0 B7R0.4 CC(C)CCCCBr C74820 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.4 CCCNCC(C)C AC1640 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 CN(C)CCCCCl W16936 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 C[C@H](Cl)CCCCCl A12620 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 C#CCOC(C)C 79308 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.4 CC(=O)CCC=O P17049 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.4 CC(C)CCC=O 31143 [1,0,0,0,0,0|0,0,0]=1 7 B6R0.4 CC(C)OCCBr 33996 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.4 CC(C)OCCN T71353 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 CCOC[C@H](C)N 75202 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 C[C@H](Cl)CCCCl A11066 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.6 C=COCCON 32359 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.6 CCOCCCBr A11082 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.5 CCC[C@H](C)CC(C)C F17729 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.7 CN(C)CCOCCO D77714 [0,1,0,0,0,0|1,0,2]=4 15 B8R0.9 CC(C)CC\C(N)=N/O W10718 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.28 CC(=O)NCCC(C)C S10520 [0,1,0,0,0,0|1,0,0]=2 17 B8R0.28 CC(=O)OCCC(=O)O C77559 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.28 CC(C)=CCCC(=O)O F16793 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.28 CC(C)CNCC(=O)O W10796 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.28 CC(C)OCOC(C)C D93413 [0,1,0,0,0,0|2,0,1]=4 21 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,0,0,1,0,0|0,0,2]=3 22 B8R1.4 CC1CC(N)CCO1 D78849 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.4 CC1CC(N)CCO1 P16002 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.4 CN1CCCC(=O)C1 S10664 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,0,0,1,0,0|1,0,0]=2 32 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.6 CCOC1CC(N)C1 P13631 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.6 CCO[C@H]1C[C@@H](N)C1 P13633 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.7 CC(C)[C@@H]1CCCN1 P15226 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.7 CC(C)[C@@H]1CCCN1 P15234 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.7 CC(C)[C@H]1CCNC1 P15823 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.7 CC(C)[C@H]1CCNC1 P17781 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.19 CC1(C)CCC[C@@H]1O D79630 [0,0,0,1,0,0|1,0,2]=4 46 B8R1.19 CC1(C)CCC[C@@H]1O D79631 [0,0,0,1,0,0|1,0,2]=4 47 B8R1.19 CC1(C)CCNC1=O 79628 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.19 CC1(C)CCNC1=S W12656 [0,0,0,1,0,0|1,1,0]=3 49 B8R1.19 CC1(C)CONC1=O D73557 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.19 CC1(C)OCCC1=O P18857 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.22 C[C@H]1CCCCNC1 72971 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.27 CNC[C@H]1CC1(C)C F20110 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.72 CC1(Br)CCOCC1 AC1905 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.72 CC1(N)CCOCC1 P16590 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.72 CC1(O)CCOCC1 69121 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.72 C[N+]1(C)CCOCC1 AB10337 [0,0,0,1,0,0|2,0,1]=4 57 B5R0.1 C=CC[C@H](C)O 71459 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.1 C=CC[C@H](C)O A12634 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.1 CCC[C@H](C)N P14575 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.1 CCC[C@H](C)N Y10887 [2,0,0,0,0,0|1,0,1]=4 61 B5R0.1 CN(C)CC=O D88083 [2,0,0,0,0,0|1,0,0]=3 62 B5R0.1 CN(C)CCO D93012 [2,0,0,0,0,0|1,0,0]=3 63 B5R0.1 COC[C@H](C)Br 78860 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.1 COC[C@H](C)N 25526 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.1 COC[C@H](C)N D95458 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.1 COC[C@H](C)N W17998 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.1 C[C@H](O)CCN 83616 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 C[C@H](O)CON O10313 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 C[S+](C)CCCl 77752 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.1 OCCC(F)F P18054 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.2 C#CCCC=O 89357 [2,0,0,0,0,0|0,0,2]=4 72 B5R0.2 C=CCCNC W16107 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.2 CCCCON 31644 [2,0,0,0,0,0|1,0,0]=3 74 B5R0.2 COCCCO D77912 [2,0,0,0,0,0|1,0,1]=4 75 B5R0.2 O=CCCCO 55817 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [1,1,0,0,0,0|1,0,0]=3 77 B7R0.2 CC(C)CN(C)N=O D93466 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.2 COC(C)CC(C)O 78061 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.5 CC(C)[C@@H](O)CCN 83602 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.6 CC(=O)NNC(C)C F19849 [1,1,0,0,0,0|2,0,0]=4 81 B7R0.6 CC(=O)ON=C(C)C F19954 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.6 CC(C)=CCC(=O)O 24307 [1,1,0,0,0,0|0,0,2]=4 83 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [1,1,0,0,0,0|1,0,0]=3 84 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [1,1,0,0,0,0|1,0,0]=3 85 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [1,1,0,0,0,0|1,0,0]=3 86 B7R0.6 C[S+](C)CCC(=O)O T70554 [1,1,0,0,0,0|1,0,0]=3 87 B7R0.8 CC(C)(O)CCCN 31824 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.8 CC(C)(O)CCCO AB7595 [1,1,0,0,0,0|0,0,2]=4 89 B7R0.8 C[Si](C)(C)CCON C14911 [1,1,0,0,0,0|1,1,0]=4 90 B7R0.1 C=CCCCCNC R10008 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.1 COCOCCC=O 32199 [1,1,0,0,0,0|2,0,0]=4 92 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [0,2,0,0,0,0|1,0,0]=3 93 B9R0.55 CC(=O)CCCOC(C)=O D74850 [0,2,0,0,0,0|1,0,1]=4 94 B9R0.55 CC(C)CCCCC(=O)O D95053 [0,2,0,0,0,0|1,0,0]=3 95 B9R0.7 CC(C)CNC(=O)C(=O)O W18577 [0,2,0,0,0,0|2,0,0]=4 96 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O 42863 [0,2,0,0,0,0|2,0,0]=4 97 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O E70211 [0,2,0,0,0,0|2,0,0]=4 98 B9R0.56 CC(=O)OCC[N+](C)(C)C C74167 [0,2,0,0,0,0|1,0,0]=3 99 B9R0.56 CC(=O)SCC[Si](C)(C)C 74845 [0,2,0,0,0,0|0,2,0]=4 100 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,1,0,0|1,0,0]=3 101 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,0,0,1,0,0|1,0,0]=3 102 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,0,0,1,0,0|1,0,0]=3 103 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.2 C[C@H]1CNC(=O)O1 90054 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.2 C[C@H]1COC(=O)N1 O10180 [1,0,0,1,0,0|1,0,0]=3 106 B7R1.2 C[C@H]1COC(=O)N1 W17357 [1,0,0,1,0,0|1,0,0]=3 107 B7R1.2 C[C@H]1COC(=O)O1 D77722 [1,0,0,1,0,0|1,0,0]=3 108 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.2 O=C1C[C@H](O)CO1 12464 [1,0,0,1,0,0|1,0,0]=3 114 B7R1.3 C[C@H]1CCCNC1 36405 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.3 SC1CCOCC1 AT12453 [1,0,0,1,0,0|1,0,1]=4 116 B7R1.7 C=CCC[C@H]1CO1 61994 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.7 OCCCC1CC1 F52480 [1,0,0,1,0,0|0,0,2]=4 118 B7R1.10 CC1CC(CN)C1 72944 [1,0,0,1,0,0|1,0,1]=4 119 B7R1.10 CNC1CC(C)C1 72947 [1,0,0,1,0,0|1,0,1]=4 120 B7R1.10 COC1CC(N)C1 37221 [1,0,0,1,0,0|1,0,1]=4 121 B7R1.10 COC1CC(O)C1 R10063 [1,0,0,1,0,0|1,0,1]=4 122 B7R1.10 CO[C@H]1C[C@@H](N)C1 39167 [1,0,0,1,0,0|1,0,1]=4 123 B7R1.10 CO[C@H]1C[C@H](N)C1 39168 [1,0,0,1,0,0|1,0,1]=4 124 B7R1.14 CC1(C)CCCN1 71736 [1,0,0,1,0,0|1,0,1]=4 125 B7R1.14 CC1(C)CCCN1 71895 [1,0,0,1,0,0|1,0,1]=4 126 B7R1.14 CC1(C)CCNC1 28371 [1,0,0,1,0,0|1,0,1]=4 127 B7R1.14 CC1(C)COCN1 FD10630 [1,0,0,1,0,0|1,0,1]=4 128 B7R1.14 C[C@]1(N)CCOC1 38927 [1,0,0,1,0,0|1,0,1]=4 129 B7R1.14 C[C@]1(O)CCOC1 69114 [1,0,0,1,0,0|1,0,1]=4 130 B7R1.17 CC1(C)CC[C@@H]1N AT10475 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.18 CC(C)C1CNC1 D79219 [1,0,0,1,0,0|1,0,1]=4 132 B7R1.18 C[C@H](O)C1COC1 P18451 [1,0,0,1,0,0|1,0,1]=4 133 B7R1.1 C=CC1CCCC1 T72385 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.1 O=CC1=CCCC1 26227 [1,0,0,1,0,0|1,0,1]=4 135 B7R1.4 CC1=CCOC1=O T72100 [1,0,0,1,0,0|0,0,2]=4 136 B7R1.4 CN1CCNC1=O 81682 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.4 NN1CCOC1=O S10190 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.4 N[C@H]1CCNC1=O 51276 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.4 N[C@H]1CCNC1=O 51277 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.4 N[C@H]1CCNC1=O 51278 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.4 N[C@H]1CCNC1=O F14678 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.4 N[C@H]1CCSC1=O O10218 [1,0,0,1,0,0|1,1,0]=4 143 B7R1.4 O=C1NCC[C@@H]1Br 78555 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.4 O=C1OCC[C@@H]1O F14291 [1,0,0,1,0,0|1,0,0]=3 145 B7R1.6 O=CCC1CCC1 55432 [1,0,0,1,0,0|1,0,0]=3 146 B7R1.6 O=CCC1COC1 CS2316 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.8 CO[C@H]1CCC1=O P17941 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.8 O=C1CC[C@@H]1CO P13853 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.34 CC1CC(=O)CC(C)N1 32785 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.38 CC1(C)CC(=O)NC1=O AB9146 [0,1,0,1,0,0|1,0,1]=4 152 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [0,1,0,1,0,0|1,0,0]=3 153 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.53 CC(=O)NC1CC(N)C1 P11362 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.53 CC(=O)NC1CC(N)C1 P18507 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.53 CC(=O)OC1CC(=O)C1 38846 [0,1,0,1,0,0|1,0,1]=4 157 B9R1.53 CC1CC(CC(=O)O)C1 D79064 [0,1,0,1,0,0|1,0,0]=3 158 B9R1.53 NC1CC(CC(=O)O)C1 38856 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 38857 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 38858 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.66 CC1(C)CCCC(=O)N1 W17371 [0,1,0,1,0,0|1,0,0]=3 162 B9R1.66 CC1(C)CNCC(=O)N1 C91375 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.2 CCN1CCNC(=O)C1 C76051 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.2 CCN1CCNC(=O)C1 F52612 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.2 N#C[C@H]1CCCC(=O)C1 C73416 [0,1,0,1,0,0|1,0,1]=4 167 B9R1.2 N#C[C@H]1CCNC(=O)C1 W16380 [0,1,0,1,0,0|1,0,1]=4 168 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [0,1,0,1,0,0|1,0,0]=3 169 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [0,1,0,1,0,0|1,0,0]=3 170 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,1,0,1,0,0|1,0,0]=3 171 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,1,0,1,0,0|1,0,0]=3 173 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.118 CC1(CO)CCOCC1 31610 [0,1,0,1,0,0|1,0,1]=4 176 B9R1.6 CC(C)N1CCOCC1 78587 [0,1,0,1,0,0|1,0,1]=4 177 B9R1.40 CC1(C)CCCNC1=O P19113 [0,1,0,1,0,0|1,0,0]=3 178 B9R1.40 CC1(C)CCCOC1=O 60202 [0,1,0,1,0,0|0,0,0]=2 179 B9R1.40 CC1(C)COCCC1=O P12769 [0,1,0,1,0,0|1,0,0]=3 180 B9R1.35 CC(=O)N1CC[C@H](N)C1 AT25019 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 AT19193 [0,1,0,1,0,0|1,0,0]=3 182 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 60171 [0,1,0,1,0,0|0,2,0]=4 183 B9R1.35 CN1CC[C@H](C(=O)O)C1 38443 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.35 CN1CC[C@H](C(=O)O)C1 P12609 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 W10212 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [0,1,0,1,0,0|2,0,0]=4 191 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [0,1,0,1,0,0|2,0,0]=4 192 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,1,0,1,0,0|1,0,0]=3 195 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,1,0,1,0,0|1,0,0]=3 196 B9R1.106 CC1(C)C(=O)CCC1=O C74976 [0,1,0,1,0,0|1,0,1]=4 197 B9R1.106 CC1(C)C(=O)NC[C@@H]1N P14863 [0,1,0,1,0,0|1,0,0]=3 198 B9R1.133 CC1(C)OC[C@@H](C=O)O1 30986 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.166 CC1(C)CN[C@@H]1C(=O)O P15974 [0,1,0,1,0,0|2,0,0]=4 200 B9R2.39 O=C1CC2CC1CN2 D84847 [0,0,0,2,0,0|2,0,0]=4 201 B9R2.39 O=C1NC2CCC1C2 W18193 [0,0,0,2,0,0|2,0,0]=4 202 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 86118 [0,0,0,2,0,0|2,0,0]=4 203 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 D96860 [0,0,0,2,0,0|2,0,0]=4 204 B9R2.109 O=C1CCCC2CC12 P10813 [0,0,0,2,0,0|1,0,0]=3 205 B9R2.5 O=C1CCCC12CC2 F51719 [0,0,0,2,0,0|1,0,0]=3 206 B9R2.5 O=C1NCCC12CC2 33676 [0,0,0,2,0,0|1,0,0]=3