0 B6R0.2 C=C(I)CC(=O)O E73427 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.2 C[C@H](N)CN(C)C AT11416 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C=C(C)C#CC AT18764 [1,0,0,0,0,0|0,0,3]=4 3 B7R0.2 CN[C@@H](C)CC(=O)O D72538 [0,1,0,0,0,0|1,0,2]=4 4 B7R0.9 CP(C)(=O)CC(=O)O D76431 [0,1,0,0,0,0|2,0,1]=4 5 B7R1.2 CC1=NOC(Br)=C1 AT19745 [0,0,0,1,0,0|2,0,1]=4 6 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [0,0,0,1,0,0|1,0,2]=4 7 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [0,0,0,1,0,0|1,0,2]=4 8 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [0,0,0,1,0,0|1,0,2]=4 9 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [0,0,0,1,0,0|1,0,2]=4 10 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [0,0,0,1,0,0|1,0,2]=4 11 B7R1.2 O=C1CSC(=O)C1 AT24293 [0,0,0,1,0,0|2,0,1]=4 12 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [0,0,0,1,0,0|1,0,2]=4 13 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [0,0,0,1,0,0|1,0,2]=4 14 B7R1.16 CC1(O)CC(=O)C1 AT22537 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.20 NC(=O)CC1CC1 D72924 [0,0,0,1,0,0|1,0,2]=4 16 B7R1.20 O=C(Cl)OC1CC1 C77415 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.20 O=C(O)C=C1CC1 AT21198 [0,0,0,1,0,0|1,0,0]=2 18 B5R0.5 CC(=O)[C@H](C)N 91521 [0,0,0,0,1,0|1,0,1]=3 19 B5R0.5 CC(C)[C@H](C)N AC5874 [0,0,0,0,1,0|1,0,2]=4 20 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [0,0,0,0,1,0|2,0,1]=4 21 B4R0.1 CN(N)C=O D74578 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.1 COCC(=O)CBr AT12825 [1,1,0,0,0,0|1,0,1]=4 23 B6R0.4 CC(=O)CCCN C77428 [1,1,0,0,0,0|0,0,2]=4 24 B6R0.4 N#C\C=C\C(=O)O AC9289 [1,1,0,0,0,0|1,0,1]=4 25 B6R0.4 NC\C=C/C(=O)O AT20734 [1,1,0,0,0,0|1,0,0]=3 26 B6R0.4 NC\C=C\C(=O)O AT20733 [1,1,0,0,0,0|1,0,0]=3 27 B6R0.5 C[N+](C)(C)CC=O C77425 [1,1,0,0,0,0|1,0,1]=4 28 B8R0.9 COC(=O)\C=C\C(C)C D77192 [0,1,0,0,0,1|0,0,1]=3 29 B8R0.19 COC(=O)CC(=O)CF AT24447 [0,2,0,0,0,0|1,0,1]=4 30 B8R0.19 COC(=O)C[C@H](C)CBr AT23326 [0,2,0,0,0,0|0,0,2]=4 31 B8R0.19 COC(=O)C[C@H](C)CBr AT23327 [0,2,0,0,0,0|0,0,2]=4 32 B8R0.24 CS(C)(=O)=NC(=O)CN AT25745 [0,2,0,0,0,0|2,0,0]=4 33 B8R0.34 CC(=O)OC(C)(C)CO C90621 [0,2,0,0,0,0|1,0,1]=4 34 B6R1.2 CC1=NNCC1 D76466 [1,0,0,1,0,0|2,0,0]=4 35 B6R1.2 O=C1C=COC1 D75288 [1,0,0,1,0,0|1,0,0]=3 36 B6R1.8 C[C@H]1C[C@@H]1C=O AT23548 [1,0,0,1,0,0|0,0,2]=4 37 B6R1.4 NN1CCC1=O 33382 [0,0,0,1,1,0|2,0,0]=4 38 B6R1.4 N[C@H]1CCC1=O AT24523 [0,0,0,1,1,0|1,0,1]=4 39 B6R1.4 O=C1CC[C@@H]1O 94997 [0,0,0,1,1,0|1,0,1]=4 40 B8R1.3 CN1C=CC(=O)CC1 D73438 [0,0,0,1,0,1|1,0,0]=3 41 B8R1.51 CC1(C)CC(=O)NO1 D73554 [0,0,0,1,0,1|1,0,1]=4 42 B8R1.1 CC1=CC(C=O)=NS1 F14135 [0,1,0,1,0,0|2,0,0]=4 43 B8R1.1 CC1=CC(CN)=CS1 D76884 [0,1,0,1,0,0|0,1,1]=4 44 B8R1.1 CC1=COC(C=O)=C1 P11782 [0,1,0,1,0,0|1,0,1]=4 45 B8R1.1 CC1=COC(CN)=C1 P11789 [0,1,0,1,0,0|0,0,2]=4 46 B8R1.1 CC1=NSC(CO)=C1 AT21143 [0,1,0,1,0,0|1,1,0]=4 47 B8R1.1 O=C1C=C(CBr)ON1 D73595 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.1 O=C1CC[C@H](CBr)N1 W15281 [0,1,0,1,0,0|1,0,1]=4 49 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [0,1,0,1,0,0|0,0,2]=4 50 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [0,1,0,1,0,0|0,0,2]=4 51 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,1,0,1,0,0|0,0,2]=4 52 B8R1.18 CN1CC(=O)NC1=S D73591 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.18 CN1OC(=O)C=C1N AT19693 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.18 C[C@@H]1C[C@H](O)C(=O)N1 AT26252 [0,1,0,1,0,0|1,0,1]=4 55 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90246 [0,1,0,1,0,0|1,0,1]=4 56 B8R1.18 N[C@H]1CC(=O)NC1=O AT18961 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.18 N[C@H]1CC(=O)NC1=O AT18962 [0,1,0,1,0,0|2,0,0]=4 58 B8R1.18 N[C@H]1CC(=O)NC1=O AT18963 [0,1,0,1,0,0|2,0,0]=4 59 B8R1.18 N[C@H]1CC(=O)OC1=O AT25837 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.40 COC(=O)C=C1CC1 AT21192 [0,1,0,1,0,0|0,0,0]=2 61 B8R1.40 NCC(=O)NC1CC1 D76973 [0,1,0,1,0,0|1,0,1]=4 62 B8R1.42 CC(=O)OC1(C)CC1 D96854 [0,1,0,1,0,0|1,0,1]=4 63 B8R1.50 CC1=NSC(C)=C1N AT21115 [0,1,0,1,0,0|1,1,0]=4 64 B8R1.50 CN1CCC(=O)C1=O C77472 [0,1,0,1,0,0|1,0,0]=3 65 B8R2.38 O=C1CC[C@@H]2C[C@H]12 E73217 [0,0,0,2,0,0|0,0,2]=4