0 B8R0.34 CCC(C)(O)CC(=O)O 6060AL [0,0,0,0,0,0|3,0,0]=3 1 B7R0.2 CCC(C)OC(C)=O 7525AF [1,0,0,0,0,0|2,0,0]=3 2 B7R0.2 CCC(N)CC(=O)O W4035 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.2 CCN(C)CC(=O)O 9048AE [1,0,0,0,0,0|3,0,0]=4 4 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [1,0,0,0,0,0|2,0,0]=3 5 B7R0.2 CNC(C)CC(C)C 2627AF [1,0,0,0,0,0|2,0,1]=4 6 B7R0.9 C=C(C)O[Si](C)(C)C 8100AL [1,0,0,0,0,0|2,1,0]=4 7 B7R0.9 CC(C)(C)NC(N)=O 7334AF [1,0,0,0,0,0|2,0,0]=3 8 B7R0.9 CC(C)=CC(C)(C)C 7955AF [1,0,0,0,0,0|1,0,1]=3 9 B9R0.22 CCC(C)(C)NC(=O)CCl 2332AE [0,1,0,0,0,0|2,0,0]=3 10 B9R0.58 CCCC(C)(O)CC(=O)O 8750AB [0,1,0,0,0,0|3,0,0]=4 11 B9R1.66 CC1(C)CC(=O)CCO1 V2429 [0,0,0,1,0,0|0,1,0]=2 12 B9R1.66 CC1(C)CC(I)CCO1 2840AJ [0,0,0,1,0,0|1,1,1]=4 13 B9R1.66 CC1(C)CC(O)CCO1 1322AJ [0,0,0,1,0,0|0,1,2]=4 14 B9R1.66 CC1(O)CCOC(=O)C1 I616 [0,0,0,1,0,0|3,0,0]=4 15 B7R0.13 C=CC(C)(C)C(=O)O 0670AA [0,0,0,0,1,0|2,0,1]=4 16 B7R0.13 CC(=O)C(C)(C)C#N W5860 [0,0,0,0,1,0|2,0,0]=3 17 B7R0.13 CC(C)(C#N)C(=O)O 1332AB [0,0,0,0,1,0|3,0,0]=4 18 B7R0.13 CC(C)(CF)C(=O)O 9836AB [0,0,0,0,1,0|3,0,0]=4 19 B7R0.13 CC(C)(CN)C(=O)O 2121AJ [0,0,0,0,1,0|3,0,0]=4 20 B7R0.13 CCC(C)(C)C(C)=O 0596AB [0,0,0,0,1,0|1,0,0]=2 21 B7R0.13 CC[C@@](C)(N)C(=O)O Q389 [0,0,0,0,1,0|3,0,0]=4 22 B6R0.2 CC(=O)NC(C)C X8984 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.2 CC(C)CC(C)N X3873 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.2 CC(C)NC(N)=O X3415 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.2 CC(C)OC(N)=O 7274AF [2,0,0,0,0,0|2,0,0]=4 26 B6R0.2 CC(Cl)CC(=O)O 7238AF [2,0,0,0,0,0|2,0,0]=4 27 B6R0.2 CC(N)CC(=O)O 3162AL [2,0,0,0,0,0|2,0,0]=4 28 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.2 C[C@H](N)CC(=O)O W5861 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 CCCSC(C)=O R568 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.4 CSCCC(C)=O L760 [2,0,0,0,0,0|0,0,0]=2 32 B6R0.5 C=CCC(C)(C)O 1796AJ [2,0,0,0,0,0|0,1,1]=4 33 B6R0.5 CC(C)(C)NC=O 8674AL [2,0,0,0,0,0|1,0,0]=3 34 B6R0.5 CCCC(C)(C)C 5139AL [2,0,0,0,0,0|0,0,1]=3 35 B6R0.5 CCCC(C)(C)O 5708AL [2,0,0,0,0,0|0,1,1]=4 36 B6R0.5 CCOC(C)(C)C 7559AF [2,0,0,0,0,0|1,0,1]=4 37 B6R0.5 CNCC(C)(C)O 1773AJ [2,0,0,0,0,0|1,1,0]=4 38 B6R0.5 COCC(C)(C)O 1642AL [2,0,0,0,0,0|1,1,0]=4 39 B6R0.5 C[N+](C)(C)CC=O 0004AQ [2,0,0,0,0,0|1,0,0]=3 40 B6R0.5 C\C=N\C(C)(C)C 0877AC [2,0,0,0,0,0|1,0,0]=3 41 B6R0.8 CNC(C)(C)CO 5580AJ [2,0,0,0,0,0|1,0,1]=4 42 B6R0.8 COC(C)(C)CN 0561AA [2,0,0,0,0,0|1,1,0]=4 43 B6R0.8 COC(C)(C)CN 4739AC [2,0,0,0,0,0|1,1,0]=4 44 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E108 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O 9212AJ [1,1,0,0,0,0|2,0,0]=4 46 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O V8168 [1,1,0,0,0,0|2,0,0]=4 47 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O X5876 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O 5707AB [1,1,0,0,0,0|1,1,0]=4 49 B8R0.19 CCC(C)NC(=O)CCl 0194AE [1,1,0,0,0,0|2,0,0]=4 50 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [1,1,0,0,0,0|2,0,0]=4 51 B8R0.27 CC(=O)N(C)[Si](C)(C)C 8608AL [1,1,0,0,0,0|1,1,0]=4 52 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 1248AL [1,1,0,0,0,0|1,0,0]=3 53 B8R0.27 CC(C)(F)C(Br)C(=O)O 4523AE [1,1,0,0,0,0|2,0,0]=4 54 B10R0.141 COC(=O)C(C)(C)CC(=O)O W5470 [0,2,0,0,0,0|1,1,0]=4 55 B8R1.4 CC1CC(=O)CCN1 6568AA [1,0,0,1,0,0|1,0,0]=3 56 B8R1.4 CC1CC(=O)CCO1 3309AA [1,0,0,1,0,0|0,1,0]=3 57 B8R1.34 O=C(O)CC1CCC1 W7672 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.77 CC1(C)C[C@@H]1C(=O)O Z4170 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.72 CC1(C)CCCNC1 Y8537 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.72 CC1(C)CNCCO1 7349AA [1,0,0,1,0,0|1,1,0]=4 61 B8R1.72 CC1(C)COCCN1 W7216 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.63 CNC1(C(=O)O)CC1 Z6018 [0,0,0,1,1,0|2,0,0]=4 63 B8R1.78 CC1(C(=O)O)CCC1 Z4598 [0,0,0,1,1,0|2,0,0]=4 64 B10R1.128 CC1(C)SCN[C@H]1C(=O)O 4427AH [0,1,0,1,0,0|1,0,0]=3 65 B10R1.329 CC1(C)CC(=O)CC(=O)N1 W6723 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.329 CC1=CC(C)(C)CC(C)=C1 4484AL [0,1,0,1,0,0|2,0,0]=4 67 B10R1.329 CC1=CC(O)CC(C)(C)C1 C423 [0,1,0,1,0,0|2,0,0]=4 68 B6R0.3 CC(=O)C(C)C#N 6171AB [1,0,0,0,1,0|2,0,0]=4 69 B6R0.3 CNC(C)C(=O)O 0549AP [1,0,0,0,1,0|2,0,0]=4 70 B6R0.7 CC(C)(C)C(=O)[O-] 7339AJ [1,0,0,0,1,0|1,0,0]=3 71 B6R0.7 CC(C)(C)C(=O)[O-] 7340AJ [1,0,0,0,1,0|1,0,0]=3 72 B6R0.7 CC(C)(F)C(=O)O 7217AE [1,0,0,0,1,0|2,0,0]=4 73 B6R0.7 CC(N)C(C)(C)C 2177AE [1,0,0,0,1,0|1,0,1]=4 74 B8R0.29 CC(=O)OC[Si](C)(C)C 9323AL [1,0,0,0,0,1|0,1,0]=3 75 B8R0.29 CC(C)(C)OCC(=O)O Z4086 [1,0,0,0,0,1|1,0,0]=3