0 B8R0.23 CC(C)CC(N)C(=O)O 00369 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.23 CC(C)CC(N)C(N)=O 08455 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.23 CC(C)C[C@@H](N)C(=O)O 00199 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.23 CC(C)C[C@@H](N)C(N)=O 03088 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.23 CC(C)C[C@@H](N)C(N)=O 08444 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.23 CC(C)C[C@@H](O)C(=O)O 14809 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.23 CC(C)C[C@H](N)C(=O)O 00200 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.23 CC(C)C[C@H](N)C(=O)O 29817 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.23 CC(C)C[C@H](N)C(=O)O 33065 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.23 CC(C)C[C@H](N)C(N)=O 03087 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.23 CC(C)C[C@H](N)C(N)=O 08821 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.23 CC(C)C[C@H](O)C(=O)O 06277 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.23 CC(C)OC(=O)[C@H](C)N 14881 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.23 O=C(O)CC(=O)C(=O)O 01460 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.2 CC(C)OC(=O)CN 12060 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.5 CCCC(=O)C(=O)[O-] 20956 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.5 CCCC(N)C(=O)O 06818 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.5 CCC[C@@H](N)C(=O)O 03406 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 CCC[C@H](N)C(=O)O 02041 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.5 CCC[C@H](N)C(N)=O 06143 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.5 CCOC(=O)C(C)=O 21912 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.5 CCOC(=O)C(C)N 06028 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.5 CCOC(=O)C(C)O 27780 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.5 CCOC(=O)[C@@H](C)N 12380 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 CCOC(=O)[C@H](C)N 03015 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.5 CNCC(=O)N(C)C 06367 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.6 CC(=O)CCC(C)=O 27195 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.6 CC(=O)CNC(C)=O 18453 [1,0,0,0,0,0|2,0,1]=4 28 B9R0.11 CC(C)CC(C)(N)C(=O)O 05774 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.11 CC(C)C[C@](C)(N)C(=O)O 14891 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.23 CC(C)C[C@H](N)C(=O)CCl 03378 [0,1,0,0,0,0|1,0,1]=3 31 B9R0.23 COC(=O)C(=O)CC(C)=O 24913 [0,1,0,0,0,0|1,0,1]=3 32 B9R0.23 COC(=O)C(N)CC(C)C 08456 [0,1,0,0,0,0|1,0,1]=3 33 B9R0.23 COC(=O)[C@@H](N)CC(C)C 01696 [0,1,0,0,0,0|1,0,1]=3 34 B9R0.23 COC(=O)[C@H](N)CC(C)C 03094 [0,1,0,0,0,0|1,0,1]=3 35 B9R0.39 CNC(CC(C)C)C(=O)O 06343 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.39 CN[C@@H](CC(C)C)C(=O)O 02658 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.57 CC(C)(C)CC(=O)C(=O)O 24192 [0,1,0,0,0,0|1,0,0]=2 38 B9R0.57 CC(C)(C)CC(N)C(=O)O 06236 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O 06235 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 06234 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.57 C[C@@H](N)C(=O)OC(C)(C)C 03269 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C 03014 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.112 N[C@@H](CC1CC1)C(=O)O 07175 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.112 N[C@H](CC1CC1)C(=O)O 11699 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.112 N[C@H](CC1CC1)C(=O)O 16791 [0,0,0,1,0,0|2,0,1]=4 46 B7R0.16 CC(C)=C(Cl)N(C)C 31461 [0,0,0,0,1,0|3,0,0]=4 47 B7R0.16 CC(C)C(N)C(=O)O 00627 [0,0,0,0,1,0|2,0,1]=4 48 B7R0.16 CC(C)[C@@H](N)C(=O)O 00316 [0,0,0,0,1,0|2,0,1]=4 49 B7R0.16 CC(C)[C@@H](N)C(N)=O 04459 [0,0,0,0,1,0|2,0,1]=4 50 B7R0.16 CC(C)[C@@H](O)C(=O)O 05646 [0,0,0,0,1,0|1,0,2]=4 51 B7R0.16 CC(C)[C@H](N)C(=O)O 00317 [0,0,0,0,1,0|2,0,1]=4 52 B7R0.16 CC(C)[C@H](N)C(N)=O 03166 [0,0,0,0,1,0|2,0,1]=4 53 B7R0.16 CC(C)[C@H](N)C(N)=O 06265 [0,0,0,0,1,0|2,0,1]=4 54 B7R0.16 CC(C)[C@H](O)C(=O)O 06278 [0,0,0,0,1,0|1,0,2]=4 55 B7R0.16 CN(C)C(=O)N(C)C 12714 [0,0,0,0,1,0|3,0,0]=4 56 B9R0.7 CC(C)CC[C@@H](N)C(=O)O 14266 [0,0,0,0,0,1|2,0,1]=4 57 B9R0.7 CC(C)CC[C@H](N)C(=O)O 07179 [0,0,0,0,0,1|2,0,1]=4 58 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 31962 [0,0,0,0,0,1|2,0,1]=4 59 B9R0.53 CC(C)C[C@H](N)CC(=O)O 12757 [0,0,0,0,0,1|2,0,1]=4 60 B9R0.53 C\C(N)=C\C(=O)OC(C)C 17189 [0,0,0,0,0,1|2,0,0]=3 61 B6R0.1 CNCC(=O)OC 03135 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.1 COC(=O)CCBr 06991 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.1 COC(=O)CCN 04408 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.2 CC(=O)CC(C)=O 02346 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.2 CC(N)CC(=O)O 21614 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.2 CC(O)CC(=O)[O-] 22037 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.2 C[C@@H](N)CC(=O)O 16636 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.2 C[C@H](N)CC(=O)O 12762 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.2 C[C@H](N)CC(=O)O 21056 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.3 CCC(=O)C(=O)[O-] 00470 [2,0,0,0,0,0|1,0,0]=3 71 B8R0.2 CC(C)[C@H](N)C(=O)CCl 14401 [1,1,0,0,0,0|1,0,1]=4 72 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O 06244 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O 14419 [1,1,0,0,0,0|2,0,0]=4 74 B8R0.2 COC(=O)C(N)C(C)C 12374 [1,1,0,0,0,0|1,0,0]=3 75 B8R0.2 COC(=O)[C@@H](N)C(C)C 01826 [1,1,0,0,0,0|1,0,0]=3 76 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O 03145 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O 05847 [1,1,0,0,0,0|2,0,0]=4 78 B8R0.2 COC(=O)[C@H](N)C(C)C 06014 [1,1,0,0,0,0|1,0,0]=3 79 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O 14934 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.2 COC(=O)[C@H](N)[C@H](C)O 06009 [1,1,0,0,0,0|2,0,0]=4 81 B8R0.5 CCOC(=O)CC(C)O 22039 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.3 CCCC(N)C(=O)OC 06036 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.3 CCC[C@H](N)C(=O)OC 06144 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.8 CN(C)C(=O)CCCCl 24320 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.29 CC(=O)ONC(C)(C)C 31264 [1,1,0,0,0,0|2,0,0]=4 86 B8R0.29 CC(C)CNS(C)(=O)=O 23312 [1,1,0,0,0,0|2,0,0]=4 87 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C 03093 [0,2,0,0,0,0|1,0,1]=4 88 B10R0.32 CCOC(=O)[C@H](N)CC(C)C 12381 [0,2,0,0,0,0|1,0,1]=4 89 B8R1.5 O=C1CCCCC1=O 02296 [1,0,0,1,0,0|0,0,0]=2 90 B10R1.329 CC1(C)CC(=O)CC(=O)C1 02303 [0,0,0,1,0,1|0,0,0]=2 91 B10R1.329 CC1(C)OC(=O)CC(=O)O1 24520 [0,0,0,1,0,1|2,0,0]=4