0 B8R0.37 CC(C)(C(=O)Cl)C(=O)Cl 7717AL [0,0,0,0,0,0|3,0,0]=3 1 B8R0.37 CC(C)C(C)(N)C(=O)O V4779 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.37 CC(C)[C@@](C)(N)C(=O)O Z5916 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.37 CC(C)[C@](C)(N)C(=O)O Z5917 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.37 CC(Cl)C(Cl)(Cl)C(=O)O X0222 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.13 C=CC(C)(C)C(=O)O 0670AA [1,0,0,0,0,0|1,0,1]=3 6 B7R0.13 CC(=O)C(C)(C)C#N W5860 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.13 CC(C)(C#N)C(=O)O 1332AB [1,0,0,0,0,0|2,0,1]=4 8 B7R0.13 CC(C)(CF)C(=O)O 9836AB [1,0,0,0,0,0|2,0,1]=4 9 B7R0.13 CC(C)(CN)C(=O)O 2121AJ [1,0,0,0,0,0|2,0,1]=4 10 B7R0.13 CCC(C)(C)C(C)=O 0596AB [1,0,0,0,0,0|2,0,1]=4 11 B7R0.13 CCC(F)(F)C(=O)O 8005AD [1,0,0,0,0,0|2,0,1]=4 12 B7R0.13 CC[C@@](C)(N)C(=O)O Q389 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.16 CC(=O)N(C)C(C)=O Y3328 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.16 CC(C)C(C)C(=O)O 6994AA [1,0,0,0,0,0|1,0,1]=3 15 B7R0.16 CC(C)[C@@H](Br)C(=O)O N107 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.16 CC(C)[C@H](Br)C(=O)O M886 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.16 C[C@@H](C(=O)O)N(C)C 1280AL [1,0,0,0,0,0|2,0,0]=3 18 B7R0.16 NC(=O)C(N)C(N)=O W7407 [1,0,0,0,0,0|3,0,0]=4 19 B9R0.28 COC(=O)C(C)(C)C(=O)O X0146 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.28 COC(=O)C(C)(C)C(C)=O Z3692 [0,1,0,0,0,0|1,0,0]=2 21 B9R0.11 CC(C)CC(C)(N)C(=O)O 6630AH [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 B6R0.3 C=CN(C)C(C)=O V0612 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.3 CC(=O)C(C)C#N 6171AB [2,0,0,0,0,0|1,0,1]=4 25 B6R0.3 CC(CN)C(=O)O B714 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.3 CCC(Cl)C(=O)O 7236AF [2,0,0,0,0,0|1,0,1]=4 27 B6R0.3 CCC(O)C(=O)O Z2570 [2,0,0,0,0,0|0,0,1]=3 28 B6R0.3 CNC(C)C(=O)O 0549AP [2,0,0,0,0,0|1,0,0]=3 29 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [2,0,0,0,0,0|1,0,1]=4 30 B6R0.3 C[C@H](CN)C(=O)O 5992AA [2,0,0,0,0,0|1,0,1]=4 31 B6R0.3 C[C@H](CO)C(=O)O 9933AA [2,0,0,0,0,0|0,0,2]=4 32 B6R0.3 NCC(O)C(=O)O X2972 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.7 CC(C)(C)C(=O)[O-] 7339AJ [2,0,0,0,0,0|1,0,1]=4 34 B6R0.7 CC(C)(C)C(=O)[O-] 7340AJ [2,0,0,0,0,0|1,0,1]=4 35 B6R0.7 CC(C)(F)C(=O)O 7217AE [2,0,0,0,0,0|1,0,0]=3 36 B6R0.2 CC(=O)NC(C)=O 7247AF [2,0,0,0,0,0|2,0,0]=4 37 B6R0.2 CC(Cl)CC(=O)O 7238AF [2,0,0,0,0,0|1,0,1]=4 38 B6R0.2 CC(N)CC(=O)O 3162AL [2,0,0,0,0,0|1,0,1]=4 39 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.2 C[C@H](N)CC(=O)O W5861 [2,0,0,0,0,0|1,0,1]=4 41 B8R0.12 CCOC(C)(C)C(=O)O 7496AA [1,1,0,0,0,0|1,0,1]=4 42 B8R0.13 CC[C@](C)(N)C(=O)OC 1282AL [1,1,0,0,0,0|1,0,1]=4 43 B8R0.13 CNC(C)(C)C(=O)OC 7644AB [1,1,0,0,0,0|2,0,0]=4 44 B8R0.36 CCC(Br)(CC)C(=O)O 5369AE [1,1,0,0,0,0|1,0,1]=4 45 B8R0.36 CCC(N)(CC)C(=O)O V4713 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.2 [C@@H](O)(C(=O)OC)C(C)C 9861AL [1,1,0,0,0,0|1,0,1]=4 47 B8R0.18 CCC(C(C)=O)C(=O)[O-] M209 [1,1,0,0,0,0|0,0,1]=3 48 B8R0.18 CN[C@H](C(=O)O)C(C)C 7209AH [1,1,0,0,0,0|1,0,1]=4 49 B8R0.18 CON(C(C)=O)C(C)=O 8592AL [1,1,0,0,0,0|2,0,0]=4 50 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 1248AL [1,1,0,0,0,0|1,0,1]=4 51 B10R0.141 COC(=O)C(C)(C)CC(=O)O W5470 [0,1,0,0,0,1|1,0,0]=3 52 B10R0.36 CCOC(=O)C(C)(C)C(=O)Cl 9839AB [0,2,0,0,0,0|2,0,0]=4 53 B10R0.36 CCOC(=O)C(Cl)(Cl)C(C)=O 6685AE [0,2,0,0,0,0|2,0,0]=4 54 B10R0.142 CCC(=O)C(F)(F)C(=O)OC 6613AD [0,2,0,0,0,0|2,0,0]=4 55 B10R0.142 COC(=O)C(C)(C)C(=O)OC X0315 [0,2,0,0,0,0|1,0,0]=3 56 B10R0.142 COC(=O)C(F)(F)C(=O)OC 2011AE [0,2,0,0,0,0|2,0,0]=4 57 B8R1.63 CNC1(C(=O)O)CC1 Z6018 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.78 CC1(C(=O)O)CCC1 Z4598 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.78 NC1(C(=O)O)CCC1 X3059 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.78 NC1(C(=O)O)CCC1 X3158 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.78 O=C(O)C1(O)CCC1 2903AE [1,0,0,1,0,0|0,0,1]=3 62 B8R1.50 CC1=C(O)COC1=O 2737AL [1,0,0,1,0,0|0,0,2]=4 63 B8R1.50 CN1C(=O)CSC1=O 8285AA [1,0,0,1,0,0|1,1,0]=4 64 B8R1.50 O=C1CCC(=O)N1O 4715AH [1,0,0,1,0,0|2,0,0]=4 65 B8R1.50 O=C1COC(=O)C1Cl 6019AL [1,0,0,1,0,0|1,0,0]=3 66 B8R1.77 CC1(C)C[C@@H]1C(=O)O Z4170 [1,0,0,1,0,0|1,0,1]=4 67 B10R1.470 CC1=NOC(C)(C(=O)O)C1 2824AF [0,0,0,1,0,1|1,0,0]=3 68 B10R1.114 CC1(C)C(=O)CCCC1=O 1856AL [0,1,0,1,0,0|2,0,0]=4 69 B10R1.291 CC(=O)C1(Cl)CCOC1=O 9391AD [0,1,0,1,0,0|1,0,0]=3 70 B10R1.425 COC(=O)C1(C(C)=O)CC1 Y1519 [0,1,0,1,0,0|1,0,0]=3 71 B8R0.34 CCC(C)(O)CC(=O)O 6060AL [1,0,0,0,0,1|0,0,1]=3 72 B8R0.23 CC(C)CC(O)C(=O)O C466 [1,0,0,0,0,1|1,0,1]=4 73 B8R0.23 CC(C)C[C@@H](O)C(=O)O V4198 [1,0,0,0,0,1|1,0,1]=4 74 B8R0.23 CC(NC(N)=O)C(=O)O 3202AL [1,0,0,0,0,1|1,0,0]=3 75 B8R0.23 C[C@@H](CC(=O)O)C(=O)O V1342 [1,0,0,0,0,1|1,0,0]=3 76 B8R0.23 NC(CC(=O)O)C(=O)[O-] 3294AL [1,0,0,0,0,1|2,0,0]=4 77 B8R0.23 NC(CC(=O)[O-])C(=O)O X5496 [1,0,0,0,0,1|2,0,0]=4 78 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 6072AH [1,0,0,0,0,1|2,0,0]=4 79 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 7299AH [1,0,0,0,0,1|2,0,0]=4 80 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 7654AH [1,0,0,0,0,1|2,0,0]=4 81 B8R0.23 O=C(O)CC(Br)C(=O)O S343 [1,0,0,0,0,1|2,0,0]=4 82 B8R0.23 O=C(O)CC(O)C(=O)O 8844AL [1,0,0,0,0,1|1,0,0]=3 83 B10R0.165 CC(O)(CC(=O)O)CC(=O)O 7481AF [0,0,0,0,0,2|1,0,0]=3