0 B8R0.37 C=C(Cl)C(C)(C)C(=O)O 2396AL [0,0,0,0,0,0|2,0,1]=3 1 B8R0.37 CC(C)(C(N)=O)C(=O)O 9716AC [0,0,0,0,0,0|2,0,0]=2 2 B8R0.37 CC(C)C(C)(O)C(=O)O 4613AB [0,0,0,0,0,0|1,0,1]=2 3 B8R0.37 CC(Cl)C(Cl)(Cl)C(=O)O X0222 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.37 O=C(F)C(F)(F)C(=O)F 6349AE [0,0,0,0,0,0|4,0,0]=4 5 B7R0.13 C#CC(C)(C)C(=O)O Z3525 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.13 CC(C)(C#N)C(=O)O 1332AB [1,0,0,0,0,0|2,0,1]=4 7 B7R0.13 CC(C)(CN)C(=O)O 2121AJ [1,0,0,0,0,0|2,0,1]=4 8 B7R0.13 CCC(C)(N)C(=O)O V6829 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.13 CNC(C)(C)C(=O)O 5084AH [1,0,0,0,0,0|2,0,0]=3 10 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [1,0,0,0,0,0|2,0,0]=3 11 B7R0.16 CC(C(=O)O)N(C)C 5353AD [1,0,0,0,0,0|2,0,0]=3 12 B7R0.16 CC(C)C(F)C(=O)O W3426 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.80 CC(C)(C)C(C)(N)C(=O)O V8732 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.80 CC(O)(C(=O)O)C(F)(F)F 1877AE [0,1,0,0,0,0|2,0,1]=4 15 B9R1.106 C[C@]1(O)C(=O)OC[C@H]1O 9656AA [0,0,0,1,0,0|0,0,2]=3 16 B9R1.165 CC(N)(C(=O)O)C1CC1 V8733 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.168 CC(=O)C1(C(=O)O)CC1 X5135 [0,0,0,1,0,0|1,0,0]=2 18 B9R1.168 CC(=O)C1(C(C)=O)CC1 1475AL [0,0,0,1,0,0|2,0,0]=3 19 B9R0.11 CC(=O)NC(C)(C)C(=O)O 5143AE [0,0,0,0,0,1|1,0,0]=2 20 B9R0.11 CC(C)CC(C)(O)C(=O)O 4614AB [0,0,0,0,0,1|1,0,1]=3 21 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O 0594AP [0,0,0,0,0,1|2,0,1]=4 22 B9R0.11 CC(C)C[C@](C)(N)C(=O)O 7059AH [0,0,0,0,0,1|2,0,1]=4 23 B9R0.11 O=C(O)CC(F)(F)C(=O)O 7677AE [0,0,0,0,0,1|3,0,0]=4 24 B6R0.3 C#CC(O)C(=O)O 5648AL [2,0,0,0,0,0|0,0,2]=4 25 B6R0.3 CC(=O)C(N)CO 6844AC [2,0,0,0,0,0|1,0,1]=4 26 B6R0.3 CC(CO)C(=O)O Z7389 [2,0,0,0,0,0|0,0,2]=4 27 B6R0.3 CCC(C)C(C)=O U423 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.3 CCC(O)C(=O)[O-] 8154AL [2,0,0,0,0,0|0,0,2]=4 29 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [2,0,0,0,0,0|1,0,1]=4 30 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [2,0,0,0,0,0|1,0,1]=4 31 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.3 CSC(C)C(=O)O 6148AE [2,0,0,0,0,0|1,0,0]=3 33 B6R0.3 CSC(C)C(C)=O 6125AL [2,0,0,0,0,0|2,0,0]=4 34 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [2,0,0,0,0,0|1,0,1]=4 35 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [2,0,0,0,0,0|1,0,1]=4 36 B6R0.3 C\C=C(/C)C(C)=O 6105AL [2,0,0,0,0,0|1,0,1]=4 37 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [2,0,0,0,0,0|0,0,1]=3 38 B6R0.3 O=C(O)C(O)CCl 2399AL [2,0,0,0,0,0|1,0,1]=4 39 B6R0.3 O=C([O-])C(O)CO 7310AL [2,0,0,0,0,0|1,0,1]=4 40 B6R0.7 CC(=O)C(C)(C)Br Y1567 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.7 CC(=O)C(C)(C)O X0229 [2,0,0,0,0,0|0,0,1]=3 42 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [2,0,0,0,0,0|1,0,0]=3 43 B6R0.7 CC(C)(N)C(N)=O 5432AJ [2,0,0,0,0,0|2,0,0]=4 44 B6R0.7 CC(C)(N)C(N)=O 5907AD [2,0,0,0,0,0|2,0,0]=4 45 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [2,0,0,0,0,0|0,0,1]=3 46 B6R0.2 CC(=O)SC(C)=O 7216AF [2,0,0,0,0,0|2,0,0]=4 47 B6R0.2 C[C@H](Br)CC(=O)O V0016 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.2 NC(=O)CC(=O)O 1571AB [2,0,0,0,0,0|1,0,0]=3 49 B8R0.12 C=CC[C@@](C)(N)C(=O)O Q366 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.12 CCOC(C)(C)C(=O)O 7496AA [1,1,0,0,0,0|1,0,1]=4 51 B8R0.12 COCC(C)(C)C(=O)O 9837AB [1,1,0,0,0,0|1,0,1]=4 52 B8R0.13 CCC(=O)C(C)(C)C=O 1854AL [1,1,0,0,0,0|1,0,0]=3 53 B8R0.36 CCC(C)(CC)C(=O)O 0222AB [1,1,0,0,0,0|1,0,1]=4 54 B8R0.36 CCC(N)(CC)C(=O)O V9173 [1,1,0,0,0,0|1,0,1]=4 55 B8R0.2 COC(=O)C(C)C(=O)O 2314AJ [1,1,0,0,0,0|0,0,0]=2 56 B8R0.2 COC(=O)C(N)C(C)=O 0522AC [1,1,0,0,0,0|1,0,0]=3 57 B8R0.2 COC(=O)[C@H](O)C(C)C 9860AL [1,1,0,0,0,0|1,0,1]=4 58 B8R0.18 CC(C)[C@H](NO)C(=O)O Q384 [1,1,0,0,0,0|1,0,1]=4 59 B8R0.18 CN[C@@H](C(=O)O)C(C)C Z5749 [1,1,0,0,0,0|1,0,1]=4 60 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O Z5815 [1,1,0,0,0,0|0,0,2]=4 61 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 1248AL [1,1,0,0,0,0|1,0,1]=4 62 B10R0.47 C=CC(=O)NC(C)(C)C(=O)O Y8590 [0,1,0,0,0,1|1,0,1]=4 63 B10R0.47 COC(=O)CC(C)(C)C(=O)O 7752AB [0,1,0,0,0,1|1,0,0]=3 64 B10R0.36 CCOC(=O)C(C)(C)C(C)=O 8889AB [0,2,0,0,0,0|1,0,0]=3 65 B8R1.63 CCC1(C(=O)O)CC1 9835AH [1,0,0,1,0,0|1,0,1]=4 66 B8R1.50 CC1=NOC(=O)C1C W3412 [1,0,0,1,0,0|1,0,0]=3 67 B8R1.50 CN1C(=O)CNC1=O 0568AC [1,0,0,1,0,0|2,0,0]=4 68 B8R1.50 CN1C(=O)COC1=O 4361AD [1,0,0,1,0,0|1,0,0]=3 69 B8R1.50 O=C1CCC(=O)C1Br 4248AD [1,0,0,1,0,0|2,0,0]=4 70 B10R1.291 CC(=O)C1(Cl)CCOC1=O 9391AD [0,1,0,1,0,0|1,0,0]=3 71 B10R1.291 CC(=O)C1(F)CCOC1=O 7061AE [0,1,0,1,0,0|1,0,0]=3 72 B10R1.425 COC(=O)C1(C(C)=O)CC1 Y1519 [0,1,0,1,0,0|1,0,0]=3 73 B8R0.23 CC(=O)C(C)CC(=O)O 7164AL [1,0,0,0,0,1|0,0,0]=2 74 B8R0.23 CC(=O)N(C)CC(=O)O 6236AE [1,0,0,0,0,1|1,0,0]=3 75 B8R0.23 CC(=O)N[C@@H](C)C(N)=O U537 [1,0,0,0,0,1|1,0,0]=3 76 B8R0.23 CC(NC(N)=O)C(=O)O 3202AL [1,0,0,0,0,1|1,0,0]=3 77 B8R0.23 NC(=O)[C@@H](N)CC(=O)O 6580AH [1,0,0,0,0,1|2,0,0]=4 78 B10R0.165 CC(O)(CC(=O)O)CC(=O)O 7481AF [0,0,0,0,0,2|1,0,0]=3 79 B10R0.165 CC(O)(CC(=O)O)CC(=O)O X3664 [0,0,0,0,0,2|1,0,0]=3