0 B6R1.1 C1=CCCC=C1 F17012 [0,0,0,0,0,0|1,0,3]=4 1 B6R1.1 C1=CCNCC1 37471 [0,0,0,0,0,0|0,0,2]=2 2 B6R1.1 C1=CCNCC1 AB7774 [0,0,0,0,0,0|0,0,2]=2 3 B6R1.1 C1=CCOCC1 37905 [0,0,0,0,0,0|1,0,2]=3 4 B6R1.1 C1=COCCC1 D78128 [0,0,0,0,0,0|1,0,2]=3 5 B6R1.1 C1CCNCC1 D77674 [0,0,0,0,0,0|0,0,0]=0 6 B6R1.1 C1CCNNC1 AB2862 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.1 C1CCONC1 72394 [0,0,0,0,0,0|1,0,0]=1 8 B6R1.1 C1CCSCC1 D78391 [0,0,0,0,0,0|1,0,0]=1 9 B6R1.1 C1CNCCN1 D97840 [0,0,0,0,0,0|1,0,0]=1 10 B6R1.1 C1COCCN1 D70343 [0,0,0,0,0,0|1,0,0]=1 11 B6R1.1 C1COCCN1 D95446 [0,0,0,0,0,0|1,0,0]=1 12 B6R1.1 C1COCCN1 F14226 [0,0,0,0,0,0|1,0,0]=1 13 B6R1.1 C1CSCCN1 P10015 [0,0,0,0,0,0|1,0,0]=1 14 B6R1.1 C1CSCCO1 D87969 [0,0,0,0,0,0|2,0,0]=2 15 B6R1.1 C1CSCSC1 S10678 [0,0,0,0,0,0|2,0,0]=2 16 B6R1.1 C1SCSCS1 D92358 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.3 BrC1=CCCCC1 N12373 [0,1,0,0,0,0|1,0,1]=3 18 B7R1.3 BrC1CCCCC1 P19773 [0,1,0,0,0,0|1,0,0]=2 19 B7R1.3 BrC1CCNCC1 CL3102 [0,1,0,0,0,0|0,0,0]=1 20 B7R1.3 BrC1CCOCC1 34656 [0,1,0,0,0,0|1,0,0]=2 21 B7R1.3 Br[C@@H]1C=CCCC1 25070 [0,1,0,0,0,0|1,0,1]=3 22 B7R1.3 Br[C@H]1CCCNC1 P16558 [0,1,0,0,0,0|0,0,0]=1 23 B7R1.3 Br[C@H]1CCCOC1 26576 [0,1,0,0,0,0|1,0,0]=2 24 B7R1.3 CC1=CCCCC1 H10759 [0,1,0,0,0,0|1,0,1]=3 25 B7R1.3 CC1=CCCNC1 39250 [0,1,0,0,0,0|0,0,2]=3 26 B7R1.3 CC1=CCNCC1 39249 [0,1,0,0,0,0|0,0,2]=3 27 B7R1.3 CC1SCCCS1 D75611 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.3 CN1CCNCC1 D70771 [0,1,0,0,0,0|1,0,0]=2 29 B7R1.3 CN1CCOCC1 AB7556 [0,1,0,0,0,0|1,0,0]=2 30 B7R1.3 C[C@H]1CCCCN1 64251 [0,1,0,0,0,0|0,0,0]=1 31 B7R1.3 C[C@H]1CCCCN1 64253 [0,1,0,0,0,0|0,0,0]=1 32 B7R1.3 C[C@H]1CCCNC1 79119 [0,1,0,0,0,0|0,0,0]=1 33 B7R1.3 C[C@H]1CCCNC1 N10739 [0,1,0,0,0,0|0,0,0]=1 34 B7R1.3 C[C@H]1CNCCN1 29363 [0,1,0,0,0,0|1,0,0]=2 35 B7R1.3 C[C@H]1CNCCN1 29364 [0,1,0,0,0,0|1,0,0]=2 36 B7R1.3 C[C@H]1CNCCN1 29365 [0,1,0,0,0,0|1,0,0]=2 37 B7R1.3 C[C@H]1CNCCN1 29366 [0,1,0,0,0,0|1,0,0]=2 38 B7R1.3 C[C@H]1CNCCO1 27675 [0,1,0,0,0,0|1,0,0]=2 39 B7R1.3 C[C@H]1CNCCO1 F13092 [0,1,0,0,0,0|1,0,0]=2 40 B7R1.3 C[C@H]1COCCN1 24436 [0,1,0,0,0,0|1,0,0]=2 41 B7R1.3 C[C@H]1COCCN1 25281 [0,1,0,0,0,0|1,0,0]=2 42 B7R1.3 C[C@H]1COCCN1 36208 [0,1,0,0,0,0|1,0,0]=2 43 B7R1.3 C[C@H]1COCCN1 39286 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.3 C[C@H]1COCCN1 63476 [0,1,0,0,0,0|1,0,0]=2 45 B7R1.3 ClC1CCNCC1 57750 [0,1,0,0,0,0|0,0,0]=1 46 B7R1.3 ClC1CCOCC1 F17652 [0,1,0,0,0,0|1,0,0]=2 47 B7R1.3 FC1CCNCC1 37042 [0,1,0,0,0,0|0,0,0]=1 48 B7R1.3 FC1CCNCC1 I11481 [0,1,0,0,0,0|0,0,0]=1 49 B7R1.3 F[C@H]1CCCNC1 37083 [0,1,0,0,0,0|0,0,0]=1 50 B7R1.3 IC1CCCCC1 F20359 [0,1,0,0,0,0|1,0,0]=2 51 B7R1.3 IC1CCOCC1 25900 [0,1,0,0,0,0|1,0,0]=2 52 B7R1.3 NC1CCNCC1 66081 [0,1,0,0,0,0|0,0,0]=1 53 B7R1.3 NC1CCNCC1 66087 [0,1,0,0,0,0|0,0,0]=1 54 B7R1.3 NC1CCOCC1 66544 [0,1,0,0,0,0|1,0,0]=2 55 B7R1.3 NC1CCOCC1 83442 [0,1,0,0,0,0|1,0,0]=2 56 B7R1.3 NC1CCOCC1 D95622 [0,1,0,0,0,0|1,0,0]=2 57 B7R1.3 NC1CCSCC1 F15695 [0,1,0,0,0,0|1,0,0]=2 58 B7R1.3 NC1CCSCC1 SC1591 [0,1,0,0,0,0|1,0,0]=2 59 B7R1.3 NN1CCCCC1 77856 [0,1,0,0,0,0|0,0,0]=1 60 B7R1.3 NN1CCCCC1 78303 [0,1,0,0,0,0|0,0,0]=1 61 B7R1.3 NN1CCOCC1 28683 [0,1,0,0,0,0|1,0,0]=2 62 B7R1.3 N[C@H]1CCCNC1 51800 [0,1,0,0,0,0|0,0,0]=1 63 B7R1.3 N[C@H]1CCCNC1 51802 [0,1,0,0,0,0|0,0,0]=1 64 B7R1.3 N[C@H]1CCCNC1 51816 [0,1,0,0,0,0|0,0,0]=1 65 B7R1.3 N[C@H]1CCCNC1 D77676 [0,1,0,0,0,0|0,0,0]=1 66 B7R1.3 N[C@H]1CCCOC1 53314 [0,1,0,0,0,0|1,0,0]=2 67 B7R1.3 N[C@H]1CCCOC1 69737 [0,1,0,0,0,0|1,0,0]=2 68 B7R1.3 N[C@H]1CCCOC1 P10539 [0,1,0,0,0,0|1,0,0]=2 69 B7R1.3 O=C1CCCCN1 F10312 [0,1,0,0,0,0|0,0,1]=2 70 B7R1.3 O=C1CCCCO1 20506 [0,1,0,0,0,0|1,0,1]=3 71 B7R1.3 O=C1CCCNC1 36189 [0,1,0,0,0,0|0,0,1]=2 72 B7R1.3 O=C1CCCNC1 65124 [0,1,0,0,0,0|0,0,1]=2 73 B7R1.3 O=C1CCCOC1 67990 [0,1,0,0,0,0|1,0,1]=3 74 B7R1.3 O=C1CCCSC1 38182 [0,1,0,0,0,0|1,0,1]=3 75 B7R1.3 O=C1CCNCC1 AB2978 [0,1,0,0,0,0|0,0,1]=2 76 B7R1.3 O=C1CCNCC1 AB7716 [0,1,0,0,0,0|0,0,1]=2 77 B7R1.3 O=C1CCOCC1 28100 [0,1,0,0,0,0|1,0,1]=3 78 B7R1.3 O=C1CCSCC1 34742 [0,1,0,0,0,0|1,0,1]=3 79 B7R1.3 O=C1CNCCN1 65258 [0,1,0,0,0,0|1,0,1]=3 80 B7R1.3 O=C1COCCN1 35814 [0,1,0,0,0,0|1,0,1]=3 81 B7R1.3 O=C1COCCO1 39291 [0,1,0,0,0,0|2,0,1]=4 82 B7R1.3 O=C1NCCCN1 F14817 [0,1,0,0,0,0|1,0,1]=3 83 B7R1.3 O=C1NCCCO1 30441 [0,1,0,0,0,0|1,0,1]=3 84 B7R1.3 O=C1OCCCO1 F20507 [0,1,0,0,0,0|2,0,1]=4 85 B7R1.3 O=S1CCNCC1 C10519 [0,1,0,0,0,0|1,0,0]=2 86 B7R1.3 O=S1OCCCO1 D90284 [0,1,0,0,0,0|3,0,0]=4 87 B7R1.3 OC1CCNCC1 34448 [0,1,0,0,0,0|0,0,0]=1 88 B7R1.3 OC1CCNCC1 67739 [0,1,0,0,0,0|0,0,0]=1 89 B7R1.3 OC1CCOCC1 67293 [0,1,0,0,0,0|1,0,0]=2 90 B7R1.3 OC1CCSCC1 25187 [0,1,0,0,0,0|1,0,0]=2 91 B7R1.3 OC1COCOC1 C10654 [0,1,0,0,0,0|2,0,0]=3 92 B7R1.3 ON1CCCCC1 65654 [0,1,0,0,0,0|0,0,0]=1 93 B7R1.3 O[C@@H]1C=CCCC1 59596 [0,1,0,0,0,0|1,0,1]=3 94 B7R1.3 O[C@@H]1CC=CCC1 D83542 [0,1,0,0,0,0|1,0,1]=3 95 B7R1.3 O[C@@H]1CCCCO1 F19855 [0,1,0,0,0,0|1,0,0]=2 96 B7R1.3 O[C@H]1CCCNC1 29155 [0,1,0,0,0,0|0,0,0]=1 97 B7R1.3 O[C@H]1CCCNC1 29156 [0,1,0,0,0,0|0,0,0]=1 98 B7R1.3 O[C@H]1CCCNC1 29157 [0,1,0,0,0,0|0,0,0]=1 99 B7R1.3 O[C@H]1CCCNC1 37164 [0,1,0,0,0,0|0,0,0]=1 100 B7R1.3 O[C@H]1CCCNC1 67738 [0,1,0,0,0,0|0,0,0]=1 101 B7R1.3 O[C@H]1CCCNC1 P10773 [0,1,0,0,0,0|0,0,0]=1 102 B7R1.3 O[C@H]1CCCOC1 25828 [0,1,0,0,0,0|1,0,0]=2 103 B7R1.3 S=C1NCCCN1 D97545 [0,1,0,0,0,0|1,0,1]=3 104 B5R0.2 BrCCCCBr D77910 [0,0,1,0,0,0|2,0,0]=3 105 B5R0.2 C#CCCCC 75209 [0,0,1,0,0,0|1,0,1]=3 106 B5R0.2 C#CCCCCl 76259 [0,0,1,0,0,0|1,0,2]=4 107 B5R0.2 C#CCCCO 32105 [0,0,1,0,0,0|1,0,2]=4 108 B5R0.2 C=CCCCBr 78391 [0,0,1,0,0,0|1,0,2]=4 109 B5R0.2 C=CCCCCl O11411 [0,0,1,0,0,0|1,0,2]=4 110 B5R0.2 C=CCCCN 68255 [0,0,1,0,0,0|0,0,2]=3 111 B5R0.2 C=CCCCN 86153 [0,0,1,0,0,0|0,0,2]=3 112 B5R0.2 C=CCCCO 76184 [0,0,1,0,0,0|1,0,2]=4 113 B5R0.2 CCC#CCO F19221 [0,0,1,0,0,0|1,0,2]=4 114 B5R0.2 CCCCNN F17594 [0,0,1,0,0,0|1,0,0]=2 115 B5R0.2 CCCCON H11431 [0,0,1,0,0,0|1,0,0]=2 116 B5R0.2 CCCNCC F21346 [0,0,1,0,0,0|0,0,0]=1 117 B5R0.2 CCNCCN AB11316 [0,0,1,0,0,0|1,0,0]=2 118 B5R0.2 CCNCCO 20098 [0,0,1,0,0,0|1,0,0]=2 119 B5R0.2 CCOCCCl 29431 [0,0,1,0,0,0|2,0,0]=3 120 B5R0.2 CCSCCCl D89330 [0,0,1,0,0,0|2,0,0]=3 121 B5R0.2 CCSSCC D89662 [0,0,1,0,0,0|2,0,0]=3 122 B5R0.2 CNCCC#N 75878 [0,0,1,0,0,0|1,0,1]=3 123 B5R0.2 CNCCCCl F16501 [0,0,1,0,0,0|1,0,0]=2 124 B5R0.2 CNCCCN 37144 [0,0,1,0,0,0|1,0,0]=2 125 B5R0.2 CNCCCO 36133 [0,0,1,0,0,0|1,0,0]=2 126 B5R0.2 CNCCNC 39416 [0,0,1,0,0,0|1,0,0]=2 127 B5R0.2 CNCCOC D70346 [0,0,1,0,0,0|1,0,0]=2 128 B5R0.2 CNCCSC AC2521 [0,0,1,0,0,0|1,0,0]=2 129 B5R0.2 COCCC#N D71223 [0,0,1,0,0,0|1,0,2]=4 130 B5R0.2 COCCCBr F11235 [0,0,1,0,0,0|2,0,0]=3 131 B5R0.2 COCCCCl H11766 [0,0,1,0,0,0|2,0,0]=3 132 B5R0.2 COCCCN D81053 [0,0,1,0,0,0|1,0,0]=2 133 B5R0.2 COCCNN 72234 [0,0,1,0,0,0|2,0,0]=3 134 B5R0.2 COCCOC D81126 [0,0,1,0,0,0|2,0,0]=3 135 B5R0.2 COCCOC D83907 [0,0,1,0,0,0|2,0,0]=3 136 B5R0.2 COCCOC F16635 [0,0,1,0,0,0|2,0,0]=3 137 B5R0.2 COCCON D82747 [0,0,1,0,0,0|2,0,0]=3 138 B5R0.2 CSCCCO 79218 [0,0,1,0,0,0|2,0,0]=3 139 B5R0.2 CSCCC[NH3+] D91382 [0,0,1,0,0,0|1,0,1]=3 140 B5R0.2 C\C=C/CCC D90857 [0,0,1,0,0,0|1,0,1]=3 141 B5R0.2 ClCCCCBr F11271 [0,0,1,0,0,0|2,0,0]=3 142 B5R0.2 ClCCCCI A10998 [0,0,1,0,0,0|2,0,0]=3 143 B5R0.2 ClCCOCCl 29087 [0,0,1,0,0,0|3,0,0]=4 144 B5R0.2 FCCCCBr D87758 [0,0,1,0,0,0|2,0,0]=3 145 B5R0.2 ICCCCI AC1274 [0,0,1,0,0,0|2,0,0]=3 146 B5R0.2 N#CCCCBr 35256 [0,0,1,0,0,0|1,0,2]=4 147 B5R0.2 N#CCCCCl 20443 [0,0,1,0,0,0|1,0,2]=4 148 B5R0.2 N#CCCNN F12186 [0,0,1,0,0,0|2,0,1]=4 149 B5R0.2 NCCCCBr 24475 [0,0,1,0,0,0|1,0,0]=2 150 B5R0.2 NCCCCN F17678 [0,0,1,0,0,0|1,0,0]=2 151 B5R0.2 NCCCCN N11902 [0,0,1,0,0,0|1,0,0]=2 152 B5R0.2 NCCCCO 51530 [0,0,1,0,0,0|1,0,0]=2 153 B5R0.2 NC\C=C/CCl C11378 [0,0,1,0,0,0|1,0,2]=4 154 B5R0.2 OCCCCBr 54526 [0,0,1,0,0,0|2,0,0]=3 155 B5R0.2 OCCCCCl F11085 [0,0,1,0,0,0|2,0,0]=3 156 B5R0.2 OCCCCI D81265 [0,0,1,0,0,0|2,0,0]=3 157 B5R0.2 OCCNCO D91013 [0,0,1,0,0,0|2,0,0]=3 158 B7R2.13 C1CC2OC2C1 28601 [0,0,0,1,0,0|1,0,0]=2 159 B7R2.13 C1NCC2CC12 80416 [0,0,0,1,0,0|0,0,0]=1 160 B7R2.13 C1OCC2OC12 39124 [0,0,0,1,0,0|2,0,0]=3 161 B5R1.1 C1=CCNC1 23121 [0,0,0,0,1,0|0,0,2]=3 162 B5R1.1 C1=CCNC1 39302 [0,0,0,0,1,0|0,0,2]=3 163 B5R1.1 C1=CCOC1 F11214 [0,0,0,0,1,0|1,0,2]=4 164 B5R1.1 C1CCNC1 A12343 [0,0,0,0,1,0|0,0,0]=1 165 B5R1.1 C1CCNC1 D95438 [0,0,0,0,1,0|0,0,0]=1 166 B5R1.1 C1CCOC1 D97750 [0,0,0,0,1,0|1,0,0]=2 167 B5R1.1 C1CNOC1 72098 [0,0,0,0,1,0|1,0,0]=2 168 B5R1.1 C1COCO1 D89731 [0,0,0,0,1,0|2,0,0]=3 169 B5R1.1 C1CSCN1 H10192 [0,0,0,0,1,0|1,0,0]=2 170 B5R1.1 C1CSCN1 H11361 [0,0,0,0,1,0|1,0,0]=2 171 B7R1.24 C1CNCCNC1 F10906 [0,0,0,0,0,1|0,0,0]=1 172 B7R1.24 C1CNCCOC1 31105 [0,0,0,0,0,1|0,0,0]=1 173 B4R0.2 C#CCNC 76738 [1,0,1,0,0,0|0,0,2]=4 174 B4R0.2 C=CCCC FD10489 [1,0,1,0,0,0|0,0,2]=4 175 B4R0.2 C=CCCN 68196 [1,0,1,0,0,0|0,0,2]=4 176 B4R0.2 C=CCNC F21270 [1,0,1,0,0,0|0,0,2]=4 177 B4R0.2 CCCNC A10770 [1,0,1,0,0,0|0,0,0]=2 178 B4R0.2 CCCNN C10870 [1,0,1,0,0,0|1,0,0]=3 179 B4R0.2 CCNC=O F19558 [1,0,1,0,0,0|1,0,1]=4 180 B4R0.2 CCNCC D78025 [1,0,1,0,0,0|0,0,0]=2 181 B4R0.2 CCNCC D89842 [1,0,1,0,0,0|0,0,0]=2 182 B4R0.2 CCNCC D90318 [1,0,1,0,0,0|0,0,0]=2 183 B4R0.2 CCNOC D80678 [1,0,1,0,0,0|1,0,0]=3 184 B4R0.2 CCOCCl D89215 [1,0,1,0,0,0|2,0,0]=4 185 B4R0.2 CNCC#N 36732 [1,0,1,0,0,0|1,0,1]=4 186 B4R0.2 CNCCBr F13405 [1,0,1,0,0,0|1,0,0]=3 187 B4R0.2 CNCCCl 71064 [1,0,1,0,0,0|1,0,0]=3 188 B4R0.2 CNCCN D76853 [1,0,1,0,0,0|1,0,0]=3 189 B4R0.2 CNCCN SC1801 [1,0,1,0,0,0|1,0,0]=3 190 B4R0.2 COCCBr P19803 [1,0,1,0,0,0|2,0,0]=4 191 B4R0.2 COCCN F14847 [1,0,1,0,0,0|1,0,0]=3 192 B4R0.2 CSCCBr 79497 [1,0,1,0,0,0|2,0,0]=4 193 B4R0.2 CSCCO 28828 [1,0,1,0,0,0|2,0,0]=4 194 B4R0.2 CSCSC D88765 [1,0,1,0,0,0|2,0,0]=4 195 B4R0.2 C\C=C/CC D91891 [1,0,1,0,0,0|0,0,2]=4 196 B4R0.2 ClCCCI AC1314 [1,0,1,0,0,0|2,0,0]=4 197 B4R0.2 FCCCI S11237 [1,0,1,0,0,0|2,0,0]=4 198 B4R0.2 ICCCI A10836 [1,0,1,0,0,0|2,0,0]=4 199 B4R0.2 N#CCCN D77355 [1,0,1,0,0,0|1,0,1]=4 200 B4R0.2 NCCCBr AC7868 [1,0,1,0,0,0|1,0,0]=3 201 B4R0.2 NCCCCl D70608 [1,0,1,0,0,0|1,0,0]=3 202 B4R0.2 NCCCO D77871 [1,0,1,0,0,0|1,0,0]=3 203 B4R0.2 NCCON SC1781 [1,0,1,0,0,0|2,0,0]=4 204 B4R0.2 NNCCO D77684 [1,0,1,0,0,0|2,0,0]=4 205 B4R0.2 NOCCO 32348 [1,0,1,0,0,0|2,0,0]=4 206 B4R0.2 OCCCBr 36754 [1,0,1,0,0,0|2,0,0]=4 207 B4R0.2 OCCCF 61100 [1,0,1,0,0,0|2,0,0]=4 208 B4R0.2 OCCCI 75858 [1,0,1,0,0,0|2,0,0]=4 209 B4R0.2 SCCCS F20376 [1,0,1,0,0,0|2,0,0]=4 210 B6R0.1 C=C[C@@H](O)CCC D90922 [0,1,1,0,0,0|1,0,1]=4 211 B6R0.1 CCCC(=O)CC D90801 [0,1,1,0,0,0|1,0,0]=3 212 B6R0.1 CCCC(=O)NN O11707 [0,1,1,0,0,0|1,0,1]=4 213 B6R0.1 CCCC(=O)SC D91533 [0,1,1,0,0,0|1,0,1]=4 214 B6R0.1 CCC[C@@H](Cl)CC D76318 [0,1,1,0,0,0|1,0,0]=3 215 B6R0.1 CCC[C@H](C)CCl D89415 [0,1,1,0,0,0|1,0,0]=3 216 B6R0.1 CCC[C@H](N)CO A10468 [0,1,1,0,0,0|1,0,0]=3 217 B6R0.1 CCC[C@H](O)CO 73676 [0,1,1,0,0,0|1,0,0]=3 218 B6R0.1 CCOC(=N)CC W15737 [0,1,1,0,0,0|1,0,1]=4 219 B6R0.1 CCOC(=O)CN C93496 [0,1,1,0,0,0|1,0,1]=4 220 B6R0.1 CCOC(=O)NC D91332 [0,1,1,0,0,0|1,0,1]=4 221 B6R0.1 CCO[C@@H](C)CC D88933 [0,1,1,0,0,0|1,0,0]=3 222 B6R0.1 CNCC(=O)NC 71568 [0,1,1,0,0,0|1,0,1]=4 223 B6R0.1 CNCC(=O)OC 73733 [0,1,1,0,0,0|1,0,1]=4 224 B6R0.1 CNC[C@H](O)CO CL4501 [0,1,1,0,0,0|1,0,0]=3 225 B6R0.1 COC(=O)CCN S12362 [0,1,1,0,0,0|1,0,1]=4 226 B6R0.1 COC[C@@H](O)CO H10736 [0,1,1,0,0,0|2,0,0]=4 227 B6R0.1 COC[C@H](O)CCl D84795 [0,1,1,0,0,0|2,0,0]=4 228 B6R0.1 CO[C@@H](C)CCO D77758 [0,1,1,0,0,0|2,0,0]=4 229 B6R0.1 C[C@H](CO)CCN 78036 [0,1,1,0,0,0|1,0,0]=3 230 B6R0.1 C[C@H](CO)CCO 63982 [0,1,1,0,0,0|2,0,0]=4 231 B6R0.1 C[C@H](CO)CCO 70021 [0,1,1,0,0,0|2,0,0]=4 232 B6R0.1 OCC[C@H](O)CCl D94503 [0,1,1,0,0,0|2,0,0]=4 233 B6R0.1 OCC[C@H](O)CO 56159 [0,1,1,0,0,0|2,0,0]=4 234 B6R0.1 OCC[C@H](O)CO 56160 [0,1,1,0,0,0|2,0,0]=4 235 B6R0.1 OCC[C@H](O)CO AC2226 [0,1,1,0,0,0|2,0,0]=4 236 B6R0.1 O[C@H](CBr)CCBr F14612 [0,1,1,0,0,0|2,0,0]=4 237 B6R0.4 C=C(C)CNCC D95542 [0,1,1,0,0,0|0,0,1]=3 238 B6R0.4 CC(=O)CCCCl D77754 [0,1,1,0,0,0|1,0,1]=4 239 B6R0.4 CC(=O)CCCO 24602 [0,1,1,0,0,0|1,0,1]=4 240 B6R0.4 CC(=O)NCCN D70867 [0,1,1,0,0,0|1,0,1]=4 241 B6R0.4 CC(=O)NCCO FD10637 [0,1,1,0,0,0|1,0,1]=4 242 B6R0.4 CC(=O)NCCS AT13754 [0,1,1,0,0,0|1,0,1]=4 243 B6R0.4 CC(C)CCCBr O10389 [0,1,1,0,0,0|1,0,0]=3 244 B6R0.4 CC(C)CCCO F20439 [0,1,1,0,0,0|1,0,0]=3 245 B6R0.4 CC(C)NCCCl 20398 [0,1,1,0,0,0|1,0,0]=3 246 B6R0.4 CC(C)NCCO D78491 [0,1,1,0,0,0|1,0,0]=3 247 B6R0.4 CCCCB(O)O 33151 [0,1,1,0,0,0|2,0,0]=4 248 B6R0.4 CCCCC(=N)N 31933 [0,1,1,0,0,0|0,0,1]=3 249 B6R0.4 CCCCC(=N)N W16181 [0,1,1,0,0,0|0,0,1]=3 250 B6R0.4 CCCCC(=O)[O-] F16484 [0,1,1,0,0,0|1,0,1]=4 251 B6R0.4 CCCCC(N)=O A10835 [0,1,1,0,0,0|0,0,1]=3 252 B6R0.4 CCCNC(C)=O D97464 [0,1,1,0,0,0|0,0,1]=3 253 B6R0.4 CCCNC(N)=S D86341 [0,1,1,0,0,0|1,0,1]=4 254 B6R0.4 CCCOC(N)=O F16337 [0,1,1,0,0,0|1,0,1]=4 255 B6R0.4 CCCSC(C)=O D92148 [0,1,1,0,0,0|1,0,1]=4 256 B6R0.4 CCOCC(C)C D93520 [0,1,1,0,0,0|1,0,0]=3 257 B6R0.4 CN(C)CCCBr 25428 [0,1,1,0,0,0|1,0,0]=3 258 B6R0.4 CN(C)CCCCl 23626 [0,1,1,0,0,0|1,0,0]=3 259 B6R0.4 CN(C)CCCCl AC7814 [0,1,1,0,0,0|1,0,0]=3 260 B6R0.4 CN(C)CCCS D93440 [0,1,1,0,0,0|1,0,0]=3 261 B6R0.4 CNCCC(=O)O 29150 [0,1,1,0,0,0|1,0,1]=4 262 B6R0.4 CNCCC(=O)O C76064 [0,1,1,0,0,0|1,0,1]=4 263 B6R0.4 CNCCN(C)C 20029 [0,1,1,0,0,0|1,0,0]=3 264 B6R0.4 CNCCN(C)C 24589 [0,1,1,0,0,0|1,0,0]=3 265 B6R0.4 COCCC(=N)N W16180 [0,1,1,0,0,0|1,0,1]=4 266 B6R0.4 COCCN(C)C A11162 [0,1,1,0,0,0|1,0,0]=3 267 B6R0.4 CSCCC(C)=O D91573 [0,1,1,0,0,0|1,0,1]=4 268 B6R0.4 C[C@H](Br)CCCBr F14613 [0,1,1,0,0,0|1,0,0]=3 269 B6R0.4 C[C@H](O)CCCO 22874 [0,1,1,0,0,0|1,0,0]=3 270 B6R0.4 NCCCC(=O)O D70585 [0,1,1,0,0,0|1,0,1]=4 271 B6R0.6 BrCCCCCBr D70772 [0,1,1,0,0,0|1,0,0]=3 272 B6R0.6 BrCCOCCBr 12226 [0,1,1,0,0,0|2,0,0]=4 273 B6R0.6 C#CCCCCO F10490 [0,1,1,0,0,0|1,0,1]=4 274 B6R0.6 C#CCOCCN C70245 [0,1,1,0,0,0|0,0,2]=4 275 B6R0.6 C=CCCCCBr F14895 [0,1,1,0,0,0|1,0,1]=4 276 B6R0.6 C=CCCCCCl N11935 [0,1,1,0,0,0|1,0,1]=4 277 B6R0.6 C=CCCCCO 35574 [0,1,1,0,0,0|1,0,1]=4 278 B6R0.6 C=COCCCN 75654 [0,1,1,0,0,0|0,0,2]=4 279 B6R0.6 CCC#CCCO F11743 [0,1,1,0,0,0|1,0,1]=4 280 B6R0.6 CCCC#CCO D90881 [0,1,1,0,0,0|1,0,1]=4 281 B6R0.6 CCCCCCI F20355 [0,1,1,0,0,0|1,0,0]=3 282 B6R0.6 CCCCCCN F19564 [0,1,1,0,0,0|0,0,0]=2 283 B6R0.6 CCCCCNC D91584 [0,1,1,0,0,0|0,0,0]=2 284 B6R0.6 CCCCN=C=S D91107 [0,1,1,0,0,0|0,0,2]=4 285 B6R0.6 CCCNCCC D89745 [0,1,1,0,0,0|0,0,0]=2 286 B6R0.6 CCCNCCO C10761 [0,1,1,0,0,0|0,0,0]=2 287 B6R0.6 CCCOCCCl H10822 [0,1,1,0,0,0|1,0,0]=3 288 B6R0.6 CCC\C=C\CO D78301 [0,1,1,0,0,0|1,0,1]=4 289 B6R0.6 CCNCCCN D82016 [0,1,1,0,0,0|0,0,0]=2 290 B6R0.6 CCNCCCO 31655 [0,1,1,0,0,0|0,0,0]=2 291 B6R0.6 CCNCCOC H11999 [0,1,1,0,0,0|0,0,0]=2 292 B6R0.6 CCOCCCCl D95770 [0,1,1,0,0,0|1,0,0]=3 293 B6R0.6 CCOCCCO D95933 [0,1,1,0,0,0|1,0,0]=3 294 B6R0.6 CC\C=C/CCO 73722 [0,1,1,0,0,0|1,0,1]=4 295 B6R0.6 CNCCCCO F10210 [0,1,1,0,0,0|0,0,0]=2 296 B6R0.6 COCCCCBr F13727 [0,1,1,0,0,0|1,0,0]=3 297 B6R0.6 COCCCCCl 28715 [0,1,1,0,0,0|1,0,0]=3 298 B6R0.6 COCCCCO D78159 [0,1,1,0,0,0|1,0,0]=3 299 B6R0.6 COCCOCCl H11303 [0,1,1,0,0,0|2,0,0]=4 300 B6R0.6 COCOCOC 75328 [0,1,1,0,0,0|2,0,0]=4 301 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [0,1,1,0,0,0|0,0,1]=3 302 B6R0.6 ClCCCCCBr S10881 [0,1,1,0,0,0|1,0,0]=3 303 B6R0.6 ClCCCCCI A10955 [0,1,1,0,0,0|1,0,0]=3 304 B6R0.6 ClCCNCCCl 97536 [0,1,1,0,0,0|1,0,0]=3 305 B6R0.6 FCCCCCBr 24471 [0,1,1,0,0,0|1,0,0]=3 306 B6R0.6 ICCCCCI P10001 [0,1,1,0,0,0|1,0,0]=3 307 B6R0.6 ICCOCCI C90294 [0,1,1,0,0,0|2,0,0]=4 308 B6R0.6 N#CCCCCCl 28437 [0,1,1,0,0,0|0,0,2]=4 309 B6R0.6 N#CCCCCN S10714 [0,1,1,0,0,0|0,0,1]=3 310 B6R0.6 NCCCCCN D83408 [0,1,1,0,0,0|0,0,0]=2 311 B6R0.6 NCCCCCO I11482 [0,1,1,0,0,0|0,0,0]=2 312 B6R0.6 NCCNCCO D77720 [0,1,1,0,0,0|1,0,0]=3 313 B6R0.6 NCCOCCN 75244 [0,1,1,0,0,0|1,0,0]=3 314 B6R0.6 NCCOCCN 75301 [0,1,1,0,0,0|1,0,0]=3 315 B6R0.6 NCCOCCO C70233 [0,1,1,0,0,0|1,0,0]=3 316 B6R0.6 NCCSCCN FD10524 [0,1,1,0,0,0|1,0,0]=3 317 B6R0.6 O=CCCCCCl C10094 [0,1,1,0,0,0|1,0,1]=4 318 B6R0.6 O=CCCCCO F19841 [0,1,1,0,0,0|1,0,1]=4 319 B6R0.6 OCCCCCBr 23140 [0,1,1,0,0,0|1,0,0]=3 320 B6R0.6 OCCCCCCl O11412 [0,1,1,0,0,0|1,0,0]=3 321 B6R0.6 OCCNCCCl F50591 [0,1,1,0,0,0|1,0,0]=3 322 B6R0.6 OCCNCCO D92250 [0,1,1,0,0,0|1,0,0]=3 323 B6R0.6 OCCOCCBr S10705 [0,1,1,0,0,0|2,0,0]=4 324 B6R0.6 OCCOCCCl D72518 [0,1,1,0,0,0|2,0,0]=4 325 B6R0.6 SCCCCCS D92137 [0,1,1,0,0,0|1,0,0]=3 326 B6R0.6 SCCSCCS D91485 [0,1,1,0,0,0|2,0,0]=4 327 B6R1.2 Br[C@H]1CCNC1 23535 [0,1,0,0,1,0|0,0,0]=2 328 B6R1.2 Br[C@H]1CCOC1 25079 [0,1,0,0,1,0|1,0,0]=3 329 B6R1.2 CC1=NCCC1 35340 [0,1,0,0,1,0|0,0,2]=4 330 B6R1.2 CC1=NCCN1 S11926 [0,1,0,0,1,0|1,0,1]=4 331 B6R1.2 CN1CCCC1 D78045 [0,1,0,0,1,0|0,0,0]=2 332 B6R1.2 C[C@H]1CCCN1 11755 [0,1,0,0,1,0|0,0,0]=2 333 B6R1.2 C[C@H]1CCCN1 23331 [0,1,0,0,1,0|0,0,0]=2 334 B6R1.2 C[C@H]1CCCN1 64834 [0,1,0,0,1,0|0,0,0]=2 335 B6R1.2 C[C@H]1CCCN1 64835 [0,1,0,0,1,0|0,0,0]=2 336 B6R1.2 C[C@H]1CCCN1 64836 [0,1,0,0,1,0|0,0,0]=2 337 B6R1.2 C[C@H]1CCCS1 TD8134 [0,1,0,0,1,0|1,0,0]=3 338 B6R1.2 C[C@H]1CCNC1 69325 [0,1,0,0,1,0|0,0,0]=2 339 B6R1.2 C[C@H]1CCNC1 69329 [0,1,0,0,1,0|0,0,0]=2 340 B6R1.2 C[C@H]1CCOC1 F16704 [0,1,0,0,1,0|1,0,0]=3 341 B6R1.2 C[S+]1CCCC1 AC8164 [0,1,0,0,1,0|1,0,0]=3 342 B6R1.2 F[C@H]1CCNC1 26948 [0,1,0,0,1,0|0,0,0]=2 343 B6R1.2 F[C@H]1CCNC1 37160 [0,1,0,0,1,0|0,0,0]=2 344 B6R1.2 F[C@H]1CCNC1 83419 [0,1,0,0,1,0|0,0,0]=2 345 B6R1.2 IC1CCCC1 P10039 [0,1,0,0,1,0|0,0,0]=2 346 B6R1.2 I[C@H]1CCOC1 82009 [0,1,0,0,1,0|1,0,0]=3 347 B6R1.2 N=C1CCCS1 H10471 [0,1,0,0,1,0|1,0,1]=4 348 B6R1.2 NC1=NCCC1 23751 [0,1,0,0,1,0|0,0,2]=4 349 B6R1.2 NC1CC=CC1 66023 [0,1,0,0,1,0|0,0,2]=4 350 B6R1.2 NC1CCCC1 22312 [0,1,0,0,1,0|0,0,0]=2 351 B6R1.2 N[C@H]1CCNC1 41400 [0,1,0,0,1,0|0,0,0]=2 352 B6R1.2 N[C@H]1CCNC1 52206 [0,1,0,0,1,0|0,0,0]=2 353 B6R1.2 N[C@H]1CCNC1 70366 [0,1,0,0,1,0|0,0,0]=2 354 B6R1.2 N[C@H]1CCNC1 N12040 [0,1,0,0,1,0|0,0,0]=2 355 B6R1.2 N[C@H]1CCNC1 S10941 [0,1,0,0,1,0|0,0,0]=2 356 B6R1.2 N[C@H]1CCNC1 T70189 [0,1,0,0,1,0|0,0,0]=2 357 B6R1.2 N[C@H]1CCOC1 24756 [0,1,0,0,1,0|1,0,0]=3 358 B6R1.2 N[C@H]1CCOC1 29281 [0,1,0,0,1,0|1,0,0]=3 359 B6R1.2 N[C@H]1CCOC1 37020 [0,1,0,0,1,0|1,0,0]=3 360 B6R1.2 N[C@H]1CCOC1 37021 [0,1,0,0,1,0|1,0,0]=3 361 B6R1.2 N[C@H]1CCOC1 53315 [0,1,0,0,1,0|1,0,0]=3 362 B6R1.2 N[C@H]1CCOC1 SC1299 [0,1,0,0,1,0|1,0,0]=3 363 B6R1.2 O=C1CCCN1 D95709 [0,1,0,0,1,0|0,0,1]=3 364 B6R1.2 O=C1CCCN1 D96808 [0,1,0,0,1,0|0,0,1]=3 365 B6R1.2 O=C1CCNC1 65410 [0,1,0,0,1,0|0,0,1]=3 366 B6R1.2 O=C1CCNN1 F15485 [0,1,0,0,1,0|1,0,1]=4 367 B6R1.2 O=C1CCOC1 28102 [0,1,0,0,1,0|1,0,1]=4 368 B6R1.2 O=C1CCSC1 37995 [0,1,0,0,1,0|1,0,1]=4 369 B6R1.2 O=C1NCCN1 D71145 [0,1,0,0,1,0|1,0,1]=4 370 B6R1.2 O=C1NCCO1 C93484 [0,1,0,0,1,0|1,0,1]=4 371 B6R1.2 O=C1NCCS1 35133 [0,1,0,0,1,0|1,0,1]=4 372 B6R1.2 O=S1CCCC1 D92307 [0,1,0,0,1,0|1,0,0]=3 373 B6R1.2 OC1=NNCC1 I10060 [0,1,0,0,1,0|1,0,1]=4 374 B6R1.2 OC1CC=CC1 68362 [0,1,0,0,1,0|0,0,2]=4 375 B6R1.2 O[C@@H]1CCCO1 31275 [0,1,0,0,1,0|1,0,0]=3 376 B6R1.2 O[C@H]1CCNC1 29173 [0,1,0,0,1,0|0,0,0]=2 377 B6R1.2 O[C@H]1CCNC1 29174 [0,1,0,0,1,0|0,0,0]=2 378 B6R1.2 O[C@H]1CCNC1 29175 [0,1,0,0,1,0|0,0,0]=2 379 B6R1.2 O[C@H]1CCNC1 38203 [0,1,0,0,1,0|0,0,0]=2 380 B6R1.2 O[C@H]1CCNC1 62968 [0,1,0,0,1,0|0,0,0]=2 381 B6R1.2 O[C@H]1CCNC1 62970 [0,1,0,0,1,0|0,0,0]=2 382 B6R1.2 O[C@H]1CCOC1 37369 [0,1,0,0,1,0|1,0,0]=3 383 B6R1.2 O[C@H]1CCOC1 66692 [0,1,0,0,1,0|1,0,0]=3 384 B6R1.2 O[C@H]1CCOC1 66694 [0,1,0,0,1,0|1,0,0]=3 385 B6R1.2 O[C@H]1CCSC1 W10543 [0,1,0,0,1,0|1,0,0]=3 386 B6R1.2 O[C@H]1CNOC1 31853 [0,1,0,0,1,0|1,0,0]=3 387 B6R1.2 S=C1CCCN1 D95546 [0,1,0,0,1,0|0,0,1]=3 388 B6R1.2 S=C1NCCN1 A10690 [0,1,0,0,1,0|1,0,1]=4 389 B6R1.2 S=C1NCCO1 79469 [0,1,0,0,1,0|1,0,1]=4 390 B6R1.2 SC1CCCC1 D89300 [0,1,0,0,1,0|0,0,0]=2 391 B8R1.22 C=C1OCCCCO1 A10906 [0,1,0,0,0,1|1,0,1]=4 392 B8R1.22 CN1CCCNCC1 63976 [0,1,0,0,0,1|0,0,0]=2 393 B8R1.22 C[C@H]1CCCNCC1 72644 [0,1,0,0,0,1|0,0,0]=2 394 B8R1.22 ClC1CCCCCC1 D81846 [0,1,0,0,0,1|1,0,0]=3 395 B8R1.22 NC1CCCCCC1 F19821 [0,1,0,0,0,1|1,0,0]=3 396 B8R1.22 N[C@H]1CCCCNC1 51061 [0,1,0,0,0,1|0,0,0]=2 397 B8R1.22 N[C@H]1CCCCNC1 51996 [0,1,0,0,0,1|0,0,0]=2 398 B8R1.22 N[C@H]1CCCCNC1 A56046 [0,1,0,0,0,1|0,0,0]=2 399 B8R1.22 O=C1C=CCCCC1 S10329 [0,1,0,0,0,1|1,0,1]=4 400 B8R1.22 O=C1CCCCCN1 D70254 [0,1,0,0,0,1|0,0,0]=2 401 B8R1.22 O=C1CCCCCO1 D70255 [0,1,0,0,0,1|1,0,0]=3 402 B8R1.22 O=C1CCCNCC1 VT1100 [0,1,0,0,0,1|0,0,0]=2 403 B8R1.22 O=C1CCNCCN1 23498 [0,1,0,0,0,1|0,0,1]=3 404 B8R1.22 O=C1CCOCCN1 F13212 [0,1,0,0,0,1|0,0,1]=3 405 B8R1.22 O=C1CCSCCN1 W16383 [0,1,0,0,0,1|0,0,1]=3 406 B8R1.22 O=C1CNCCCN1 71619 [0,1,0,0,0,1|0,0,1]=3 407 B8R1.22 O=C1CNCCCN1 86465 [0,1,0,0,0,1|0,0,1]=3 408 B8R1.22 OC1CCCCCC1 D89285 [0,1,0,0,0,1|1,0,0]=3 409 B8R1.22 O[C@H]1CCCNCC1 36657 [0,1,0,0,0,1|0,0,0]=2 410 B8R1.22 O[C@H]1CCCNCC1 62252 [0,1,0,0,0,1|0,0,0]=2 411 B8R1.2 BrCC1CCCCC1 81459 [0,2,0,0,0,0|1,0,0]=3 412 B8R1.2 BrCC1CCNCC1 54450 [0,2,0,0,0,0|0,0,0]=2 413 B8R1.2 BrCC1CCOCC1 54616 [0,2,0,0,0,0|1,0,0]=3 414 B8R1.2 C#CC1=CCCCC1 F14623 [0,2,0,0,0,0|1,0,1]=4 415 B8R1.2 C#CC1CCCCC1 F16297 [0,2,0,0,0,0|1,0,0]=3 416 B8R1.2 C=CC1CCCCC1 D92778 [0,2,0,0,0,0|1,0,0]=3 417 B8R1.2 CCN1CCNCC1 P17082 [0,2,0,0,0,0|1,0,0]=3 418 B8R1.2 CC[C@H]1CCCCN1 D90478 [0,2,0,0,0,0|0,0,0]=2 419 B8R1.2 CC[C@H]1COCCN1 F13094 [0,2,0,0,0,0|1,0,0]=3 420 B8R1.2 CC[C@H]1COCCN1 F17622 [0,2,0,0,0,0|1,0,0]=3 421 B8R1.2 CC[C@H]1COCCN1 FD6007 [0,2,0,0,0,0|1,0,0]=3 422 B8R1.2 CNC1CCOCC1 32360 [0,2,0,0,0,0|1,0,0]=3 423 B8R1.2 CNC1CCOCC1 AB1551 [0,2,0,0,0,0|1,0,0]=3 424 B8R1.2 CN[C@H]1CCCNC1 33739 [0,2,0,0,0,0|0,0,0]=2 425 B8R1.2 COC1CCNCC1 29503 [0,2,0,0,0,0|0,0,0]=2 426 B8R1.2 COC1CCNCC1 30319 [0,2,0,0,0,0|0,0,0]=2 427 B8R1.2 CO[C@H]1CCCNC1 32736 [0,2,0,0,0,0|0,0,0]=2 428 B8R1.2 CO[C@H]1CCCNC1 32744 [0,2,0,0,0,0|0,0,0]=2 429 B8R1.2 CO[C@H]1CCCNC1 37169 [0,2,0,0,0,0|0,0,0]=2 430 B8R1.2 CO[C@H]1CCCNC1 37171 [0,2,0,0,0,0|0,0,0]=2 431 B8R1.2 CO[C@H]1CCCNC1 AB7412 [0,2,0,0,0,0|0,0,0]=2 432 B8R1.2 ClC[C@H]1CNCCO1 50754 [0,2,0,0,0,0|1,0,0]=3 433 B8R1.2 ICC1CCOCC1 62810 [0,2,0,0,0,0|1,0,0]=3 434 B8R1.2 N#CC1=CCCCC1 D89547 [0,2,0,0,0,0|1,0,1]=4 435 B8R1.2 N#CC1CCCCC1 F14026 [0,2,0,0,0,0|1,0,0]=3 436 B8R1.2 N#CC1CCCCN1 37817 [0,2,0,0,0,0|0,0,0]=2 437 B8R1.2 N#CC1CCNCC1 50765 [0,2,0,0,0,0|0,0,0]=2 438 B8R1.2 N#CC1CCNCC1 83447 [0,2,0,0,0,0|0,0,0]=2 439 B8R1.2 N#CC1CCOCC1 AB2989 [0,2,0,0,0,0|1,0,0]=3 440 B8R1.2 N#C[C@@H]1CNCCN1 27550 [0,2,0,0,0,0|1,0,0]=3 441 B8R1.2 N#C[C@H]1CCCNC1 82699 [0,2,0,0,0,0|0,0,0]=2 442 B8R1.2 N#C[C@H]1CCCNC1 83525 [0,2,0,0,0,0|0,0,0]=2 443 B8R1.2 NCC1CCCCC1 FD10556 [0,2,0,0,0,0|1,0,0]=3 444 B8R1.2 NCC1CCNCC1 20503 [0,2,0,0,0,0|0,0,0]=2 445 B8R1.2 NCC1CCOCC1 51888 [0,2,0,0,0,0|1,0,0]=3 446 B8R1.2 NCC1CCOCC1 AB1593 [0,2,0,0,0,0|1,0,0]=3 447 B8R1.2 NC[C@H]1CCCCN1 F13324 [0,2,0,0,0,0|0,0,0]=2 448 B8R1.2 NC[C@H]1CCCCO1 29695 [0,2,0,0,0,0|1,0,0]=3 449 B8R1.2 NC[C@H]1CCCNC1 51408 [0,2,0,0,0,0|0,0,0]=2 450 B8R1.2 NC[C@H]1CCCNC1 AB01087 [0,2,0,0,0,0|0,0,0]=2 451 B8R1.2 NC[C@H]1CCCOC1 P10450 [0,2,0,0,0,0|1,0,0]=3 452 B8R1.2 NC[C@H]1CNCCO1 30960 [0,2,0,0,0,0|1,0,0]=3 453 B8R1.2 NC[C@H]1COCCO1 P10401 [0,2,0,0,0,0|2,0,0]=4 454 B8R1.2 NNC1CCCCC1 74084 [0,2,0,0,0,0|1,0,0]=3 455 B8R1.2 NNC1CCCCC1 BL010400 [0,2,0,0,0,0|1,0,0]=3 456 B8R1.2 NNC1CCOCC1 20334 [0,2,0,0,0,0|1,0,0]=3 457 B8R1.2 NNC1CCOCC1 BL010345 [0,2,0,0,0,0|1,0,0]=3 458 B8R1.2 NO[C@@H]1CCCCO1 FD1322 [0,2,0,0,0,0|1,0,0]=3 459 B8R1.2 O=CC1CCCCC1 39466 [0,2,0,0,0,0|1,0,0]=3 460 B8R1.2 O=CC1CCOCC1 61400 [0,2,0,0,0,0|1,0,0]=3 461 B8R1.2 O=CC1CCSCC1 29959 [0,2,0,0,0,0|1,0,0]=3 462 B8R1.2 O=CN1CCNCC1 77876 [0,2,0,0,0,0|1,0,0]=3 463 B8R1.2 O=CN1CCOCC1 S12160 [0,2,0,0,0,0|1,0,0]=3 464 B8R1.2 O=NN1CCCCC1 D92816 [0,2,0,0,0,0|0,0,0]=2 465 B8R1.2 OCC1CCCCC1 73723 [0,2,0,0,0,0|1,0,0]=3 466 B8R1.2 OCC1CCNCC1 25838 [0,2,0,0,0,0|0,0,0]=2 467 B8R1.2 OCC1CCOCC1 66550 [0,2,0,0,0,0|1,0,0]=3 468 B8R1.2 OCC1CCSCC1 30719 [0,2,0,0,0,0|1,0,0]=3 469 B8R1.2 OC[C@@H]1CC=CCC1 AC7844 [0,2,0,0,0,0|1,0,1]=4 470 B8R1.2 OC[C@H]1CCCCN1 23778 [0,2,0,0,0,0|0,0,0]=2 471 B8R1.2 OC[C@H]1CCCCN1 25116 [0,2,0,0,0,0|0,0,0]=2 472 B8R1.2 OC[C@H]1CCCCN1 39317 [0,2,0,0,0,0|0,0,0]=2 473 B8R1.2 OC[C@H]1CCCCN1 69389 [0,2,0,0,0,0|0,0,0]=2 474 B8R1.2 OC[C@H]1CCCCO1 P17277 [0,2,0,0,0,0|1,0,0]=3 475 B8R1.2 OC[C@H]1CCCNC1 20066 [0,2,0,0,0,0|0,0,0]=2 476 B8R1.2 OC[C@H]1CCCNC1 25088 [0,2,0,0,0,0|0,0,0]=2 477 B8R1.2 OC[C@H]1CCCNC1 32724 [0,2,0,0,0,0|0,0,0]=2 478 B8R1.2 OC[C@H]1CNCCN1 I11548 [0,2,0,0,0,0|1,0,0]=3 479 B8R1.2 OC[C@H]1CNCCO1 AB7650 [0,2,0,0,0,0|1,0,0]=3 480 B8R1.2 OC[C@H]1CNCCO1 S11136 [0,2,0,0,0,0|1,0,0]=3 481 B8R1.2 OC[C@H]1CNCCO1 SC3861 [0,2,0,0,0,0|1,0,0]=3 482 B8R1.2 OC[C@H]1COCCN1 25766 [0,2,0,0,0,0|1,0,0]=3 483 B8R1.2 OC[C@H]1COCCN1 26437 [0,2,0,0,0,0|1,0,0]=3 484 B8R1.2 OC[C@H]1COCCN1 62952 [0,2,0,0,0,0|1,0,0]=3 485 B8R1.2 OC[C@H]1COCCO1 AC1016 [0,2,0,0,0,0|2,0,0]=4 486 B8R1.2 ON=C1CCOCC1 H10065 [0,2,0,0,0,0|1,0,1]=4 487 B8R1.2 ON=C1CCSCC1 F15694 [0,2,0,0,0,0|1,0,1]=4 488 B8R1.2 ONC1CCCCC1 77599 [0,2,0,0,0,0|1,0,0]=3 489 B8R1.2 ONC1CCCCC1 77600 [0,2,0,0,0,0|1,0,0]=3 490 B8R1.3 CC1CCC(=O)CC1 P20542 [0,2,0,0,0,0|1,0,0]=3 491 B8R1.3 CN1CCC(=O)CC1 67677 [0,2,0,0,0,0|0,0,1]=3 492 B8R1.3 CN1CCC(Br)CC1 P10148 [0,2,0,0,0,0|0,0,0]=2 493 B8R1.3 CN1CCC(Cl)CC1 67721 [0,2,0,0,0,0|0,0,0]=2 494 B8R1.3 CN1CCC(Cl)CC1 A10292 [0,2,0,0,0,0|0,0,0]=2 495 B8R1.3 CN1CCC(N)CC1 67755 [0,2,0,0,0,0|0,0,0]=2 496 B8R1.3 CN1CCC(N)CC1 D82382 [0,2,0,0,0,0|0,0,0]=2 497 B8R1.3 CN1CCC(O)CC1 67617 [0,2,0,0,0,0|0,0,0]=2 498 B8R1.3 CN1CCN(N)CC1 67724 [0,2,0,0,0,0|1,0,0]=3 499 B8R1.3 C[C@H]1CC[C@@H](N)CC1 63819 [0,2,0,0,0,0|1,0,0]=3 500 B8R1.3 C[C@H]1CC[C@H](N)CC1 47228 [0,2,0,0,0,0|1,0,0]=3 501 B8R1.3 C[C@H]1CC[C@H](N)CC1 63820 [0,2,0,0,0,0|1,0,0]=3 502 B8R1.3 C[C@H]1CN[C@H](C)CN1 55797 [0,2,0,0,0,0|1,0,0]=3 503 B8R1.3 NC1CCC(=O)CC1 24439 [0,2,0,0,0,0|1,0,0]=3 504 B8R1.3 NC1CCC(I)CC1 D82897 [0,2,0,0,0,0|1,0,0]=3 505 B8R1.3 NC1CCC(N)CC1 D83402 [0,2,0,0,0,0|1,0,0]=3 506 B8R1.3 NC1CCC(O)CC1 H11365 [0,2,0,0,0,0|1,0,0]=3 507 B8R1.3 NN1CCC(O)CC1 I11452 [0,2,0,0,0,0|0,0,0]=2 508 B8R1.3 N[C@H]1CCC(=O)NC1 P10247 [0,2,0,0,0,0|0,0,1]=3 509 B8R1.3 N[C@H]1CC[C@@H](N)CC1 D89460 [0,2,0,0,0,0|1,0,0]=3 510 B8R1.3 N[C@H]1CC[C@@H](O)CC1 51986 [0,2,0,0,0,0|1,0,0]=3 511 B8R1.3 N[C@H]1CC[C@@H](O)CC1 F14021 [0,2,0,0,0,0|1,0,0]=3 512 B8R1.3 N[C@H]1CC[C@H](N)CC1 I11239 [0,2,0,0,0,0|1,0,0]=3 513 B8R1.3 N[C@H]1CC[C@H](O)CC1 O12153 [0,2,0,0,0,0|1,0,0]=3 514 B8R1.3 N[C@H]1CC[C@H](O)CC1 P16830 [0,2,0,0,0,0|1,0,0]=3 515 B8R1.3 O=C1CCC(=O)CC1 F11265 [0,2,0,0,0,0|1,0,1]=4 516 B8R1.3 O=C1CCC(O)CC1 24546 [0,2,0,0,0,0|1,0,0]=3 517 B8R1.3 O=C1CC[C@H](O)CN1 62216 [0,2,0,0,0,0|0,0,1]=3 518 B8R1.3 O=C1CC[C@H](O)CN1 62217 [0,2,0,0,0,0|0,0,1]=3 519 B8R1.3 OC1CCC(O)CC1 TD8009 [0,2,0,0,0,0|1,0,0]=3 520 B8R1.3 OC1COC(O)CO1 38689 [0,2,0,0,0,0|2,0,0]=4 521 B8R1.3 OC1CSC(O)CS1 D71095 [0,2,0,0,0,0|2,0,0]=4 522 B8R1.3 O[C@H]1CC[C@@H](O)CC1 P10063 [0,2,0,0,0,0|1,0,0]=3 523 B8R1.3 O[C@H]1CC[C@H](O)CC1 74160 [0,2,0,0,0,0|1,0,0]=3 524 B8R1.4 CC1CC(O)CCO1 32162 [0,2,0,0,0,0|1,0,0]=3 525 B8R1.4 CC1CCCC(C)N1 F10355 [0,2,0,0,0,0|0,0,0]=2 526 B8R1.4 CC1CCCC(N)C1 33432 [0,2,0,0,0,0|1,0,0]=3 527 B8R1.4 CC1CNCC(C)C1 D77718 [0,2,0,0,0,0|0,0,0]=2 528 B8R1.4 CC1CNCC(C)N1 H11174 [0,2,0,0,0,0|1,0,0]=3 529 B8R1.4 CC1CNCC(C)N1 P15326 [0,2,0,0,0,0|1,0,0]=3 530 B8R1.4 CC1COCC(C)N1 70362 [0,2,0,0,0,0|1,0,0]=3 531 B8R1.4 CN1CCCC(=O)C1 25967 [0,2,0,0,0,0|0,0,1]=3 532 B8R1.4 CN1CCC[C@H](Br)C1 AC1745 [0,2,0,0,0,0|0,0,0]=2 533 B8R1.4 CN1CCC[C@H](N)C1 37172 [0,2,0,0,0,0|0,0,0]=2 534 B8R1.4 CN1CCC[C@H](N)C1 37173 [0,2,0,0,0,0|0,0,0]=2 535 B8R1.4 CN1CCC[C@H](O)C1 37176 [0,2,0,0,0,0|0,0,0]=2 536 B8R1.4 CN1CCC[C@H](O)C1 37177 [0,2,0,0,0,0|0,0,0]=2 537 B8R1.4 CN1CCC[C@H](O)C1 37178 [0,2,0,0,0,0|0,0,0]=2 538 B8R1.4 CN1CCNC(=O)C1 23552 [0,2,0,0,0,0|1,0,1]=4 539 B8R1.4 CN1CCOC(=O)C1 70849 [0,2,0,0,0,0|1,0,1]=4 540 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [0,2,0,0,0,0|0,0,1]=3 541 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [0,2,0,0,0,0|1,0,0]=3 542 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [0,2,0,0,0,0|0,0,1]=3 543 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [0,2,0,0,0,0|1,0,1]=4 544 B8R1.4 C[C@H]1CNC[C@@H](C)N1 P10485 [0,2,0,0,0,0|1,0,0]=3 545 B8R1.4 C[C@H]1CNC[C@@H](C)O1 70460 [0,2,0,0,0,0|1,0,0]=3 546 B8R1.4 C[C@H]1CNC[C@H](C)O1 77574 [0,2,0,0,0,0|1,0,0]=3 547 B8R1.4 C[C@H]1COCC(=O)N1 88852 [0,2,0,0,0,0|1,0,1]=4 548 B8R1.4 C[C@H]1COCC(=O)N1 88853 [0,2,0,0,0,0|1,0,1]=4 549 B8R1.4 C[C@H]1C[C@@H](O)CCO1 D78943 [0,2,0,0,0,0|1,0,0]=3 550 B8R1.4 NC1CCCC(N)C1 F14870 [0,2,0,0,0,0|1,0,0]=3 551 B8R1.4 NC1CCCC(O)C1 20373 [0,2,0,0,0,0|1,0,0]=3 552 B8R1.4 NC1CCCC(O)C1 51096 [0,2,0,0,0,0|1,0,0]=3 553 B8R1.4 N[C@H]1CCC[C@@H](N)C1 T70691 [0,2,0,0,0,0|1,0,0]=3 554 B8R1.4 N[C@H]1CCNC(=O)C1 28187 [0,2,0,0,0,0|0,0,1]=3 555 B8R1.4 N[C@H]1CCNC(=O)C1 62308 [0,2,0,0,0,0|0,0,1]=3 556 B8R1.4 O=C1CCCC(=O)C1 70018 [0,2,0,0,0,0|1,0,1]=4 557 B8R1.4 O=C1CCCC(=O)N1 F11946 [0,2,0,0,0,0|0,0,2]=4 558 B8R1.4 O=C1CCNC(=O)C1 65248 [0,2,0,0,0,0|0,0,2]=4 559 B8R1.4 O=C1C[C@@H](O)CCN1 68726 [0,2,0,0,0,0|0,0,1]=3 560 B8R1.4 OC1CCCC(O)C1 F17088 [0,2,0,0,0,0|1,0,0]=3 561 B8R1.5 BrC1CCCCC1Br 23806 [0,2,0,0,0,0|1,0,0]=3 562 B8R1.5 Br[C@H]1CCCC[C@@H]1Br D90058 [0,2,0,0,0,0|1,0,0]=3 563 B8R1.5 CC1=NCCCN1C 67669 [0,2,0,0,0,0|1,0,1]=4 564 B8R1.5 CN1CCCNC1=O F13277 [0,2,0,0,0,0|1,0,1]=4 565 B8R1.5 CN1CCNCC1=O 26900 [0,2,0,0,0,0|1,0,1]=4 566 B8R1.5 CN1CCNCC1=O 37505 [0,2,0,0,0,0|1,0,1]=4 567 B8R1.5 C[C@@H]1NCCNC1=O 20377 [0,2,0,0,0,0|1,0,1]=4 568 B8R1.5 C[C@@H]1NCCNC1=O 20378 [0,2,0,0,0,0|1,0,1]=4 569 B8R1.5 C[C@@H]1NCCNC1=O F31149 [0,2,0,0,0,0|1,0,1]=4 570 B8R1.5 C[C@H]1CCCC[C@@H]1N S11914 [0,2,0,0,0,0|1,0,0]=3 571 B8R1.5 C[C@H]1CCCC[C@H]1C D89702 [0,2,0,0,0,0|1,0,0]=3 572 B8R1.5 C[C@H]1CCCNC1=O P10093 [0,2,0,0,0,0|0,0,1]=3 573 B8R1.5 C[C@H]1CNCCC1=O 63757 [0,2,0,0,0,0|0,0,1]=3 574 B8R1.5 C[C@H]1CNCCC1=O 67436 [0,2,0,0,0,0|0,0,1]=3 575 B8R1.5 C[C@H]1CNCCN1C 38274 [0,2,0,0,0,0|1,0,0]=3 576 B8R1.5 C[C@H]1CNCCN1C P11797 [0,2,0,0,0,0|1,0,0]=3 577 B8R1.5 FC1CCCCC1Br T71186 [0,2,0,0,0,0|1,0,0]=3 578 B8R1.5 NC1CCCCC1O AB10042 [0,2,0,0,0,0|1,0,0]=3 579 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67886 [0,2,0,0,0,0|1,0,0]=3 580 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67887 [0,2,0,0,0,0|1,0,0]=3 581 B8R1.5 N[C@@H]1CCCC[C@@H]1O A51241 [0,2,0,0,0,0|1,0,0]=3 582 B8R1.5 N[C@H]1CCCC[C@@H]1N 28367 [0,2,0,0,0,0|1,0,0]=3 583 B8R1.5 N[C@H]1CCCC[C@@H]1N 28369 [0,2,0,0,0,0|1,0,0]=3 584 B8R1.5 N[C@H]1CCCC[C@@H]1N F16348 [0,2,0,0,0,0|1,0,0]=3 585 B8R1.5 N[C@H]1CCCC[C@@H]1O 22869 [0,2,0,0,0,0|1,0,0]=3 586 B8R1.5 N[C@H]1CCCC[C@@H]1O 28325 [0,2,0,0,0,0|1,0,0]=3 587 B8R1.5 N[C@H]1CCCC[C@@H]1O 67740 [0,2,0,0,0,0|1,0,0]=3 588 B8R1.5 N[C@H]1CCCC[C@@H]1O 67741 [0,2,0,0,0,0|1,0,0]=3 589 B8R1.5 N[C@H]1CCCC[C@@H]1O 74387 [0,2,0,0,0,0|1,0,0]=3 590 B8R1.5 N[C@H]1CCCC[C@@H]1O H10809 [0,2,0,0,0,0|1,0,0]=3 591 B8R1.5 N[C@H]1CCCC[C@H]1N 11201 [0,2,0,0,0,0|1,0,0]=3 592 B8R1.5 N[C@H]1CCCNC1=O 23329 [0,2,0,0,0,0|0,0,1]=3 593 B8R1.5 N[C@H]1CCCNC1=O 27952 [0,2,0,0,0,0|0,0,1]=3 594 B8R1.5 N[C@H]1CCCNC1=O 51547 [0,2,0,0,0,0|0,0,1]=3 595 B8R1.5 N[C@H]1COCC[C@@H]1O 38320 [0,2,0,0,0,0|1,0,0]=3 596 B8R1.5 N[C@H]1COCC[C@@H]1O 39243 [0,2,0,0,0,0|1,0,0]=3 597 B8R1.5 N[C@H]1COCC[C@@H]1O P19738 [0,2,0,0,0,0|1,0,0]=3 598 B8R1.5 N[C@H]1COCC[C@@H]1O W11754 [0,2,0,0,0,0|1,0,0]=3 599 B8R1.5 O=C1CCCCC1=O 57324 [0,2,0,0,0,0|1,0,1]=4 600 B8R1.5 O=C1CCCC[C@@H]1Br 67635 [0,2,0,0,0,0|1,0,0]=3 601 B8R1.5 O=C1CCCC[C@@H]1Cl AC1582 [0,2,0,0,0,0|1,0,0]=3 602 B8R1.5 O=C1CCCC[C@@H]1F W17462 [0,2,0,0,0,0|1,0,0]=3 603 B8R1.5 O=C1CCNC[C@@H]1F 30735 [0,2,0,0,0,0|0,0,1]=3 604 B8R1.5 O=C1CCOC[C@@H]1F SC3231 [0,2,0,0,0,0|1,0,1]=4 605 B8R1.5 OC1CCCCC1Cl D71128 [0,2,0,0,0,0|1,0,0]=3 606 B8R1.5 OC1CCCCC1O FD9018 [0,2,0,0,0,0|1,0,0]=3 607 B8R1.5 OC1OCCOC1O 77851 [0,2,0,0,0,0|2,0,0]=4 608 B8R1.5 O[C@H]1CCCC[C@@H]1F T72787 [0,2,0,0,0,0|1,0,0]=3 609 B8R1.5 O[C@H]1CCCC[C@@H]1O O12154 [0,2,0,0,0,0|1,0,0]=3 610 B8R1.5 O[C@H]1CNCC[C@@H]1F 37697 [0,2,0,0,0,0|0,0,0]=2 611 B8R1.72 CC1(C)CCCNC1 52404 [0,2,0,0,0,0|0,0,0]=2 612 B8R1.72 CC1(C)CCNCC1 61353 [0,2,0,0,0,0|0,0,0]=2 613 B8R1.72 CC1(C)CCNCC1 AC8379 [0,2,0,0,0,0|0,0,0]=2 614 B8R1.72 CC1(C)CNCCN1 26348 [0,2,0,0,0,0|1,0,0]=3 615 B8R1.72 CC1(C)CNCCO1 P11839 [0,2,0,0,0,0|1,0,0]=3 616 B8R1.72 CC1(C)COCCN1 25040 [0,2,0,0,0,0|1,0,0]=3 617 B8R1.72 CC1(N)CCCCC1 71329 [0,2,0,0,0,0|1,0,0]=3 618 B8R1.72 CC1(N)CCOCC1 SC1105 [0,2,0,0,0,0|1,0,0]=3 619 B8R1.72 CC1(O)CCCCC1 FD14069 [0,2,0,0,0,0|1,0,0]=3 620 B8R1.72 CC1(O)CCNCC1 37038 [0,2,0,0,0,0|0,0,0]=2 621 B8R1.72 CC1(O)CCNCC1 88644 [0,2,0,0,0,0|0,0,0]=2 622 B8R1.72 C[N+]1(C)CCCCC1 A51057 [0,2,0,0,0,0|0,0,1]=3 623 B8R1.72 C[N+]1([O-])CCOCC1 31347 [0,2,0,0,0,0|1,0,1]=4 624 B8R1.72 C[N+]1([O-])CCOCC1 D71257 [0,2,0,0,0,0|1,0,1]=4 625 B8R1.72 Cl[Si]1(Cl)CCCCC1 C11274 [0,2,0,0,0,0|1,0,0]=3 626 B8R1.72 FC1(F)CCCNC1 50285 [0,2,0,0,0,0|0,0,0]=2 627 B8R1.72 FC1(F)CCNCC1 24529 [0,2,0,0,0,0|0,0,0]=2 628 B8R1.72 O=S1(=O)CCCCN1 71476 [0,2,0,0,0,0|1,0,0]=3 629 B8R1.72 O=S1(=O)CCCCO1 36714 [0,2,0,0,0,0|2,0,0]=4 630 B8R1.72 O=S1(=O)CCNCC1 66586 [0,2,0,0,0,0|1,0,0]=3 631 B8R1.72 O=S1(=O)CCNCC1 P10326 [0,2,0,0,0,0|1,0,0]=3 632 B8R1.72 O=S1(=O)CCOCC1 D70978 [0,2,0,0,0,0|2,0,0]=4 633 B8R1.72 OC1(O)CCNCC1 67884 [0,2,0,0,0,0|0,0,0]=2 634 B6R1.3 BrCC[C@H]1CO1 30763 [0,0,1,1,0,0|2,0,0]=4 635 B6R1.3 CCNC1CC1 AC2514 [0,0,1,1,0,0|0,0,0]=2 636 B6R1.3 CCNC1CC1 F20037 [0,0,1,1,0,0|0,0,0]=2 637 B6R1.3 CNCC1CC1 71893 [0,0,1,1,0,0|0,0,0]=2 638 B6R1.3 COC[C@H]1CO1 D90741 [0,0,1,1,0,0|2,0,0]=4 639 B6R1.3 COC[C@H]1CO1 D90742 [0,0,1,1,0,0|2,0,0]=4 640 B6R1.3 COC[C@H]1CO1 F11173 [0,0,1,1,0,0|2,0,0]=4 641 B6R1.3 N#CCC1CC1 35740 [0,0,1,1,0,0|0,0,2]=4 642 B6R1.3 NCCC1CC1 38310 [0,0,1,1,0,0|0,0,0]=2 643 B6R1.3 NCCC1CC1 AB6939 [0,0,1,1,0,0|0,0,0]=2 644 B6R1.3 NNCC1CC1 BL010401 [0,0,1,1,0,0|1,0,0]=3 645 B6R1.3 O=CNC1CC1 W10329 [0,0,1,1,0,0|1,0,1]=4 646 B6R1.3 OCCC1CC1 35626 [0,0,1,1,0,0|1,0,0]=3 647 B6R1.3 OCCN1CC1 52820 [0,0,1,1,0,0|1,0,0]=3 648 B6R1.6 BrCC1CCC1 55311 [0,0,1,1,0,0|1,0,0]=3 649 B6R1.6 BrCC1COC1 P12750 [0,0,1,1,0,0|2,0,0]=4 650 B6R1.6 CNC1CNC1 37853 [0,0,1,1,0,0|1,0,0]=3 651 B6R1.6 CNC1COC1 32882 [0,0,1,1,0,0|1,0,0]=3 652 B6R1.6 COC1CNC1 34638 [0,0,1,1,0,0|1,0,0]=3 653 B6R1.6 COC1CNC1 63504 [0,0,1,1,0,0|1,0,0]=3 654 B6R1.6 ClCC1COC1 29833 [0,0,1,1,0,0|2,0,0]=4 655 B6R1.6 ICC1CCC1 P15852 [0,0,1,1,0,0|1,0,0]=3 656 B6R1.6 ICC1COC1 80847 [0,0,1,1,0,0|2,0,0]=4 657 B6R1.6 IC[C@H]1CCO1 30641 [0,0,1,1,0,0|2,0,0]=4 658 B6R1.6 N#CC1CCC1 82484 [0,0,1,1,0,0|0,0,2]=4 659 B6R1.6 N#CC1CNC1 52028 [0,0,1,1,0,0|1,0,1]=4 660 B6R1.6 NCC1CCC1 33345 [0,0,1,1,0,0|0,0,0]=2 661 B6R1.6 NCC1CCC1 35685 [0,0,1,1,0,0|0,0,0]=2 662 B6R1.6 NCC1COC1 66389 [0,0,1,1,0,0|1,0,0]=3 663 B6R1.6 NCC1COC1 F14274 [0,0,1,1,0,0|1,0,0]=3 664 B6R1.6 NC[C@H]1CCO1 32892 [0,0,1,1,0,0|1,0,0]=3 665 B6R1.6 O=CC1CCC1 83143 [0,0,1,1,0,0|1,0,1]=4 666 B6R1.6 OCC1CCC1 24520 [0,0,1,1,0,0|1,0,0]=3 667 B6R1.6 OCC1CNC1 SC3671 [0,0,1,1,0,0|1,0,0]=3 668 B6R1.6 OCC1COC1 81312 [0,0,1,1,0,0|2,0,0]=4 669 B8R2.25 C1CC2OC2CO1 P11116 [0,0,0,1,0,1|1,0,0]=3 670 B8R2.18 NC1CC2CC2C1 38235 [0,1,0,1,0,0|1,0,0]=3 671 B8R2.18 OC1CC2CC2C1 80097 [0,1,0,1,0,0|1,0,0]=3 672 B8R2.18 OC1C[C@@H]2C[C@@H]2C1 68368 [0,1,0,1,0,0|1,0,0]=3 673 B8R2.34 C1=CC2CC1CN2 P15455 [0,1,0,1,0,0|0,0,2]=4 674 B8R2.34 C1CC2CCC1N2 25913 [0,1,0,1,0,0|1,0,0]=3 675 B8R2.34 C1NC2CNC1C2 F18855 [0,1,0,1,0,0|1,0,0]=3 676 B8R2.34 C1N[C@@H]2CN[C@H]1C2 D90097 [0,1,0,1,0,0|1,0,0]=3 677 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F18872 [0,1,0,1,0,0|1,0,0]=3 678 B8R2.34 C1O[C@@H]2CN[C@H]1C2 81400 [0,1,0,1,0,0|1,0,0]=3 679 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P10179 [0,1,0,1,0,0|1,0,0]=3 680 B8R2.38 OC1CCC2CC12 P20622 [0,1,0,1,0,0|1,0,0]=3 681 B4R1.1 C1CNC1 29084 [0,0,0,0,2,0|0,0,0]=2 682 B8R1.49 C1=CCCC=CCC1 A12423 [0,0,0,0,0,2|1,0,1]=4 683 B8R1.49 C1=CCCC=CCC1 C71725 [0,0,0,0,0,2|1,0,1]=4 684 B8R1.49 C1=CCCC=CCC1 D81874 [0,0,0,0,0,2|1,0,1]=4 685 B8R1.49 C1=CCCC=CCC1 D83030 [0,0,0,0,0,2|1,0,1]=4 686 B8R1.49 C1=CCCC=CCC1 D83200 [0,0,0,0,0,2|1,0,1]=4 687 B8R1.49 C1=CCCC=CCC1 D88542 [0,0,0,0,0,2|1,0,1]=4 688 B8R1.49 C1=CCCC=CCC1 F16649 [0,0,0,0,0,2|1,0,1]=4 689 B8R1.49 C1=CCCC=CCC1 P17150 [0,0,0,0,0,2|1,0,1]=4 690 B8R1.49 C1=CCCCCC=C1 D89259 [0,0,0,0,0,2|1,0,1]=4 691 B8R1.49 C1=CCCCCCC1 D89499 [0,0,0,0,0,2|1,0,0]=3