0 B7R0.7 CCC[C@H](O)COC D77523 [0,0,0,0,0,0|1,1,2]=4 1 B6R0.1 COCC(=O)CBr AT12825 [1,0,0,0,0,0|1,1,0]=3 2 B8R0.1 CCOC(=O)\C=C\CO AT14907 [0,1,0,0,0,0|1,0,1]=3 3 B8R0.1 N#CCC(=O)OCCN D76753 [0,1,0,0,0,0|2,0,0]=3 4 B8R0.1 N#CCC(=O)OCCN D76754 [0,1,0,0,0,0|2,0,0]=3 5 B8R0.1 NOCC(=O)NCCO AT10370 [0,1,0,0,0,0|2,1,0]=4 6 B8R0.3 C=C(CF)C(=O)OCC C91938 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.3 CCOC(=O)C(C)=[N+]=[N-] AT25590 [0,1,0,0,0,0|2,0,1]=4 8 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.11 CC[C@@H]1NCCC1=O AT25614 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.11 CN[C@H]1CCNC1=O AT19094 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.11 O=C1CCCN1CO D86008 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.18 C[C@@H]1NC(=O)CC1=O D72747 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90246 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.37 O=C(OCCl)C1CC1 D85989 [0,0,0,1,0,0|2,0,0]=3 15 B5R0.2 CCNCCS AT25561 [2,0,0,0,0,0|1,0,1]=4 16 B5R0.2 CCOCC=O AT18655 [2,0,0,0,0,0|2,0,0]=4 17 B5R0.3 O=C(CO)CBr AC6051 [2,0,0,0,0,0|1,1,0]=4 18 B7R0.3 CCONC(=O)CO AT24923 [1,1,0,0,0,0|0,1,0]=3 19 B7R0.3 COC(=O)C#CCN AT20732 [1,1,0,0,0,0|1,0,1]=4 20 B7R0.3 O=C(CO)NCCO D86391 [1,1,0,0,0,0|1,1,0]=4 21 B7R0.10 COC(=O)[C@@H](F)CN 94838 [1,1,0,0,0,0|2,0,0]=4 22 B7R0.10 COC(=O)[C@@H](F)CN AT15554 [1,1,0,0,0,0|2,0,0]=4 23 B7R0.10 COC(=O)[C@@H](N)CF AT23056 [1,1,0,0,0,0|2,0,0]=4 24 B9R0.34 CCOC(=O)CC(=O)CO D75487 [0,2,0,0,0,0|1,0,0]=3 25 B9R0.34 CCOC(=O)C[C@H](C)CI AT23325 [0,2,0,0,0,0|1,0,0]=3 26 B9R0.34 CCOC(=O)C[C@H](N)CF AT24446 [0,2,0,0,0,0|1,0,0]=3 27 B9R0.34 CCOC(=O)C[C@H](O)CO C11381 [0,2,0,0,0,0|1,0,0]=3 28 B9R0.35 CC#CC(=O)C(=O)OCC AT16811 [0,2,0,0,0,0|1,0,1]=4 29 B9R0.6 CCOC(=O)[C@@H](C)C(=O)O C91037 [0,2,0,0,0,0|2,0,0]=4 30 B9R0.44 CC#CC(=O)OC(C)(C)C AC8571 [0,2,0,0,0,0|1,0,1]=4 31 B9R0.44 CCOC(=O)CC(C)(C)F AT22077 [0,2,0,0,0,0|1,0,0]=3 32 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [1,0,0,1,0,0|2,0,0]=4 33 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [1,0,0,1,0,0|2,0,0]=4 34 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.4 C[C@@H]1NCCC1=O AT25613 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.4 C[C@H]1CCNC1=O D72756 [1,0,0,1,0,0|1,0,0]=3 39 B7R1.4 C[C@H]1CONC1=O D73580 [1,0,0,1,0,0|1,1,0]=4 40 B7R1.22 COC(=O)[C@@H]1CN1 63808 [1,0,0,1,0,0|1,0,0]=3 41 B7R1.22 COC(=O)[C@@H]1CN1 63810 [1,0,0,1,0,0|1,0,0]=3 42 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.2 NC[C@H]1CCCC(=O)N1 F20761 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.2 O=C1CCC[C@H](CO)N1 C14538 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.2 O=C1CCC[C@H](CO)N1 P11606 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.2 O=C1COC[C@H](CO)N1 AT10103 [0,1,0,1,0,0|1,1,0]=4 47 B9R1.2 O=C1C[C@@H](CBr)CCN1 AC8741 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.15 CO[C@H]1COCCC1=O D75195 [0,1,0,1,0,0|1,1,0]=4 49 B9R1.22 CCN1C[C@@H](O)CC1=O AT19120 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 81440 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.33 CCN[C@H]1CCNC1=O AT19099 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.33 NCC[C@H]1CCNC1=O AT19079 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.48 C[C@H]1CC(=O)NCCN1 12217 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.48 C[C@H]1CC(=O)NCCN1 92001 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.48 N[C@H]1CCCNC(=O)C1 F19647 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.75 CCNC(=O)NC1CC1 AT23682 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.75 CCOC(=O)C[C@H]1CO1 A11336 [0,1,0,1,0,0|0,1,0]=3 58 B9R1.183 CCOC(=O)C1CC1O 92030 [0,1,0,1,0,0|1,0,0]=3 59 B9R1.132 CCN1CC[C@H](N)C1=O AT19096 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.132 CN[C@H]1CCN(C)C1=O AT19098 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.34 CC1=C[C@@H](C)CC(=O)C1 AC6518 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 F31011 [0,1,0,1,0,0|2,0,0]=4 63 B9R2.21 O=C1CC2CC2CN1 P19558 [0,0,0,2,0,0|2,0,0]=4 64 B9R2.39 O=C1CN2CCC1C2 D76671 [0,0,0,2,0,0|2,0,0]=4 65 B9R2.20 O=C1NC[C@@H]2CC[C@H]12 AT20240 [0,0,0,2,0,0|2,0,0]=4 66 B9R2.20 O=C1OC[C@@H]2CC[C@H]12 E72542 [0,0,0,2,0,0|1,0,0]=3 67 B9R2.33 O=C1CC2CCC2C1 E72896 [0,0,0,2,0,0|2,0,0]=4