0 B5R0.2 C=CCCCBr DY460284 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 CCC#CCC DY740797 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 CCCCCBr NO20657 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.2 CCCC[Mg]Cl DY567561 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.2 CCOCCBr NO21396 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.2 CCO\C=C\Br DY456448 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.2 CC\C=C\CO DY527871 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.2 CNCCC#N NO22369 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.2 CNCCCO NO14200 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.2 CNCCNC NO15116 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.2 COCCC#N NO22345 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.2 COCCCBr NO20649 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 COCCCO NO20039 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.2 COCCOC DY546591 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.2 CSCCCO DY557199 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.2 C\C=C\CCO DY799773 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.2 ClC\C=C\CCl DY10276 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.2 ClC\C=C\CCl DY10277 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.2 FCCCCF DY822299 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.2 N#CCCCN DY548775 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.2 NCCCCBr NO14979 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.2 NCCCCN NO19906 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.2 OCCCCF DY822291 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.2 OC\C=C\CCl DY10262 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.2 BrCCCBr DY459264 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.2 C#CCCI DY554547 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.2 C#CCCO DY580491 [1,0,0,0,0,0|0,0,2]=3 27 B4R0.2 C=CCCN DY740341 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 CCCCBr DY460620 [1,0,0,0,0,0|1,0,0]=2 29 B4R0.2 CCNCC NO11240 [1,0,0,0,0,0|1,0,0]=2 30 B4R0.2 CNCC#N NO19888 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.2 CNCCBr DY584482 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.2 CNCCO NO20910 [1,0,0,0,0,0|1,0,0]=2 33 B4R0.2 COCC=O DY740317 [1,0,0,0,0,0|0,0,2]=3 34 B4R0.2 COCCBr DY578823 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.2 COCCN DY822486 [1,0,0,0,0,0|1,0,0]=2 36 B4R0.2 COCCO DY457570 [1,0,0,0,0,0|0,0,0]=1 37 B4R0.2 CSCSC DY528795 [1,0,0,0,0,0|2,1,0]=4 38 B4R0.2 FCCCF DY822298 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 ICCCI DY564171 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.2 N#CCCBr NO22188 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 N#CCCN DY526113 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 NCCCBr NO22190 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.2 OCCCF DY822290 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.2 SCCCS DY740347 [1,0,0,0,0,0|1,1,0]=3 45 B4R0.2 [Li]CCCC DY790335 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.1 CC(CN)CCN DY791871 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.1 CCCC(C)CBr DY112368 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.1 CCCC(O)CO NO20495 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.1 CCNC(=O)CN DY461322 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 CCOC(=O)CC DY460554 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.1 CCOC(=O)CN DY700831 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.1 CCOC(=O)CN NO15347 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.1 CCOC(=O)CO NO11386 [0,1,0,0,0,0|0,0,1]=2 54 B6R0.1 CCOC(=O)NN NO11383 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 COC(=N)CCCl DY799605 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.1 COC(=O)CCCl DY741043 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.1 COC(=O)CCN NO22266 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.1 NCCC(O)CO DY608108 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.1 N\C(CCO)=N/O DY607623 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.1 O=C(CCl)NCO NO14580 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.1 OC(CBr)CCBr DY740743 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.4 C=COCC(C)C DY822723 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.4 CC(=O)CCCBr NO10305 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.4 CC(=O)CCCCl NO10334 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.4 CC(=O)NCCCl DY33011 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.4 CC(C)CCCBr DY740443 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.4 CC(C)NCCN DY20461 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.4 CCCCC(C)O DY740779 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.4 CCCC[SiH](C)C DY500283 [0,1,0,0,0,0|2,1,0]=4 70 B6R0.4 CCNCC(C)C DY564723 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.4 CN(C)CCCBr NO22184 [0,1,0,0,0,0|3,0,0]=4 72 B6R0.4 CN(C)CCCCl NO13505 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.4 CN(C)CCCCl NO14943 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.4 CNCCC(C)C DY543681 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.4 CNCCC(C)C DY553713 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.4 NCCCC(=O)O NO14998 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.4 O=C(O)CCCBr NO14053 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.6 BrCCNCCBr NO11032 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.6 C#CCNCCBr DY540501 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.6 C#CCOCCO DY457828 [0,1,0,0,0,0|0,0,1]=2 81 B6R0.6 C=CCCCCCl DY427568 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.6 C=CCCCCO NO10397 [0,1,0,0,0,0|1,0,1]=3 83 B6R0.6 C=COCCON DY106384 [0,1,0,0,0,0|0,0,2]=3 84 B6R0.6 CC#CCCCO DY580533 [0,1,0,0,0,0|1,0,1]=3 85 B6R0.6 CCCCON=O DY461106 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.6 CCCCSCC DY740893 [0,1,0,0,0,0|1,1,0]=3 87 B6R0.6 CCCOCCO DY740785 [0,1,0,0,0,0|0,0,0]=1 88 B6R0.6 CNCCCCBr DY741283 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.6 CNCCCCO DY554133 [0,1,0,0,0,0|1,0,0]=2 90 B6R0.6 COCCCCBr NO22933 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.6 COCCCCO DY741295 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.6 COCCCOC DY792147 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.6 ClCCCCCBr DY559653 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.6 ClCCNCCCl NO16038 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.6 FCCCCCBr NO14708 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.6 FCCCCCF DY822300 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.6 N#CCCCCCl NO10359 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.6 NCCCCCN NO19074 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.6 NCCNCCN DY740695 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.6 NCCNCCO DY506670 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.6 O=CCCCCBr DY510224 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.6 OCCCCCCl NO14778 [0,1,0,0,0,0|1,0,0]=2 103 B6R0.6 OCCCCCF DY822292 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.6 OCCCCCO NO20549 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.6 OCCNCCCl DY544797 [0,1,0,0,0,0|1,0,0]=2 106 B6R1.1 C1=CCNCC1 DY444071 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.1 C1=CCSCC1 DY427366 [0,0,0,1,0,0|1,1,1]=4 108 B6R1.1 C1=COCCC1 DY20500 [0,0,0,1,0,0|1,0,2]=4 109 B6R1.1 C1CCNCC1 DY822173 [0,0,0,1,0,0|2,0,0]=3 110 B6R1.1 C1CCNNC1 DY586554 [0,0,0,1,0,0|3,0,0]=4 111 B6R1.1 C1CCNNC1 NO17893 [0,0,0,1,0,0|3,0,0]=4 112 B6R1.1 C1CCSCC1 DY822278 [0,0,0,1,0,0|1,1,0]=3 113 B6R1.1 C1CNCOC1 DY524601 [0,0,0,1,0,0|2,0,0]=3 114 B6R1.1 C1COCCN1 DY20726 [0,0,0,1,0,0|1,0,0]=2 115 B6R1.1 C1COCOC1 DY822672 [0,0,0,1,0,0|2,0,0]=3 116 B6R1.1 C1CSCCN1 DY20759 [0,0,0,1,0,0|1,1,0]=3 117 B6R1.2 BrC1CCNC1 NO15742 [0,0,0,1,0,0|2,0,0]=3 118 B6R1.2 C=C1CCSC1 DY523665 [0,0,0,1,0,0|1,1,1]=4 119 B6R1.2 CC1=NCCC1 NO21664 [0,0,0,1,0,0|2,0,1]=4 120 B6R1.2 CC1CCCN1 NO21699 [0,0,0,1,0,0|2,0,0]=3 121 B6R1.2 CC1CCCN1 NO21700 [0,0,0,1,0,0|2,0,0]=3 122 B6R1.2 CC1CCCO1 DY20580 [0,0,0,1,0,0|1,0,0]=2 123 B6R1.2 CC1CCNC1 DY667237 [0,0,0,1,0,0|2,0,0]=3 124 B6R1.2 C[C@@H]1CCCN1 NO18299 [0,0,0,1,0,0|2,0,0]=3 125 B6R1.2 C[C@H]1CCCN1 NO18800 [0,0,0,1,0,0|2,0,0]=3 126 B6R1.2 C[C@H]1CCCN1 NO19735 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.2 FC1CCNC1 NO12894 [0,0,0,1,0,0|2,0,0]=3 128 B6R1.2 F[C@H]1CCNC1 NO14870 [0,0,0,1,0,0|2,0,0]=3 129 B6R1.2 NC1CC=CC1 NO19415 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 NC1CCNC1 DY572169 [0,0,0,1,0,0|2,0,0]=3 131 B6R1.2 NC1CCOC1 NO12010 [0,0,0,1,0,0|1,0,0]=2 132 B6R1.2 NN1CCCC1 DY564555 [0,0,0,1,0,0|3,0,0]=4 133 B6R1.2 N[C@@H]1CCOC1 DY623409 [0,0,0,1,0,0|1,0,0]=2 134 B6R1.2 N[C@@H]1CCOC1 NO13003 [0,0,0,1,0,0|1,0,0]=2 135 B6R1.2 N[C@H]1CCNC1 DY508670 [0,0,0,1,0,0|2,0,0]=3 136 B6R1.2 N[C@H]1CCOC1 DY626689 [0,0,0,1,0,0|1,0,0]=2 137 B6R1.2 N[C@H]1CCOC1 NO20366 [0,0,0,1,0,0|1,0,0]=2 138 B6R1.2 O=C1CCCC1 DY21085 [0,0,0,1,0,0|1,0,2]=4 139 B6R1.2 O=C1CCNC1 NO22412 [0,0,0,1,0,0|1,0,2]=4 140 B6R1.2 O=C1CCOC1 NO18178 [0,0,0,1,0,0|0,0,2]=3 141 B6R1.2 O=C1CCSC1 DY20305 [0,0,0,1,0,0|0,1,2]=4 142 B6R1.2 OC1CC=CC1 DY10342 [0,0,0,1,0,0|1,0,1]=3 143 B6R1.2 O[C@@H]1CCNC1 NO16635 [0,0,0,1,0,0|1,0,0]=2 144 B6R1.2 O[C@@H]1CCNC1 NO16650 [0,0,0,1,0,0|1,0,0]=2 145 B6R1.2 O[C@@H]1CCOC1 NO20284 [0,0,0,1,0,0|0,0,0]=1 146 B6R1.2 O[C@@H]1CNOC1 DY549543 [0,0,0,1,0,0|1,0,0]=2 147 B6R1.2 O[C@H]1CCNC1 NO21757 [0,0,0,1,0,0|1,0,0]=2 148 B6R1.2 S=C1NCCO1 DY561801 [0,0,0,1,0,0|2,0,1]=4 149 B6R1.2 SC1CCOC1 DY789441 [0,0,0,1,0,0|0,1,0]=2 150 B6R1.3 ICCC1CC1 DY549405 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.3 N#CCC1CC1 DY433947 [0,0,0,1,0,0|2,0,1]=4 152 B6R1.3 NNCC1CC1 DY509474 [0,0,0,1,0,0|3,0,0]=4 153 B6R1.3 NNCC1CC1 DY586553 [0,0,0,1,0,0|3,0,0]=4 154 B6R1.3 OCCN1CC1 DY505047 [0,0,0,1,0,0|1,0,0]=2 155 B6R1.4 CC1OCC1N DY732961 [0,0,0,1,0,0|1,0,0]=2 156 B6R1.4 C[C@@H]1NC[C@H]1O DY519399 [0,0,0,1,0,0|1,0,0]=2 157 B6R1.4 C[C@@H]1OC[C@H]1O DY515625 [0,0,0,1,0,0|0,0,0]=1 158 B6R1.4 O[C@H]1CC[C@H]1O DY756385 [0,0,0,1,0,0|2,0,0]=3 159 B6R1.6 BrCC1CCC1 DY10470 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.6 NCC1CCC1 DY554907 [0,0,0,1,0,0|2,0,0]=3 161 B6R1.6 NCC1CCC1 NO11178 [0,0,0,1,0,0|2,0,0]=3 162 B6R1.6 NCC1CCS1 DY585795 [0,0,0,1,0,0|1,1,0]=3 163 B6R1.6 NCC1CNC1 DY508838 [0,0,0,1,0,0|3,0,0]=4 164 B6R1.6 NCC1COC1 DY10517 [0,0,0,1,0,0|3,0,0]=4 165 B6R1.6 NNC1CCC1 DY527943 [0,0,0,1,0,0|3,0,0]=4 166 B6R1.6 OCC1CCO1 NO15009 [0,0,0,1,0,0|0,0,0]=1 167 B6R1.6 OCC1CNC1 NO12891 [0,0,0,1,0,0|2,0,0]=3 168 B6R1.6 OCC1COC1 NO14670 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.6 OC[C@@H]1CCN1 NO15230 [0,0,0,1,0,0|1,0,0]=2 170 B6R1.8 COC1CC1N DY503985 [0,0,0,1,0,0|3,0,0]=4 171 B6R1.8 N[C@@H]1C[C@H]1CO DY757435 [0,0,0,1,0,0|2,0,0]=3 172 B6R1.8 OCC1C[C@@H]1F DY102848 [0,0,0,1,0,0|2,0,0]=3 173 B3R0.1 CCNC DY822410 [2,0,0,0,0,0|1,0,0]=3 174 B3R0.1 CCNN DY563997 [2,0,0,0,0,0|2,0,0]=4 175 B3R0.1 CNOC NO13986 [2,0,0,0,0,0|1,0,0]=3 176 B3R0.1 CSCCl DY584302 [2,0,0,0,0,0|1,1,0]=4 177 B3R0.1 NCCBr NO14044 [2,0,0,0,0,0|2,0,0]=4 178 B3R0.1 NCCCl NO16188 [2,0,0,0,0,0|2,0,0]=4 179 B3R0.1 NCCF NO21564 [2,0,0,0,0,0|2,0,0]=4 180 B3R0.1 NCCN DY521541 [2,0,0,0,0,0|2,0,0]=4 181 B3R0.1 NCCN DY561063 [2,0,0,0,0,0|2,0,0]=4 182 B3R0.1 NCCN DY567273 [2,0,0,0,0,0|2,0,0]=4 183 B3R0.1 NCCS DY460548 [2,0,0,0,0,0|1,1,0]=4 184 B3R0.1 OCCF DY822289 [2,0,0,0,0,0|1,0,0]=3 185 B3R0.1 SCCS DY20652 [2,0,0,0,0,0|0,2,0]=4 186 B5R0.1 C=C(C)CCBr NO14513 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.1 CC(C)CC=O NO11530 [1,1,0,0,0,0|0,0,2]=4 188 B5R0.1 CC(C)CCBr DY460632 [1,1,0,0,0,0|1,0,0]=3 189 B5R0.1 CC(N)CCO NO22096 [1,1,0,0,0,0|0,0,0]=2 190 B5R0.1 CC(O)CON NO17735 [1,1,0,0,0,0|1,0,0]=3 191 B5R0.1 CCCB(O)O NO14802 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.1 CCCC(=O)[O-] DY822775 [1,1,0,0,0,0|0,0,2]=4 193 B5R0.1 CCCC(C)=O NO21731 [1,1,0,0,0,0|0,0,2]=4 194 B5R0.1 CCCC(C)O DY741013 [1,1,0,0,0,0|0,0,0]=2 195 B5R0.1 CCNC(C)=O DY564051 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.1 CCOC(C)=N DY500026 [1,1,0,0,0,0|0,0,1]=3 197 B5R0.1 CN(C)CCBr NO10949 [1,1,0,0,0,0|2,0,0]=4 198 B5R0.1 CN(C)CCCl NO14471 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.1 CN(C)CCN NO18603 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.1 CN(C)CCO NO11733 [1,1,0,0,0,0|1,0,0]=3 201 B5R0.1 CNCC(=O)O NO18595 [1,1,0,0,0,0|1,0,1]=4 202 B5R0.1 COCC(=N)N DY535605 [1,1,0,0,0,0|1,0,1]=4 203 B5R0.1 COCC(=O)O NO11579 [1,1,0,0,0,0|0,0,1]=3 204 B5R0.1 COCC(C)O NO20741 [1,1,0,0,0,0|0,0,0]=2 205 B5R0.1 COC[C@@H](C)O NO20249 [1,1,0,0,0,0|0,0,0]=2 206 B5R0.1 COC[C@H](C)N DY623421 [1,1,0,0,0,0|1,0,0]=3 207 B5R0.1 COC[C@H](C)O NO20309 [1,1,0,0,0,0|0,0,0]=2 208 B5R0.1 CSCC(=O)O DY543879 [1,1,0,0,0,0|0,1,1]=4 209 B5R0.1 C[C@@H](N)CCO NO14355 [1,1,0,0,0,0|0,0,0]=2 210 B5R0.1 C[C@H](N)CCO DY625189 [1,1,0,0,0,0|0,0,0]=2 211 B5R0.1 C[C@H](N)CCO NO14356 [1,1,0,0,0,0|0,0,0]=2 212 B5R0.1 C[C@H](O)CC#N DY625225 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.1 C\C=C\[C@H](C)O DY791877 [1,1,0,0,0,0|0,0,2]=4 214 B5R0.1 FCCC(F)F DY793407 [1,1,0,0,0,0|2,0,0]=4 215 B5R0.1 NCCC(=O)O NO13499 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.1 O=C(O)OCCl DY523719 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.1 PCCC(Cl)Cl DY527415 [1,1,0,0,0,0|2,0,0]=4 218 B5R0.3 C=C(CO)CO NO21689 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.3 C=CC(N)CO DY579231 [1,1,0,0,0,0|0,0,2]=4 220 B5R0.3 C=C[C@H](O)CO DY625759 [1,1,0,0,0,0|0,0,2]=4 221 B5R0.3 CCC(=O)OC DY460566 [1,1,0,0,0,0|1,0,1]=4 222 B5R0.3 CCC(Br)C#N DY789951 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.3 CCC(N)CO DY20718 [1,1,0,0,0,0|0,0,0]=2 224 B5R0.3 CCC(N)CO DY741331 [1,1,0,0,0,0|0,0,0]=2 225 B5R0.3 CCC(O)CN DY519471 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.3 CCC(O)CO DY822703 [1,1,0,0,0,0|0,0,0]=2 227 B5R0.3 CCN(O)CC DY551655 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.3 CC[C@@H](N)CO NO15119 [1,1,0,0,0,0|0,0,0]=2 229 B5R0.3 CC[C@H](C)C#N DY822231 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.3 CC[C@H](N)CO DY10528 [1,1,0,0,0,0|0,0,0]=2 231 B5R0.3 CC[C@H](O)CO NO15622 [1,1,0,0,0,0|0,0,0]=2 232 B5R0.3 COC(=O)CF DY822286 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.3 COC(=O)CN NO15045 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.3 COC(=O)CO NO19433 [1,1,0,0,0,0|0,0,1]=3 235 B5R0.3 COC(=O)CS DY20578 [1,1,0,0,0,0|0,1,1]=4 236 B5R0.3 CO[C@H](C)CN DY622119 [1,1,0,0,0,0|1,0,0]=3 237 B5R0.3 CO[C@H](C)CN NO17733 [1,1,0,0,0,0|1,0,0]=3 238 B5R0.3 CO[C@H](C)CO NO12306 [1,1,0,0,0,0|0,0,0]=2 239 B5R0.3 NC(CO)CO NO18352 [1,1,0,0,0,0|1,0,0]=3 240 B5R0.3 NCC(O)CN NO14232 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.3 NCC(O)CO NO18397 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.3 NC[C@@H](O)CO NO14832 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.3 NC[C@H](O)CCl DY427329 [1,1,0,0,0,0|2,0,0]=4 244 B5R0.3 NC[C@H](O)CO DY20311 [1,1,0,0,0,0|1,0,0]=3 245 B5R0.3 O=C(CO)CO NO11245 [1,1,0,0,0,0|1,0,1]=4 246 B5R0.3 OC[C@@H](O)CCl NO15061 [1,1,0,0,0,0|1,0,0]=3 247 B5R0.3 OC[C@H](O)CCl DY20314 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.2 CC(=O)OC(Br)CBr DY793431 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.2 CC(C)C[C@@H](N)CO NO14853 [0,2,0,0,0,0|1,0,0]=3 250 B7R0.2 CC(C)C[C@H](N)CO NO19307 [0,2,0,0,0,0|1,0,0]=3 251 B7R0.2 CC(C)OC(=O)CO NO11522 [0,2,0,0,0,0|0,0,1]=3 252 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [0,2,0,0,0,0|1,0,1]=4 253 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [0,2,0,0,0,0|1,0,1]=4 254 B7R0.2 CN(C)CC(N)CO DY533205 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.2 CN(C)CC(O)CO NO15349 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.2 COC(=O)C[C@H](C)O DY559029 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.3 C#CCC[C@H](N)CO DY516333 [0,2,0,0,0,0|1,0,1]=4 259 B7R0.3 CCCCC(O)CO DY567525 [0,2,0,0,0,0|1,0,0]=3 260 B7R0.3 CCCOC(C)CN DY605531 [0,2,0,0,0,0|1,0,0]=3 261 B7R0.3 CCN(C)CCCO DY604490 [0,2,0,0,0,0|1,0,0]=3 262 B7R0.3 NCC(Cl)CCCCl DY822547 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.5 CC(C)N(C)CCN DY604213 [0,2,0,0,0,0|2,0,0]=4 264 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [0,2,0,0,0,0|1,0,1]=4 265 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.5 CCOC(=O)C(Br)Br DY584292 [0,2,0,0,0,0|1,0,1]=4 267 B7R0.5 CCOC(=O)C(C)C NO11388 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.5 CCOC(=O)C(C)N DY628935 [0,2,0,0,0,0|1,0,1]=4 269 B7R0.5 CCOC(=O)C(F)F NO11385 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.5 CCOC(=O)[C@@H](C)O NO20075 [0,2,0,0,0,0|0,0,1]=3 271 B7R0.5 CN(C)C(=O)CCO DY606315 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.7 CCOC(=O)CC=O DY586084 [0,2,0,0,0,0|0,0,2]=4 273 B7R0.7 CCOC(=O)CCN NO14330 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.7 CCOC(=O)CNC NO17068 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.7 CCOC(=O)CNN NO19987 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.7 CCOC(=O)COC NO11389 [0,2,0,0,0,0|0,0,1]=3 277 B7R0.7 COCC(N)COC NO21215 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.7 O=C(CCCl)CCCl NO19912 [0,2,0,0,0,0|2,0,0]=4 279 B7R0.10 CC[C@H](C)[C@H](N)CO NO18903 [0,2,0,0,0,0|1,0,0]=3 280 B7R0.10 COC(=O)C(F)CO NO17081 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.10 COC(=O)C(N)CO NO16785 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.10 COC(=O)[C@@H](N)CO DY700116 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.10 COC(=O)[C@@H](N)CO NO22621 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.10 COC(=O)[C@@H](O)CO DY429048 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.10 COC(=O)[C@H](N)CO NO16778 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.11 C[N+](C)(CF)CCO DY795621 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.12 CCN(CC)CCBr DY504939 [0,2,0,0,0,0|2,0,0]=4 288 B7R0.12 CCN(CC)CCN DY21046 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.12 CCOC(CC)CN DY605537 [0,2,0,0,0,0|1,0,0]=3 290 B7R0.4 CC(=O)CCCCBr NO10627 [0,2,0,0,0,0|2,0,0]=4 291 B7R0.4 CC(C)OCCCN DY546693 [0,2,0,0,0,0|1,0,0]=3 292 B7R0.4 CC(O)COCCN DY560097 [0,2,0,0,0,0|0,0,0]=2 293 B7R0.4 CCCCCB(O)O NO22305 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.4 CCCCCC(=O)Cl DY822275 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.4 CCCCCC(C)O NO21570 [0,2,0,0,0,0|1,0,0]=3 296 B7R0.4 CCCOCC(=O)O DY425744 [0,2,0,0,0,0|0,0,1]=3 297 B7R0.4 CCO\C=C\C(=O)O NO22271 [0,2,0,0,0,0|0,0,2]=4 298 B7R0.4 CN(C)CCCCCl DY551337 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.4 CN(C)CCCCO NO22813 [0,2,0,0,0,0|1,0,0]=3 300 B7R0.4 CNCCCC(=O)O DY702793 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.6 CC(Br)CCC(C)Br DY793473 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.6 C[C@@H](O)CC[C@@H](C)O DY459360 [0,2,0,0,0,0|1,0,0]=3 303 B7R0.8 CC(C)(C)OCCO DY570549 [0,2,0,0,0,0|0,0,0]=2 304 B7R0.8 CC(C)(C)SCCN DY796767 [0,2,0,0,0,0|1,1,0]=4 305 B7R0.8 CNCCC(C)(C)O DY603812 [0,2,0,0,0,0|2,0,0]=4 306 B7R0.8 FC(F)(F)OCCI DY503241 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.8 NCCOC(F)(F)F DY548919 [0,2,0,0,0,0|2,0,0]=4 308 B7R0.8 OCCCC(F)(F)F DY20741 [0,2,0,0,0,0|2,0,0]=4 309 B7R0.1 BrCCCCCCBr NO20550 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.1 C#CCCCCCC DY740767 [0,2,0,0,0,0|2,0,0]=4 311 B7R0.1 C#CCCCCCO NO10705 [0,2,0,0,0,0|1,0,0]=3 312 B7R0.1 C=CCCCCCBr NO19607 [0,2,0,0,0,0|2,0,0]=4 313 B7R0.1 CCCOCCCN DY740653 [0,2,0,0,0,0|1,0,0]=3 314 B7R0.1 COCCOCCBr DY559431 [0,2,0,0,0,0|0,0,0]=2 315 B7R0.1 COCCOCCCl DY740401 [0,2,0,0,0,0|0,0,0]=2 316 B7R0.1 ClCCCCCCI DY550149 [0,2,0,0,0,0|2,0,0]=4 317 B7R0.1 FCCCCCCF DY822301 [0,2,0,0,0,0|2,0,0]=4 318 B7R0.1 N#CCCSCCO DY791895 [0,2,0,0,0,0|0,1,0]=3 319 B7R0.1 NCCCCCCN DY740617 [0,2,0,0,0,0|2,0,0]=4 320 B7R0.1 NCCCNCCBr NO13982 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.1 NCCSSCCN DY557499 [0,2,0,0,0,0|1,1,0]=4 322 B7R0.1 NCCSSCCN NO11190 [0,2,0,0,0,0|1,1,0]=4 323 B7R0.1 NCC[Se][Se]CCN DY435603 [0,2,0,0,0,0|1,1,0]=4 324 B7R0.1 OCCCCCCBr NO14335 [0,2,0,0,0,0|1,0,0]=3 325 B7R0.1 OCCCCCCF DY822293 [0,2,0,0,0,0|1,0,0]=3 326 B7R0.1 OCCOCCCCl DY740305 [0,2,0,0,0,0|0,0,0]=2 327 B7R0.1 SCCCCCCS DY741367 [0,2,0,0,0,0|1,1,0]=4 328 B5R1.1 C1=NCCO1 DY793809 [1,0,0,1,0,0|1,0,1]=4 329 B5R1.1 C1CNNC1 NO16750 [1,0,0,1,0,0|2,0,0]=4 330 B5R1.1 C1COCO1 DY822673 [1,0,0,1,0,0|0,0,0]=2 331 B5R1.2 BrC1COC1 DY425330 [1,0,0,1,0,0|1,0,0]=3 332 B5R1.2 C=C1COC1 DY584212 [1,0,0,1,0,0|1,0,1]=4 333 B5R1.2 CC1CNC1 NO13089 [1,0,0,1,0,0|2,0,0]=4 334 B5R1.2 C[C@H]1CCN1 DY625021 [1,0,0,1,0,0|1,0,0]=3 335 B5R1.2 ClC1CCC1 DY756391 [1,0,0,1,0,0|1,0,0]=3 336 B5R1.2 ClC1CNC1 DY586642 [1,0,0,1,0,0|2,0,0]=4 337 B5R1.2 FC1CNC1 NO22297 [1,0,0,1,0,0|2,0,0]=4 338 B5R1.2 IC1CNC1 DY444286 [1,0,0,1,0,0|2,0,0]=4 339 B5R1.2 IC1COC1 DY10503 [1,0,0,1,0,0|1,0,0]=3 340 B5R1.2 NC1COC1 NO22388 [1,0,0,1,0,0|1,0,0]=3 341 B5R1.2 O=C1CCC1 DY10479 [1,0,0,1,0,0|0,0,2]=4 342 B5R1.2 O=C1CCO1 DY561045 [1,0,0,1,0,0|0,0,2]=4 343 B5R1.2 O=C1COC1 NO22391 [1,0,0,1,0,0|0,0,2]=4 344 B5R1.2 OC1CCC1 NO11176 [1,0,0,1,0,0|0,0,0]=2 345 B5R1.2 OC1CNC1 NO14687 [1,0,0,1,0,0|1,0,0]=3 346 B5R1.2 OC1COC1 NO19329 [1,0,0,1,0,0|0,0,0]=2 347 B5R1.3 BrCC1CC1 DY10481 [1,0,0,1,0,0|1,0,0]=3 348 B5R1.3 BrCC1CO1 DY822350 [1,0,0,1,0,0|1,0,0]=3 349 B5R1.3 BrC[C@H]1CO1 DY822260 [1,0,0,1,0,0|1,0,0]=3 350 B5R1.3 CC[C@H]1CO1 DY20699 [1,0,0,1,0,0|0,0,0]=2 351 B5R1.3 CNC1CC1 NO13160 [1,0,0,1,0,0|2,0,0]=4 352 B5R1.3 ClCC1CC1 NO19956 [1,0,0,1,0,0|1,0,0]=3 353 B5R1.3 ClC[C@@H]1CO1 DY20322 [1,0,0,1,0,0|1,0,0]=3 354 B5R1.3 ClC[C@H]1CO1 DY557877 [1,0,0,1,0,0|1,0,0]=3 355 B5R1.3 NCC1CC1 NO18907 [1,0,0,1,0,0|1,0,0]=3 356 B5R1.3 NNC1CC1 NO15677 [1,0,0,1,0,0|2,0,0]=4 357 B5R1.3 NNC1CC1 NO18095 [1,0,0,1,0,0|2,0,0]=4 358 B5R1.3 OCC1CC1 NO19620 [1,0,0,1,0,0|0,0,0]=2 359 B5R1.4 N[C@@H]1C[C@@H]1F DY620136 [1,0,0,1,0,0|2,0,0]=4 360 B5R1.4 N[C@@H]1C[C@H]1N DY586552 [1,0,0,1,0,0|2,0,0]=4 361 B5R1.4 N[C@H]1C[C@@H]1F DY758461 [1,0,0,1,0,0|2,0,0]=4 362 B5R1.4 N[C@H]1C[C@@H]1N DY586558 [1,0,0,1,0,0|2,0,0]=4 363 B5R1.4 N[C@H]1C[C@H]1N DY586550 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.1 BrCC1CCCC1 DY20145 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.1 BrCC1OCCO1 NO21401 [0,1,0,1,0,0|0,0,0]=2 366 B7R1.1 C#CC1CCCC1 DY822738 [0,1,0,1,0,0|2,0,0]=4 367 B7R1.1 C#CC1CCCO1 DY586043 [0,1,0,1,0,0|1,0,1]=4 368 B7R1.1 C#CC1CCOC1 DY103679 [0,1,0,1,0,0|1,0,0]=3 369 B7R1.1 CCC1CCCN1 DY738230 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.1 CCC1CCNC1 DY585732 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.1 CNC1CCCC1 DY757231 [0,1,0,1,0,0|2,0,0]=4 372 B7R1.1 CNC1CCOC1 DY579885 [0,1,0,1,0,0|1,0,0]=3 373 B7R1.1 CN[C@@H]1CCOC1 DY104966 [0,1,0,1,0,0|1,0,0]=3 374 B7R1.1 COC1CCCC1 DY459258 [0,1,0,1,0,0|1,0,0]=3 375 B7R1.1 COC1CCNC1 NO22350 [0,1,0,1,0,0|1,0,0]=3 376 B7R1.1 CO[C@@H]1CCNC1 NO12137 [0,1,0,1,0,0|1,0,0]=3 377 B7R1.1 CO[C@H]1CCNC1 DY510861 [0,1,0,1,0,0|1,0,0]=3 378 B7R1.1 CO[C@H]1CCNC1 NO12136 [0,1,0,1,0,0|1,0,0]=3 379 B7R1.1 FC[C@@H]1CCCN1 DY100102 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.1 N#C[C@H]1CCNC1 DY508184 [0,1,0,1,0,0|2,0,0]=4 381 B7R1.1 NCC1CCCC1 NO14873 [0,1,0,1,0,0|2,0,0]=4 382 B7R1.1 NCC1CCCN1 NO15469 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.1 NC[C@H]1CCCN1 NO15745 [0,1,0,1,0,0|2,0,0]=4 384 B7R1.1 NC[C@H]1CCOC1 DY102307 [0,1,0,1,0,0|1,0,0]=3 385 B7R1.1 NNC1CCCC1 DY543699 [0,1,0,1,0,0|2,0,0]=4 386 B7R1.1 O=CC1CCCC1 DY21048 [0,1,0,1,0,0|1,0,1]=4 387 B7R1.1 OCC1CC=CC1 NO20734 [0,1,0,1,0,0|1,0,1]=4 388 B7R1.1 OCC1CCCC1 NO11185 [0,1,0,1,0,0|1,0,0]=3 389 B7R1.1 OCC1CCCN1 DY556821 [0,1,0,1,0,0|1,0,0]=3 390 B7R1.1 OCC1CCCN1 DY668415 [0,1,0,1,0,0|1,0,0]=3 391 B7R1.1 OCC1CCCO1 DY20392 [0,1,0,1,0,0|0,0,0]=2 392 B7R1.1 OCC1CCNC1 NO11284 [0,1,0,1,0,0|1,0,0]=3 393 B7R1.1 OCC1CCNC1 NO16764 [0,1,0,1,0,0|1,0,0]=3 394 B7R1.1 OCC1CCNC1 NO18341 [0,1,0,1,0,0|1,0,0]=3 395 B7R1.1 OC[C@@H]1CCCN1 NO22640 [0,1,0,1,0,0|1,0,0]=3 396 B7R1.1 OC[C@@H]1CCNC1 DY115660 [0,1,0,1,0,0|1,0,0]=3 397 B7R1.1 OC[C@H]1CCCN1 NO17003 [0,1,0,1,0,0|1,0,0]=3 398 B7R1.1 OC[C@H]1CCCO1 DY542355 [0,1,0,1,0,0|0,0,0]=2 399 B7R1.2 CC1CCC(C)N1 DY585723 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.2 CN1CC[C@@H](N)C1 DY626972 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.2 CN1CC[C@@H](O)C1 DY20690 [0,1,0,1,0,0|1,0,0]=3 402 B7R1.2 CN1CC[C@H](Cl)C1 DY625207 [0,1,0,1,0,0|2,0,0]=4 403 B7R1.2 CN1CC[C@H](N)C1 DY623927 [0,1,0,1,0,0|2,0,0]=4 404 B7R1.2 C[C@@H]1CC[C@@H](C)N1 DY102818 [0,1,0,1,0,0|2,0,0]=4 405 B7R1.2 C[C@@H]1C[C@@H](O)CN1 DY621044 [0,1,0,1,0,0|1,0,0]=3 406 B7R1.2 NC1CCC(O)C1 NO14798 [0,1,0,1,0,0|1,0,0]=3 407 B7R1.2 N[C@@H]1CC[C@@H](F)C1 DY519405 [0,1,0,1,0,0|2,0,0]=4 408 B7R1.2 N[C@@H]1CC[C@@H](O)C1 NO12946 [0,1,0,1,0,0|1,0,0]=3 409 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.2 N[C@H]1CC[C@@H](F)C1 DY757213 [0,1,0,1,0,0|2,0,0]=4 411 B7R1.2 N[C@H]1CC[C@@H](O)C1 NO15869 [0,1,0,1,0,0|1,0,0]=3 412 B7R1.2 N[C@H]1CC[C@H](O)C1 DY620382 [0,1,0,1,0,0|1,0,0]=3 413 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [0,1,0,1,0,0|1,0,1]=4 414 B7R1.2 O=C1CC(O)CN1 NO14706 [0,1,0,1,0,0|1,0,1]=4 415 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [0,1,0,1,0,0|0,0,1]=3 416 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [0,1,0,1,0,0|1,0,1]=4 417 B7R1.2 O[C@@H]1C=C[C@H](O)C1 DY547017 [0,1,0,1,0,0|1,0,1]=4 418 B7R1.3 BrC1=CCOCC1 DY543735 [0,1,0,1,0,0|1,0,1]=4 419 B7R1.3 BrC1CCCCC1 NO11079 [0,1,0,1,0,0|2,0,0]=4 420 B7R1.3 BrC1CCNCC1 NO18356 [0,1,0,1,0,0|2,0,0]=4 421 B7R1.3 BrC1CCOCC1 NO18193 [0,1,0,1,0,0|1,0,0]=3 422 B7R1.3 CC1C=CCCO1 DY560079 [0,1,0,1,0,0|1,0,0]=3 423 B7R1.3 CC1CCCCN1 DY20418 [0,1,0,1,0,0|2,0,0]=4 424 B7R1.3 CC1CNCCN1 NO13503 [0,1,0,1,0,0|2,0,0]=4 425 B7R1.3 CC1CNCCO1 NO21692 [0,1,0,1,0,0|1,0,0]=3 426 B7R1.3 CC1COCCN1 NO22371 [0,1,0,1,0,0|1,0,0]=3 427 B7R1.3 CN1CCNCC1 DY20458 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.3 C[C@@H]1CCCNC1 NO16133 [0,1,0,1,0,0|2,0,0]=4 429 B7R1.3 C[C@@H]1CNCCN1 DY622137 [0,1,0,1,0,0|2,0,0]=4 430 B7R1.3 C[C@@H]1CNCCN1 NO17164 [0,1,0,1,0,0|2,0,0]=4 431 B7R1.3 C[C@@H]1CNCCO1 NO14521 [0,1,0,1,0,0|1,0,0]=3 432 B7R1.3 C[C@@H]1COCCN1 NO14856 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.3 C[C@@H]1COCCN1 NO20285 [0,1,0,1,0,0|1,0,0]=3 434 B7R1.3 C[C@H]1CNCCN1 NO17167 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.3 C[C@H]1CNCCO1 NO14515 [0,1,0,1,0,0|1,0,0]=3 436 B7R1.3 C[C@H]1CNCCO1 NO19299 [0,1,0,1,0,0|1,0,0]=3 437 B7R1.3 C[C@H]1COCCN1 DY20820 [0,1,0,1,0,0|1,0,0]=3 438 B7R1.3 C[C@H]1COCCN1 NO22413 [0,1,0,1,0,0|1,0,0]=3 439 B7R1.3 ClC1CCCOC1 DY586426 [0,1,0,1,0,0|1,0,0]=3 440 B7R1.3 FC1CCNCC1 NO22845 [0,1,0,1,0,0|2,0,0]=4 441 B7R1.3 IC1CCNCC1 DY638708 [0,1,0,1,0,0|2,0,0]=4 442 B7R1.3 IC1CCOCC1 NO18194 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.3 NC1CCCNC1 NO22655 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.3 NC1CCOCC1 NO16997 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.3 NC1CCSCC1 DY541371 [0,1,0,1,0,0|1,1,0]=4 446 B7R1.3 N[C@@H]1CCCNC1 NO17178 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.3 N[C@@H]1CCCOC1 DY517515 [0,1,0,1,0,0|1,0,0]=3 448 B7R1.3 N[C@H]1CCCNC1 NO17182 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.3 O=C1CCCCO1 NO11208 [0,1,0,1,0,0|1,0,1]=4 450 B7R1.3 O=C1CCOCC1 NO13380 [0,1,0,1,0,0|0,0,1]=3 451 B7R1.3 O=C1CCSCC1 NO18797 [0,1,0,1,0,0|0,1,1]=4 452 B7R1.3 O=C1COCCN1 NO11697 [0,1,0,1,0,0|0,0,2]=4 453 B7R1.3 O=C1COCCO1 DY20725 [0,1,0,1,0,0|0,0,1]=3 454 B7R1.3 O=S1CCCCC1 DY822282 [0,1,0,1,0,0|1,0,1]=4 455 B7R1.3 O=S1CCNCC1 DY570699 [0,1,0,1,0,0|1,0,1]=4 456 B7R1.3 OC1C=CCNC1 DY552951 [0,1,0,1,0,0|1,0,1]=4 457 B7R1.3 OC1CCCNC1 NO22642 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.3 OC1CCCOC1 NO17782 [0,1,0,1,0,0|0,0,0]=2 459 B7R1.3 OC1CCNCC1 NO22643 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.3 OC1CCOCC1 NO13929 [0,1,0,1,0,0|0,0,0]=2 461 B7R1.3 OC1CCSCC1 NO12012 [0,1,0,1,0,0|0,1,0]=3 462 B7R1.3 O[C@@H]1CCCNC1 NO17016 [0,1,0,1,0,0|1,0,0]=3 463 B7R1.3 O[C@H]1CCCNC1 NO17020 [0,1,0,1,0,0|1,0,0]=3 464 B7R1.3 S=C1COCCN1 DY732685 [0,1,0,1,0,0|0,1,1]=4 465 B7R1.3 SC1CCOCC1 DY107026 [0,1,0,1,0,0|0,1,0]=3 466 B7R1.4 BrC1CCCC1Br DY585689 [0,1,0,1,0,0|2,0,0]=4 467 B7R1.4 CC1CCCC1O DY757267 [0,1,0,1,0,0|1,0,0]=3 468 B7R1.4 CC1CCOC1=O DY759320 [0,1,0,1,0,0|1,0,1]=4 469 B7R1.4 CC1OCCC1=O NO14135 [0,1,0,1,0,0|0,0,1]=3 470 B7R1.4 NC1CCCC1O NO19404 [0,1,0,1,0,0|1,0,0]=3 471 B7R1.4 N[C@@H]1CCC[C@@H]1O NO18884 [0,1,0,1,0,0|1,0,0]=3 472 B7R1.4 N[C@@H]1CCC[C@H]1O DY567117 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.4 N[C@@H]1CCOC1=O NO18578 [0,1,0,1,0,0|1,0,1]=4 474 B7R1.4 N[C@@H]1CNC[C@H]1F DY585432 [0,1,0,1,0,0|2,0,0]=4 475 B7R1.4 N[C@@H]1COC[C@@H]1F DY539427 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.4 N[C@@H]1COC[C@H]1N DY444023 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.4 N[C@@H]1COC[C@H]1O DY105386 [0,1,0,1,0,0|0,0,0]=2 478 B7R1.4 N[C@@H]1CSC[C@H]1O DY559281 [0,1,0,1,0,0|0,1,0]=3 479 B7R1.4 N[C@H]1CCC[C@@H]1N DY620340 [0,1,0,1,0,0|2,0,0]=4 480 B7R1.4 N[C@H]1CCC[C@@H]1O NO15594 [0,1,0,1,0,0|1,0,0]=3 481 B7R1.4 N[C@H]1CCC[C@H]1O NO11147 [0,1,0,1,0,0|1,0,0]=3 482 B7R1.4 N[C@H]1CCOC1=O DY541269 [0,1,0,1,0,0|1,0,1]=4 483 B7R1.4 N[C@H]1COC[C@@H]1O DY586645 [0,1,0,1,0,0|0,0,0]=2 484 B7R1.4 O=C1NCCC1O DY444274 [0,1,0,1,0,0|1,0,1]=4 485 B7R1.4 O=C1NCC[C@@H]1O NO19486 [0,1,0,1,0,0|1,0,1]=4 486 B7R1.4 O=C1NCC[C@H]1O DY115910 [0,1,0,1,0,0|1,0,1]=4 487 B7R1.4 O[C@@H]1CCC[C@H]1F DY518337 [0,1,0,1,0,0|1,0,0]=3 488 B7R1.4 O[C@@H]1CCC[C@H]1O DY557241 [0,1,0,1,0,0|1,0,0]=3 489 B7R1.4 O[C@@H]1CNC[C@@H]1F DY586649 [0,1,0,1,0,0|1,0,0]=3 490 B7R1.4 O[C@@H]1CNC[C@H]1F DY457961 [0,1,0,1,0,0|1,0,0]=3 491 B7R1.4 O[C@H]1CNC[C@@H]1O NO20186 [0,1,0,1,0,0|1,0,0]=3 492 B7R1.5 C=C1CC1CCO DY790953 [0,1,0,1,0,0|1,0,1]=4 493 B7R1.5 C[C@@H]1C[C@@H]1CCO DY544215 [0,1,0,1,0,0|1,0,0]=3 494 B7R1.6 CCOC1CNC1 DY577479 [0,1,0,1,0,0|1,0,0]=3 495 B7R1.6 OCCC1CCO1 DY551169 [0,1,0,1,0,0|0,0,0]=2 496 B7R1.8 CN1CCC1CN DY104666 [0,1,0,1,0,0|2,0,0]=4 497 B7R1.8 NCC1CCC1F DY528009 [0,1,0,1,0,0|2,0,0]=4 498 B7R1.9 C#C[C@@H]1C[C@H]1CO DY586040 [0,1,0,1,0,0|1,0,1]=4 499 B7R1.9 N#CC1CC1CO DY757663 [0,1,0,1,0,0|1,0,1]=4 500 B7R1.9 NCC1CC1CO DY528789 [0,1,0,1,0,0|1,0,0]=3 501 B7R1.9 OC[C@H]1C[C@H]1CO DY543213 [0,1,0,1,0,0|1,0,0]=3 502 B7R1.10 CN[C@H]1C[C@H](O)C1 DY522027 [0,1,0,1,0,0|2,0,0]=4 503 B7R1.10 CSC1CC(O)C1 DY536265 [0,1,0,1,0,0|2,0,0]=4 504 B7R1.10 NC[C@H]1C[C@H](O)C1 DY101929 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.21 CCOC1(O)CC1 NO16017 [0,1,0,1,0,0|1,0,0]=3 506 B7R1.21 NCCC1(O)CC1 DY576975 [0,1,0,1,0,0|2,0,0]=4 507 B7R1.21 OCCC1(F)CC1 DY585233 [0,1,0,1,0,0|1,0,0]=3 508 B7R1.22 CCC(=O)C1CC1 DY566457 [0,1,0,1,0,0|2,0,0]=4 509 B7R1.22 CC[C@H](N)C1CC1 DY585988 [0,1,0,1,0,0|2,0,0]=4 510 B7R1.22 NCC(O)C1CC1 DY608201 [0,1,0,1,0,0|2,0,0]=4 511 B7R1.22 NC[C@H](O)C1CC1 DY586263 [0,1,0,1,0,0|2,0,0]=4 512 B7R1.22 N[C@@H](CO)C1CC1 DY515775 [0,1,0,1,0,0|1,0,0]=3 513 B7R1.22 O=C(CO)C1CC1 DY758275 [0,1,0,1,0,0|1,0,1]=4 514 B7R1.25 CC1(CO)COC1 NO16968 [0,1,0,1,0,0|2,0,0]=4 515 B7R1.25 NCC1(F)CCC1 DY577221 [0,1,0,1,0,0|2,0,0]=4 516 B7R1.25 NCC1(N)CCC1 NO17914 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.25 NCC1(O)CCC1 NO12835 [0,1,0,1,0,0|2,0,0]=4 518 B7R1.25 OCC1(F)CNC1 DY459035 [0,1,0,1,0,0|2,0,0]=4 519 B7R1.25 OCC1(O)CNC1 DY718774 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.27 CCC1(C)ON1C DY549645 [0,1,0,1,0,0|2,0,0]=4 521 B7R1.7 CCCC[C@H]1CO1 DY822259 [0,1,0,1,0,0|1,0,0]=3 522 B7R1.7 CCNCC1CC1 DY606135 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.7 CNCCC1CC1 DY758521 [0,1,0,1,0,0|2,0,0]=4 524 B7R1.7 N#CCCC1CC1 DY558495 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.7 OCCC[C@@H]1CO1 DY536067 [0,1,0,1,0,0|1,0,0]=3 526 B7R1.12 C[C@H]1C[C@H]1B(O)O DY705817 [0,1,0,1,0,0|2,0,0]=4 527 B7R1.14 CC1(Br)CCCC1 DY585925 [0,1,0,1,0,0|2,0,0]=4 528 B7R1.14 CC1(C)COCN1 DY557637 [0,1,0,1,0,0|2,0,0]=4 529 B7R1.14 CC1(C)NCCS1 NO22651 [0,1,0,1,0,0|1,1,0]=4 530 B7R1.14 CC1(C)OCCO1 DY822372 [0,1,0,1,0,0|0,0,0]=2 531 B7R1.14 CC1(N)CCCC1 DY502389 [0,1,0,1,0,0|2,0,0]=4 532 B7R1.14 CC1(O)CCCC1 NO20768 [0,1,0,1,0,0|1,0,0]=3 533 B7R1.14 FC1(F)CCNC1 NO16398 [0,1,0,1,0,0|2,0,0]=4 534 B7R1.18 CC(O)C1CCC1 NO20672 [0,1,0,1,0,0|1,0,0]=3 535 B7R1.18 C[C@@H](O)C1COC1 DY586622 [0,1,0,1,0,0|2,0,0]=4 536 B7R1.18 C[C@H](N)C1CCC1 DY586624 [0,1,0,1,0,0|2,0,0]=4 537 B7R1.18 C[C@H](O)C1COC1 DY586621 [0,1,0,1,0,0|2,0,0]=4 538 B7R1.18 O=C(O)C1CCC1 NO22786 [0,1,0,1,0,0|1,0,1]=4 539 B7R1.18 O=C(O)C1CCN1 NO18844 [0,1,0,1,0,0|1,0,1]=4 540 B7R1.18 O=C(O)[C@@H]1CCN1 DY718876 [0,1,0,1,0,0|1,0,1]=4 541 B7R1.18 O=C(O)[C@H]1CCN1 NO16493 [0,1,0,1,0,0|1,0,1]=4 542 B7R1.18 O=C(O)[C@H]1CCN1 NO16972 [0,1,0,1,0,0|1,0,1]=4 543 B7R1.18 OB(O)C1CCC1 NO12533 [0,1,0,1,0,0|2,0,0]=4 544 B7R1.23 CC1(C)CC1CN DY611072 [0,1,0,1,0,0|2,0,0]=4 545 B7R1.23 CC1(C)C[C@@H]1CN DY623445 [0,1,0,1,0,0|2,0,0]=4 546 B7R1.23 OCC1CC1(Cl)Cl DY559083 [0,1,0,1,0,0|2,0,0]=4 547 B7R1.24 C1CNCCOC1 NO17007 [0,1,0,1,0,0|1,0,0]=3 548 B7R2.8 NC1C2CC1C2 DY104372 [0,0,0,2,0,0|2,0,0]=4