0 B5R0.1 C=C(C)C#CC AT18764 [1,0,0,0,0,0|0,0,2]=3 1 B5R0.1 CCSC(=S)[S-] 78627 [1,0,0,0,0,0|2,1,0]=4 2 B5R0.1 C[S@](=O)CCN AT24515 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.2 CCOCC=O AT18655 [1,0,0,0,0,0|1,0,1]=3 4 B5R0.2 N#C\C=C\CBr AT10435 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.2 O=CCCCBr AT24507 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.3 C\C=C(/C)CCCC T72329 [0,1,0,0,0,0|1,0,1]=3 7 B7R0.5 C\C=C\[C@H](C)C(=O)O AC9353 [0,1,0,0,0,0|0,0,2]=3 8 B7R1.1 C=CN1CCCC1 C11100 [0,0,0,1,0,0|2,0,1]=4 9 B7R1.1 O=CC1=CC=NO1 C73163 [0,0,0,1,0,0|2,0,1]=4 10 B7R1.1 O=CC1=NON=C1 D74167 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.1 O=CC1=NSN=C1 AT12124 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.1 O=C[C@@H]1CCCO1 98506 [0,0,0,1,0,0|1,0,1]=3 13 B7R1.1 O=C[C@@H]1CCCO1 98507 [0,0,0,1,0,0|1,0,1]=3 14 B7R1.1 O=C[C@H]1CCOC1 58457 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.1 O=C[C@H]1CCOC1 58458 [0,0,0,1,0,0|1,0,2]=4 16 B7R1.2 CC1=CN(N)C=C1 AT24000 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.4 CC1=C(Br)SN=C1 C15876 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.4 CC1=C(N)SN=C1 AT21117 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.4 CC1=CON=C1Br 95082 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.4 C[C@@H]1NCCC1=O AT25613 [0,0,0,1,0,0|1,0,1]=3 21 B7R1.4 C[C@H]1CCNC1=O D72756 [0,0,0,1,0,0|1,0,2]=4 22 B7R1.4 O=C1CCNC1=O AT24684 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.22 O=CC(=O)C1CC1 D74797 [0,0,0,1,0,0|1,0,1]=3 24 B4R0.1 CN(N)C=O D74578 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.4 CC(=O)CCCN C77428 [1,1,0,0,0,0|0,0,1]=3 26 B6R0.4 NC\C=C/C(=O)O AT20734 [1,1,0,0,0,0|1,0,1]=4 27 B6R0.4 NC\C=C\C(=O)O AT20733 [1,1,0,0,0,0|1,0,1]=4 28 B6R0.6 O=CNCCCF AT22548 [1,1,0,0,0,0|1,0,1]=4 29 B8R0.3 CCOC(=O)C(C)=[N+]=[N-] AT25590 [0,2,0,0,0,0|2,0,0]=4 30 B8R0.6 CCCCOC(=O)C=O 39366 [0,2,0,0,0,0|1,0,1]=4 31 B8R0.8 CCCCC(=O)C(=O)[O-] D88060 [0,2,0,0,0,0|1,0,1]=4 32 B8R0.12 CCC[C@](C)(N)C(=O)O AT19790 [0,2,0,0,0,0|0,0,2]=4 33 B6R1.2 O=C1C=COC1 D75288 [1,0,0,1,0,0|1,0,1]=4 34 B6R1.5 O=C1C[C@H](F)N1 D72810 [1,0,0,1,0,0|2,0,0]=4 35 B6R1.5 OC1=C[C@@H](F)C1 F18634 [1,0,0,1,0,0|1,0,1]=4 36 B6R1.7 CC1(C=O)CC1 90939 [1,0,0,1,0,0|0,0,1]=3 37 B8R1.1 CC1=CC(C=O)=NS1 F14135 [0,1,0,1,0,0|1,0,1]=4 38 B8R1.1 CC1=CC(CN)=CS1 D76884 [0,1,0,1,0,0|0,1,1]=4 39 B8R1.1 CC1=COC(C=O)=C1 P11782 [0,1,0,1,0,0|0,0,2]=4 40 B8R1.1 CC1=COC(CN)=C1 P11789 [0,1,0,1,0,0|0,0,2]=4 41 B8R1.1 CC1=COC(CN)=N1 72853 [0,1,0,1,0,0|1,0,1]=4 42 B8R1.1 CCC1=CC=C(N)S1 AT14665 [0,1,0,1,0,0|2,0,0]=4 43 B8R1.1 CCC1=NC=C(Br)O1 AT18672 [0,1,0,1,0,0|2,0,0]=4 44 B8R1.1 CN1N=CC(C=O)=N1 AT25227 [0,1,0,1,0,0|2,0,0]=4 45 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,1,0,1,0,0|1,0,1]=4 46 B8R1.18 CN1C[C@@H](N)CC1=O AT19104 [0,1,0,1,0,0|1,0,1]=4 47 B8R1.18 CN1C[C@@H](N)CC1=O AT19105 [0,1,0,1,0,0|1,0,1]=4 48 B8R1.18 CN1C[C@@H](N)CC1=O AT23597 [0,1,0,1,0,0|1,0,1]=4 49 B8R1.18 CN1C[C@@H](N)CC1=O AT23598 [0,1,0,1,0,0|1,0,1]=4 50 B8R1.18 CN1C[C@@H](O)CC1=O AT19112 [0,1,0,1,0,0|1,0,1]=4 51 B8R1.18 CN1C[C@@H](O)CC1=O AT19115 [0,1,0,1,0,0|1,0,1]=4 52 B8R1.18 CN1C[C@@H](O)CC1=O AT19117 [0,1,0,1,0,0|1,0,1]=4 53 B8R1.18 CN1C[C@@H](S)CC1=O AT19213 [0,1,0,1,0,0|1,0,1]=4 54 B8R1.18 C[C@@H]1NC(=O)CC1=O D72747 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.18 C[C@@H]1NC(=S)NC1=O D73770 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12376 [0,1,0,1,0,0|0,0,2]=4 57 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12377 [0,1,0,1,0,0|0,0,2]=4 58 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT23983 [0,1,0,1,0,0|0,0,2]=4 59 B8R1.2 O=C[C@H]1CCCOC1 AT10090 [0,1,0,1,0,0|0,0,2]=4 60 B8R1.2 O=C[C@H]1CCCOC1 AT10091 [0,1,0,1,0,0|0,0,2]=4 61 B8R1.2 OCC1=CCCOC1 AT26645 [0,1,0,1,0,0|0,0,2]=4 62 B8R1.5 O=C1NCCC=C1Br AC9842 [0,1,0,1,0,0|1,0,0]=3 63 B8R1.5 O=C1NCCC=C1Cl 88829 [0,1,0,1,0,0|1,0,0]=3 64 B8R1.5 O=C1NCCOC1=O P10038 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.38 COC(=O)C1=CCC1 P16819 [0,1,0,1,0,0|2,0,0]=4 66 B8R1.50 CC1=C(I)N(C)N=C1 W18558 [0,1,0,1,0,0|2,0,0]=4 67 B8R1.50 CC1=CNN(C)C1=O AT14042 [0,1,0,1,0,0|1,0,0]=3 68 B8R1.50 CN1CCC(=O)C1=O C77472 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.50 CN1CC[C@H](N)C1=O P18866 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.50 CN1CC[C@H](O)C1=O AT18767 [0,1,0,1,0,0|1,0,1]=4 71 B8R1.50 CN1CC[C@H](O)C1=O D76675 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.7 CC(=O)[C@@H]1CCCO1 74399 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.7 O=C(O)[C@@H]1C=CCC1 E72837 [0,1,0,1,0,0|0,0,2]=4 74 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 37682 [0,1,0,1,0,0|0,0,2]=4 75 B8R1.30 CC1CC1(C)C(=O)O W16204 [0,1,0,1,0,0|0,0,2]=4 76 B8R1.6 CCOC1CC(=O)C1 D75215 [0,1,0,1,0,0|1,0,1]=4 77 B8R1.11 CC1=C(C=O)C=NO1 AT19886 [0,1,0,1,0,0|2,0,0]=4 78 B8R1.11 CC1=C(C=O)SN=C1 AT21137 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.11 CC1=CON=C1CN 95087 [0,1,0,1,0,0|1,0,1]=4 80 B8R1.11 CC1=NOC=C1C=O C77412 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.11 CCC1=NOC=C1N AT19803 [0,1,0,1,0,0|1,0,1]=4 82 B8R1.11 CC[C@@H]1NCCC1=O AT25614 [0,1,0,1,0,0|1,0,1]=4 83 B8R1.11 O=C1CCCN1CO D86008 [0,1,0,1,0,0|1,0,1]=4 84 B8R1.60 CSC1(C=O)CCC1 AT20158 [0,1,0,1,0,0|0,0,2]=4 85 B8R1.60 O=CC1(CF)CCC1 AT19769 [0,1,0,1,0,0|0,0,2]=4 86 B8R2.38 O=C1CC[C@@H]2C[C@H]12 E73217 [0,0,0,2,0,0|0,0,2]=4