0 B5R1.1 C1=CCC=C1 F16264 [0,0,0,0,0,0|1,0,3]=4 1 B5R1.1 C1=CCC=C1 S10330 [0,0,0,0,0,0|1,0,3]=4 2 B5R1.1 C1=CCC=C1 S10411 [0,0,0,0,0,0|1,0,3]=4 3 B5R1.1 C1=CCNC1 23121 [0,0,0,0,0,0|0,0,2]=2 4 B5R1.1 C1=CCNC1 39302 [0,0,0,0,0,0|0,0,2]=2 5 B5R1.1 C1=CCOC1 F11214 [0,0,0,0,0,0|1,0,2]=3 6 B5R1.1 C1=CNC=N1 AC9122 [0,0,0,0,0,0|1,0,3]=4 7 B5R1.1 C1=CNC=N1 P17516 [0,0,0,0,0,0|1,0,3]=4 8 B5R1.1 C1=CNN=C1 D78528 [0,0,0,0,0,0|1,0,3]=4 9 B5R1.1 C1=CNN=N1 24428 [0,0,0,0,0,0|2,0,2]=4 10 B5R1.1 C1=NC=NN1 70017 [0,0,0,0,0,0|2,0,2]=4 11 B5R1.1 C1=NNN=C1 D70752 [0,0,0,0,0,0|2,0,2]=4 12 B5R1.1 C1CCNC1 A12343 [0,0,0,0,0,0|0,0,0]=0 13 B5R1.1 C1CCNC1 D95438 [0,0,0,0,0,0|0,0,0]=0 14 B5R1.1 C1CCOC1 D97750 [0,0,0,0,0,0|1,0,0]=1 15 B5R1.1 C1CNOC1 72098 [0,0,0,0,0,0|1,0,0]=1 16 B5R1.1 C1COCO1 D89731 [0,0,0,0,0,0|2,0,0]=2 17 B5R1.1 C1CSCN1 H10192 [0,0,0,0,0,0|1,0,0]=1 18 B5R1.1 C1CSCN1 H11361 [0,0,0,0,0,0|1,0,0]=1 19 B6R1.2 Br[C@H]1CCNC1 23535 [0,1,0,0,0,0|0,0,0]=1 20 B6R1.2 Br[C@H]1CCOC1 25079 [0,1,0,0,0,0|1,0,0]=2 21 B6R1.2 CC1=NCCC1 35340 [0,1,0,0,0,0|0,0,2]=3 22 B6R1.2 CC1=NCCN1 S11926 [0,1,0,0,0,0|1,0,1]=3 23 B6R1.2 CC1=NCCO1 F16112 [0,1,0,0,0,0|1,0,2]=4 24 B6R1.2 CC1=NCCS1 D91305 [0,1,0,0,0,0|1,0,2]=4 25 B6R1.2 CN1CCCC1 D78045 [0,1,0,0,0,0|0,0,0]=1 26 B6R1.2 C[C@H]1CCCN1 11755 [0,1,0,0,0,0|0,0,0]=1 27 B6R1.2 C[C@H]1CCCN1 23331 [0,1,0,0,0,0|0,0,0]=1 28 B6R1.2 C[C@H]1CCCN1 64834 [0,1,0,0,0,0|0,0,0]=1 29 B6R1.2 C[C@H]1CCCN1 64835 [0,1,0,0,0,0|0,0,0]=1 30 B6R1.2 C[C@H]1CCCN1 64836 [0,1,0,0,0,0|0,0,0]=1 31 B6R1.2 C[C@H]1CCCS1 TD8134 [0,1,0,0,0,0|1,0,0]=2 32 B6R1.2 C[C@H]1CCNC1 69325 [0,1,0,0,0,0|0,0,0]=1 33 B6R1.2 C[C@H]1CCNC1 69329 [0,1,0,0,0,0|0,0,0]=1 34 B6R1.2 C[C@H]1CCOC1 F16704 [0,1,0,0,0,0|1,0,0]=2 35 B6R1.2 C[S+]1CCCC1 AC8164 [0,1,0,0,0,0|1,0,0]=2 36 B6R1.2 ClP1OCCO1 D89371 [0,1,0,0,0,0|2,1,0]=4 37 B6R1.2 F[C@H]1CCNC1 26948 [0,1,0,0,0,0|0,0,0]=1 38 B6R1.2 F[C@H]1CCNC1 37160 [0,1,0,0,0,0|0,0,0]=1 39 B6R1.2 F[C@H]1CCNC1 83419 [0,1,0,0,0,0|0,0,0]=1 40 B6R1.2 IC1CCCC1 P10039 [0,1,0,0,0,0|1,0,0]=2 41 B6R1.2 I[C@H]1CCOC1 82009 [0,1,0,0,0,0|1,0,0]=2 42 B6R1.2 N=C1CCCS1 H10471 [0,1,0,0,0,0|1,0,1]=3 43 B6R1.2 NC1=NCCC1 23751 [0,1,0,0,0,0|0,0,2]=3 44 B6R1.2 NC1=NCCS1 H11788 [0,1,0,0,0,0|1,0,2]=4 45 B6R1.2 NC1CC=CC1 66023 [0,1,0,0,0,0|1,0,1]=3 46 B6R1.2 NC1CCCC1 22312 [0,1,0,0,0,0|1,0,0]=2 47 B6R1.2 N[C@H]1CCNC1 41400 [0,1,0,0,0,0|0,0,0]=1 48 B6R1.2 N[C@H]1CCNC1 52206 [0,1,0,0,0,0|0,0,0]=1 49 B6R1.2 N[C@H]1CCNC1 70366 [0,1,0,0,0,0|0,0,0]=1 50 B6R1.2 N[C@H]1CCNC1 N12040 [0,1,0,0,0,0|0,0,0]=1 51 B6R1.2 N[C@H]1CCNC1 S10941 [0,1,0,0,0,0|0,0,0]=1 52 B6R1.2 N[C@H]1CCNC1 T70189 [0,1,0,0,0,0|0,0,0]=1 53 B6R1.2 N[C@H]1CCOC1 24756 [0,1,0,0,0,0|1,0,0]=2 54 B6R1.2 N[C@H]1CCOC1 29281 [0,1,0,0,0,0|1,0,0]=2 55 B6R1.2 N[C@H]1CCOC1 37020 [0,1,0,0,0,0|1,0,0]=2 56 B6R1.2 N[C@H]1CCOC1 37021 [0,1,0,0,0,0|1,0,0]=2 57 B6R1.2 N[C@H]1CCOC1 53315 [0,1,0,0,0,0|1,0,0]=2 58 B6R1.2 N[C@H]1CCOC1 SC1299 [0,1,0,0,0,0|1,0,0]=2 59 B6R1.2 O=C1C=CCC1 23169 [0,1,0,0,0,0|1,0,2]=4 60 B6R1.2 O=C1CC=CC1 68366 [0,1,0,0,0,0|1,0,2]=4 61 B6R1.2 O=C1CC=NN1 26372 [0,1,0,0,0,0|1,0,2]=4 62 B6R1.2 O=C1CCCN1 D95709 [0,1,0,0,0,0|0,0,1]=2 63 B6R1.2 O=C1CCCN1 D96808 [0,1,0,0,0,0|0,0,1]=2 64 B6R1.2 O=C1CCNC1 65410 [0,1,0,0,0,0|0,0,1]=2 65 B6R1.2 O=C1CCNN1 F15485 [0,1,0,0,0,0|1,0,1]=3 66 B6R1.2 O=C1CCOC1 28102 [0,1,0,0,0,0|1,0,1]=3 67 B6R1.2 O=C1CCSC1 37995 [0,1,0,0,0,0|1,0,1]=3 68 B6R1.2 O=C1NCCN1 D71145 [0,1,0,0,0,0|1,0,1]=3 69 B6R1.2 O=C1NCCO1 C93484 [0,1,0,0,0,0|1,0,1]=3 70 B6R1.2 O=C1NCCS1 35133 [0,1,0,0,0,0|1,0,1]=3 71 B6R1.2 O=C1OCCO1 D72525 [0,1,0,0,0,0|2,0,1]=4 72 B6R1.2 O=S1CCCC1 D92307 [0,1,0,0,0,0|1,0,0]=2 73 B6R1.2 O=S1OCCO1 AC7916 [0,1,0,0,0,0|3,0,0]=4 74 B6R1.2 OC1=NNCC1 I10060 [0,1,0,0,0,0|1,0,1]=3 75 B6R1.2 OC1CC=CC1 68362 [0,1,0,0,0,0|1,0,1]=3 76 B6R1.2 O[C@@H]1CCCO1 31275 [0,1,0,0,0,0|1,0,0]=2 77 B6R1.2 O[C@H]1CCNC1 29173 [0,1,0,0,0,0|0,0,0]=1 78 B6R1.2 O[C@H]1CCNC1 29174 [0,1,0,0,0,0|0,0,0]=1 79 B6R1.2 O[C@H]1CCNC1 29175 [0,1,0,0,0,0|0,0,0]=1 80 B6R1.2 O[C@H]1CCNC1 38203 [0,1,0,0,0,0|0,0,0]=1 81 B6R1.2 O[C@H]1CCNC1 62968 [0,1,0,0,0,0|0,0,0]=1 82 B6R1.2 O[C@H]1CCNC1 62970 [0,1,0,0,0,0|0,0,0]=1 83 B6R1.2 O[C@H]1CCOC1 37369 [0,1,0,0,0,0|1,0,0]=2 84 B6R1.2 O[C@H]1CCOC1 66692 [0,1,0,0,0,0|1,0,0]=2 85 B6R1.2 O[C@H]1CCOC1 66694 [0,1,0,0,0,0|1,0,0]=2 86 B6R1.2 O[C@H]1CCSC1 W10543 [0,1,0,0,0,0|1,0,0]=2 87 B6R1.2 O[C@H]1CNOC1 31853 [0,1,0,0,0,0|1,0,0]=2 88 B6R1.2 S=C1CCCN1 D95546 [0,1,0,0,0,0|0,0,1]=2 89 B6R1.2 S=C1NCCN1 A10690 [0,1,0,0,0,0|1,0,1]=3 90 B6R1.2 S=C1NCCO1 79469 [0,1,0,0,0,0|1,0,1]=3 91 B6R1.2 S=C1SCCS1 D90483 [0,1,0,0,0,0|2,0,1]=4 92 B6R1.2 SC1CCCC1 D89300 [0,1,0,0,0,0|1,0,0]=2 93 B4R0.2 C#CCCBr F11435 [0,0,1,0,0,0|1,0,2]=4 94 B4R0.2 C#CCCO 24606 [0,0,1,0,0,0|1,0,2]=4 95 B4R0.2 C#CCNC 76738 [0,0,1,0,0,0|0,0,2]=3 96 B4R0.2 C#CCOC AT19953 [0,0,1,0,0,0|1,0,2]=4 97 B4R0.2 C#CCON D77272 [0,0,1,0,0,0|1,0,2]=4 98 B4R0.2 C=CCCBr D78125 [0,0,1,0,0,0|1,0,2]=4 99 B4R0.2 C=CCCC FD10489 [0,0,1,0,0,0|1,0,1]=3 100 B4R0.2 C=CCCCl 43989 [0,0,1,0,0,0|1,0,2]=4 101 B4R0.2 C=CCCN 68196 [0,0,1,0,0,0|0,0,2]=3 102 B4R0.2 C=CCCO P16638 [0,0,1,0,0,0|1,0,2]=4 103 B4R0.2 C=CCNC F21270 [0,0,1,0,0,0|0,0,2]=3 104 B4R0.2 C=CCNN 72911 [0,0,1,0,0,0|1,0,2]=4 105 B4R0.2 C=CCOC D88491 [0,0,1,0,0,0|1,0,2]=4 106 B4R0.2 C=CCON 77603 [0,0,1,0,0,0|1,0,2]=4 107 B4R0.2 C=CCSC D88380 [0,0,1,0,0,0|1,0,2]=4 108 B4R0.2 C=COCC P19610 [0,0,1,0,0,0|1,0,2]=4 109 B4R0.2 CC#CCBr 75180 [0,0,1,0,0,0|1,0,2]=4 110 B4R0.2 CC#CCO 75486 [0,0,1,0,0,0|1,0,2]=4 111 B4R0.2 CCCNC A10770 [0,0,1,0,0,0|0,0,0]=1 112 B4R0.2 CCCNN C10870 [0,0,1,0,0,0|1,0,0]=2 113 B4R0.2 CCN=C=S D94745 [0,0,1,0,0,0|1,0,2]=4 114 B4R0.2 CCNC=O F19558 [0,0,1,0,0,0|1,0,1]=3 115 B4R0.2 CCNCC D78025 [0,0,1,0,0,0|0,0,0]=1 116 B4R0.2 CCNCC D89842 [0,0,1,0,0,0|0,0,0]=1 117 B4R0.2 CCNCC D90318 [0,0,1,0,0,0|0,0,0]=1 118 B4R0.2 CCNOC D80678 [0,0,1,0,0,0|1,0,0]=2 119 B4R0.2 CCOCCl D89215 [0,0,1,0,0,0|2,0,0]=3 120 B4R0.2 CNCC#N 36732 [0,0,1,0,0,0|1,0,1]=3 121 B4R0.2 CNCCBr F13405 [0,0,1,0,0,0|1,0,0]=2 122 B4R0.2 CNCCCl 71064 [0,0,1,0,0,0|1,0,0]=2 123 B4R0.2 CNCCN D76853 [0,0,1,0,0,0|1,0,0]=2 124 B4R0.2 CNCCN SC1801 [0,0,1,0,0,0|1,0,0]=2 125 B4R0.2 COCC#N 35354 [0,0,1,0,0,0|1,0,2]=4 126 B4R0.2 COCCBr P19803 [0,0,1,0,0,0|2,0,0]=3 127 B4R0.2 COCCN F14847 [0,0,1,0,0,0|1,0,0]=2 128 B4R0.2 CSCC#N D91408 [0,0,1,0,0,0|1,0,2]=4 129 B4R0.2 CSCCBr 79497 [0,0,1,0,0,0|2,0,0]=3 130 B4R0.2 CSCCO 28828 [0,0,1,0,0,0|2,0,0]=3 131 B4R0.2 CSCSC D88765 [0,0,1,0,0,0|2,0,0]=3 132 B4R0.2 CSSSC D90187 [0,0,1,0,0,0|3,0,0]=4 133 B4R0.2 C\C=C/CC D91891 [0,0,1,0,0,0|1,0,1]=3 134 B4R0.2 C\C=C\OC 28751 [0,0,1,0,0,0|1,0,2]=4 135 B4R0.2 ClCCCI AC1314 [0,0,1,0,0,0|2,0,0]=3 136 B4R0.2 FCCCI S11237 [0,0,1,0,0,0|2,0,0]=3 137 B4R0.2 ICCCI A10836 [0,0,1,0,0,0|2,0,0]=3 138 B4R0.2 N#CCCBr 13138 [0,0,1,0,0,0|1,0,2]=4 139 B4R0.2 N#CCCN D77355 [0,0,1,0,0,0|1,0,1]=3 140 B4R0.2 N#CCCO D77638 [0,0,1,0,0,0|1,0,2]=4 141 B4R0.2 N#CCCS A10937 [0,0,1,0,0,0|1,0,2]=4 142 B4R0.2 NCCCBr AC7868 [0,0,1,0,0,0|1,0,0]=2 143 B4R0.2 NCCCCl D70608 [0,0,1,0,0,0|1,0,0]=2 144 B4R0.2 NCCCO D77871 [0,0,1,0,0,0|1,0,0]=2 145 B4R0.2 NCCON SC1781 [0,0,1,0,0,0|2,0,0]=3 146 B4R0.2 NNCCO D77684 [0,0,1,0,0,0|2,0,0]=3 147 B4R0.2 NOCCO 32348 [0,0,1,0,0,0|2,0,0]=3 148 B4R0.2 OCCCBr 36754 [0,0,1,0,0,0|2,0,0]=3 149 B4R0.2 OCCCF 61100 [0,0,1,0,0,0|2,0,0]=3 150 B4R0.2 OCCCI 75858 [0,0,1,0,0,0|2,0,0]=3 151 B4R0.2 SCCCS F20376 [0,0,1,0,0,0|2,0,0]=3 152 B4R1.1 C1CNC1 29084 [0,0,0,0,1,0|0,0,0]=1 153 B6R1.1 C1=CCCC=C1 F17012 [0,0,0,0,0,1|1,0,2]=4 154 B6R1.1 C1=CCNCC1 37471 [0,0,0,0,0,1|0,0,1]=2 155 B6R1.1 C1=CCNCC1 AB7774 [0,0,0,0,0,1|0,0,1]=2 156 B6R1.1 C1=CCOCC1 37905 [0,0,0,0,0,1|1,0,1]=3 157 B6R1.1 C1=COCCC1 D78128 [0,0,0,0,0,1|1,0,1]=3 158 B6R1.1 C1CCNCC1 D77674 [0,0,0,0,0,1|0,0,0]=1 159 B6R1.1 C1CCNNC1 AB2862 [0,0,0,0,0,1|0,0,0]=1 160 B6R1.1 C1CCONC1 72394 [0,0,0,0,0,1|0,0,0]=1 161 B6R1.1 C1CCSCC1 D78391 [0,0,0,0,0,1|1,0,0]=2 162 B6R1.1 C1CNCCN1 D97840 [0,0,0,0,0,1|0,0,0]=1 163 B6R1.1 C1COCCN1 D70343 [0,0,0,0,0,1|0,0,0]=1 164 B6R1.1 C1COCCN1 D95446 [0,0,0,0,0,1|0,0,0]=1 165 B6R1.1 C1COCCN1 F14226 [0,0,0,0,0,1|0,0,0]=1 166 B6R1.1 C1CSCCN1 P10015 [0,0,0,0,0,1|0,0,0]=1 167 B6R1.1 C1CSCCO1 D87969 [0,0,0,0,0,1|1,0,0]=2 168 B6R1.1 C1CSCSC1 S10678 [0,0,0,0,0,1|1,0,0]=2 169 B6R1.1 C1SCSCS1 D92358 [0,0,0,0,0,1|2,0,0]=3 170 B3R0.1 C#CCN 65315 [1,0,1,0,0,0|0,0,2]=4 171 B3R0.1 C#CCN RB8001 [1,0,1,0,0,0|0,0,2]=4 172 B3R0.1 C=CCC F17161 [1,0,1,0,0,0|0,0,2]=4 173 B3R0.1 CCCN D74104 [1,0,1,0,0,0|0,0,0]=2 174 B3R0.1 CCCN D80322 [1,0,1,0,0,0|0,0,0]=2 175 B3R0.1 CCNC 28743 [1,0,1,0,0,0|0,0,0]=2 176 B3R0.1 CCNC D78313 [1,0,1,0,0,0|0,0,0]=2 177 B3R0.1 CCNN D93746 [1,0,1,0,0,0|1,0,0]=3 178 B3R0.1 CCNO 77594 [1,0,1,0,0,0|1,0,0]=3 179 B3R0.1 CCON 35725 [1,0,1,0,0,0|1,0,0]=3 180 B3R0.1 CCSC D90442 [1,0,1,0,0,0|1,0,0]=3 181 B3R0.1 CNNC F14608 [1,0,1,0,0,0|1,0,0]=3 182 B3R0.1 CNOC 60204 [1,0,1,0,0,0|1,0,0]=3 183 B3R0.1 COCBr D78328 [1,0,1,0,0,0|2,0,0]=4 184 B3R0.1 CSCCl F20413 [1,0,1,0,0,0|2,0,0]=4 185 B3R0.1 ClCCBr D95298 [1,0,1,0,0,0|2,0,0]=4 186 B3R0.1 FCCI 29129 [1,0,1,0,0,0|2,0,0]=4 187 B3R0.1 ICCI D70963 [1,0,1,0,0,0|2,0,0]=4 188 B3R0.1 N#CCN 28451 [1,0,1,0,0,0|1,0,1]=4 189 B3R0.1 NCCBr 12331 [1,0,1,0,0,0|1,0,0]=3 190 B3R0.1 NCCCl D70641 [1,0,1,0,0,0|1,0,0]=3 191 B3R0.1 NCCF 22877 [1,0,1,0,0,0|1,0,0]=3 192 B3R0.1 NCCN T72638 [1,0,1,0,0,0|1,0,0]=3 193 B3R0.1 NCCO F17546 [1,0,1,0,0,0|1,0,0]=3 194 B3R0.1 NCCO P20022 [1,0,1,0,0,0|1,0,0]=3 195 B3R0.1 NCCS D70222 [1,0,1,0,0,0|1,0,0]=3 196 B3R0.1 NCCS D88299 [1,0,1,0,0,0|1,0,0]=3 197 B3R0.1 SCCS D78347 [1,0,1,0,0,0|2,0,0]=4 198 B5R0.1 C=C(C)CCBr 80247 [0,1,1,0,0,0|1,0,1]=4 199 B5R0.1 C=C(C)OCC 78535 [0,1,1,0,0,0|1,0,1]=4 200 B5R0.1 C=CCN(C)C D89797 [0,1,1,0,0,0|0,0,2]=4 201 B5R0.1 C=CC[C@H](C)O D92157 [0,1,1,0,0,0|1,0,1]=4 202 B5R0.1 CC(=O)CCCl F20480 [0,1,1,0,0,0|1,0,1]=4 203 B5R0.1 CC(=O)CCO 55787 [0,1,1,0,0,0|1,0,1]=4 204 B5R0.1 CC(=O)NCO FD10622 [0,1,1,0,0,0|1,0,1]=4 205 B5R0.1 CC(C)CC#N 30285 [0,1,1,0,0,0|0,0,2]=4 206 B5R0.1 CC(C)CNN 86152 [0,1,1,0,0,0|1,0,0]=3 207 B5R0.1 CC(C)CON H10571 [0,1,1,0,0,0|1,0,0]=3 208 B5R0.1 CC=C[C@H](C)O D84201 [0,1,1,0,0,0|1,0,1]=4 209 B5R0.1 CCCB(O)O 33060 [0,1,1,0,0,0|2,0,0]=4 210 B5R0.1 CCCC(=N)N W10324 [0,1,1,0,0,0|0,0,1]=3 211 B5R0.1 CCCC(=O)[O-] D84277 [0,1,1,0,0,0|1,0,1]=4 212 B5R0.1 CCCC(N)=O D70204 [0,1,1,0,0,0|0,0,1]=3 213 B5R0.1 CCC[C@H](C)N 28967 [0,1,1,0,0,0|0,0,0]=2 214 B5R0.1 CCC[C@H](C)O RB3003 [0,1,1,0,0,0|1,0,0]=3 215 B5R0.1 CCC[C@H](C)O T72186 [0,1,1,0,0,0|1,0,0]=3 216 B5R0.1 CCC[N+](=O)[O-] D97683 [0,1,1,0,0,0|1,0,1]=4 217 B5R0.1 CCNC(C)=O AC2513 [0,1,1,0,0,0|0,0,1]=3 218 B5R0.1 CCNC(C)C D77967 [0,1,1,0,0,0|0,0,0]=2 219 B5R0.1 CCNC(N)=O D95291 [0,1,1,0,0,0|1,0,1]=4 220 B5R0.1 CCOC(C)=N D70134 [0,1,1,0,0,0|1,0,1]=4 221 B5R0.1 CCOC(N)=O F21294 [0,1,1,0,0,0|1,0,1]=4 222 B5R0.1 CCO[SiH](C)C I11477 [0,1,1,0,0,0|1,1,0]=4 223 B5R0.1 CCSC(=N)N D86401 [0,1,1,0,0,0|1,0,1]=4 224 B5R0.1 CCSC(C)=O H11301 [0,1,1,0,0,0|1,0,1]=4 225 B5R0.1 CC[O+]=C(N)N 35842 [0,1,1,0,0,0|1,0,1]=4 226 B5R0.1 CN(C)CC=O O10521 [0,1,1,0,0,0|1,0,1]=4 227 B5R0.1 CN(C)CCBr O10701 [0,1,1,0,0,0|1,0,0]=3 228 B5R0.1 CN(C)CCCl D77997 [0,1,1,0,0,0|1,0,0]=3 229 B5R0.1 CN(C)CCN S12293 [0,1,1,0,0,0|1,0,0]=3 230 B5R0.1 CN(C)CCS 35911 [0,1,1,0,0,0|1,0,0]=3 231 B5R0.1 CNCC(=O)O 73735 [0,1,1,0,0,0|1,0,1]=4 232 B5R0.1 CNCC(=O)O AC7804 [0,1,1,0,0,0|1,0,1]=4 233 B5R0.1 CNCC(N)=O A11560 [0,1,1,0,0,0|1,0,1]=4 234 B5R0.1 COCC(=N)N 20309 [0,1,1,0,0,0|1,0,1]=4 235 B5R0.1 COCC(C)=O D91400 [0,1,1,0,0,0|1,0,1]=4 236 B5R0.1 COCC(N)=O F20983 [0,1,1,0,0,0|1,0,1]=4 237 B5R0.1 COC[C@H](C)O 35103 [0,1,1,0,0,0|1,0,0]=3 238 B5R0.1 COC[C@H](C)O O10158 [0,1,1,0,0,0|1,0,0]=3 239 B5R0.1 CSCC(N)=O 23231 [0,1,1,0,0,0|1,0,1]=4 240 B5R0.1 CSC[S@](C)=O 63104 [0,1,1,0,0,0|2,0,0]=4 241 B5R0.1 C[C@H](Br)CC#N D88813 [0,1,1,0,0,0|0,0,2]=4 242 B5R0.1 C[C@H](Cl)CCCl D89632 [0,1,1,0,0,0|1,0,0]=3 243 B5R0.1 C[C@H](N)CC#N N12426 [0,1,1,0,0,0|0,0,2]=4 244 B5R0.1 C[C@H](N)CCO 36141 [0,1,1,0,0,0|1,0,0]=3 245 B5R0.1 C[C@H](N)CCO 36142 [0,1,1,0,0,0|1,0,0]=3 246 B5R0.1 C[C@H](N)CCO F11725 [0,1,1,0,0,0|1,0,0]=3 247 B5R0.1 C[C@H](O)CCO 55765 [0,1,1,0,0,0|1,0,0]=3 248 B5R0.1 C[C@H](O)CCO O10183 [0,1,1,0,0,0|1,0,0]=3 249 B5R0.1 C[C@H](O)CNN 71999 [0,1,1,0,0,0|1,0,0]=3 250 B5R0.1 C[NH2+]CC(C)C D91375 [0,1,1,0,0,0|0,0,1]=3 251 B5R0.1 NC(=O)CCBr C16124 [0,1,1,0,0,0|1,0,1]=4 252 B5R0.1 NCCC(N)=O F13534 [0,1,1,0,0,0|1,0,1]=4 253 B5R0.2 BrCCCCBr D77910 [0,1,1,0,0,0|1,0,0]=3 254 B5R0.2 C#CCCCC 75209 [0,1,1,0,0,0|1,0,0]=3 255 B5R0.2 C#CCCCCl 76259 [0,1,1,0,0,0|1,0,1]=4 256 B5R0.2 C#CCCCO 32105 [0,1,1,0,0,0|1,0,1]=4 257 B5R0.2 C=CCCCBr 78391 [0,1,1,0,0,0|1,0,1]=4 258 B5R0.2 C=CCCCCl O11411 [0,1,1,0,0,0|1,0,1]=4 259 B5R0.2 C=CCCCN 68255 [0,1,1,0,0,0|0,0,1]=3 260 B5R0.2 C=CCCCN 86153 [0,1,1,0,0,0|0,0,1]=3 261 B5R0.2 C=CCCCO 76184 [0,1,1,0,0,0|1,0,1]=4 262 B5R0.2 CCC#CCO F19221 [0,1,1,0,0,0|1,0,1]=4 263 B5R0.2 CCCCNN F17594 [0,1,1,0,0,0|0,0,0]=2 264 B5R0.2 CCCCON H11431 [0,1,1,0,0,0|0,0,0]=2 265 B5R0.2 CCCNCC F21346 [0,1,1,0,0,0|0,0,0]=2 266 B5R0.2 CCNCCN AB11316 [0,1,1,0,0,0|0,0,0]=2 267 B5R0.2 CCNCCO 20098 [0,1,1,0,0,0|0,0,0]=2 268 B5R0.2 CCOCCCl 29431 [0,1,1,0,0,0|1,0,0]=3 269 B5R0.2 CCSCCCl D89330 [0,1,1,0,0,0|1,0,0]=3 270 B5R0.2 CCSSCC D89662 [0,1,1,0,0,0|1,0,0]=3 271 B5R0.2 CNCCC#N 75878 [0,1,1,0,0,0|0,0,1]=3 272 B5R0.2 CNCCCCl F16501 [0,1,1,0,0,0|0,0,0]=2 273 B5R0.2 CNCCCN 37144 [0,1,1,0,0,0|0,0,0]=2 274 B5R0.2 CNCCCO 36133 [0,1,1,0,0,0|0,0,0]=2 275 B5R0.2 CNCCNC 39416 [0,1,1,0,0,0|0,0,0]=2 276 B5R0.2 CNCCOC D70346 [0,1,1,0,0,0|0,0,0]=2 277 B5R0.2 CNCCSC AC2521 [0,1,1,0,0,0|0,0,0]=2 278 B5R0.2 COCCC#N D71223 [0,1,1,0,0,0|0,0,2]=4 279 B5R0.2 COCCCBr F11235 [0,1,1,0,0,0|1,0,0]=3 280 B5R0.2 COCCCCl H11766 [0,1,1,0,0,0|1,0,0]=3 281 B5R0.2 COCCCN D81053 [0,1,1,0,0,0|0,0,0]=2 282 B5R0.2 COCCNN 72234 [0,1,1,0,0,0|1,0,0]=3 283 B5R0.2 COCCOC D81126 [0,1,1,0,0,0|1,0,0]=3 284 B5R0.2 COCCOC D83907 [0,1,1,0,0,0|1,0,0]=3 285 B5R0.2 COCCOC F16635 [0,1,1,0,0,0|1,0,0]=3 286 B5R0.2 COCCON D82747 [0,1,1,0,0,0|1,0,0]=3 287 B5R0.2 CSCCCO 79218 [0,1,1,0,0,0|1,0,0]=3 288 B5R0.2 CSCCC[NH3+] D91382 [0,1,1,0,0,0|0,0,1]=3 289 B5R0.2 C\C=C/CCC D90857 [0,1,1,0,0,0|1,0,0]=3 290 B5R0.2 ClCCCCBr F11271 [0,1,1,0,0,0|1,0,0]=3 291 B5R0.2 ClCCCCI A10998 [0,1,1,0,0,0|1,0,0]=3 292 B5R0.2 ClCCOCCl 29087 [0,1,1,0,0,0|2,0,0]=4 293 B5R0.2 FCCCCBr D87758 [0,1,1,0,0,0|1,0,0]=3 294 B5R0.2 ICCCCI AC1274 [0,1,1,0,0,0|1,0,0]=3 295 B5R0.2 N#CCCCBr 35256 [0,1,1,0,0,0|0,0,2]=4 296 B5R0.2 N#CCCCCl 20443 [0,1,1,0,0,0|0,0,2]=4 297 B5R0.2 N#CCCNN F12186 [0,1,1,0,0,0|1,0,1]=4 298 B5R0.2 NCCCCBr 24475 [0,1,1,0,0,0|0,0,0]=2 299 B5R0.2 NCCCCN F17678 [0,1,1,0,0,0|0,0,0]=2 300 B5R0.2 NCCCCN N11902 [0,1,1,0,0,0|0,0,0]=2 301 B5R0.2 NCCCCO 51530 [0,1,1,0,0,0|0,0,0]=2 302 B5R0.2 NC\C=C/CCl C11378 [0,1,1,0,0,0|0,0,2]=4 303 B5R0.2 OCCCCBr 54526 [0,1,1,0,0,0|1,0,0]=3 304 B5R0.2 OCCCCCl F11085 [0,1,1,0,0,0|1,0,0]=3 305 B5R0.2 OCCCCI D81265 [0,1,1,0,0,0|1,0,0]=3 306 B5R0.2 OCCNCO D91013 [0,1,1,0,0,0|1,0,0]=3 307 B5R0.3 C#C[C@@H](O)CC 75224 [0,1,1,0,0,0|1,0,1]=4 308 B5R0.3 C=C[C@@H](O)CC F15421 [0,1,1,0,0,0|1,0,1]=4 309 B5R0.3 CC(CBr)CBr 90917 [0,1,1,0,0,0|2,0,0]=4 310 B5R0.3 CC(CN)CN T72131 [0,1,1,0,0,0|1,0,0]=3 311 B5R0.3 CC(CO)CO D71170 [0,1,1,0,0,0|2,0,0]=4 312 B5R0.3 CCC(=N)NO 22901 [0,1,1,0,0,0|1,0,1]=4 313 B5R0.3 CCC(=O)CBr F10475 [0,1,1,0,0,0|1,0,1]=4 314 B5R0.3 CCC(=O)CO C75383 [0,1,1,0,0,0|1,0,1]=4 315 B5R0.3 CCC(=O)NC D91338 [0,1,1,0,0,0|0,0,1]=3 316 B5R0.3 CCC(=O)NN 20641 [0,1,1,0,0,0|1,0,1]=4 317 B5R0.3 CCC(Br)CC H11324 [0,1,1,0,0,0|1,0,0]=3 318 B5R0.3 CCC(N)CC S12161 [0,1,1,0,0,0|1,0,0]=3 319 B5R0.3 CCN(C)CC D97580 [0,1,1,0,0,0|0,0,0]=2 320 B5R0.3 CCS(=O)CC D81870 [0,1,1,0,0,0|1,0,0]=3 321 B5R0.3 CC[C@H](Br)CBr D89608 [0,1,1,0,0,0|1,0,0]=3 322 B5R0.3 CC[C@H](C)CBr A10884 [0,1,1,0,0,0|1,0,0]=3 323 B5R0.3 CC[C@H](C)CCl D89411 [0,1,1,0,0,0|1,0,0]=3 324 B5R0.3 CC[C@H](C)CI D80608 [0,1,1,0,0,0|1,0,0]=3 325 B5R0.3 CC[C@H](C)CN F16114 [0,1,1,0,0,0|0,0,0]=2 326 B5R0.3 CC[C@H](C)CO 88664 [0,1,1,0,0,0|1,0,0]=3 327 B5R0.3 CC[C@H](C)CS D91431 [0,1,1,0,0,0|1,0,0]=3 328 B5R0.3 CC[C@H](C)NC D95752 [0,1,1,0,0,0|0,0,0]=2 329 B5R0.3 CC[C@H](C)NN 72197 [0,1,1,0,0,0|1,0,0]=3 330 B5R0.3 CC[C@H](N)CO 23160 [0,1,1,0,0,0|1,0,0]=3 331 B5R0.3 CC[C@H](N)CO D87517 [0,1,1,0,0,0|1,0,0]=3 332 B5R0.3 CC[C@H](N)CO F14569 [0,1,1,0,0,0|1,0,0]=3 333 B5R0.3 CC[C@H](O)CN D97409 [0,1,1,0,0,0|0,0,0]=2 334 B5R0.3 CC[C@H](O)CO C10640 [0,1,1,0,0,0|1,0,0]=3 335 B5R0.3 CC[C@H](O)CO O10222 [0,1,1,0,0,0|1,0,0]=3 336 B5R0.3 CNC(=O)CBr H10939 [0,1,1,0,0,0|1,0,1]=4 337 B5R0.3 CNC(=O)CCl 28994 [0,1,1,0,0,0|1,0,1]=4 338 B5R0.3 CNC(=O)CN AC1534 [0,1,1,0,0,0|1,0,1]=4 339 B5R0.3 CNC(=O)CN FD21644 [0,1,1,0,0,0|1,0,1]=4 340 B5R0.3 CNC(=O)NC P17517 [0,1,1,0,0,0|1,0,1]=4 341 B5R0.3 CNC(=O)OC 29564 [0,1,1,0,0,0|1,0,1]=4 342 B5R0.3 CNC(=S)NC D97815 [0,1,1,0,0,0|1,0,1]=4 343 B5R0.3 CN[C@@H](C)C#N 31879 [0,1,1,0,0,0|1,0,1]=4 344 B5R0.3 COC(=O)CN 20047 [0,1,1,0,0,0|1,0,1]=4 345 B5R0.3 CO[C@@H](C)CN 91004 [0,1,1,0,0,0|1,0,0]=3 346 B5R0.3 CO[C@@H](C)CO 29137 [0,1,1,0,0,0|2,0,0]=4 347 B5R0.3 CO[C@@H](C)CO 35966 [0,1,1,0,0,0|2,0,0]=4 348 B5R0.3 C[C@@H](CN)CO 78445 [0,1,1,0,0,0|1,0,0]=3 349 B5R0.3 C[C@@H](CN)CO AB10326 [0,1,1,0,0,0|1,0,0]=3 350 B5R0.3 ClCC(Cl)CCl D97722 [0,1,1,0,0,0|2,0,0]=4 351 B5R0.3 NC(CO)CO F10927 [0,1,1,0,0,0|2,0,0]=4 352 B5R0.3 NCC(O)CN O10345 [0,1,1,0,0,0|1,0,0]=3 353 B5R0.3 NC[C@H](O)CCl 91258 [0,1,1,0,0,0|1,0,0]=3 354 B5R0.3 NC[C@H](O)CCl F14970 [0,1,1,0,0,0|1,0,0]=3 355 B5R0.3 NC[C@H](O)CO 52095 [0,1,1,0,0,0|1,0,0]=3 356 B5R0.3 NC[C@H](O)CO CL4509 [0,1,1,0,0,0|1,0,0]=3 357 B5R0.3 NC[C@H](O)CO H10491 [0,1,1,0,0,0|1,0,0]=3 358 B5R0.3 OC(CBr)CBr 90914 [0,1,1,0,0,0|2,0,0]=4 359 B5R0.3 OCC(O)CO C13300 [0,1,1,0,0,0|2,0,0]=4 360 B5R0.3 OCC(O)CO D92249 [0,1,1,0,0,0|2,0,0]=4 361 B5R0.3 OC[C@H](Cl)CCl D89647 [0,1,1,0,0,0|2,0,0]=4 362 B5R0.3 OC[C@H](O)CBr D84178 [0,1,1,0,0,0|2,0,0]=4 363 B5R0.3 OC[C@H](O)CCl 28070 [0,1,1,0,0,0|2,0,0]=4 364 B5R0.3 OC[C@H](O)CCl 28077 [0,1,1,0,0,0|2,0,0]=4 365 B5R0.3 OC[C@H](O)CS D92320 [0,1,1,0,0,0|2,0,0]=4 366 B5R0.3 OC[C@H](S)CS D89691 [0,1,1,0,0,0|2,0,0]=4 367 B5R0.3 O[C@@H](CCl)CI D79037 [0,1,1,0,0,0|2,0,0]=4 368 B5R0.3 O[C@@H](CCl)CI D79038 [0,1,1,0,0,0|2,0,0]=4 369 B5R1.2 BrC1CCC1 23146 [0,1,0,0,1,0|0,0,0]=2 370 B5R1.2 BrC1CNC1 70950 [0,1,0,0,1,0|0,0,0]=2 371 B5R1.2 BrC1COC1 CS1302 [0,1,0,0,1,0|1,0,0]=3 372 B5R1.2 C=C1CCC1 90960 [0,1,0,0,1,0|0,0,1]=3 373 B5R1.2 CC1CNC1 80306 [0,1,0,0,1,0|0,0,0]=2 374 B5R1.2 C[C@H]1CCN1 86769 [0,1,0,0,1,0|0,0,0]=2 375 B5R1.2 IC1COC1 66502 [0,1,0,0,1,0|1,0,0]=3 376 B5R1.2 NC1CCC1 51600 [0,1,0,0,1,0|0,0,0]=2 377 B5R1.2 NC1CCC1 F10463 [0,1,0,0,1,0|0,0,0]=2 378 B5R1.2 NC1CNC1 SC3251 [0,1,0,0,1,0|0,0,0]=2 379 B5R1.2 NC1COC1 66129 [0,1,0,0,1,0|1,0,0]=3 380 B5R1.2 NC1COC1 CS1335 [0,1,0,0,1,0|1,0,0]=3 381 B5R1.2 O=C1CCC1 24502 [0,1,0,0,1,0|0,0,1]=3 382 B5R1.2 O=C1CCN1 52806 [0,1,0,0,1,0|0,0,1]=3 383 B5R1.2 O=C1CCO1 AT19319 [0,1,0,0,1,0|1,0,1]=4 384 B5R1.2 O=C1CNC1 51063 [0,1,0,0,1,0|0,0,1]=3 385 B5R1.2 O=C1COC1 66386 [0,1,0,0,1,0|1,0,1]=4 386 B5R1.2 O=C1CSC1 BL008272 [0,1,0,0,1,0|1,0,1]=4 387 B5R1.2 OC1CCC1 59166 [0,1,0,0,1,0|0,0,0]=2 388 B5R1.2 OC1CNC1 52824 [0,1,0,0,1,0|0,0,0]=2 389 B5R1.2 OC1COC1 66387 [0,1,0,0,1,0|1,0,0]=3 390 B5R1.2 OC1CSC1 P17229 [0,1,0,0,1,0|1,0,0]=3 391 B7R1.3 BrC1=CCCCC1 N12373 [0,1,0,0,0,1|1,0,0]=3 392 B7R1.3 BrC1CCCCC1 P19773 [0,1,0,0,0,1|1,0,0]=3 393 B7R1.3 BrC1CCNCC1 CL3102 [0,1,0,0,0,1|0,0,0]=2 394 B7R1.3 BrC1CCOCC1 34656 [0,1,0,0,0,1|1,0,0]=3 395 B7R1.3 Br[C@@H]1C=CCCC1 25070 [0,1,0,0,0,1|1,0,0]=3 396 B7R1.3 Br[C@H]1CCCNC1 P16558 [0,1,0,0,0,1|0,0,0]=2 397 B7R1.3 Br[C@H]1CCCOC1 26576 [0,1,0,0,0,1|1,0,0]=3 398 B7R1.3 CC1=CCCCC1 H10759 [0,1,0,0,0,1|1,0,0]=3 399 B7R1.3 CC1=CCCNC1 39250 [0,1,0,0,0,1|0,0,1]=3 400 B7R1.3 CC1=CCNCC1 39249 [0,1,0,0,0,1|0,0,1]=3 401 B7R1.3 CC1SCCCS1 D75611 [0,1,0,0,0,1|1,0,0]=3 402 B7R1.3 CN1CCNCC1 D70771 [0,1,0,0,0,1|0,0,0]=2 403 B7R1.3 CN1CCOCC1 AB7556 [0,1,0,0,0,1|0,0,0]=2 404 B7R1.3 C[C@H]1CCCCN1 64251 [0,1,0,0,0,1|0,0,0]=2 405 B7R1.3 C[C@H]1CCCCN1 64253 [0,1,0,0,0,1|0,0,0]=2 406 B7R1.3 C[C@H]1CCCNC1 79119 [0,1,0,0,0,1|0,0,0]=2 407 B7R1.3 C[C@H]1CCCNC1 N10739 [0,1,0,0,0,1|0,0,0]=2 408 B7R1.3 C[C@H]1CNCCN1 29363 [0,1,0,0,0,1|0,0,0]=2 409 B7R1.3 C[C@H]1CNCCN1 29364 [0,1,0,0,0,1|0,0,0]=2 410 B7R1.3 C[C@H]1CNCCN1 29365 [0,1,0,0,0,1|0,0,0]=2 411 B7R1.3 C[C@H]1CNCCN1 29366 [0,1,0,0,0,1|0,0,0]=2 412 B7R1.3 C[C@H]1CNCCO1 27675 [0,1,0,0,0,1|0,0,0]=2 413 B7R1.3 C[C@H]1CNCCO1 F13092 [0,1,0,0,0,1|0,0,0]=2 414 B7R1.3 C[C@H]1COCCN1 24436 [0,1,0,0,0,1|0,0,0]=2 415 B7R1.3 C[C@H]1COCCN1 25281 [0,1,0,0,0,1|0,0,0]=2 416 B7R1.3 C[C@H]1COCCN1 36208 [0,1,0,0,0,1|0,0,0]=2 417 B7R1.3 C[C@H]1COCCN1 39286 [0,1,0,0,0,1|0,0,0]=2 418 B7R1.3 C[C@H]1COCCN1 63476 [0,1,0,0,0,1|0,0,0]=2 419 B7R1.3 ClC1CCNCC1 57750 [0,1,0,0,0,1|0,0,0]=2 420 B7R1.3 ClC1CCOCC1 F17652 [0,1,0,0,0,1|1,0,0]=3 421 B7R1.3 FC1CCNCC1 37042 [0,1,0,0,0,1|0,0,0]=2 422 B7R1.3 FC1CCNCC1 I11481 [0,1,0,0,0,1|0,0,0]=2 423 B7R1.3 F[C@H]1CCCNC1 37083 [0,1,0,0,0,1|0,0,0]=2 424 B7R1.3 IC1CCCCC1 F20359 [0,1,0,0,0,1|1,0,0]=3 425 B7R1.3 IC1CCOCC1 25900 [0,1,0,0,0,1|1,0,0]=3 426 B7R1.3 NC1CCNCC1 66081 [0,1,0,0,0,1|0,0,0]=2 427 B7R1.3 NC1CCNCC1 66087 [0,1,0,0,0,1|0,0,0]=2 428 B7R1.3 NC1CCOCC1 66544 [0,1,0,0,0,1|1,0,0]=3 429 B7R1.3 NC1CCOCC1 83442 [0,1,0,0,0,1|1,0,0]=3 430 B7R1.3 NC1CCOCC1 D95622 [0,1,0,0,0,1|1,0,0]=3 431 B7R1.3 NC1CCSCC1 F15695 [0,1,0,0,0,1|1,0,0]=3 432 B7R1.3 NC1CCSCC1 SC1591 [0,1,0,0,0,1|1,0,0]=3 433 B7R1.3 NN1CCCCC1 77856 [0,1,0,0,0,1|0,0,0]=2 434 B7R1.3 NN1CCCCC1 78303 [0,1,0,0,0,1|0,0,0]=2 435 B7R1.3 NN1CCOCC1 28683 [0,1,0,0,0,1|0,0,0]=2 436 B7R1.3 N[C@H]1CCCNC1 51800 [0,1,0,0,0,1|0,0,0]=2 437 B7R1.3 N[C@H]1CCCNC1 51802 [0,1,0,0,0,1|0,0,0]=2 438 B7R1.3 N[C@H]1CCCNC1 51816 [0,1,0,0,0,1|0,0,0]=2 439 B7R1.3 N[C@H]1CCCNC1 D77676 [0,1,0,0,0,1|0,0,0]=2 440 B7R1.3 N[C@H]1CCCOC1 53314 [0,1,0,0,0,1|1,0,0]=3 441 B7R1.3 N[C@H]1CCCOC1 69737 [0,1,0,0,0,1|1,0,0]=3 442 B7R1.3 N[C@H]1CCCOC1 P10539 [0,1,0,0,0,1|1,0,0]=3 443 B7R1.3 O=C1CCCCN1 F10312 [0,1,0,0,0,1|0,0,0]=2 444 B7R1.3 O=C1CCCCO1 20506 [0,1,0,0,0,1|1,0,0]=3 445 B7R1.3 O=C1CCCNC1 36189 [0,1,0,0,0,1|0,0,0]=2 446 B7R1.3 O=C1CCCNC1 65124 [0,1,0,0,0,1|0,0,0]=2 447 B7R1.3 O=C1CCCOC1 67990 [0,1,0,0,0,1|1,0,0]=3 448 B7R1.3 O=C1CCCSC1 38182 [0,1,0,0,0,1|1,0,0]=3 449 B7R1.3 O=C1CCNCC1 AB2978 [0,1,0,0,0,1|0,0,0]=2 450 B7R1.3 O=C1CCNCC1 AB7716 [0,1,0,0,0,1|0,0,0]=2 451 B7R1.3 O=C1CCOCC1 28100 [0,1,0,0,0,1|1,0,0]=3 452 B7R1.3 O=C1CCSCC1 34742 [0,1,0,0,0,1|1,0,0]=3 453 B7R1.3 O=C1CNCCN1 65258 [0,1,0,0,0,1|0,0,1]=3 454 B7R1.3 O=C1COCCN1 35814 [0,1,0,0,0,1|0,0,1]=3 455 B7R1.3 O=C1COCCO1 39291 [0,1,0,0,0,1|1,0,1]=4 456 B7R1.3 O=C1NCCCN1 F14817 [0,1,0,0,0,1|0,0,1]=3 457 B7R1.3 O=C1NCCCO1 30441 [0,1,0,0,0,1|0,0,1]=3 458 B7R1.3 O=C1OCCCO1 F20507 [0,1,0,0,0,1|1,0,1]=4 459 B7R1.3 O=S1CCNCC1 C10519 [0,1,0,0,0,1|0,0,0]=2 460 B7R1.3 O=S1OCCCO1 D90284 [0,1,0,0,0,1|2,0,0]=4 461 B7R1.3 OC1CCNCC1 34448 [0,1,0,0,0,1|0,0,0]=2 462 B7R1.3 OC1CCNCC1 67739 [0,1,0,0,0,1|0,0,0]=2 463 B7R1.3 OC1CCOCC1 67293 [0,1,0,0,0,1|1,0,0]=3 464 B7R1.3 OC1CCSCC1 25187 [0,1,0,0,0,1|1,0,0]=3 465 B7R1.3 OC1COCOC1 C10654 [0,1,0,0,0,1|1,0,0]=3 466 B7R1.3 ON1CCCCC1 65654 [0,1,0,0,0,1|0,0,0]=2 467 B7R1.3 O[C@@H]1C=CCCC1 59596 [0,1,0,0,0,1|1,0,0]=3 468 B7R1.3 O[C@@H]1CC=CCC1 D83542 [0,1,0,0,0,1|1,0,0]=3 469 B7R1.3 O[C@@H]1CCCCO1 F19855 [0,1,0,0,0,1|1,0,0]=3 470 B7R1.3 O[C@H]1CCCNC1 29155 [0,1,0,0,0,1|0,0,0]=2 471 B7R1.3 O[C@H]1CCCNC1 29156 [0,1,0,0,0,1|0,0,0]=2 472 B7R1.3 O[C@H]1CCCNC1 29157 [0,1,0,0,0,1|0,0,0]=2 473 B7R1.3 O[C@H]1CCCNC1 37164 [0,1,0,0,0,1|0,0,0]=2 474 B7R1.3 O[C@H]1CCCNC1 67738 [0,1,0,0,0,1|0,0,0]=2 475 B7R1.3 O[C@H]1CCCNC1 P10773 [0,1,0,0,0,1|0,0,0]=2 476 B7R1.3 O[C@H]1CCCOC1 25828 [0,1,0,0,0,1|1,0,0]=3 477 B7R1.3 S=C1NCCCN1 D97545 [0,1,0,0,0,1|0,0,1]=3 478 B7R1.1 BrCC1CCCC1 54494 [0,2,0,0,0,0|1,0,0]=3 479 B7R1.1 BrCC1OCCO1 O10502 [0,2,0,0,0,0|2,0,0]=4 480 B7R1.1 BrC[C@H]1CCCO1 P10030 [0,2,0,0,0,0|1,0,0]=3 481 B7R1.1 C#CC1CCCC1 F16298 [0,2,0,0,0,0|1,0,0]=3 482 B7R1.1 CCN1CCCC1 F17079 [0,2,0,0,0,0|0,0,0]=2 483 B7R1.1 CNC1CCCC1 F20064 [0,2,0,0,0,0|1,0,0]=3 484 B7R1.1 CN[C@H]1CCNC1 22848 [0,2,0,0,0,0|0,0,0]=2 485 B7R1.1 CN[C@H]1CCNC1 71156 [0,2,0,0,0,0|0,0,0]=2 486 B7R1.1 CN[C@H]1CCOC1 P10528 [0,2,0,0,0,0|1,0,0]=3 487 B7R1.1 CN[C@H]1CCOC1 P10858 [0,2,0,0,0,0|1,0,0]=3 488 B7R1.1 COC1=NCCC1 O11464 [0,2,0,0,0,0|0,0,2]=4 489 B7R1.1 COC1OCCO1 D78408 [0,2,0,0,0,0|2,0,0]=4 490 B7R1.1 CO[C@H]1CCNC1 27715 [0,2,0,0,0,0|0,0,0]=2 491 B7R1.1 CO[C@H]1CCNC1 63946 [0,2,0,0,0,0|0,0,0]=2 492 B7R1.1 CO[C@H]1CCNC1 63947 [0,2,0,0,0,0|0,0,0]=2 493 B7R1.1 CO[C@H]1CCNC1 P10861 [0,2,0,0,0,0|0,0,0]=2 494 B7R1.1 CSC1=NCCN1 D83700 [0,2,0,0,0,0|1,0,1]=4 495 B7R1.1 CSC1=NCCN1 D94694 [0,2,0,0,0,0|1,0,1]=4 496 B7R1.1 ClCC1=NCCN1 34212 [0,2,0,0,0,0|1,0,1]=4 497 B7R1.1 ClCC1OCCO1 H10733 [0,2,0,0,0,0|2,0,0]=4 498 B7R1.1 ClC[C@H]1CCCO1 D78464 [0,2,0,0,0,0|1,0,0]=3 499 B7R1.1 ICC1CCCC1 53338 [0,2,0,0,0,0|1,0,0]=3 500 B7R1.1 IC[C@H]1CCOC1 P10359 [0,2,0,0,0,0|1,0,0]=3 501 B7R1.1 N#CC1CCCC1 35375 [0,2,0,0,0,0|1,0,0]=3 502 B7R1.1 N#CN1CCCC1 T71834 [0,2,0,0,0,0|0,0,0]=2 503 B7R1.1 N#C[C@@H]1CCCN1 37677 [0,2,0,0,0,0|0,0,0]=2 504 B7R1.1 N#C[C@@H]1CCCN1 37679 [0,2,0,0,0,0|0,0,0]=2 505 B7R1.1 N#C[C@H]1CCOC1 71748 [0,2,0,0,0,0|1,0,0]=3 506 B7R1.1 NCC1CCCC1 52183 [0,2,0,0,0,0|1,0,0]=3 507 B7R1.1 NCC1OCCO1 F50673 [0,2,0,0,0,0|2,0,0]=4 508 B7R1.1 NC[C@H]1CCCN1 36336 [0,2,0,0,0,0|0,0,0]=2 509 B7R1.1 NC[C@H]1CCCN1 38156 [0,2,0,0,0,0|0,0,0]=2 510 B7R1.1 NC[C@H]1CCOC1 37315 [0,2,0,0,0,0|1,0,0]=3 511 B7R1.1 NC[C@H]1CCOC1 SC2551 [0,2,0,0,0,0|1,0,0]=3 512 B7R1.1 NNC1=NCCN1 F16789 [0,2,0,0,0,0|1,0,1]=4 513 B7R1.1 NNC1CCCC1 AB1370 [0,2,0,0,0,0|1,0,0]=3 514 B7R1.1 O=CC1CCCC1 H11353 [0,2,0,0,0,0|1,0,0]=3 515 B7R1.1 O=CN1CCCC1 D83491 [0,2,0,0,0,0|0,0,0]=2 516 B7R1.1 O=C[C@H]1CCOC1 I10170 [0,2,0,0,0,0|1,0,0]=3 517 B7R1.1 O=NN1CCCC1 D82025 [0,2,0,0,0,0|0,0,0]=2 518 B7R1.1 OCC1CC=CC1 23897 [0,2,0,0,0,0|1,0,1]=4 519 B7R1.1 OCC1CCCC1 23321 [0,2,0,0,0,0|1,0,0]=3 520 B7R1.1 OCC1OCCO1 I11345 [0,2,0,0,0,0|2,0,0]=4 521 B7R1.1 OC[C@H]1CCCN1 11146 [0,2,0,0,0,0|0,0,0]=2 522 B7R1.1 OC[C@H]1CCCN1 11148 [0,2,0,0,0,0|0,0,0]=2 523 B7R1.1 OC[C@H]1CCCN1 F10903 [0,2,0,0,0,0|0,0,0]=2 524 B7R1.1 OC[C@H]1CCCO1 D77646 [0,2,0,0,0,0|1,0,0]=3 525 B7R1.1 OC[C@H]1CCCO1 W18447 [0,2,0,0,0,0|1,0,0]=3 526 B7R1.1 OC[C@H]1CCNC1 25702 [0,2,0,0,0,0|0,0,0]=2 527 B7R1.1 OC[C@H]1CCNC1 62385 [0,2,0,0,0,0|0,0,0]=2 528 B7R1.1 OC[C@H]1CCNC1 62386 [0,2,0,0,0,0|0,0,0]=2 529 B7R1.1 OC[C@H]1CCNC1 62387 [0,2,0,0,0,0|0,0,0]=2 530 B7R1.1 OC[C@H]1CCOC1 83670 [0,2,0,0,0,0|1,0,0]=3 531 B7R1.1 OC[C@H]1COCO1 D70284 [0,2,0,0,0,0|2,0,0]=4 532 B7R1.1 ON=C1CCCC1 FD9020 [0,2,0,0,0,0|1,0,0]=3 533 B7R1.2 CC1CCC(C)N1 D96806 [0,2,0,0,0,0|0,0,0]=2 534 B7R1.2 CN1CC[C@H](N)C1 25845 [0,2,0,0,0,0|0,0,0]=2 535 B7R1.2 CN1CC[C@H](N)C1 72398 [0,2,0,0,0,0|0,0,0]=2 536 B7R1.2 CN1CC[C@H](O)C1 62204 [0,2,0,0,0,0|0,0,0]=2 537 B7R1.2 CN1CC[C@H](O)C1 62205 [0,2,0,0,0,0|0,0,0]=2 538 B7R1.2 CN1CC[C@H](O)C1 62206 [0,2,0,0,0,0|0,0,0]=2 539 B7R1.2 C[C@@H]1CNC(=O)C1 P10078 [0,2,0,0,0,0|0,0,1]=3 540 B7R1.2 C[C@H]1CCC(=O)C1 F10505 [0,2,0,0,0,0|1,0,0]=3 541 B7R1.2 C[C@H]1CCC(=O)N1 D72848 [0,2,0,0,0,0|0,0,1]=3 542 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [0,2,0,0,0,0|1,0,1]=4 543 B7R1.2 N[C@@H]1CNC(=O)C1 38799 [0,2,0,0,0,0|0,0,1]=3 544 B7R1.2 N[C@@H]1CNC(=O)C1 SC5061 [0,2,0,0,0,0|0,0,1]=3 545 B7R1.2 N[C@@H]1COC(=O)C1 FD1172 [0,2,0,0,0,0|1,0,1]=4 546 B7R1.2 O=C1CCC(=O)C1 23085 [0,2,0,0,0,0|1,0,1]=4 547 B7R1.2 O=C1C[C@H](O)CN1 26280 [0,2,0,0,0,0|0,0,1]=3 548 B7R1.2 O=C1C[C@H](O)CN1 62393 [0,2,0,0,0,0|0,0,1]=3 549 B7R1.2 O=C1C[C@H](O)CN1 62394 [0,2,0,0,0,0|0,0,1]=3 550 B7R1.2 O=C1C[C@H](O)CO1 H11711 [0,2,0,0,0,0|1,0,1]=4 551 B7R1.2 OC1CCC(O)C1 P10003 [0,2,0,0,0,0|1,0,0]=3 552 B7R1.4 CC1OCCC1S AT13652 [0,2,0,0,0,0|1,0,0]=3 553 B7R1.4 CN1CCCC1=O D78116 [0,2,0,0,0,0|0,0,1]=3 554 B7R1.4 CN1CCCC1=S F16372 [0,2,0,0,0,0|0,0,1]=3 555 B7R1.4 CN1CCOC1=O 70761 [0,2,0,0,0,0|1,0,1]=4 556 B7R1.4 C[C@@H]1OCCC1=O O10840 [0,2,0,0,0,0|1,0,1]=4 557 B7R1.4 C[C@@H]1SCCC1=O AC7518 [0,2,0,0,0,0|1,0,1]=4 558 B7R1.4 C[C@H]1CCCC1=O 29606 [0,2,0,0,0,0|1,0,0]=3 559 B7R1.4 C[C@H]1CCOC1=O D70164 [0,2,0,0,0,0|1,0,1]=4 560 B7R1.4 NC1CCCC1O 25425 [0,2,0,0,0,0|1,0,0]=3 561 B7R1.4 NN1CCCC1=O 67417 [0,2,0,0,0,0|0,0,1]=3 562 B7R1.4 N[C@@H]1CCC[C@@H]1O 26214 [0,2,0,0,0,0|1,0,0]=3 563 B7R1.4 N[C@@H]1CCC[C@@H]1O 35677 [0,2,0,0,0,0|1,0,0]=3 564 B7R1.4 N[C@@H]1CCC[C@@H]1O P18490 [0,2,0,0,0,0|1,0,0]=3 565 B7R1.4 N[C@H]1CCC[C@@H]1O 28945 [0,2,0,0,0,0|1,0,0]=3 566 B7R1.4 N[C@H]1CCC[C@@H]1O 34523 [0,2,0,0,0,0|1,0,0]=3 567 B7R1.4 N[C@H]1CCC[C@@H]1O P15627 [0,2,0,0,0,0|1,0,0]=3 568 B7R1.4 N[C@H]1CCNC1=O 51275 [0,2,0,0,0,0|0,0,1]=3 569 B7R1.4 N[C@H]1CCNC1=O F31053 [0,2,0,0,0,0|0,0,1]=3 570 B7R1.4 N[C@H]1CCOC1=O 28853 [0,2,0,0,0,0|1,0,1]=4 571 B7R1.4 N[C@H]1CCOC1=O F14759 [0,2,0,0,0,0|1,0,1]=4 572 B7R1.4 N[C@H]1CCOC1=O FD1139 [0,2,0,0,0,0|1,0,1]=4 573 B7R1.4 N[C@H]1CCOC1=O FD1142 [0,2,0,0,0,0|1,0,1]=4 574 B7R1.4 N[C@H]1CCOC1=O W12226 [0,2,0,0,0,0|1,0,1]=4 575 B7R1.4 N[C@H]1CCSC1=O F17227 [0,2,0,0,0,0|1,0,1]=4 576 B7R1.4 N[C@H]1COC[C@@H]1O 72165 [0,2,0,0,0,0|1,0,0]=3 577 B7R1.4 N[C@H]1CONC1=O 34883 [0,2,0,0,0,0|1,0,1]=4 578 B7R1.4 N[C@H]1CONC1=O 50854 [0,2,0,0,0,0|1,0,1]=4 579 B7R1.4 O=C1CCC[C@@H]1Cl F10995 [0,2,0,0,0,0|1,0,0]=3 580 B7R1.4 O=C1NCC[C@@H]1O 25307 [0,2,0,0,0,0|0,0,1]=3 581 B7R1.4 O=C1NCC[C@@H]1O 27245 [0,2,0,0,0,0|0,0,1]=3 582 B7R1.4 O=C1NCC[C@@H]1O 68731 [0,2,0,0,0,0|0,0,1]=3 583 B7R1.4 O=C1OCC[C@@H]1Br H10671 [0,2,0,0,0,0|1,0,1]=4 584 B7R1.4 O=C1OCC[C@@H]1O A12215 [0,2,0,0,0,0|1,0,1]=4 585 B7R1.4 O=C1OCC[C@@H]1O T72635 [0,2,0,0,0,0|1,0,1]=4 586 B7R1.4 OC1CCCC1O 31469 [0,2,0,0,0,0|1,0,0]=3 587 B7R1.4 O[C@H]1CCC[C@@H]1Cl AC7912 [0,2,0,0,0,0|1,0,0]=3 588 B7R1.4 O[C@H]1CCC[C@@H]1O AC7934 [0,2,0,0,0,0|1,0,0]=3 589 B7R1.4 O[C@H]1CNC[C@@H]1F 72841 [0,2,0,0,0,0|0,0,0]=2 590 B7R1.4 O[C@H]1CNC[C@@H]1O 27317 [0,2,0,0,0,0|0,0,0]=2 591 B7R1.4 O[C@H]1CNC[C@@H]1O 38821 [0,2,0,0,0,0|0,0,0]=2 592 B7R1.4 O[C@H]1CNC[C@H]1O 38822 [0,2,0,0,0,0|0,0,0]=2 593 B7R1.4 O[C@H]1COC[C@@H]1O 53260 [0,2,0,0,0,0|1,0,0]=3 594 B7R1.14 CC1(C)CCNC1 AB7085 [0,2,0,0,0,0|0,0,0]=2 595 B7R1.14 CC1(C)NCCS1 23422 [0,2,0,0,0,0|1,0,0]=3 596 B7R1.14 CC1(O)CCCC1 35177 [0,2,0,0,0,0|1,0,0]=3 597 B7R1.14 C[C@]1(O)CCNC1 37166 [0,2,0,0,0,0|0,0,0]=2 598 B7R1.14 C[C@]1(O)CCNC1 72101 [0,2,0,0,0,0|0,0,0]=2 599 B7R1.14 FC1(F)CCNC1 60328 [0,2,0,0,0,0|0,0,0]=2 600 B7R1.14 FC1(F)CCNC1 I11425 [0,2,0,0,0,0|0,0,0]=2 601 B7R1.14 N=S1(=O)CCCC1 W16224 [0,2,0,0,0,0|1,0,0]=3 602 B7R1.14 O=S1(=O)CCCC1 D78046 [0,2,0,0,0,0|1,0,0]=3 603 B7R1.14 O=S1(=O)CCCN1 P10768 [0,2,0,0,0,0|1,0,0]=3 604 B5R1.3 BrCC1CC1 23011 [0,0,1,1,0,0|1,0,0]=3 605 B5R1.3 BrC[C@H]1CO1 D87836 [0,0,1,1,0,0|2,0,0]=4 606 B5R1.3 C#CC1CC1 F15427 [0,0,1,1,0,0|1,0,1]=4 607 B5R1.3 CC[C@H]1CO1 A11382 [0,0,1,1,0,0|1,0,0]=3 608 B5R1.3 CNC1CC1 83251 [0,0,1,1,0,0|0,0,0]=2 609 B5R1.3 CNC1CC1 BL006056 [0,0,1,1,0,0|0,0,0]=2 610 B5R1.3 ClCC1CC1 58186 [0,0,1,1,0,0|1,0,0]=3 611 B5R1.3 ClC[C@H]1CO1 37930 [0,0,1,1,0,0|2,0,0]=4 612 B5R1.3 NCC1CC1 F11902 [0,0,1,1,0,0|0,0,0]=2 613 B5R1.3 O=CC1CC1 82833 [0,0,1,1,0,0|1,0,1]=4 614 B5R1.3 OC[C@H]1CO1 23077 [0,0,1,1,0,0|2,0,0]=4 615 B5R1.3 OC[C@H]1CO1 A10767 [0,0,1,1,0,0|2,0,0]=4 616 B5R1.3 OC[C@H]1CO1 H11320 [0,0,1,1,0,0|2,0,0]=4 617 B5R1.4 N[C@@H]1C[C@@H]1F P19427 [0,0,1,1,0,0|1,0,0]=3 618 B7R2.13 C1CC2OC2C1 28601 [0,0,0,1,0,1|1,0,0]=3 619 B7R2.13 C1NCC2CC12 80416 [0,0,0,1,0,1|0,0,0]=2 620 B7R2.13 C1OCC2OC12 39124 [0,0,0,1,0,1|1,0,0]=3 621 B7R2.11 C1CN2CN1C2 C75015 [0,1,0,1,0,0|1,0,0]=3 622 B7R1.24 C1CNCCNC1 F10906 [0,0,0,0,0,2|0,0,0]=2 623 B7R1.24 C1CNCCOC1 31105 [0,0,0,0,0,2|0,0,0]=2