0 B9R0.2 B(CCCCCCC)(O)O AB23085 [1,0,0,0,0,0|1,0,2]=4 1 B9R0.5 CCOC(=O)CCN=C=O AB03009 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.15 CCOC(=O)C1CC(=O)NC1 AB44509 [0,0,0,1,0,0|3,0,0]=4 3 B11R1.15 CCOC(=O)N1CCC(=O)C1 PB29183 [0,0,0,1,0,0|3,0,0]=4 4 B11R1.157 C1C(NC(=O)CN1)CC(=O)O AB61646 [0,0,0,1,0,0|2,0,0]=3 5 B11R1.157 C1CN(CC(=O)N1)CC(=O)O AB25397 [0,0,0,1,0,0|2,0,0]=3 6 B11R1.157 C1[C@@H](NC(=O)CN1)CC(=O)O AB61653 [0,0,0,1,0,0|2,0,0]=3 7 B11R1.157 C1[C@H](NC(=O)CN1)CC(=O)O AB61649 [0,0,0,1,0,0|2,0,0]=3 8 B11R1.201 CCOC(=O)CC1CC(C1)O PB38836 [0,0,0,1,0,0|2,0,1]=4 9 B11R1.201 CCOC(=O)C[C@H]1C[C@@H](C1)O PB39260 [0,0,0,1,0,0|2,0,1]=4 10 B11R1.201 CCOC(=O)C[C@H]1C[C@H](C1)O PB36616 [0,0,0,1,0,0|2,0,1]=4 11 B9R0.48 CCOC(=O)CC[N+](=O)[O-] MB00654 [0,0,0,0,1,0|2,0,1]=4 12 B8R0.7 B(CCCCCC)(O)O AB08083 [2,0,0,0,0,0|1,0,1]=4 13 B10R0.4 C(COCCOCC(=O)O)N AB66809 [1,1,0,0,0,0|2,0,0]=4 14 B10R0.74 CCCCNCCC(=O)OC MB00434 [1,1,0,0,0,0|1,0,1]=4 15 B12R0.140 CC(C)(C)OC(=O)NCCC(=O)O AB01646 [0,2,0,0,0,0|2,0,0]=4 16 B10R1.13 C1C(NCC(=O)N1)C(=O)O AB61601 [1,0,0,1,0,0|2,0,0]=4 17 B10R1.13 C1CC(=O)CCC1C(=O)O PB10093 [1,0,0,1,0,0|0,0,0]=2 18 B10R1.13 C1CC(=O)NCC1C(=O)O PB30997 [1,0,0,1,0,0|1,0,0]=3 19 B10R1.13 C1CC(CCC1C(=O)O)F AB68681 [1,0,0,1,0,0|1,0,1]=4 20 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O PB10129 [1,0,0,1,0,0|1,0,1]=4 21 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O PB21681 [1,0,0,1,0,0|1,0,1]=4 22 B10R1.13 C1[C@@H](NCC(=O)N1)C(=O)O AB61607 [1,0,0,1,0,0|2,0,0]=4 23 B10R1.13 C1[C@H](NCC(=O)N1)C(=O)O AB61603 [1,0,0,1,0,0|2,0,0]=4 24 B10R1.13 CN1CCC(CC1)C(=O)O AB04504 [1,0,0,1,0,0|2,0,0]=4 25 B10R1.13 CN1CCC(CC1)C(=O)O PB21919 [1,0,0,1,0,0|2,0,0]=4 26 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O AB02851 [1,0,0,1,0,0|1,0,1]=4 27 B10R1.14 COC(=O)C1CCC(=O)C1 PB20391 [1,0,0,1,0,0|2,0,0]=4 28 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 PB27535 [1,0,0,1,0,0|2,0,0]=4 29 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 PB31918 [1,0,0,1,0,0|2,0,0]=4 30 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 AB08715 [1,0,0,1,0,0|2,0,0]=4 31 B10R1.54 C1CN(CC1=O)CC(=O)O AB29047 [1,0,0,1,0,0|1,0,0]=3 32 B10R1.194 CN1C(CCC1=O)C(=O)O MB14791 [1,0,0,1,0,0|1,0,0]=3 33 B10R1.18 C1CC(CNC1)CC(=O)O PB14441 [1,0,0,1,0,0|1,0,0]=3 34 B10R1.18 C1CCN(CC1)CC(=O)O AB06105 [1,0,0,1,0,0|1,0,1]=4 35 B10R1.18 C1CCN[C@@H](C1)CC(=O)O MB07045 [1,0,0,1,0,0|1,0,1]=4 36 B10R1.18 C1CNCCC1CC(=O)O PB18605 [1,0,0,1,0,0|1,0,1]=4 37 B10R1.18 C1COC(CN1)CC(=O)O AB17145 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.18 C1COCC(N1)CC(=O)O PB27599 [1,0,0,1,0,0|2,0,0]=4 39 B10R1.18 C1COCCC1CC(=O)O PB33952 [1,0,0,1,0,0|1,0,1]=4 40 B10R1.18 C1COC[C@@H](N1)CC(=O)O MB69354 [1,0,0,1,0,0|2,0,0]=4 41 B10R1.18 C1COC[C@H](N1)CC(=O)O MB69353 [1,0,0,1,0,0|2,0,0]=4 42 B10R1.18 C1CO[C@@H](CN1)CC(=O)O MB15018 [1,0,0,1,0,0|2,0,0]=4 43 B10R1.18 C1CO[C@H](CN1)CC(=O)O MB15022 [1,0,0,1,0,0|2,0,0]=4 44 B10R1.18 C1C[C@@H](CNC1)CC(=O)O AB70074 [1,0,0,1,0,0|1,0,0]=3 45 B10R1.18 C1C[C@H](CNC1)CC(=O)O AB70075 [1,0,0,1,0,0|1,0,0]=3 46 B10R1.61 C1C=CC[C@@H]([C@H]1C(=O)O)N AB03951 [1,0,0,1,0,0|1,0,1]=4 47 B10R1.61 C1C=CC[C@H]([C@H]1C(=O)O)N AB03891 [1,0,0,1,0,0|1,0,1]=4 48 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N AB03883 [1,0,0,1,0,0|1,0,1]=4 49 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB03949 [1,0,0,1,0,0|1,0,1]=4 50 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB22523 [1,0,0,1,0,0|1,0,1]=4 51 B10R1.61 C1C[C@H]([C@H](C=C1)N)C(=O)O AB45065 [1,0,0,1,0,0|1,0,1]=4 52 B10R1.61 C1C[C@H]([C@H](C=C1)N)C(=O)O AB46009 [1,0,0,1,0,0|1,0,1]=4 53 B10R1.61 CN1CCCCC1C(=O)O AB09264 [1,0,0,1,0,0|1,0,1]=4 54 B10R1.348 C1CC(CCNC1)C(=O)O PB15253 [1,0,0,1,0,0|1,0,0]=3 55 B10R1.113 C1C(NC(=O)CN1)C(=O)O AB61614 [0,0,0,1,1,0|2,0,0]=4 56 B10R1.113 C1CNC(=O)CC1C(=O)O PB11932 [0,0,0,1,1,0|1,0,0]=3 57 B10R1.113 C1C[C@@H](NC(=O)C1)C(=O)O AB49077 [0,0,0,1,1,0|1,0,0]=3 58 B10R1.113 C1C[C@H](NC(=O)C1)C(=O)O AB16268 [0,0,0,1,1,0|1,0,0]=3 59 B10R1.113 C1[C@@H](NC(=O)CN1)C(=O)O AB61619 [0,0,0,1,1,0|2,0,0]=4 60 B10R1.113 C1[C@H](NC(=O)CN1)C(=O)O AB61618 [0,0,0,1,1,0|2,0,0]=4 61 B10R1.113 CN1CCCC(C1)C(=O)O PB20225 [0,0,0,1,1,0|2,0,0]=4 62 B12R1.226 C1CN(CC(=O)N1)CCC(=O)O AB61580 [0,0,0,1,0,1|1,0,0]=3 63 B12R1.101 C1C(CC(=O)NC1=O)CC(=O)O AB22687 [0,1,0,1,0,0|1,0,1]=4 64 B12R1.101 CC1CN(CC(=O)N1)CC(=O)O AB61830 [0,1,0,1,0,0|2,0,0]=4 65 B12R1.101 C[C@@H]1CN(CC(=O)N1)CC(=O)O AB61836 [0,1,0,1,0,0|2,0,0]=4 66 B12R1.101 C[C@H]1CN(CC(=O)N1)CC(=O)O AB61833 [0,1,0,1,0,0|2,0,0]=4 67 B12R1.113 CCC[C@H]1CC[C@@H](CC1)C(=O)O AB02359 [0,1,0,1,0,0|1,0,1]=4 68 B12R1.252 C1CNCCC1CCCC(=O)O AB12633 [0,1,0,1,0,0|1,0,1]=4 69 B12R1.16 CCOC(=O)C1CCC(=O)CO1 PB36315 [0,1,0,1,0,0|1,0,0]=3 70 B12R1.125 C1CN(C(=O)CN1)CCC(=O)O AB61583 [0,1,0,1,0,0|1,0,0]=3 71 B12R1.19 CN1CCN(CC1=O)CC(=O)O AB61554 [0,1,0,1,0,0|2,0,0]=4 72 B12R2.2443 C1C2C(C1=O)CNC2C(=O)O PB35693 [0,0,0,2,0,0|1,0,0]=3 73 B12R2.252 C1C[C@@H]2C[C@@H](N[C@@H]2C1)C(=O)O AB21139 [0,0,0,2,0,0|1,0,1]=4 74 B8R0.5 CCCC(CC(=O)O)N AB01975 [0,0,0,0,2,0|1,0,1]=4 75 B8R0.5 CCOC(=O)CC(=O)O AB01280 [0,0,0,0,2,0|1,0,0]=3 76 B8R0.5 CCOC(=O)CC(=O)[O-] AB01563 [0,0,0,0,2,0|1,0,1]=4