0 B8R0.23 C=C(CC(C)C)C(=O)O W18790 [1,0,0,0,0,0|1,0,1]=3 1 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19556 [1,0,0,0,0,0|3,0,0]=4 2 B10R0.46 COC(=O)C[C@H](S)C(=O)OC AT10932 [0,1,0,0,0,0|1,1,1]=4 3 B10R1.14 COC(=O)C1CCC(Br)C1 P10074 [0,0,0,1,0,0|2,0,0]=3 4 B10R1.14 COC(=O)[C@@H]1CC(=O)CO1 C77356 [0,0,0,1,0,0|1,0,1]=3 5 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 AT22316 [0,0,0,1,0,0|2,0,0]=3 6 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P20482 [0,0,0,1,0,0|2,0,0]=3 7 B10R1.14 COC(=O)[C@@H]1C[C@@H](S)CN1 P18209 [0,0,0,1,0,0|2,0,0]=3 8 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 E70292 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13550 [0,0,0,1,0,0|2,0,0]=3 10 B10R1.424 COC(=O)C1(F)CC(O)C1 P18861 [0,0,0,1,0,0|2,0,0]=3 11 B10R1.424 COC(=O)[C@]1(C)C[C@@H](O)C1 P13534 [0,0,0,1,0,0|2,0,0]=3 12 B10R1.424 COC(=O)[C@]1(F)C[C@@H](N)C1 P18139 [0,0,0,1,0,0|2,0,0]=3 13 B10R1.424 COC(=O)[C@]1(F)C[C@H](N)C1 P18138 [0,0,0,1,0,0|2,0,0]=3 14 B7R0.3 CNC(=O)CCCO F10217 [2,0,0,0,0,0|2,0,0]=4 15 B9R0.35 C=CC[C@H](O)C(=O)OCC AC9119 [1,1,0,0,0,0|0,0,2]=4 16 B9R0.11 CN(C)CC(F)(F)C(=O)O F53141 [1,1,0,0,0,0|2,0,0]=4 17 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 31361 [1,1,0,0,0,0|1,0,0]=3 18 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 31362 [1,1,0,0,0,0|1,0,0]=3 19 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 32003 [1,1,0,0,0,0|1,0,0]=3 20 B9R0.39 CC(C)C[C@@H](CN)C(=O)O F15243 [1,1,0,0,0,0|1,0,0]=3 21 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 81510 [1,1,0,0,0,0|1,0,0]=3 22 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O AT26519 [1,1,0,0,0,0|1,1,0]=4 23 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O 25814 [1,1,0,0,0,0|1,0,0]=3 24 B11R0.120 COC(=O)[C@@H](O)CNC(=O)CCl D74106 [0,1,0,0,0,1|1,0,1]=4 25 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F 60135 [0,2,0,0,0,0|1,0,0]=3 26 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F 81533 [0,2,0,0,0,0|1,0,0]=3 27 B9R1.3 CN1CCC[C@H](N)C1=O Y10111 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.112 O=C(O)[C@@H](O)CC1CC1 69647 [1,0,0,1,0,0|0,0,0]=2 29 B9R1.112 O=C(O)[C@@H](O)CC1CC1 AT26814 [1,0,0,1,0,0|0,0,0]=2 30 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 P14629 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.152 NC1(C(=O)O)CC(O)C1 P17228 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.152 NC1CC(F)(C(=O)O)C1 D79210 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 P13808 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 P18177 [1,0,0,1,0,0|1,0,0]=3 35 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 38906 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P15218 [0,0,0,1,1,0|2,0,0]=4 37 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 C13702 [0,0,0,1,0,1|1,0,0]=3 38 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 P16384 [0,0,0,1,0,1|1,0,0]=3 39 B11R1.885 COC(=O)[C@@]1(C)CCN(C)C1 79457 [0,0,0,1,0,1|2,0,0]=4 40 B11R1.885 COC(=O)[C@@]1(C)CC[C@H](N)C1 P20081 [0,0,0,1,0,1|2,0,0]=4 41 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](N)C1 P19098 [0,1,0,1,0,0|2,0,0]=4 42 B11R1.23 COC(=O)[C@@H]1CNC[C@H](C)C1 P16256 [0,1,0,1,0,0|1,0,0]=3 43 B11R1.23 COC(=O)[C@@H]1COCC(=O)C1 P17472 [0,1,0,1,0,0|1,0,1]=4 44 B11R1.23 COC(=O)[C@@H]1C[C@@H](O)CCN1 AC2343 [0,1,0,1,0,0|2,0,0]=4 45 B11R1.23 COC(=O)[C@H]1CCN[C@@H](C)C1 P19718 [0,1,0,1,0,0|1,0,0]=3 46 B11R1.44 C#CC1CCC(C(=O)OC)C1 58316 [0,1,0,1,0,0|1,0,1]=4 47 B11R1.44 COC(=O)[C@H]1CC[C@@H](CO)C1 P16294 [0,1,0,1,0,0|1,0,0]=3 48 B11R1.884 COC(=O)[C@]1(OC)C[C@@H](N)C1 D96539 [0,1,0,1,0,0|1,0,0]=3 49 B11R1.884 COC(=O)[C@]1(OC)C[C@H](N)C1 D96538 [0,1,0,1,0,0|1,0,0]=3 50 B11R1.884 COC(=O)[C@]1(OC)C[C@H](O)C1 P19626 [0,1,0,1,0,0|1,0,0]=3 51 B11R2.911 COC(=O)[C@H]1NC[C@@H]2C[C@H]12 P15066 [0,0,0,2,0,0|1,0,0]=3 52 B11R2.911 COC(=O)[C@H]1NC[C@H]2C[C@H]21 P13394 [0,0,0,2,0,0|1,0,0]=3 53 B11R2.914 COC(=O)[C@H]1C[C@@H]2O[C@@H]2C1 33784 [0,0,0,2,0,0|2,0,0]=4 54 B11R2.1923 COC(=O)C12CC(C)(C1)C2 P21090 [0,0,0,2,0,0|1,0,0]=3 55 B11R2.1923 COC(=O)C12CC(N)(C1)C2 P17080 [0,0,0,2,0,0|2,0,0]=4 56 B11R2.1923 COC(=O)C12CC(O)(C1)C2 P18443 [0,0,0,2,0,0|2,0,0]=4