0,0|2,1,0]=4 135 B7R1.1 CCC1=CC=CO1 S10154 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.1 CCC1=CC=CS1 D90498 [0,1,0,0,0,0|2,1,0]=4 137 B7R1.1 CCC1=CCC=C1 F14114 [0,1,0,0,0,0|3,0,0]=4 138 B7R1.1 CCC1=CSC=C1 F14946 [0,1,0,0,0,0|2,1,0]=4 139 B7R1.1 COC1=CC=CS1 F14921 [0,1,0,0,0,0|1,1,1]=4 140 B7R1.1 COC1=CSC=C1 63554 [0,1,0,0,0,0|1,1,1]=4 141 B7R1.1 CSC1=CSC=C1 D97361 [0,1,0,0,0,0|1,2,0]=4 142 B7R1.1 ClCC1=NC=CO1 24216 [0,1,0,0,0,0|3,0,0]=4 143 B7R1.1 ClCC1=NNC=C1 29752 [0,1,0,0,0,0|3,0,0]=4 144 B7R1.1 ClCC1=NOC=N1 C10486 [0,1,0,0,0,0|3,0,0]=4 145 B7R1.1 N#CC1=CC=CN1 57004 [0,1,0,0,0,0|3,0,0]=4 146 B7R1.1 N#CC1=CC=CO1 67660 [0,1,0,0,0,0|2,0,0]=3 147 B7R1.1 N#CC1=CC=CS1 11864 [0,1,0,0,0,0|2,1,0]=4 148 B7R1.1 N#CC1=CNC=C1 O10412 [0,1,0,0,0,0|3,0,0]=4 149 B7R1.1 N#CC1=CSC=C1 66666 [0,1,0,0,0,0|2,1,0]=4 150 B7R1.1 N#CC1=NNC=C1 BL003372 [0,1,0,0,0,0|3,0,0]=4 151 B7R1.1 N#CC1=NOC=C1 P10777 [0,1,0,0,0,0|2,0,0]=3 152 B7R1.1 NCC1=CC=CN1 24683 [0,1,0,0,0,0|3,0,0]=4 153 B7R1.1 NCC1=CC=CS1 77953 [0,1,0,0,0,0|2,1,0]=4 154 B7R1.1 NCC1=CC=NN1 79202 [0,1,0,0,0,0|3,0,0]=4 155 B7R1.1 NCC1=CN=CO1 34684 [0,1,0,0,0,0|3,0,0]=4 156 B7R1.1 NCC1=CN=CO1 38284 [0,1,0,0,0,0|3,0,0]=4 157 B7R1.1 NCC1=COC=C1 F14683 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.1 NCC1=COC=N1 AC7758 [0,1,0,0,0,0|3,0,0]=4 159 B7R1.1 NCC1=CSC=C1 23759 [0,1,0,0,0,0|2,1,0]=4 160 B7R1.1 NCC1=CSC=C1 84938 [0,1,0,0,0,0|2,1,0]=4 161 B7R1.1 NCC1=NC=CO1 64820 [0,1,0,0,0,0|3,0,0]=4 162 B7R1.1 O=CC1=CC=CN1 61406 [0,1,0,0,0,0|2,0,0]=3 163 B7R1.1 O=CC1=CC=CS1 AC8106 [0,1,0,0,0,0|1,1,0]=3 164 B7R1.1 O=CC1=CCC=C1 F14116 [0,1,0,0,0,0|2,0,0]=3 165 B7R1.1 O=CC1=CN=CN1 30100 [0,1,0,0,0,0|3,0,0]=4 166 B7R1.1 O=CC1=CN=CS1 66596 [0,1,0,0,0,0|2,1,0]=4 167 B7R1.1 O=CC1=CNC=C1 65470 [0,1,0,0,0,0|2,0,0]=3 168 B7R1.1 O=CC1=CNC=N1 CL2201 [0,1,0,0,0,0|3,0,0]=4 169 B7R1.1 O=CC1=CNN=C1 24998 [0,1,0,0,0,0|3,0,0]=4 170 B7R1.1 O=CC1=CNN=C1 38080 [0,1,0,0,0,0|3,0,0]=4 171 B7R1.1 O=CC1=COC=C1 61504 [0,1,0,0,0,0|1,0,0]=2 172 B7R1.1 O=CC1=COC=N1 25504 [0,1,0,0,0,0|2,0,0]=3 173 B7R1.1 O=CC1=CSC=C1 24023 [0,1,0,0,0,0|1,1,0]=3 174 B7R1.1 O=CC1=CSC=N1 66630 [0,1,0,0,0,0|2,1,0]=4 175 B7R1.1 O=CC1=NC=CN1 69187 [0,1,0,0,0,0|3,0,0]=4 176 B7R1.1 O=CC1=NC=CO1 64760 [0,1,0,0,0,0|2,0,0]=3 177 B7R1.1 O=CC1=NC=CS1 TD8063 [0,1,0,0,0,0|2,1,0]=4 178 B7R1.1 O=CC1=NNC=C1 BL001484 [0,1,0,0,0,0|2,0,0]=3 179 B7R1.1 OCC1=CC=CS1 P10010 [0,1,0,0,0,0|1,1,1]=4 180 B7R1.1 OCC1=CCC=C1 F14117 [0,1,0,0,0,0|2,0,1]=4 181 B7R1.1 OCC1=CN=CO1 25731 [0,1,0,0,0,0|2,0,1]=4 182 B7R1.1 OCC1=COC=C1 35423 [0,1,0,0,0,0|1,0,1]=3 183 B7R1.1 OCC1=COC=N1 38413 [0,1,0,0,0,0|2,0,1]=4 184 B7R1.1 OCC1=CSC=C1 33113 [0,1,0,0,0,0|1,1,1]=4 185 B7R1.1 OCC1=NC=CO1 50737 [0,1,0,0,0,0|2,0,1]=4 186 B7R1.1 OCC1=NNC=C1 29405 [0,1,0,0,0,0|2,0,1]=4 187 B7R1.1 OCC1=NOC=C1 26711 [0,1,0,0,0,0|1,0,1]=3 188 B7R1.2 BrC1=CC(Br)=NN1 P17315 [0,1,0,0,0,0|3,0,0]=4 189 B7R1.2 BrC1=CC=C(Br)O1 Y10506 [0,1,0,0,0,0|2,0,0]=3 190 B7R1.2 BrC1=CC=C(Br)S1 D71235 [0,1,0,0,0,0|2,1,0]=4 191 B7R1.2 BrC1=CC=C(Br)[Se]1 T70434 [0,1,0,0,0,0|2,1,0]=4 192 B7R1.2 BrC1=CC=C(I)S1 AC5822 [0,1,0,0,0,0|2,1,0]=4 193 B7R1.2 BrC1=CSC(Br)=C1 75333 [0,1,0,0,0,0|2,1,0]=4 194 B7R1.2 CC1=CC(=O)CC1 H10654 [0,1,0,0,0,0|2,0,0]=3 195 B7R1.2 CC1=CC(Br)=CS1 33723 [0,1,0,0,0,0|2,1,0]=4 196 B7R1.2 CC1=CC(Br)=NN1 25205 [0,1,0,0,0,0|3,0,0]=4 197 B7R1.2 CC1=CC(Br)=NO1 W10495 [0,1,0,0,0,0|2,0,0]=3 198 B7R1.2 CC1=CC(C)=NN1 P19711 [0,1,0,0,0,0|3,0,0]=4 199 B7R1.2 CC1=CC(C)=NO1 75710 [0,1,0,0,0,0|2,0,0]=3 200 B7R1.2 CC1=CC(I)=NN1 P13869 [0,1,0,0,0,0|3,0,0]=4 201 B7R1.2 CC1=CC(N)=NO1 52801 [0,1,0,0,0,0|2,0,0]=3 202 B7R1.2 CC1=CC(O)=NN1 A50988 [0,1,0,0,0,0|2,0,1]=4 203 B7R1.2 CC1=CC(O)=NO1 78261 [0,1,0,0,0,0|1,0,1]=3 204 B7R1.2 CC1=CC=C(Br)S1 O10685 [0,1,0,0,0,0|2,1,0]=4 205 B7R1.2 CC1=CC=C(C)N1 O10615 [0,1,0,0,0,0|3,0,0]=4 206 B7R1.2 CC1=CC=C(C)S1 F11266 [0,1,0,0,0,0|2,1,0]=4 207 B7R1.2 CC1=CC=C(Cl)S1 H11801 [0,1,0,0,0,0|2,1,0]=4 208 B7R1.2 CC1=CC=C(I)S1 54487 [0,1,0,0,0,0|2,1,0]=4 209 B7R1.2 CC1=CNC(C)=C1 28362 [0,1,0,0,0,0|3,0,0]=4 210 B7R1.2 CC1=COC(C)=N1 T71266 [0,1,0,0,0,0|3,0,0]=4 211 B7R1.2 CC1=COC(N)=N1 30309 [0,1,0,0,0,0|3,0,0]=4 212 B7R1.2 CC1=CSC(=O)N1 S10245 [0,1,0,0,0,0|2,1,0]=4 213 B7R1.2 CC1=NC(=N)NO1 W17509 [0,1,0,0,0,0|3,0,0]=4 214 B7R1.2 CC1=NC(Br)=NO1 D82619 [0,1,0,0,0,0|3,0,0]=4 215 B7R1.2 CC1=NN(C)C=C1 81639 [0,1,0,0,0,0|3,0,0]=4 216 B7R1.2 CC1=NNC(=O)C1 AC8022 [0,1,0,0,0,0|2,0,1]=4 217 B7R1.2 CC1=NNC(=O)O1 24445 [0,1,0,0,0,0|3,0,0]=4 218 B7R1.2 CC1=NNC(Br)=C1 36545 [0,1,0,0,0,0|3,0,0]=4 219 B7R1.2 CC1=NNC(Cl)=C1 20413 [0,1,0,0,0,0|3,0,0]=4 220 B7R1.2 CC1=NNC(N)=C1 51350 [0,1,0,0,0,0|3,0,0]=4 221 B7R1.2 CC1=NNC(O)=C1 P10123 [0,1,0,0,0,0|2,0,1]=4 222 B7R1.2 CC1=NOC(N)=C1 71003 [0,1,0,0,0,0|2,0,0]=3 223 B7R1.2 CC1=NSC(Br)=C1 35562 [0,1,0,0,0,0|2,1,0]=4 224 B7R1.2 CC1=NSC(N)=C1 64312 [0,1,0,0,0,0|2,1,0]=4 225 B7R1.2 CN1C=CC(=O)N1 F30645 [0,1,0,0,0,0|2,0,0]=3 226 B7R1.2 CN1C=CC(Br)=N1 81971 [0,1,0,0,0,0|3,0,0]=4 227 B7R1.2 CN1C=CC(Cl)=N1 70372 [0,1,0,0,0,0|3,0,0]=4 228 B7R1.2 CN1C=CC(I)=N1 30259 [0,1,0,0,0,0|3,0,0]=4 229 B7R1.2 CN1C=CC(N)=N1 27080 [0,1,0,0,0,0|3,0,0]=4 230 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [0,1,0,0,0,0|1,0,2]=4 231 B7R1.2 C[C@H]1COC(=O)O1 28658 [0,1,0,0,0,0|2,0,1]=4 232 B7R1.2 ClC1=CC=C(Br)S1 D70599 [0,1,0,0,0,0|2,1,0]=4 233 B7R1.2 ClC1=CC=C(Cl)S1 D78168 [0,1,0,0,0,0|2,1,0]=4 234 B7R1.2 IC1=CC=C(I)S1 D90089 [0,1,0,0,0,0|2,1,0]=4 235 B7R1.2 NC1=CC(=O)N=N1 D97375 [0,1,0,0,0,0|2,0,0]=3 236 B7R1.2 NC1=CC(Br)=NN1 38014 [0,1,0,0,0,0|3,0,0]=4 237 B7R1.2 NC1=CC(Cl)=NN1 37845 [0,1,0,0,0,0|3,0,0]=4 238 B7R1.2 NC1=CC(O)=NN1 F31400 [0,1,0,0,0,0|2,0,1]=4 239 B7R1.2 NC1=CSC(Br)=C1 P17645 [0,1,0,0,0,0|2,1,0]=4 240 B7R1.2 NC1=NC(=O)CS1 31010 [0,1,0,0,0,0|2,1,0]=4 241 B7R1.2 NC1=NC(=O)NN1 26229 [0,1,0,0,0,0|3,0,0]=4 242 B7R1.2 NC1=NCC(=O)N1 CS2769 [0,1,0,0,0,0|3,0,0]=4 243 B7R1.2 NC1=NNC(=O)C1 O10932 [0,1,0,0,0,0|2,0,1]=4 244 B7R1.2 NC1=NNC(Br)=C1 25773 [0,1,0,0,0,0|3,0,0]=4 245 B7R1.2 NC1=NNC(Br)=C1 D78148 [0,1,0,0,0,0|3,0,0]=4 246 B7R1.2 NC1=NNC(O)=C1 38193 [0,1,0,0,0,0|2,0,1]=4 247 B7R1.2 N[C@@H]1COC(=O)C1 FD1172 [0,1,0,0,0,0|1,0,2]=4 248 B7R1.2 O=C1C=CC(=O)N1 29305 [0,1,0,0,0,0|2,0,0]=3 249 B7R1.2 O=C1C=C[C@@H](O)C1 11013 [0,1,0,0,0,0|2,0,0]=3 250 B7R1.2 O=C1CCC(=O)C1 23085 [0,1,0,0,0,0|2,0,1]=4 251 B7R1.2 O=C1CCC(=O)O1 D78120 [0,1,0,0,0,0|1,0,2]=4 252 B7R1.2 O=C1CNC(=O)N1 D70295 [0,1,0,0,0,0|3,0,0]=4 253 B7R1.2 O=C1CNC(=O)O1 64800 [0,1,0,0,0,0|2,0,1]=4 254 B7R1.2 O=C1CNC(=S)N1 D97424 [0,1,0,0,0,0|3,0,0]=4 255 B7R1.2 O=C1COC(=O)C1 T72521 [0,1,0,0,0,0|1,0,1]=3 256 B7R1.2 O=C1CSC(=O)N1 AC7504 [0,1,0,0,0,0|2,1,0]=4 257 B7R1.2 O=C1CSC(=S)N1 F20341 [0,1,0,0,0,0|2,1,0]=4 258 B7R1.2 O=C1C[C@H](O)CO1 H11711 [0,1,0,0,0,0|1,0,2]=4 259 B7R1.2 O=C1NNC(=O)N1 D92762 [0,1,0,0,0,0|3,0,0]=4 260 B7R1.2 O=C1OC[C@H](Cl)O1 C13865 [0,1,0,0,0,0|2,0,1]=4 261 B7R1.2 O=C1OC[C@H](F)O1 FD2018 [0,1,0,0,0,0|2,0,1]=4 262 B7R1.4 BrC1=C(Br)SC=C1 FD14054 [0,1,0,0,0,0|2,1,0]=4 263 B7R1.4 BrC1=COC=C1Br 29742 [0,1,0,0,0,0|2,0,0]=3 264 B7R1.4 BrC1=CSC=C1Br 22528 [0,1,0,0,0,0|2,1,0]=4 265 B7R1.4 C=C1CCOC1=O FD18014 [0,1,0,0,0,0|1,0,1]=3 266 B7R1.4 CC1=C(Br)C=CS1 23521 [0,1,0,0,0,0|2,1,0]=4 267 B7R1.4 CC1=C(Br)SC=C1 21728 [0,1,0,0,0,0|2,1,0]=4 268 B7R1.4 CC1=C(C)OC=C1 F30226 [0,1,0,0,0,0|2,0,0]=3 269 B7R1.4 CC1=C(C)OC=N1 A10890 [0,1,0,0,0,0|3,0,0]=4 270 B7R1.4 CC1=C(Cl)SC=C1 F11210 [0,1,0,0,0,0|2,1,0]=4 271 B7R1.4 CC1=C(N)C=NN1 D94835 [0,1,0,0,0,0|3,0,0]=4 272 B7R1.4 CC1=C(S)C=CO1 F15479 [0,1,0,0,0,0|1,1,0]=3 273 B7R1.4 CC1=CC=NN1C 60348 [0,1,0,0,0,0|3,0,0]=4 274 B7R1.4 CC1=CNC=C1C 39170 [0,1,0,0,0,0|3,0,0]=4 275 B7R1.4 CC1=CNN=C1Br 38069 [0,1,0,0,0,0|3,0,0]=4 276 B7R1.4 CC1=CNN=C1C 23641 [0,1,0,0,0,0|3,0,0]=4 277 B7R1.4 CC1=CNN=C1C F16140 [0,1,0,0,0,0|3,0,0]=4 278 B7R1.4 CC1=CSC=C1Br 77987 [0,1,0,0,0,0|2,1,0]=4 279 B7R1.4 CC1=CSC=C1C F14672 [0,1,0,0,0,0|2,1,0]=4 280 B7R1.4 CC1=NNC=C1Br 83424 [0,1,0,0,0,0|3,0,0]=4 281 B7R1.4 CC1=NNC=C1I 75873 [0,1,0,0,0,0|3,0,0]=4 282 B7R1.4 CC1=NON=C1C AC1718 [0,1,0,0,0,0|3,0,0]=4 283 B7R1.4 CN1CCOC1=O 70761 [0,1,0,0,0,0|2,0,1]=4 284 B7R1.4 CN1N=CC=C1Br 35940 [0,1,0,0,0,0|3,0,0]=4 285 B7R1.4 CN1N=CC=C1I 23590 [0,1,0,0,0,0|3,0,0]=4 286 B7R1.4 CN1N=CC=C1N 33709 [0,1,0,0,0,0|3,0,0]=4 287 B7R1.4 CN1N=CC=C1O 82961 [0,1,0,0,0,0|2,0,1]=4 288 B7R1.4 CN1N=CCC1=O O10424 [0,1,0,0,0,0|2,0,1]=4 289 B7R1.4 CN1NC=CC1=O F17237 [0,1,0,0,0,0|2,0,0]=3 290 B7R1.4 CN1SC=CC1=O D71148 [0,1,0,0,0,0|1,1,0]=3 291 B7R1.4 CN1SC=CC1=O D92969 [0,1,0,0,0,0|1,1,0]=3 292 B7R1.4 C[C@@H]1OCCC1=O O10840 [0,1,0,0,0,0|1,0,2]=4 293 B7R1.4 C[C@H]1CCOC1=O D70164 [0,1,0,0,0,0|1,0,2]=4 294 B7R1.4 ClC1=C(Br)C=CS1 33697 [0,1,0,0,0,0|2,1,0]=4 295 B7R1.4 ClC1=C(Br)NN=C1 P18154 [0,1,0,0,0,0|3,0,0]=4 296 B7R1.4 ClC1=C(Br)SC=C1 C76494 [0,1,0,0,0,0|2,1,0]=4 297 B7R1.4 ClC1=C(Cl)SC=C1 A12147 [0,1,0,0,0,0|2,1,0]=4 298 B7R1.4 NC1=CNN=C1Cl 75783 [0,1,0,0,0,0|3,0,0]=4 299 B7R1.4 NC1=CNN=C1N P14677 [0,1,0,0,0,0|3,0,0]=4 300 B7R1.4 NC1=CSC=C1N 75664 [0,1,0,0,0,0|2,1,0]=4 301 B7R1.4 NC1=CSC=C1N N12488 [0,1,0,0,0,0|2,1,0]=4 302 B7R1.4 NC1=NNC=C1Br 80218 [0,1,0,0,0,0|3,0,0]=4 303 B7R1.4 NC1=NOC=C1Br O11191 [0,1,0,0,0,0|2,0,0]=3 304 B7R1.4 NC1=NON=C1N 60642 [0,1,0,0,0,0|3,0,0]=4 305 B7R1.4 N[C@H]1CCOC1=O 28853 [0,1,0,0,0,0|1,0,2]=4 306 B7R1.4 N[C@H]1CCOC1=O F14759 [0,1,0,0,0,0|1,0,2]=4 307 B7R1.4 N[C@H]1CCOC1=O FD1139 [0,1,0,0,0,0|1,0,2]=4 308 B7R1.4 N[C@H]1CCOC1=O FD1142 [0,1,0,0,0,0|1,0,2]=4 309 B7R1.4 N[C@H]1CCOC1=O W12226 [0,1,0,0,0,0|1,0,2]=4 310 B7R1.4 N[C@H]1CONC1=O 34883 [0,1,0,0,0,0|1,0,2]=4 311 B7R1.4 N[C@H]1CONC1=O 50854 [0,1,0,0,0,0|1,0,2]=4 312 B7R1.4 O=C1CCC=C1Br D82390 [0,1,0,0,0,0|2,0,0]=3 313 B7R1.4 O=C1CCC=C1O 25221 [0,1,0,0,0,0|2,0,0]=3 314 B7R1.4 O=C1OCC[C@@H]1Br H10671 [0,1,0,0,0,0|1,0,2]=4 315 B7R1.4 O=C1OCC[C@@H]1O A12215 [0,1,0,0,0,0|1,0,2]=4 316 B7R1.4 O=C1OCC[C@@H]1O T72635 [0,1,0,0,0,0|1,0,2]=4 317 B7R1.14 O=S1(=O)C=CCO1 24700 [0,1,0,0,0,0|2,0,0]=3 318 B5R0.1 C#CCC(=O)O F14007 [0,0,1,0,0,0|1,0,2]=4 319 B5R0.1 C=C(C)OCC 78535 [0,0,1,0,0,0|2,0,1]=4 320 B5R0.1 C=CCC(=O)O H10768 [0,0,1,0,0,0|1,0,1]=3 321 B5R0.1 C=CNC(C)=O D92786 [0,0,1,0,0,0|2,0,1]=4 322 B5R0.1 C=NCC(N)=O D97705 [0,0,1,0,0,0|3,0,0]=4 323 B5R0.1 CC#CC(=O)O 66664 [0,0,1,0,0,0|1,0,2]=4 324 B5R0.1 CC(=O)CCO 55787 [0,0,1,0,0,0|1,0,2]=4 325 B5R0.1 CC(=O)NCO FD10622 [0,0,1,0,0,0|2,0,1]=4 326 B5R0.1 CC(=O)OCBr A12670 [0,0,1,0,0,0|2,0,1]=4 327 B5R0.1 CC(=O)OCCl D78132 [0,0,1,0,0,0|2,0,1]=4 328 B5R0.1 CC(=O)\C=N\O D72887 [0,0,1,0,0,0|2,0,0]=3 329 B5R0.1 CC(C)=CC=O 23180 [0,0,1,0,0,0|2,0,1]=4 330 B5R0.1 CC(C)=CCO F20316 [0,0,1,0,0,0|2,0,1]=4 331 B5R0.1 CC=C[C@H](C)O D84201 [0,0,1,0,0,0|2,0,1]=4 332 B5R0.1 CCOC(N)=O F21294 [0,0,1,0,0,0|2,0,1]=4 333 B5R0.1 CNCC(=O)O 73735 [0,0,1,0,0,0|2,0,1]=4 334 B5R0.1 CNCC(=O)O AC7804 [0,0,1,0,0,0|2,0,1]=4 335 B5R0.1 COCC(=O)Cl D78222 [0,0,1,0,0,0|2,0,1]=4 336 B5R0.1 COCC(=O)O D77874 [0,0,1,0,0,0|2,0,1]=4 337 B5R0.1 COCC(C)=O D91400 [0,0,1,0,0,0|1,0,2]=4 338 B5R0.1 COCC(N)=O F20983 [0,0,1,0,0,0|2,0,1]=4 339 B5R0.1 CSCC(=O)O F15988 [0,0,1,0,0,0|2,0,1]=4 340 B5R0.1 C\C=C\B(O)O I12778 [0,0,1,0,0,0|2,0,1]=4 341 B5R0.1 C\C=C\C(=O)Cl D78102 [0,0,1,0,0,0|2,0,0]=3 342 B5R0.1 C\C=C\C(=O)Cl F20351 [0,0,1,0,0,0|2,0,0]=3 343 B5R0.1 C\C=C\C(=O)O RB8002 [0,0,1,0,0,0|1,0,0]=2 344 B5R0.1 C\C=C\C(C)=O F17125 [0,0,1,0,0,0|2,0,0]=3 345 B5R0.1 N#CCC(=O)O P20002 [0,0,1,0,0,0|1,0,2]=4 346 B5R0.1 NOCC(=O)O H11929 [0,0,1,0,0,0|2,0,1]=4 347 B5R0.1 O=C(Cl)OCCl H11933 [0,0,1,0,0,0|3,0,0]=4 348 B5R0.1 O=C(O)CCBr P17146 [0,0,1,0,0,0|1,0,2]=4 349 B5R0.1 O=C(O)CCF 71324 [0,0,1,0,0,0|1,0,2]=4 350 B5R0.1 O=C(O)CCI D91073 [0,0,1,0,0,0|1,0,2]=4 351 B5R0.1 O=C(O)CCO 77998 [0,0,1,0,0,0|0,0,2]=3 352 B5R0.1 O=C(O)CCS AT21041 [0,0,1,0,0,0|0,1,2]=4 353 B5R0.1 O=C(O)\C=C/Cl H10108 [0,0,1,0,0,0|1,0,0]=2 354 B5R0.2 C=COCCO D78209 [0,0,1,0,0,0|1,0,2]=4 355 B5R0.2 CC\C=C\C=O 11553 [0,0,1,0,0,0|2,0,0]=3 356 B5R0.2 N#CCOC=O D95257 [0,0,1,0,0,0|2,0,1]=4 357 B5R0.2 NOCC=CCl D82470 [0,0,1,0,0,0|2,0,1]=4 358 B5R0.2 O=CNNC=O F14871 [0,0,1,0,0,0|3,0,0]=4 359 B5R0.2 OC\C=C/CO D70059 [0,0,1,0,0,0|1,0,2]=4 360 B5R0.2 OC\C=C\CO 70835 [0,0,1,0,0,0|1,0,2]=4 361 B5R0.3 C#CC(=O)OC P17723 [0,0,1,0,0,0|1,0,2]=4 362 B5R0.3 C=CC(=O)NC AB9590 [0,0,1,0,0,0|2,0,0]=3 363 B5R0.3 C=C[C@@H](O)CO D79949 [0,0,1,0,0,0|1,0,2]=4 364 B5R0.3 CCC(=O)CO C75383 [0,0,1,0,0,0|1,0,2]=4 365 B5R0.3 CNC(=O)OC 29564 [0,0,1,0,0,0|2,0,1]=4 366 B5R0.3 COC(=O)CN 20047 [0,0,1,0,0,0|2,0,1]=4 367 B5R0.3 COC(=O)CO 39413 [0,0,1,0,0,0|2,0,1]=4 368 B5R0.3 COC(=O)NN P17509 [0,0,1,0,0,0|3,0,0]=4 369 B5R0.3 COC(=O)SCl D91417 [0,0,1,0,0,0|3,0,0]=4 370 B5R0.3 NNC(=O)CO 71926 [0,0,1,0,0,0|3,0,0]=4 371 B5R0.3 O=C(CO)CO S12381 [0,0,1,0,0,0|2,0,1]=4 372 B5R1.2 O=C1CCC1 24502 [0,0,0,0,1,0|1,0,2]=4 373 B5R1.2 O=C1CCN1 52806 [0,0,0,0,1,0|1,0,2]=4 374 B5R1.2 O=C1CCO1 AT19319 [0,0,0,0,1,0|0,0,2]=3 375 B5R1.2 O=C1CNC1 51063 [0,0,0,0,1,0|2,0,1]=4 376 B5R1.2 O=C1COC1 66386 [0,0,0,0,1,0|1,0,1]=3 377 B5R1.2 O=C1CSC1 BL008272 [0,0,0,0,1,0|1,1,1]=4 378 B7R1.3 BrC1=CC=NC=C1 21740 [0,0,0,0,0,1|3,0,0]=4 379 B7R1.3 BrC1=CN=CC=C1 CX1091 [0,0,0,0,0,1|3,0,0]=4 380 B7R1.3 BrC1=CN=CN=C1 23104 [0,0,0,0,0,1|3,0,0]=4 381 B7R1.3 BrC1=NC=CC=C1 S12408 [0,0,0,0,0,1|3,0,0]=4 382 B7R1.3 BrC1=NC=CC=N1 23038 [0,0,0,0,0,1|3,0,0]=4 383 B7R1.3 BrC1=NC=CN=C1 24207 [0,0,0,0,0,1|3,0,0]=4 384 B7R1.3 BrC1=NN=CC=C1 26986 [0,0,0,0,0,1|3,0,0]=4 385 B7R1.3 CC1=CC=CN=N1 35439 [0,0,0,0,0,1|3,0,0]=4 386 B7R1.3 CC1=CN=CN=C1 24009 [0,0,0,0,0,1|3,0,0]=4 387 B7R1.3 CC1=CN=NC=C1 23588 [0,0,0,0,0,1|3,0,0]=4 388 B7R1.3 CC1=NC=CC=N1 64045 [0,0,0,0,0,1|3,0,0]=4 389 B7R1.3 CC1=NC=CN=C1 D73175 [0,0,0,0,0,1|3,0,0]=4 390 B7R1.3 CC1=NC=NC=C1 63170 [0,0,0,0,0,1|3,0,0]=4 391 B7R1.3 ClC1=CC=NC=C1 12319 [0,0,0,0,0,1|3,0,0]=4 392 B7R1.3 ClC1=CN=CN=C1 57598 [0,0,0,0,0,1|3,0,0]=4 393 B7R1.3 ClC1=NC=CC=N1 23019 [0,0,0,0,0,1|3,0,0]=4 394 B7R1.3 ClC1=NC=CN=C1 78522 [0,0,0,0,0,1|3,0,0]=4 395 B7R1.3 ClC1=NC=NC=C1 58071 [0,0,0,0,0,1|3,0,0]=4 396 B7R1.3 ClC1=NN=CC=C1 57589 [0,0,0,0,0,1|3,0,0]=4 397 B7R1.3 FC1=CC=NC=C1 FD2070 [0,0,0,0,0,1|3,0,0]=4 398 B7R1.3 FC1=CN=CC=C1 24142 [0,0,0,0,0,1|3,0,0]=4 399 B7R1.3 FC1=NC=CC=C1 P16538 [0,0,0,0,0,1|3,0,0]=4 400 B7R1.3 FC1=NC=CC=N1 75550 [0,0,0,0,0,1|3,0,0]=4 401 B7R1.3 FC1=NC=CN=C1 61130 [0,0,0,0,0,1|3,0,0]=4 402 B7R1.3 IC1=CC=CC=C1 D77691 [0,0,0,0,0,1|3,0,0]=4 403 B7R1.3 IC1=CC=NC=C1 TD8150 [0,0,0,0,0,1|3,0,0]=4 404 B7R1.3 IC1=CN=CC=C1 CL0133 [0,0,0,0,0,1|3,0,0]=4 405 B7R1.3 IC1=CN=CN=C1 26143 [0,0,0,0,0,1|3,0,0]=4 406 B7R1.3 IC1=NC=CC=C1 34422 [0,0,0,0,0,1|3,0,0]=4 407 B7R1.3 IC1=NC=CC=N1 24664 [0,0,0,0,0,1|3,0,0]=4 408 B7R1.3 IC1=NC=CN=C1 84031 [0,0,0,0,0,1|3,0,0]=4 409 B7R1.3 NC1=CC=CN=C1 CX1211 [0,0,0,0,0,1|3,0,0]=4 410 B7R1.3 NC1=CC=CN=N1 51045 [0,0,0,0,0,1|3,0,0]=4 411 B7R1.3 NC1=CC=NC=C1 79042 [0,0,0,0,0,1|3,0,0]=4 412 B7R1.3 NC1=CN=CN=C1 34674 [0,0,0,0,0,1|3,0,0]=4 413 B7R1.3 NC1=CN=NC=C1 23834 [0,0,0,0,0,1|3,0,0]=4 414 B7R1.3 NC1=CN=NC=C1 37053 [0,0,0,0,0,1|3,0,0]=4 415 B7R1.3 NC1=NC=CC=C1 P17100 [0,0,0,0,0,1|3,0,0]=4 416 B7R1.3 NC1=NC=CC=N1 21312 [0,0,0,0,0,1|3,0,0]=4 417 B7R1.3 NC1=NC=CN=C1 CL4536 [0,0,0,0,0,1|3,0,0]=4 418 B7R1.3 NC1=NC=CN=N1 29300 [0,0,0,0,0,1|3,0,0]=4 419 B7R1.3 NC1=NC=NC=C1 83268 [0,0,0,0,0,1|3,0,0]=4 420 B7R1.3 O=C1C=CC=CN1 D87632 [0,0,0,0,0,1|2,0,0]=3 421 B7R1.3 O=C1C=CC=CO1 F16388 [0,0,0,0,0,1|1,0,0]=2 422 B7R1.3 O=C1C=CC=NN1 65442 [0,0,0,0,0,1|2,0,0]=3 423 B7R1.3 O=C1C=CCCO1 71011 [0,0,0,0,0,1|1,0,0]=2 424 B7R1.3 O=C1C=CN=CN1 30112 [0,0,0,0,0,1|2,0,0]=3 425 B7R1.3 O=C1C=CNC=C1 D82355 [0,0,0,0,0,1|2,0,0]=3 426 B7R1.3 O=C1C=CNC=N1 O12062 [0,0,0,0,0,1|2,0,0]=3 427 B7R1.3 O=C1C=COC=C1 C14156 [0,0,0,0,0,1|1,0,0]=2 428 B7R1.3 O=C1C=NC=CN1 FD9116 [0,0,0,0,0,1|2,0,0]=3 429 B7R1.3 O=C1CCCCO1 20506 [0,0,0,0,0,1|1,0,2]=4 430 B7R1.3 O=C1CCCOC1 67990 [0,0,0,0,0,1|1,0,2]=4 431 B7R1.3 O=C1CCOCC1 28100 [0,0,0,0,0,1|1,0,2]=4 432 B7R1.3 O=C1COCCN1 35814 [0,0,0,0,0,1|1,0,2]=4 433 B7R1.3 O=C1COCCO1 39291 [0,0,0,0,0,1|1,0,2]=4 434 B7R1.3 O=C1N=CC=CN1 73268 [0,0,0,0,0,1|2,0,0]=3 435 B7R1.3 O=C1N=CC=CN1 O10847 [0,0,0,0,0,1|2,0,0]=3 436 B7R1.3 O=C1NCCCO1 30441 [0,0,0,0,0,1|1,0,2]=4 437 B7R1.3 O=C1OCCCO1 F20507 [0,0,0,0,0,1|1,0,2]=4 438 B7R1.3 OC1=CC=NC=C1 37339 [0,0,0,0,0,1|2,0,1]=4 439 B7R1.3 OC1=CN=CC=C1 D70736 [0,0,0,0,0,1|2,0,1]=4 440 B7R1.3 OC1=CN=CN=C1 25771 [0,0,0,0,0,1|2,0,1]=4 441 B7R1.3 OC1=CN=NC=C1 25993 [0,0,0,0,0,1|2,0,1]=4 442 B7R1.3 OC1=NC=CC=C1 P20525 [0,0,0,0,0,1|2,0,1]=4 443 B7R1.3 OC1=NC=CC=N1 25126 [0,0,0,0,0,1|2,0,1]=4 444 B7R1.3 OC1=NC=CC=N1 36398 [0,0,0,0,0,1|2,0,1]=4 445 B7R1.3 OC1=NC=CN=C1 BL005716 [0,0,0,0,0,1|2,0,1]=4 446 B7R1.3 OC1=NC=NC=C1 33064 [0,0,0,0,0,1|2,0,1]=4 447 B7R1.3 OC1=NC=NC=C1 AC8519 [0,0,0,0,0,1|2,0,1]=4 448 B7R1.3 S=C1C=CC=CN1 73778 [0,0,0,0,0,1|2,1,0]=4 449 B7R1.3 SC1=CC=NC=C1 F10307 [0,0,0,0,0,1|2,1,0]=4 450 B7R1.3 SC1=NC=CC=N1 26129 [0,0,0,0,0,1|2,1,0]=4 451 B7R1.3 SC1=NC=NC=C1 H10027 [0,0,0,0,0,1|2,1,0]=4 452 B7R1.3 [O-]C1=CC=CC=C1 P16744 [0,0,0,0,0,1|2,0,1]=4 453 B7R1.3 [S-]C1=CC=CC=C1 66302 [0,0,0,0,0,1|2,1,0]=4 454 B7R1.3 [SeH]C1=CC=CC=C1 A12723 [0,0,0,0,0,1|2,1,0]=4 455 B7R1.3 [SiH3]C1=CC=CC=C1 FD15006 [0,0,0,0,0,1|3,0,0]=4 456 B7R1.3 [SnH6+3]C1=CC=CC=C1 D92098 [0,0,0,0,0,1|3,0,0]=4 457 B4R0.1 C#CC(=O)O F10329 [1,0,1,0,0,0|0,0,2]=4 458 B4R0.1 C=C(Br)CO D84296 [1,0,1,0,0,0|2,0,0]=4 459 B4R0.1 C=C(C)CO H10780 [1,0,1,0,0,0|2,0,0]=4 460 B4R0.1 C=CC(=O)[O-] D88317 [1,0,1,0,0,0|0,0,1]=3 461 B4R0.1 C=CC(=O)[O-] H10710 [1,0,1,0,0,0|0,0,1]=3 462 B4R0.1 C=C[C@H](C)O W13854 [1,0,1,0,0,0|1,0,1]=4 463 B4R0.1 CC(=O)NO 78370 [1,0,1,0,0,0|1,0,1]=4 464 B4R0.1 COC(N)=O D86342 [1,0,1,0,0,0|1,0,1]=4 465 B4R0.1 NC(=O)CO D77798 [1,0,1,0,0,0|1,0,1]=4 466 B4R0.1 NC(=O)NO A10546 [1,0,1,0,0,0|2,0,0]=4 467 B4R0.1 NCC(=O)O D70890 [1,0,1,0,0,0|1,0,1]=4 468 B4R0.1 NCC(=O)O F21278 [1,0,1,0,0,0|1,0,1]=4 469 B4R0.1 O=C(O)CO D78078 [1,0,1,0,0,0|0,0,1]=3 470 B4R0.1 O=CC(=O)O D70821 [1,0,1,0,0,0|0,0,1]=3 471 B4R0.1 O=CC(=O)O F14188 [1,0,1,0,0,0|0,0,1]=3 472 B4R0.2 C=CCCO P16638 [1,0,1,0,0,0|1,0,1]=4 473 B4R0.2 C=CCOC D88491 [1,0,1,0,0,0|1,0,1]=4 474 B4R0.2 C=CCON 77603 [1,0,1,0,0,0|1,0,1]=4 475 B4R0.2 C=COCC P19610 [1,0,1,0,0,0|1,0,1]=4 476 B4R0.2 C\C=C\OC 28751 [1,0,1,0,0,0|1,0,1]=4 477 B4R0.2 O=C[N-]C=O 78203 [1,0,1,0,0,0|1,0,1]=4 478 B6R0.1 C=CCC(=O)OC F15018 [0,1,1,0,0,0|1,0,1]=4 479 B6R0.1 C=COC(=O)CCl D95397 [0,1,1,0,0,0|1,0,1]=4 480 B6R0.1 COC(=O)CCO 29940 [0,1,1,0,0,0|0,0,2]=4 481 B6R0.1 COC(=O)\C=C/I C75918 [0,1,1,0,0,0|1,0,0]=3 482 B6R0.1 C\C=C\C(=O)CC 74326 [0,1,1,0,0,0|2,0,0]=4 483 B6R0.2 CC(=O)\C=C(/C)[O-] E70001 [0,1,1,0,0,0|1,0,1]=4 484 B6R0.2 CC(=O)\C=C(\C)N A11050 [0,1,1,0,0,0|2,0,0]=4 485 B6R0.2 CC(=O)\C=C(\C)[O-] AC1284 [0,1,1,0,0,0|1,0,1]=4 486 B6R0.2 CC(=O)\C=C(\C)[O-] D70887 [0,1,1,0,0,0|1,0,1]=4 487 B6R0.2 CC(=O)\C=C(\C)[O-] D80380 [0,1,1,0,0,0|1,0,1]=4 488 B6R0.2 CC(=O)\C=C(\C)[O-] D91066 [0,1,1,0,0,0|1,0,1]=4 489 B6R0.2 CC(=O)\C=C(\C)[O-] D92375 [0,1,1,0,0,0|1,0,1]=4 490 B6R0.2 CC(=O)\C=C(\C)[O-] H10683 [0,1,1,0,0,0|1,0,1]=4 491 B6R0.2 CC(=O)\C=C(\C)[O-] H10696 [0,1,1,0,0,0|1,0,1]=4 492 B6R0.2 CC(=O)\C=C(\C)[O-] H11255 [0,1,1,0,0,0|1,0,1]=4 493 B6R0.2 CC(=O)\C=C(\C)[O-] H11309 [0,1,1,0,0,0|1,0,1]=4 494 B6R0.2 CC(=O)\C=C(\C)[O-] T70257 [0,1,1,0,0,0|1,0,1]=4 495 B6R0.2 CC(C)=CC(=O)O D78089 [0,1,1,0,0,0|1,0,0]=3 496 B6R0.2 C[C@H](O)CC(=O)O D84191 [0,1,1,0,0,0|0,0,2]=4 497 B6R0.2 C[C@H](O)CC(=O)O O10175 [0,1,1,0,0,0|0,0,2]=4 498 B6R0.2 O=C(O)CC(=O)O AC8295 [0,1,1,0,0,0|0,0,1]=3 499 B6R0.3 CC(=O)\C(C)=N\O F21281 [0,1,1,0,0,0|2,0,0]=4 500 B6R0.3 CCC(=O)C(=O)O O10846 [0,1,1,0,0,0|1,0,1]=4 501 B6R0.3 CNC(=O)C(=O)O W11373 [0,1,1,0,0,0|2,0,0]=4 502 B6R0.3 C\C=C(/C)C(=O)Cl F11166 [0,1,1,0,0,0|2,0,0]=4 503 B6R0.3 C\C=C(/C)C(=O)O D78012 [0,1,1,0,0,0|1,0,0]=3 504 B6R0.3 C\C=C(\C)C(=O)O 11732 [0,1,1,0,0,0|1,0,0]=3 505 B6R0.3 N[C@@H](CO)C(=O)O 29580 [0,1,1,0,0,0|0,0,2]=4 506 B6R0.3 N[C@@H](CO)C(=O)O 30744 [0,1,1,0,0,0|0,0,2]=4 507 B6R0.3 N[C@@H](CO)C(=O)O D70822 [0,1,1,0,0,0|0,0,2]=4 508 B6R0.3 O=C(O)C(=O)CBr 21724 [0,1,1,0,0,0|1,0,1]=4 509 B6R0.3 O=C(O)[C@@H](Br)CO AB10178 [0,1,1,0,0,0|0,0,2]=4 510 B6R0.3 O=C(O)[C@@H](O)CO A51166 [0,1,1,0,0,0|0,0,2]=4 511 B6R0.4 C=CCCC(=O)O O12040 [0,1,1,0,0,0|1,0,1]=4 512 B6R0.4 C=CCOC(=O)Cl D87847 [0,1,1,0,0,0|2,0,0]=4 513 B6R0.4 C=CCOC(N)=O D97550 [0,1,1,0,0,0|2,0,0]=4 514 B6R0.4 CC\C=C\C(=O)O D72497 [0,1,1,0,0,0|1,0,0]=3 515 B6R0.4 CC\C=C\C(=O)O P17755 [0,1,1,0,0,0|1,0,0]=3 516 B6R0.4 COCCC(=O)O F14687 [0,1,1,0,0,0|0,0,2]=4 517 B6R0.4 CO\C=C\C(C)=O D78013 [0,1,1,0,0,0|1,0,0]=3 518 B6R0.4 CO\C=C\C(C)=O F50213 [0,1,1,0,0,0|1,0,0]=3 519 B6R0.4 C\C=C\CC(=O)O D92067 [0,1,1,0,0,0|1,0,0]=3 520 B6R0.4 O=C(O)C#CCO 25830 [0,1,1,0,0,0|0,0,2]=4 521 B6R0.4 O=C(O)\C=C\CBr 84952 [0,1,1,0,0,0|1,0,0]=3 522 B6R0.4 O=CNCC(=O)O AC8948 [0,1,1,0,0,0|0,0,2]=4 523 B6R0.6 C=CCOCC=C D88230 [0,1,1,0,0,0|2,0,0]=4 524 B6R0.6 CCCC=CC=O D78252 [0,1,1,0,0,0|2,0,0]=4 525 B6R0.6 C\C=C\C=C\C=O D90909 [0,1,1,0,0,0|2,0,0]=4 526 B6R0.6 C\C=C\C=C\CO D77844 [0,1,1,0,0,0|2,0,0]=4 527 B6R1.10 O=P1([O-])OOO1 C13499 [0,1,0,0,1,0|2,0,0]=4 528 B8R1.2 O=CC1=CC=NC=C1 20088 [0,1,0,0,0,1|2,0,0]=4 529 B8R1.2 O=CC1=CCCOC1 35550 [0,1,0,0,0,1|1,0,1]=4 530 B8R1.2 O=CC1=CN=CC=C1 65498 [0,1,0,0,0,1|2,0,0]=4 531 B8R1.2 O=CC1=CN=CN=C1 67525 [0,1,0,0,0,1|2,0,0]=4 532 B8R1.2 O=CC1=CN=NC=C1 37051 [0,1,0,0,0,1|2,0,0]=4 533 B8R1.2 O=CC1=NC=CC=C1 D77679 [0,1,0,0,0,1|2,0,0]=4 534 B8R1.2 O=CC1=NC=CC=N1 29684 [0,1,0,0,0,1|2,0,0]=4 535 B8R1.2 O=CC1=NC=CN=C1 24785 [0,1,0,0,0,1|2,0,0]=4 536 B8R1.2 O=CC1=NN=CC=C1 37062 [0,1,0,0,0,1|2,0,0]=4 537 B8R1.2 O=NC1=CC=CC=C1 I10262 [0,1,0,0,0,1|2,0,0]=4 538 B8R1.2 O=[As]C1=CC=CC=C1 D91908 [0,1,0,0,0,1|2,0,0]=4 539 B8R1.2 O=[IH2]C1=CC=CC=C1 A11021 [0,1,0,0,0,1|2,0,0]=4 540 B8R1.3 CC1=CNC(=O)C=C1 CK2605 [0,1,0,0,0,1|2,0,0]=4 541 B8R1.3 CC1=CNC(=O)N=C1 W16753 [0,1,0,0,0,1|2,0,0]=4 542 B8R1.3 CC1=NNC(=O)C=C1 35005 [0,1,0,0,0,1|2,0,0]=4 543 B8R1.3 CC1=NNC(=O)C=C1 AB7619 [0,1,0,0,0,1|2,0,0]=4 544 B8R1.3 O=C1C=CC(Br)=NN1 O11566 [0,1,0,0,0,1|2,0,0]=4 545 B8R1.3 O=C1C=CC(Cl)=NN1 69394 [0,1,0,0,0,1|2,0,0]=4 546 B8R1.3 O=C1C=CC(O)=CN1 36364 [0,1,0,0,0,1|2,0,0]=4 547 B8R1.3 O=C1COC(=O)CO1 F20408 [0,1,0,0,0,1|1,0,1]=4 548 B8R1.3 O=C1N=CC(Br)=CN1 FD9019 [0,1,0,0,0,1|2,0,0]=4 549 B8R1.3 O=C1N=CC(Br)=CN1 P17992 [0,1,0,0,0,1|2,0,0]=4 550 B8R1.4 CC1=CC(=O)CCC1 S10448 [0,1,0,0,0,1|2,0,0]=4 551 B8R1.4 CC1=CC(=O)NN=C1 24791 [0,1,0,0,0,1|2,0,0]=4 552 B8R1.4 CC1=CN=CC(=O)N1 35315 [0,1,0,0,0,1|2,0,0]=4 553 B8R1.4 CC1=NC(=O)NC=C1 64361 [0,1,0,0,0,1|2,0,0]=4 554 B8R1.4 CC1=NC(=O)NC=C1 P10883 [0,1,0,0,0,1|2,0,0]=4 555 B8R1.4 NC1=CC(=O)CCC1 30084 [0,1,0,0,0,1|2,0,0]=4 556 B8R1.4 NC1=CC(=O)NC=C1 P10774 [0,1,0,0,0,1|2,0,0]=4 557 B8R1.4 NC1=CC=CC(=O)N1 33727 [0,1,0,0,0,1|2,0,0]=4 558 B8R1.4 NC1=CC=NC(=O)N1 22302 [0,1,0,0,0,1|2,0,0]=4 559 B8R1.4 NC1=NC=CC(=O)N1 23181 [0,1,0,0,0,1|2,0,0]=4 560 B8R1.4 O=C1C=C(Br)C=CN1 38972 [0,1,0,0,0,1|2,0,0]=4 561 B8R1.4 O=C1C=C(Cl)C=NN1 23902 [0,1,0,0,0,1|2,0,0]=4 562 B8R1.4 O=C1C=C(Cl)N=CN1 30140 [0,1,0,0,0,1|2,0,0]=4 563 B8R1.4 O=C1C=C(Cl)NC=N1 FD7369 [0,1,0,0,0,1|2,0,0]=4 564 B8R1.4 O=C1C=C(I)C=CN1 RB3370 [0,1,0,0,0,1|2,0,0]=4 565 B8R1.4 O=C1C=C(I)C=NN1 25645 [0,1,0,0,0,1|2,0,0]=4 566 B8R1.4 O=C1C=C(O)C=CN1 CK2604 [0,1,0,0,0,1|2,0,0]=4 567 B8R1.4 O=C1C=C(O)CCC1 D81514 [0,1,0,0,0,1|2,0,0]=4 568 B8R1.4 O=C1C=C(O)COC1 38542 [0,1,0,0,0,1|1,0,0]=3 569 B8R1.4 O=C1C=CNC(=O)C1 D80820 [0,1,0,0,0,1|2,0,0]=4 570 B8R1.4 O=C1C=CNC(=S)N1 AB7033 [0,1,0,0,0,1|2,0,0]=4 571 B8R1.4 O=C1C=CNC(Cl)=C1 AB6909 [0,1,0,0,0,1|2,0,0]=4 572 B8R1.4 O=C1C=NNC(=O)N1 60644 [0,1,0,0,0,1|2,0,0]=4 573 B8R1.4 O=C1COCC(=O)O1 D90041 [0,1,0,0,0,1|1,0,1]=4 574 B8R1.4 O=C1NC=CC(=S)N1 TD8160 [0,1,0,0,0,1|2,0,0]=4 575 B8R1.5 CC1=CC=CNC1=O D97281 [0,1,0,0,0,1|2,0,0]=4 576 B8R1.5 CN1C=CC=CC1=O 29296 [0,1,0,0,0,1|2,0,0]=4 577 B8R1.5 NC1=CC=CNC1=O 32959 [0,1,0,0,0,1|2,0,0]=4 578 B8R1.5 O=C1C=COC=C1O 25443 [0,1,0,0,0,1|1,0,0]=3 579 B8R1.5 O=C1N=CNC=C1Br 20248 [0,1,0,0,0,1|2,0,0]=4 580 B8R1.5 O=C1NC=CC=C1Br 52546 [0,1,0,0,0,1|2,0,0]=4 581 B8R1.5 O=C1NC=CC=C1O P19753 [0,1,0,0,0,1|2,0,0]=4 582 B8R1.5 O=C1NC=CN=C1Cl C71237 [0,1,0,0,0,1|2,0,0]=4 583 B8R1.5 O=C1NC=NC=C1Br 24647 [0,1,0,0,0,1|2,0,0]=4 584 B8R1.5 O=C1NN=CC=C1Cl 25742 [0,1,0,0,0,1|2,0,0]=4 585 B8R1.5 O=C1OC=CC=C1O FD13146 [0,1,0,0,0,1|1,0,0]=3 586 B8R1.1 CC1=CC(C#N)=NO1 24768 [0,2,0,0,0,0|2,0,0]=4 587 B8R1.1 CC1=CC(C=O)=NO1 29715 [0,2,0,0,0,0|1,0,0]=3 588 B8R1.1 CC1=CC(CN)=NO1 29741 [0,2,0,0,0,0|2,0,0]=4 589 B8R1.1 CC1=CC(CN)=NO1 71216 [0,2,0,0,0,0|2,0,0]=4 590 B8R1.1 CC1=CC(CO)=NO1 TD8128 [0,2,0,0,0,0|1,0,1]=4 591 B8R1.1 CC1=CC=C(C#N)O1 AT17405 [0,2,0,0,0,0|2,0,0]=4 592 B8R1.1 CC1=CC=C(C=O)O1 AC7802 [0,2,0,0,0,0|1,0,0]=3 593 B8R1.1 CC1=CC=C(C=O)S1 F11208 [0,2,0,0,0,0|1,1,0]=4 594 B8R1.1 CC1=CC=C(CN)O1 AT17190 [0,2,0,0,0,0|2,0,0]=4 595 B8R1.1 CC1=CC=C(CO)O1 55257 [0,2,0,0,0,0|1,0,1]=4 596 B8R1.1 CC1=CSC(C=O)=C1 F10375 [0,2,0,0,0,0|1,1,0]=4 597 B8R1.1 CC1=NC(C=O)=CO1 64592 [0,2,0,0,0,0|2,0,0]=4 598 B8R1.1 CC1=NNC(C=O)=C1 71136 [0,2,0,0,0,0|2,0,0]=4 599 B8R1.1 CC1=NOC(C=O)=C1 52031 [0,2,0,0,0,0|1,0,0]=3 600 B8R1.1 CC1=NOC(CO)=C1 F52509 [0,2,0,0,0,0|1,0,1]=4 601 B8R1.1 CCC1=NOC(N)=C1 Y10432 [0,2,0,0,0,0|2,0,0]=4 602 B8R1.1 CN1C=CC(C=O)=N1 83478 [0,2,0,0,0,0|2,0,0]=4 603 B8R1.1 COC1=CC(=O)NC1 C10650 [0,2,0,0,0,0|2,0,0]=4 604 B8R1.1 COC1=CC(N)=NO1 24049 [0,2,0,0,0,0|1,0,1]=4 605 B8R1.1 O=C1C=C(CBr)CO1 AC1838 [0,2,0,0,0,0|1,0,0]=3 606 B8R1.1 O=CC1=CC(Br)=CN1 24720 [0,2,0,0,0,0|2,0,0]=4 607 B8R1.1 O=CC1=CC(Br)=CO1 54612 [0,2,0,0,0,0|1,0,0]=3 608 B8R1.1 O=CC1=CC(Br)=CS1 21502 [0,2,0,0,0,0|1,1,0]=4 609 B8R1.1 O=CC1=CC(I)=CN1 C74720 [0,2,0,0,0,0|2,0,0]=4 610 B8R1.1 O=CC1=CC=C(Br)O1 FD17060 [0,2,0,0,0,0|1,0,0]=3 611 B8R1.1 O=CC1=CC=C(Br)S1 37587 [0,2,0,0,0,0|1,1,0]=4 612 B8R1.1 O=CC1=CC=C(Cl)O1 55259 [0,2,0,0,0,0|1,0,0]=3 613 B8R1.1 O=CC1=CC=C(Cl)S1 CL1306 [0,2,0,0,0,0|1,1,0]=4 614 B8R1.1 O=CC1=CC=C(I)O1 F12254 [0,2,0,0,0,0|1,0,0]=3 615 B8R1.7 CC(=O)C1=CC=CN1 F14878 [0,2,0,0,0,0|2,0,0]=4 616 B8R1.7 CC(=O)C1=CC=CO1 55774 [0,2,0,0,0,0|1,0,0]=3 617 B8R1.7 CC(=O)C1=CC=CS1 W18336 [0,2,0,0,0,0|1,1,0]=4 618 B8R1.7 CC(=O)C1=CCC=C1 TD8050 [0,2,0,0,0,0|2,0,0]=4 619 B8R1.7 CC(=O)C1=CNC=C1 30137 [0,2,0,0,0,0|2,0,0]=4 620 B8R1.7 CC(=O)C1=COC=C1 N12485 [0,2,0,0,0,0|1,0,0]=3 621 B8R1.7 CC(=O)C1=CSC=C1 50448 [0,2,0,0,0,0|1,1,0]=4 622 B8R1.7 CC(=O)C1=NNC=C1 36103 [0,2,0,0,0,0|2,0,0]=4 623 B8R1.7 CC(=O)C1=NNC=C1 D94907 [0,2,0,0,0,0|2,0,0]=4 624 B8R1.7 C[C@H](N)C1=COC=C1 N12469 [0,2,0,0,0,0|2,0,0]=4 625 B8R1.7 C[C@H](O)C1=CC=CO1 C74444 [0,2,0,0,0,0|1,0,1]=4 626 B8R1.7 NC(=O)C1=CC=CN1 D83540 [0,2,0,0,0,0|2,0,0]=4 627 B8R1.7 NC(=O)C1=CC=CO1 A51100 [0,2,0,0,0,0|1,0,0]=3 628 B8R1.7 NC(=O)C1=CC=CS1 D85795 [0,2,0,0,0,0|1,1,0]=4 629 B8R1.7 NC(=O)C1=NC=CO1 74132 [0,2,0,0,0,0|2,0,0]=4 630 B8R1.7 NC(=O)C1=NNC=C1 CL3448 [0,2,0,0,0,0|2,0,0]=4 631 B8R1.7 O=C(Cl)C1=CC=CS1 D78154 [0,2,0,0,0,0|1,1,0]=4 632 B8R1.7 O=C(Cl)C1=CC=NO1 D82349 [0,2,0,0,0,0|1,0,0]=3 633 B8R1.7 O=C(O)C1=CC=CN1 33105 [0,2,0,0,0,0|2,0,0]=4 634 B8R1.7 O=C(O)C1=CC=CS1 D70571 [0,2,0,0,0,0|1,1,0]=4 635 B8R1.7 O=C(O)C1=CC=NO1 28558 [0,2,0,0,0,0|1,0,0]=3 636 B8R1.7 O=C(O)C1=CC=NS1 62856 [0,2,0,0,0,0|1,1,0]=4 637 B8R1.7 O=C(O)C1=CCC=C1 36684 [0,2,0,0,0,0|2,0,0]=4 638 B8R1.7 O=C(O)C1=CN=CO1 80167 [0,2,0,0,0,0|2,0,0]=4 639 B8R1.7 O=C(O)C1=CNC=C1 65414 [0,2,0,0,0,0|2,0,0]=4 640 B8R1.7 O=C(O)C1=COC=C1 83420 [0,2,0,0,0,0|1,0,0]=3 641 B8R1.7 O=C(O)C1=COC=N1 64870 [0,2,0,0,0,0|2,0,0]=4 642 B8R1.7 O=C(O)C1=CON=C1 25393 [0,2,0,0,0,0|2,0,0]=4 643 B8R1.7 O=C(O)C1=CSC=C1 P17867 [0,2,0,0,0,0|1,1,0]=4 644 B8R1.7 O=C(O)C1=NNC=C1 CL3512 [0,2,0,0,0,0|2,0,0]=4 645 B8R1.7 O=C(O)C1=NOC=C1 24572 [0,2,0,0,0,0|1,0,0]=3 646 B8R1.7 O=C(O)C1=NON=C1 23711 [0,2,0,0,0,0|2,0,0]=4 647 B8R1.7 O=C([O-])C1=CC=CS1 F16481 [0,2,0,0,0,0|1,1,0]=4 648 B8R1.7 O=C([O-])C1=CC=CS1 H10133 [0,2,0,0,0,0|1,1,0]=4 649 B8R1.7 O=C([O-])C1=NC=CO1 57409 [0,2,0,0,0,0|2,0,0]=4 650 B8R1.7 O=[N+]([O-])C1=CC=CS1 F13472 [0,2,0,0,0,0|1,1,0]=4 651 B8R1.7 O=[N+]([O-])C1=CC=NN1 35026 [0,2,0,0,0,0|2,0,0]=4 652 B8R1.7 O=[N+]([O-])C1=NNC=C1 28978 [0,2,0,0,0,0|2,0,0]=4 653 B8R1.7 OB(O)C1=CC=CO1 30157 [0,2,0,0,0,0|1,0,1]=4 654 B8R1.7 OB(O)C1=COC=C1 61454 [0,2,0,0,0,0|1,0,1]=4 655 B8R1.8 CNCC1=CC=CO1 74988 [0,2,0,0,0,0|2,0,0]=4 656 B8R1.8 CSCC1=CC=CO1 D90650 [0,2,0,0,0,0|1,1,0]=4 657 B8R1.8 NCCC1=CC=CO1 51136 [0,2,0,0,0,0|2,0,0]=4 658 B8R1.11 CC1=C(C=O)SC=C1 75871 [0,2,0,0,0,0|1,1,0]=4 659 B8R1.11 CN1C=CC=C1C=O P15926 [0,2,0,0,0,0|2,0,0]=4 660 B8R1.11 CN1N=CC=C1C=O 83190 [0,2,0,0,0,0|2,0,0]=4 661 B8R1.11 CSC1=C(C)OC=C1 H11351 [0,2,0,0,0,0|1,1,0]=4 662 B8R1.11 N#CC1=CON=C1N D93405 [0,2,0,0,0,0|2,0,0]=4 663 B8R1.11 O=CC1=C(Br)C=CO1 65861 [0,2,0,0,0,0|1,0,0]=3 664 B8R1.11 O=CC1=C(Br)C=CS1 33089 [0,2,0,0,0,0|1,1,0]=4 665 B8R1.11 O=CC1=C(Cl)C=CS1 28685 [0,2,0,0,0,0|1,1,0]=4 666 B8R1.11 O=CC1=CSC=C1Br 88257 [0,2,0,0,0,0|1,1,0]=4 667 B8R1.18 C=C1CC(=O)OC1=O H10043 [0,2,0,0,0,0|1,0,1]=4 668 B8R1.18 CC1=C(C)OC(=O)O1 28609 [0,2,0,0,0,0|2,0,0]=4 669 B8R1.18 CC1=CC(=O)NC1=O W17771 [0,2,0,0,0,0|2,0,0]=4 670 B8R1.18 CC1=CC(=O)OC1=O 43889 [0,2,0,0,0,0|1,0,0]=3 671 B8R1.18 CC1=CC(=O)O[C@@H]1O 24560 [0,2,0,0,0,0|1,0,0]=3 672 B8R1.18 CC1=CC(=O)[C@H](C)O1 D90227 [0,2,0,0,0,0|1,0,0]=3 673 B8R1.18 CC1=CC(S)=C(C)O1 C15990 [0,2,0,0,0,0|1,1,0]=4 674 B8R1.18 CN1SC(Cl)=CC1=O C10636 [0,2,0,0,0,0|1,1,0]=4 675 B8R1.18 CN1SC(Cl)=CC1=O H10371 [0,2,0,0,0,0|1,1,0]=4 676 B8R1.18 O=C1C=C(Br)C(=O)N1 AC8268 [0,2,0,0,0,0|2,0,0]=4 677 B8R1.18 O=C1C=C(Br)C(=O)O1 C10222 [0,2,0,0,0,0|1,0,0]=3 678 B8R1.50 CC1=C(Br)C(N)=NO1 75738 [0,2,0,0,0,0|2,0,0]=4 679 B8R1.50 CC1=C(C)C(N)=NO1 34226 [0,2,0,0,0,0|2,0,0]=4 680 B8R1.50 CC1=C(O)C(=O)CC1 O10798 [0,2,0,0,0,0|2,0,0]=4 681 B8R1.50 CC1=C(O)C(=O)CO1 D95714 [0,2,0,0,0,0|1,0,0]=3 682 B8R1.50 CC1=C(O)COC1=O 71338 [0,2,0,0,0,0|1,0,0]=3 683 B8R1.50 CC1=NOC(C)=C1Br 37341 [0,2,0,0,0,0|2,0,0]=4 684 B8R1.50 CC1=NOC(C)=C1I 28076 [0,2,0,0,0,0|2,0,0]=4 685 B8R1.50 CC1=NOC(C)=C1N 51948 [0,2,0,0,0,0|2,0,0]=4 686 B8R1.50 CC1=NOC(N)=C1C 66218 [0,2,0,0,0,0|2,0,0]=4 687 B8R1.50 CN1C(=O)C=CC1=O F14903 [0,2,0,0,0,0|2,0,0]=4 688 B8R1.50 O=C1COC(=O)[C@H]1Cl D89461 [0,2,0,0,0,0|1,0,1]=4 689 B8R1.50 O=C1OCC(Br)=C1Br W10946 [0,2,0,0,0,0|1,0,0]=3 690 B8R1.50 O=C1SSC(Cl)=C1Cl A10848 [0,2,0,0,0,0|0,2,0]=4 691 B4R1.2 [Cl][Pt+]1C=C1 D81881 [0,0,0,0,2,0|2,0,0]=4 692 B8R1.22 O=C1C=CC=CC=C1 D74673 [0,0,0,0,0,2|2,0,0]=4 693 B8R1.22 O=C1C=CCCCC1 S10329 [0,0,0,0,0,2|2,0,0]=4