0 B7R0.3 C#CC(=O)OCC=C PH008724 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 C(=C(/C)\CC)\CCO T295590 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.3 C=C(CC)CCCC CDS000215 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.3 C=CCOC(=O)C=C S459836 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.3 C=CCOC(=O)CBr PH008698 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.3 CC(CN)OCCO PH007420 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.3 CCCNC(=O)CCl OTV000047 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.3 CCCOC(=O)CBr PH011324 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.3 CCCOC(=O)CCl S431443 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.3 CCCOC(=O)CN PH019063 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.3 CNC(=O)OCCCl L163082 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.3 CNC(=O)OCCO S392650 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.3 COCCC(=O)NN CDS018970 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.3 NCC(Cl)CCCCl PH010492 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.3 NNC(=O)CCCO CDS001562 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.3 NNC(=O)OCCO S749680 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.1 C=C(CO)CCO T293814 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 CC/C=C(\C)/CC R289574 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 CC/C=C(\C)/CC R289582 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.1 CC/C=C(\C)/CO S888702 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.1 CCC(=O)COC CDS024044 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.1 CCC(=O)OCS PH000959 [1,0,0,0,0,0|1,1,0]=3 22 B6R0.1 CCNC(=O)CBr CBR01984 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 CCNC(=O)CCl TMT00299 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.1 CCOC(=O)NC PH010865 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.1 CCOC(=O)N[O-] S859273 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.1 CCOC(=S)S[TlH2] S828327 [1,0,0,0,0,0|2,1,0]=4 27 B6R0.1 CCSC(=N)NN R163066 [1,0,0,0,0,0|2,1,0]=4 28 B6R0.1 CCSC(=O)CC CDS001498 [1,0,0,0,0,0|1,1,0]=3 29 B6R0.1 N/C(=N\O)/CCO CBR01465 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.1 [Li]OC(=O)CCC S813958 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.4 C=C(Br)CCCO T297658 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 C=CCNC(=O)C EME00415 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 C=CCOC(=S)N PH008714 [1,0,0,0,0,0|1,1,1]=4 34 B6R0.4 CC(=O)NCCCl CDS001220 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.4 CC(=O)OCCS S363049 [1,0,0,0,0,0|0,1,0]=2 36 B6R0.4 CC(C)OCCN CDS000373 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 CCC#CC(=O)C CDS000006 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.4 CCCC=C(C)C S419117 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.4 CCCCC(=N)N PH017352 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.4 CCCCC(=S)N PH000512 [1,0,0,0,0,0|2,1,0]=4 41 B6R0.4 CCCNC(=N)N L254797 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 CCCSC(=O)C CDS000298 [1,0,0,0,0,0|1,1,0]=3 43 B6R0.4 CCNCC(=O)N S877379 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.4 CCNCC(=O)N S986194 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.4 CCSCC(=O)C S614262 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.4 NC(=O)CCCCl OTV000845 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.4 NC(=O)NCCCl CDS000493 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.4 O=C(O)CCCS CDS004545 [1,0,0,0,0,0|2,1,0]=4 49 B6R0.6 C=C=CCCCO CVT00100 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.6 CCCSCCO S408859 [1,0,0,0,0,0|1,1,1]=4 51 B6R0.6 CCSCCCO PH017932 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.6 NCCOCCN CDS000024 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.6 NCCSCCO S449539 [1,0,0,0,0,0|0,1,1]=3 54 B8R0.1 CCCCC(=O)CCC S456489 [0,1,0,0,0,0|3,0,0]=4 55 B8R0.1 CCCNC(=O)NCC S805858 [0,1,0,0,0,0|3,0,0]=4 56 B8R0.1 CCCNC(=O)OCC S361909 [0,1,0,0,0,0|3,0,0]=4 57 B8R0.1 CCOC(=O)NCCO S391980 [0,1,0,0,0,0|2,0,0]=3 58 B8R0.1 N#CCC(=O)NCCO S550701 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.3 CCCC(O)C(=O)CC PH008572 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.6 C=CC(=O)OCCCC S444715 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.6 CCCCCC(=O)NN S849049 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.6 CCCCNC(=O)CCl TMT00394 [0,1,0,0,0,0|3,0,0]=4 63 B8R0.6 CCCCOC(=O)CCl S431451 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.6 CCCCOC(=O)CS S436992 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.9 C=CC(=O)OCC(C)O S511951 [0,1,0,0,0,0|1,0,1]=3 66 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [0,1,0,0,0,0|3,0,0]=4 67 B8R0.9 CCC(=O)CCC(=O)O S574090 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.9 NCC(=O)NCC(=O)O S456829 [0,1,0,0,0,0|1,0,1]=3 69 B8R0.9 O=C(O)CNC(=O)CCl S451770 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.19 CCC(C)NC(=O)CCl OTV000953 [0,1,0,0,0,0|3,0,0]=4 71 B8R0.25 CC(C)(CN)NCCO R397776 [0,1,0,0,0,0|2,0,1]=4 72 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.1 O=C1CC(CN1)CO CDS002555 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.1 O=C1CCC(O1)CCl PH010125 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.1 O=C1OCC(O1)CCl S416657 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.2 CCC1=NOCCO1 PH016313 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.2 NCC1=CCCCC1 CBR00863 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.2 NCC1CCCCO1 CDS006458 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.2 NCC1CCCCO1 CDS006719 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.2 O=CC1=COCCO1 CDS007966 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.3 NC1CCC(=O)CC1 CDS009700 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.3 O=C1CCC(CC1)O T292184 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.5 CC1SCCNC1=O R305707 [0,0,0,1,0,0|2,1,0]=4 86 B8R1.5 NC1CCCNC1=O CDS020148 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.22 O=C1CCSCCN1 SYX00233 [0,0,0,1,0,0|2,1,0]=4 89 B8R1.22 O=C1CNCCCN1 CDS019453 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.38 NNC(=O)C1CCC1 CBR00212 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.40 NCC(=O)NC1CC1 CBR00910 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.50 CC1C(=O)COC1=O S839418 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.52 CC1(OCCO1)CBr T279145 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.52 CC1(OCCO1)CCl PH008256 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.52 CC1(OCCO1)CN CDS023337 [0,0,0,1,0,0|1,0,1]=3 96 B5R0.1 C=COC(=O)C S458201 [2,0,0,0,0,0|0,0,2]=4 97 B5R0.1 CC(=O)CCN OTV000740 [2,0,0,0,0,0|1,0,0]=3 98 B5R0.1 CCNC(=N)N PH018983 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.1 CCOC(=S)N PH003667 [2,0,0,0,0,0|0,1,0]=3 100 B5R0.1 CCOC(=S)[S-] R464988 [2,0,0,0,0,0|1,1,0]=4 101 B5R0.1 CCOC(=S)[S-] R533475 [2,0,0,0,0,0|1,1,0]=4 102 B5R0.1 CN(C)CCO S573124 [2,0,0,0,0,0|2,0,0]=4 103 B5R0.1 CNCC(=O)C CBR02406 [2,0,0,0,0,0|2,0,0]=4 104 B5R0.1 COCC(=O)N S371874 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.1 CONC(=O)N S802999 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.1 N=C(N)CCO PH014361 [2,0,0,0,0,0|1,0,0]=3 107 B5R0.1 NCCC(=O)N CDS000027 [2,0,0,0,0,0|1,0,0]=3 108 B5R0.2 C=CSCCO PH007226 [2,0,0,0,0,0|0,1,1]=4 109 B5R0.2 CCCOCC CDS000380 [2,0,0,0,0,0|1,0,1]=4 110 B5R0.2 CCOCCN CDS000379 [2,0,0,0,0,0|0,0,1]=3 111 B5R0.2 CCSCCO PH011451 [2,0,0,0,0,0|0,1,1]=4 112 B5R0.2 OC/C=C/CO PH000110 [2,0,0,0,0,0|1,0,1]=4 113 B5R0.3 CC(CN)CO CDS010871 [2,0,0,0,0,0|1,0,1]=4 114 B5R0.3 CCC(=O)CO R277614 [2,0,0,0,0,0|1,0,0]=3 115 B5R0.3 CCC(O)CN CDS000624 [2,0,0,0,0,0|0,0,2]=4 116 B5R0.3 CNC(=O)CCl OTV000964 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.3 CNC(=O)NN CDS019843 [2,0,0,0,0,0|2,0,0]=4 118 B7R0.2 CC(C)OC(=O)CS S593931 [1,1,0,0,0,0|1,0,0]=3 119 B7R0.2 CC(C)OC(=O)NF PH009513 [1,1,0,0,0,0|2,0,0]=4 120 B7R0.2 CCC(=O)OC(C)C CDS000574 [1,1,0,0,0,0|1,0,0]=3 121 B7R0.5 CCOC(=O)C(Br)Br PH011431 [1,1,0,0,0,0|1,0,0]=3 122 B7R0.5 CCOC(=O)C(C)N CDS015013 [1,1,0,0,0,0|0,0,0]=2 123 B7R0.5 CCOC(=O)N(C)C PH001938 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.5 CCOC(=O)N(C)N PH007944 [1,1,0,0,0,0|1,0,0]=3 125 B7R0.7 CCNC(=O)CC#N OTV000131 [1,1,0,0,0,0|1,0,1]=4 126 B7R0.7 CCOC(=O)CCI T255378 [1,1,0,0,0,0|1,0,0]=3 127 B7R0.7 CCOC(=O)CNC PH000310 [1,1,0,0,0,0|0,0,0]=2 128 B7R0.7 CCOC(=O)CNN CDS009912 [1,1,0,0,0,0|0,0,0]=2 129 B7R0.7 CCOC(=O)NNC PH007943 [1,1,0,0,0,0|1,0,0]=3 130 B7R0.7 CCOC(=O)NOC PH005154 [1,1,0,0,0,0|2,0,0]=4 131 B7R0.7 CCOC(C)CNC CBR01487 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.7 CCSC(=O)SCC S189634 [1,1,0,0,0,0|1,1,0]=4 133 B7R0.10 CCC(=O)C(O)CC CDS000463 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.10 [C@H](O)(CO)C(=O)CO R426385 [1,1,0,0,0,0|1,0,0]=3 135 B7R0.11 CCS(=O)(=O)CCO PH010969 [1,1,0,0,0,0|2,0,0]=4 136 B7R0.12 CCOC(CC)CN CBR01063 [1,1,0,0,0,0|1,0,1]=4 137 B7R0.4 C#CCOCC(=O)C S38874 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.4 C=CCCOC(=O)C S510343 [1,1,0,0,0,0|1,0,0]=3 139 B7R0.4 CC(=O)NCCCO OTV000276 [1,1,0,0,0,0|1,0,0]=3 140 B7R0.4 CC(=O)OCCCS S786683 [1,1,0,0,0,0|0,1,0]=3 141 B7R0.4 CC(C)OCCCO CBR02059 [1,1,0,0,0,0|1,0,1]=4 142 B7R0.4 CCC/C=C/C(=O)C CDS001219 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.4 CCC/C=C/C(=O)N PH008310 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.4 CCCCNC(=O)C CDS013581 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.4 COCCCC(=O)O CDS021485 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.4 CSCCOC(=O)C S375721 [1,1,0,0,0,0|0,1,0]=3 147 B7R0.4 NC(=O)CCCCO S441481 [1,1,0,0,0,0|1,0,0]=3 148 B7R0.4 NC(=O)COCCO S449792 [1,1,0,0,0,0|0,0,0]=2 149 B7R0.4 NCCOCC(=O)O T160229 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.6 C=C(C)COC(=O)N S352055 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.6 CC(=O)SCC(Cl)Cl S340472 [1,1,0,0,0,0|1,1,0]=4 152 B7R0.6 CC(C)COC(=O)N S362840 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.6 NC(=O)NCC(=O)O L100056 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.1 CCCOCCCN CDS000217 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.1 CNCCCCCO PH007838 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.1 CNCCNCCO S522449 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.1 COCC/C=C/CCl S359556 [1,1,0,0,0,0|2,0,0]=4 158 B7R0.1 COCCOCCN CDS022898 [1,1,0,0,0,0|0,0,1]=3 159 B7R0.1 NCCCNCCO S446831 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.1 NCCNCCCO CDS000635 [1,1,0,0,0,0|1,0,1]=4 161 B9R0.4 CC(=O)CC(=O)OCCCl PH003373 [0,2,0,0,0,0|2,0,0]=4 162 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [0,2,0,0,0,0|2,0,0]=4 163 B9R0.5 CCCCNC(=O)CNC CBR01986 [0,2,0,0,0,0|2,0,0]=4 164 B9R0.5 CCNC(=O)NCCCO S804738 [0,2,0,0,0,0|2,0,0]=4 165 B9R0.5 CCNC(=O)NCCOC S804746 [0,2,0,0,0,0|2,0,0]=4 166 B9R0.8 CCCOC(=O)C(C)CC CDS000542 [0,2,0,0,0,0|2,0,0]=4 167 B9R0.18 O=C(CCCO)NCCO PH008175 [0,2,0,0,0,0|2,0,0]=4 168 B9R0.18 O=C(NCCCl)OCCCl R416347 [0,2,0,0,0,0|2,0,0]=4 169 B9R0.48 NCCC(=O)NCC(=O)O S451169 [0,2,0,0,0,0|1,0,1]=4 170 B9R0.1 CC(C)CCOC(=O)CCl S431494 [0,2,0,0,0,0|2,0,0]=4 171 B9R0.1 CC(C)CCOC(=O)CS S570311 [0,2,0,0,0,0|2,0,0]=4 172 B9R0.1 NCC(=O)NCCC(=O)O S601128 [0,2,0,0,0,0|1,0,0]=3 173 B9R0.24 COC(=O)CNC(=O)CN R701602 [0,2,0,0,0,0|1,0,1]=4 174 B9R0.24 O=C(CCl)OCC(Br)CBr S556394 [0,2,0,0,0,0|2,0,0]=4 175 B9R0.46 COCCCNC(=O)CCl PH017216 [0,2,0,0,0,0|2,0,0]=4 176 B9R0.42 CC(NC(=O)CN)C(=O)O S362166 [0,2,0,0,0,0|1,0,1]=4 177 B9R0.42 CC(NC(=O)CN)C(=O)O S451851 [0,2,0,0,0,0|1,0,1]=4 178 B9R0.42 CCC(C)OC(=O)C(Cl)Cl PH008760 [0,2,0,0,0,0|2,0,0]=4 179 B7R1.2 CC1OC(=O)CS1 PH007278 [1,0,0,1,0,0|1,0,0]=3 180 B7R1.2 O=C1CC(CO1)O S672874 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.3 CC1=CCCNC1 PHB00292 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.3 CC1CNCCO1 CDS022716 [1,0,0,1,0,0|1,0,1]=4 184 B7R1.3 O=C1CCCNC1 CDS006090 [1,0,0,1,0,0|1,0,0]=3 185 B7R1.3 O=C1COCCN1 T160245 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.3 O=C1COCCO1 PH009771 [1,0,0,1,0,0|1,0,0]=3 187 B7R1.3 O=C1CSCCN1 PH010392 [1,0,0,1,0,0|2,0,0]=4 188 B7R1.3 O=C1NCCCO1 CBR00063 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.3 O=C1OCCCO1 S939668 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.4 NC1CCOC1=O CDS012715 [1,0,0,1,0,0|0,0,0]=2 191 B7R1.4 NC1CCSC1=O S784036 [1,0,0,1,0,0|0,1,0]=3 192 B7R1.4 NN1CCOC1=O S462624 [1,0,0,1,0,0|1,0,0]=3 193 B7R1.4 N[C@H]1CCNC1=O CDS010107 [1,0,0,1,0,0|1,0,0]=3 194 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.15 CC1NC(=O)C1C T173835 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.15 CC1NC(=O)C1C T173843 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.22 CCC(=O)C1CC1 CDS023679 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.22 NNC(=O)C1CC1 PH010669 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.22 O=C(CBr)C1CC1 TMT00623 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.12 CC1CC1C(=O)N EME00444 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.18 NC(=O)C1CCC1 S680745 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.20 CC(=O)CC1CC1 PH014420 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.24 C1CNCCOC1 CDS001609 [1,0,0,1,0,0|1,0,1]=4 204 B9R1.8 NNCC1COCCO1 CBR01545 [0,1,0,1,0,0|1,0,1]=4 205 B9R1.33 O=C1OCCN1CCO CDS013723 [0,1,0,1,0,0|2,0,0]=4 206 B9R1.49 CC1CNC(=O)CCN1 CBR01349 [0,1,0,1,0,0|2,0,0]=4 207 B9R1.50 O=C1CC=CCCOC1 T168858 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.69 C[C@H]1C[C@H](COC1=O)C T269239 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.134 CC1(OCCO1)CCN SYX00214 [0,1,0,1,0,0|1,0,1]=4 210 B9R1.134 CNCC1(OCCO1)C S935581 [0,1,0,1,0,0|1,0,1]=4 211 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.11 CCC(=O)C1CCOC1 CDS024301 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.11 NNC(=O)C1CCCO1 CDS015210 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.1 O=C1CCC(CC1)CO CDS017814 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.125 C[C@]1(CCC(=O)O1)CO T272442 [0,1,0,1,0,0|1,0,0]=3 216 B9R2.19 O=C1CCC2CC1O2 T173428 [0,0,0,2,0,0|2,0,0]=4