0 B8R1.1 CCC1CCC(C1)C R289752 [1,0,0,0,0,0|3,0,0]=4 1 B8R1.11 C#C[C@H]1CCC[C@@H]1O R238252 [1,0,0,0,0,0|2,0,1]=4 2 B8R1.11 CN1CCCC1CO CDS011078 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.11 NN[C@@H]1CCC[C@H]1O CBR01625 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.11 N[C@H]1CCC[C@H]1CO BBO000401 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.50 CC1CCC(C1O)O S352810 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.50 C[C@H]1[C@@H](CC[C@H]1O)C T297410 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.2 CCC(C)C(C)C(C)O S416983 [0,0,1,0,0,0|3,0,0]=4 8 B8R0.2 CCC(C)C(O)C(C)C S408050 [0,0,1,0,0,0|3,0,0]=4 9 B8R0.2 CC[C@@H](C)[C@H](O)[C@@H](C)O T259209 [0,0,1,0,0,0|2,0,0]=3 10 B8R0.3 CCCC(O)C(C)CC S412430 [0,0,1,0,0,0|3,0,0]=4 11 B8R0.6 CCC(C)CNCCO S393967 [0,0,1,0,0,0|2,0,0]=3 12 B8R0.20 CCC(O)C(CC)CC S442526 [0,0,1,0,0,0|3,0,0]=4 13 B10R2.32 [C@@H]12CCC[C@@H]1[C@@H](CC2)O T262935 [0,0,0,1,0,0|3,0,0]=4 14 B10R2.32 [C@H]12CCC[C@H]1[C@H](CC2)O T292788 [0,0,0,1,0,0|3,0,0]=4 15 B7R0.2 CC(C)C[C@H](N)CO CDS005275 [1,0,1,0,0,0|1,0,0]=3 16 B7R0.2 CCC(O)CC(C)O PH001987 [1,0,1,0,0,0|2,0,0]=4 17 B7R0.2 N[C@H](CO)CC(=O)O CDS007412 [1,0,1,0,0,0|1,0,1]=4 18 B7R0.5 CC(C)C(N)CCO BBO000682 [1,0,1,0,0,0|2,0,0]=4 19 B7R0.5 CCCC(C)C(C)O S433373 [1,0,1,0,0,0|2,0,0]=4 20 B7R0.10 C=C[C@@H](O)[C@@H](O)CO T269530 [1,0,1,0,0,0|1,0,1]=4 21 B7R0.10 [C@H](O)(CO)C(=O)CO R426385 [1,0,1,0,0,0|1,0,1]=4 22 B7R0.3 CC(CN)OCCO PH007420 [1,0,1,0,0,0|2,0,0]=4 23 B7R0.3 CCCN[C@@H](C)CO PH014617 [1,0,1,0,0,0|1,0,0]=3 24 B7R0.3 CCCN[C@H](C)CO PH014618 [1,0,1,0,0,0|1,0,0]=3 25 B7R0.3 CCOCC(O)CCl S379220 [1,0,1,0,0,0|2,0,0]=4 26 B7R0.3 CCSCC(O)CO R161446 [1,0,1,0,0,0|1,0,0]=3 27 B7R0.3 CCSCC(O)CO S327050 [1,0,1,0,0,0|1,0,0]=3 28 B7R0.3 NCC(Cl)CCCCl PH010492 [1,0,1,0,0,0|2,0,0]=4 29 B7R0.7 CCCC(S)CCO CDS001520 [1,0,1,0,0,0|1,1,0]=4 30 B7R0.1 CCCCSCCO S527408 [1,0,1,0,0,0|2,0,0]=4 31 B7R0.1 CNCCNCCO S522449 [1,0,1,0,0,0|2,0,0]=4 32 B7R0.1 NCCCNCCO S446831 [1,0,1,0,0,0|1,0,0]=3 33 B7R0.1 NCCNCCCO CDS000635 [1,0,1,0,0,0|1,0,0]=3 34 B7R0.1 OCC#CCCCO T185647 [1,0,1,0,0,0|1,0,1]=4 35 B7R0.1 OCCCNCCO S408409 [1,0,1,0,0,0|0,0,0]=2 36 B7R0.4 CC(C)CNCCO CBR01428 [1,0,1,0,0,0|1,0,0]=3 37 B7R0.4 CC(C)CSCCO PH017930 [1,0,1,0,0,0|2,0,0]=4 38 B7R0.4 CC(O)CNCCN S438324 [1,0,1,0,0,0|1,0,0]=3 39 B7R0.4 CC(O)CNCCO S361372 [1,0,1,0,0,0|0,0,0]=2 40 B7R0.4 CCCNC[C@@H](C)O PH016360 [1,0,1,0,0,0|1,0,0]=3 41 B7R0.12 CCN[C@H](CC)CO PH018891 [1,0,1,0,0,0|1,0,0]=3 42 B7R0.15 CCC(CC)C(C)O S361860 [1,0,1,0,0,0|2,0,0]=4 43 B7R1.1 BrCC1CCCC1 CDS005521 [2,0,0,0,0,0|2,0,0]=4 44 B7R1.1 BrCC1CCCO1 CDS001200 [2,0,0,0,0,0|2,0,0]=4 45 B7R1.1 NCC1CCCC1 SYX00193 [2,0,0,0,0,0|2,0,0]=4 46 B7R1.1 OCC1CCCN1 CDS000339 [2,0,0,0,0,0|0,0,0]=2 47 B7R1.2 OC1C=CC(C1)O S779164 [2,0,0,0,0,0|1,0,1]=4 48 B7R1.2 OC1CCC(O1)O S806188 [2,0,0,0,0,0|2,0,0]=4 49 B7R1.4 CC1=CCCC1O T295310 [2,0,0,0,0,0|1,0,1]=4 50 B7R1.4 CC1CCCC1C R289701 [2,0,0,0,0,0|2,0,0]=4 51 B7R1.4 CC1CCCC1O CDS001174 [2,0,0,0,0,0|1,0,0]=3 52 B7R1.4 N[C@H]1COC[C@@H]1O CDS019175 [2,0,0,0,0,0|2,0,0]=4 53 B7R1.4 N[C@H]1COC[C@H]1O CBR01676 [2,0,0,0,0,0|2,0,0]=4 54 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [2,0,0,0,0,0|0,0,2]=4 55 B7R1.4 OC1C=CCC1O PH007055 [2,0,0,0,0,0|1,0,1]=4 56 B7R1.4 O[C@H]1CNC[C@@H]1O CDS018735 [2,0,0,0,0,0|0,0,0]=2 57 B9R0.35 CCCC(O)C(O)CCC PH008194 [0,1,1,0,0,0|2,0,0]=4 58 B9R0.46 CCCCOCC(O)CO PH010017 [0,1,1,0,0,0|2,0,0]=4 59 B9R0.50 NCCCCC(CO)CO CDS005071 [0,1,1,0,0,0|2,0,0]=4 60 B9R1.21 OCC1CCC(C1)CO T237035 [1,1,0,0,0,0|1,0,0]=3 61 B9R1.35 O=C(O)[C@@H]1CC(CN1)O PH018681 [1,1,0,0,0,0|0,0,1]=3 62 B9R1.24 C[C@@]1(CCC[C@H]1CO)N BBO000380 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CDS009161 [1,1,0,0,0,0|0,0,1]=3 64 B9R1.28 CC1C(C(C1C)CO)C S272132 [0,1,0,0,1,0|2,0,0]=4 65 B11R1.278 OCC1OCC(C(C1O)O)O S490199 [0,1,0,0,0,1|1,0,0]=3 66 B11R1.37 CC1CCC(C(C1)CO)CO S454818 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.672 O=C(O)C1OC(C(C1O)O)O PH008547 [0,2,0,0,0,0|1,0,1]=4 68 B11R1.865 OCC(O)[C@H]1OC[C@@H]([C@@H]1O)O PH009516 [0,2,0,0,0,0|1,0,0]=3 69 B11R1.865 [C@@H]1(OC[C@@H]([C@H]1O)O)[C@H](O)CO PH006861 [0,2,0,0,0,0|1,0,0]=3 70 B9R1.3 CC1OCCC(C1O)O PH008649 [0,0,1,1,0,0|2,0,0]=4 71 B9R1.5 O[C@@H]1CCCCC[C@H]1O S435201 [0,0,1,1,0,0|2,0,0]=4 72 B9R1.15 NC[C@H]1CCCC[C@H]1O BBO000725 [0,0,1,1,0,0|2,0,0]=4 73 B9R1.15 NC[C@H]1CCCC[C@H]1O CDS006535 [0,0,1,1,0,0|2,0,0]=4 74 B9R1.69 CC1CC(CCC1O)O PH007017 [0,0,1,1,0,0|2,0,0]=4 75 B9R1.1 OC[C@H]1CC[C@@H](CC1)O T184683 [0,0,1,1,0,0|2,0,0]=4 76 B9R1.1 OC[C@H]1CC[C@H](CC1)O T184624 [0,0,1,1,0,0|2,0,0]=4 77 B9R1.50 OC1CCCCCOC1 T168815 [0,0,1,1,0,0|2,0,0]=4 78 B9R1.89 OCC1CNCCCO1 CDS020100 [0,0,1,1,0,0|1,0,0]=3 79 B9R1.89 OCC1CNCCOC1 PH019466 [0,0,1,1,0,0|1,0,0]=3 80 B9R1.118 CCC1(CCCNC1)O CBR00014 [0,0,1,1,0,0|2,0,0]=4 81 B11R3.449 OC1C2CC3C1C3C2O PH007354 [0,0,0,2,0,0|2,0,0]=4