0 B8R1.51 CC1(CCC(C1)N)O PB38754 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.14 CC1(CCCN1)C PB25045 [1,0,0,0,0,0|2,0,0]=3 2 B7R1.14 CC1(CCNC1)C PB14755 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.133 CC1(OC[C@@H](O1)C#C)C AB76164 [0,1,0,0,0,0|0,0,1]=2 4 B9R1.133 CC1(OC[C@H](O1)C#C)C AB76129 [0,1,0,0,0,0|0,0,1]=2 5 B7R0.11 CCO[C@@](C)(CO)O AB31299 [0,0,1,0,0,0|3,0,0]=4 6 B7R1.16 CC1(CC(C1)O)N PB38639 [0,0,0,0,1,0|3,0,0]=4 7 B7R1.16 C[C@]1(C[C@@H](C1)N)O PB37614 [0,0,0,0,1,0|3,0,0]=4 8 B7R1.16 C[C@]1(C[C@@H](C1)O)N PB37848 [0,0,0,0,1,0|3,0,0]=4 9 B7R1.16 C[C@]1(C[C@H](C1)N)O PB38993 [0,0,0,0,1,0|3,0,0]=4 10 B7R1.16 C[C@]1(C[C@H](C1)O)N PB36691 [0,0,0,0,1,0|3,0,0]=4 11 B9R1.10 CC1(OCC(=O)CO1)C MB01392 [0,0,0,0,0,1|1,0,1]=3 12 B9R1.10 CC1(OCC(CO1)N)C MB07021 [0,0,0,0,0,1|1,0,0]=2 13 B6R0.1 CCOC(=N)CO AB60920 [1,0,1,0,0,0|1,0,1]=4 14 B6R0.5 CC(C)(C)CCI AB29727 [1,0,1,0,0,0|2,0,0]=4 15 B6R0.8 CC(C)(CO)OC CB11973 [1,0,1,0,0,0|1,0,0]=3 16 B6R1.2 C1COCC1Br PB20333 [2,0,0,0,0,0|2,0,0]=4 17 B6R1.2 C1COCC1I PB14773 [2,0,0,0,0,0|2,0,0]=4 18 B6R1.2 C1COCC1N PB27801 [2,0,0,0,0,0|2,0,0]=4 19 B6R1.2 C1COCC1O PB24525 [2,0,0,0,0,0|2,0,0]=4 20 B6R1.2 C1COC[C@@H]1I PB34863 [2,0,0,0,0,0|2,0,0]=4 21 B6R1.2 C1COC[C@@H]1N PB10514 [2,0,0,0,0,0|2,0,0]=4 22 B6R1.2 C1COC[C@@H]1O PB17096 [2,0,0,0,0,0|2,0,0]=4 23 B6R1.2 C1COC[C@H]1I PB22839 [2,0,0,0,0,0|2,0,0]=4 24 B6R1.2 C1COC[C@H]1N PB18852 [2,0,0,0,0,0|2,0,0]=4 25 B6R1.2 C1COC[C@H]1O PB25950 [2,0,0,0,0,0|2,0,0]=4 26 B6R1.2 CC1=CCCO1 AB00300 [2,0,0,0,0,0|1,0,1]=4 27 B6R1.2 CC1CCCN1 AB44503 [2,0,0,0,0,0|2,0,0]=4 28 B6R1.2 CC1CCNC1 AB41901 [2,0,0,0,0,0|2,0,0]=4 29 B6R1.2 C[C@@H]1CCCN1 AB29488 [2,0,0,0,0,0|2,0,0]=4 30 B6R1.2 C[C@@H]1CCCN1 AB42774 [2,0,0,0,0,0|2,0,0]=4 31 B6R1.2 C[C@@H]1CCNC1 AB29518 [2,0,0,0,0,0|2,0,0]=4 32 B6R1.2 C[C@H]1CCCN1 AB29489 [2,0,0,0,0,0|2,0,0]=4 33 B6R1.2 C[C@H]1CCNC1 AB29522 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.34 CC(=O)OC(C)(C)CO AB53345 [0,1,1,0,0,0|1,0,1]=4 35 B8R0.21 CC(C)(C)OCCON MB08231 [0,1,1,0,0,0|2,0,0]=4 36 B8R1.52 CC1(CCCO1)CN PB14687 [1,1,0,0,0,0|1,0,0]=3 37 B8R1.52 CC1(OCCO1)CN AB61528 [1,1,0,0,0,0|0,0,0]=2 38 B8R1.52 C[C@@]1(CCCN1)CO PB37364 [1,1,0,0,0,0|2,0,0]=4 39 B8R1.52 C[C@]1(CCCN1)CO PB35769 [1,1,0,0,0,0|2,0,0]=4 40 B8R1.53 CC1(CC(C1)CN)O PB37939 [0,1,0,0,1,0|2,0,0]=4 41 B8R1.53 CC1(CC(O1)CBr)C PB14049 [0,1,0,0,1,0|0,0,0]=2 42 B8R1.53 CC1(CC(O1)CI)C PB24482 [0,1,0,0,1,0|0,0,0]=2 43 B8R1.53 CC1(CC(O1)CN)C PB39159 [0,1,0,0,1,0|0,0,0]=2 44 B8R1.53 CC1(CC(O1)CO)C PB16962 [0,1,0,0,1,0|0,0,0]=2 45 B8R1.53 C[C@]1(C[C@@H](C1)CN)O PB39234 [0,1,0,0,1,0|2,0,0]=4 46 B8R1.53 C[C@]1(C[C@H](C1)CN)O PB37961 [0,1,0,0,1,0|2,0,0]=4 47 B10R1.171 CC1(CC(CCO1)C=O)C AB09953 [0,1,0,0,0,1|1,0,1]=4 48 B10R1.171 CC1(CC(CCO1)CN)C AB61238 [0,1,0,0,0,1|1,0,0]=3 49 B10R1.307 CC1(CNCC(O1)(C)C)C AB54598 [0,1,0,0,0,1|1,0,0]=3 50 B10R1.307 CC1(COCC(N1)(C)C)C AB10487 [0,1,0,0,0,1|1,0,0]=3 51 B10R1.329 CC1(OC(=O)CC(=O)O1)C AB00787 [0,1,0,0,0,1|1,0,1]=4 52 B10R1.560 CC1(CC(=O)C(O1)(C)C)C AB00975 [0,2,0,0,0,0|1,0,0]=3 53 B10R1.95 CC1(OC[C@@H](O1)CON)C CB11231 [0,2,0,0,0,0|0,0,0]=2 54 B8R1.4 CC1COCC(N1)C AB02607 [0,0,1,1,0,0|1,0,0]=3 55 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [0,0,1,1,0,0|2,0,0]=4 56 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [0,0,1,1,0,0|2,0,0]=4 57 B8R1.4 C[C@@H]1CNC[C@@H](N1)C PB23510 [0,0,1,1,0,0|2,0,0]=4 58 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PB30593 [0,0,1,1,0,0|1,0,0]=3 59 B8R1.4 C[C@@H]1CNC[C@H](N1)C AB48105 [0,0,1,1,0,0|2,0,0]=4 60 B8R1.4 C[C@@H]1CNC[C@H](O1)C AB85737 [0,0,1,1,0,0|1,0,0]=3 61 B8R1.4 C[C@@H]1COC[C@@H](N1)C PB22631 [0,0,1,1,0,0|1,0,0]=3 62 B8R1.4 C[C@H]1CNC[C@@H](N1)C AB48104 [0,0,1,1,0,0|2,0,0]=4 63 B8R1.4 C[C@H]1CNC[C@@H](O1)C AB85738 [0,0,1,1,0,0|1,0,0]=3 64 B8R1.4 C[C@H]1CNC[C@@H](O1)C PB23755 [0,0,1,1,0,0|1,0,0]=3 65 B8R1.4 C[C@H]1COC[C@@H](N1)C MB13620 [0,0,1,1,0,0|1,0,0]=3 66 B8R1.34 CC(C)NC1COC1 PB22179 [0,0,1,1,0,0|1,0,0]=3 67 B8R1.34 CC(C)OC1CNC1 AB30393 [0,0,1,1,0,0|1,0,0]=3 68 B8R1.3 C1C(OCC(O1)O)O PB11588 [0,0,1,1,0,0|2,0,0]=4 69 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N AB30937 [0,0,1,1,0,0|2,0,0]=4 70 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O PB27420 [0,0,1,1,0,0|2,0,0]=4 71 B8R1.3 C1[C@@H](CC[C@H](C1)O)N AB02731 [0,0,1,1,0,0|2,0,0]=4 72 B8R1.3 C1[C@@H](CC[C@H](C1)O)O AB02551 [0,0,1,1,0,0|2,0,0]=4 73 B8R1.3 CC1CNC(CO1)C AB55657 [0,0,1,1,0,0|1,0,0]=3 74 B8R1.3 CN1CCC(CC1)O PB18398 [0,0,1,1,0,0|2,0,0]=4 75 B8R1.3 C[C@@H]1CN[C@@H](CN1)C AB48053 [0,0,1,1,0,0|2,0,0]=4 76 B8R1.3 C[C@@H]1CN[C@H](CN1)C AB02818 [0,0,1,1,0,0|2,0,0]=4 77 B8R1.23 CC(C)N1CC(C1)O PB29030 [0,0,1,1,0,0|1,0,0]=3 78 B8R1.55 CC(C)(C1CNC1)O PB18376 [0,0,1,1,0,0|2,0,0]=4 79 B8R1.72 CC1(CCCCN1)C AB58454 [0,0,1,1,0,0|2,0,0]=4 80 B8R1.72 CC1(CCCNC1)O PB32801 [0,0,1,1,0,0|2,0,0]=4 81 B8R1.72 CC1(CCNCC1)O PB10877 [0,0,1,1,0,0|2,0,0]=4 82 B8R1.72 CC1(CCNCC1)O PB32903 [0,0,1,1,0,0|2,0,0]=4 83 B8R1.72 CC1(CNCCO1)C AB51044 [0,0,1,1,0,0|2,0,0]=4 84 B8R2.34 C1C[C@@H]2C[C@H]1CN2 MB03646 [1,0,0,1,0,0|2,0,0]=4 85 B8R2.34 C1[C@@H]2CN[C@H]1CO2 AB63562 [1,0,0,1,0,0|2,0,0]=4 86 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB19618 [1,0,0,1,0,0|2,0,0]=4 87 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB35087 [1,0,0,1,0,0|2,0,0]=4 88 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB11680 [1,0,0,1,0,0|2,0,0]=4 89 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB12929 [1,0,0,1,0,0|2,0,0]=4 90 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB19914 [1,0,0,1,0,0|2,0,0]=4 91 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB27446 [1,0,0,1,0,0|2,0,0]=4 92 B8R2.55 C1CC2(CC2)NC1 PB38198 [1,0,0,1,0,0|2,0,0]=4 93 B6R0.7 C[C@@H](C(C)(C)O)N MB19778 [0,0,1,0,1,0|1,0,0]=3 94 B6R1.4 CC1C(CN1)O PB39176 [1,0,0,0,1,0|2,0,0]=4 95 B6R1.10 CC1(CNC1)C PB36182 [1,0,0,0,1,0|2,0,0]=4 96 B6R1.10 CC1(COC1)C MB00151 [1,0,0,0,1,0|2,0,0]=4