0 B9R1.35 C1C(CNC1=O)C(=O)N WXC03215 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 C1CC(CC1C(=O)O)F WX611711 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N WX604626 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F WX660039 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 CC(C)C1COC(=O)N1 WX690028 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 CC1CCC(C1)C(=O)O WX611716 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O WX611125 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.1 C1C(COC1=O)CO WX640247 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.1 C1CC(=O)CC1C#N WX683083 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.1 C1CC(=O)O[C@H]1CO WX640049 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.1 CCC1COC(=O)N1 WX619211 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.1 C[C@H]1CC[C@H](N1)CO WX601190 [1,0,0,0,0,0|1,0,2]=4 12 B8R1.7 C1CC(SC1)C(=O)O WX610408 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.7 C1COCC1C(=O)O WX610323 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.7 c1cnc([nH]1)C(=O)O WX614140 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.14 COC(=O)C1CC(=O)NC1 WX618005 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.14 COC(=O)C1CCC(=O)N1 WX618256 [0,1,0,0,0,0|0,0,0]=1 17 B10R1.14 COC(=O)[C@@H]1CC(=O)NC1 WXC01686 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.14 COC(=O)[C@@H]1CCC(=S)N1 WXC03648 [0,1,0,0,0,0|0,1,0]=2 19 B10R1.14 COC(=O)[C@H]1CC(=O)NC1 WXC01688 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.58 CN1CC(CC1=O)C(=O)N WX619178 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.58 CN1CC(CC1=O)C(=O)O WX610104 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.359 C1CC(CC1C(=O)O)(F)F WX611674 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.23 C1C(CC1F)C(=O)O WX610015 [0,0,0,0,1,0|2,0,1]=4 24 B8R1.23 C1C(CC1O)C(=O)O WX610009 [0,0,0,0,1,0|1,0,2]=4 25 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O WX610012 [0,0,0,0,1,0|1,0,2]=4 26 B8R1.23 C=C1CC(C1)C(=O)O WX610003 [0,0,0,0,1,0|2,0,0]=3 27 B8R1.23 CC1CC(C1)C(=O)O WX610004 [0,0,0,0,1,0|2,0,1]=4 28 B8R1.23 CN1CC(C1)C(=O)O WX610403 [0,0,0,0,1,0|3,0,0]=4 29 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O WX610006 [0,0,0,0,1,0|2,0,1]=4 30 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O WX610005 [0,0,0,0,1,0|2,0,1]=4 31 B10R1.13 CC(=O)N1CCC(=O)CC1 WX620033 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.13 CC1=CCC(CC1)C(=O)O WX610371 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O WX611257 [0,0,0,0,0,1|2,0,1]=4 34 B10R1.54 C1CN(CC1=O)CC(=O)O WX610251 [0,0,0,0,0,1|2,0,0]=3 35 B7R0.5 C(CN)[C@@H](C(=O)O)N WX665073 [1,0,1,0,0,0|1,0,0]=3 36 B7R1.1 C1CC(NC1)CO WX640259 [2,0,0,0,0,0|0,0,2]=4 37 B7R1.2 C1[C@@H](CNC1=O)O WX650011 [2,0,0,0,0,0|2,0,0]=4 38 B9R0.39 CC(=O)N[C@H](CO)C(=O)O WX665002 [0,1,1,0,0,0|1,0,0]=3 39 B9R0.1 COC(=O)CCC[N+](=O)[O-] WXC04005 [0,1,1,0,0,0|2,0,0]=4 40 B9R1.11 COC(=O)C1CCCC1 WX618330 [1,1,0,0,0,0|1,0,1]=4 41 B9R1.11 COC(=O)C1CCCN1 WX604114 [1,1,0,0,0,0|0,0,1]=3 42 B9R1.11 COC(=O)C1CCNC1 WX604193 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.41 C1C(C(CN1)O)C(=O)O WX601556 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O WX660034 [1,1,0,0,0,0|0,0,1]=3 45 B9R1.41 CC1CCCC1C(=O)O WX611680 [1,1,0,0,0,0|1,0,1]=4 46 B9R1.41 C[C@H]1[C@H](CCO1)C(=O)O WX611127 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.163 C[C@@]1(CCCN1)C(=O)O WX660001 [1,1,0,0,0,0|0,0,1]=3 48 B9R1.163 C[C@]1(CCCN1)C(=O)O WX660002 [1,1,0,0,0,0|0,0,1]=3 49 B11R1.22 C[C@@H]1CC[C@H](CN1)C(=O)OC WX604525 [0,1,0,0,0,1|1,0,1]=4 50 B11R1.23 COC(=O)C1CCCC(=O)N1 WX618117 [0,1,0,0,0,1|0,0,0]=2 51 B11R1.15 CCOC(=O)C1CCC(=O)N1 WX665012 [0,2,0,0,0,0|0,0,0]=2 52 B11R1.44 COC(=O)[C@@H]1CCC(=N1)SC WXC03647 [0,2,0,0,0,0|0,1,1]=4 53 B11R1.226 CN1CC(CC1=O)C(=O)OC WX618174 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.175 C1CC(CC1C(=O)O)C(=O)O WX610045 [0,2,0,0,0,0|1,0,1]=4 55 B9R1.6 C1CCN[C@@H](C1)C(=O)O WX665058 [0,0,1,1,0,0|1,0,1]=4 56 B9R1.69 C1CC(=O)NC(=O)C1N WXC01464 [0,0,1,1,0,0|1,0,0]=3 57 B11R2.738 C1C2C(C(C1NC2=O)O)O WXC03273 [0,1,0,1,0,0|0,0,2]=4 58 B7R1.12 C1[C@H]([C@@H]1F)C(=O)O WX610333 [0,0,0,0,2,0|1,0,1]=4 59 B7R1.12 C1[C@H]([C@H]1F)C(=O)O WX610334 [0,0,0,0,2,0|1,0,1]=4 60 B7R1.12 CC1CC1C(=O)O WX610273 [0,0,0,0,2,0|1,0,1]=4 61 B7R1.12 C[C@H]1C[C@@H]1C(=O)O WX611005 [0,0,0,0,2,0|1,0,1]=4 62 B11R1.20 C1CN(CCC1=O)CC(=O)O WX610253 [0,0,0,0,0,2|2,0,0]=4