0 B9R0.43 COC(CNC(C)=O)OC D41591 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.11 CCCC[C@H](CC)CBr E67613 [1,0,0,0,0,0|2,0,1]=4 2 B8R0.11 CCCC[C@H](CC)CO E60781 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.11 CCCC[C@H](CC)C[Mg+] E31710 [1,0,0,0,0,0|2,0,1]=4 4 B10R0.45 COC(=O)CCC(OC)OC M69673 [0,1,0,0,0,0|3,0,0]=4 5 B10R1.25 CC[C@H]1CNC(=O)CC1=O E14290 [0,0,0,1,0,0|2,0,1]=4 6 B10R1.66 O=C(O)CCC1CCCC1 C69098 [0,0,0,1,0,0|2,0,0]=3 7 B10R1.66 O=C(O)CCN1CCCC1 P43845 [0,0,0,1,0,0|3,0,0]=4 8 B8R0.16 CCN(CC)CC(=O)[O-] S60805 [0,0,0,0,1,0|2,0,0]=3 9 B8R0.16 COC(CC(C)=O)OC D39203 [0,0,0,0,1,0|2,0,0]=3 10 B7R0.4 CC(=O)CCCCBr B41532 [2,0,0,0,0,0|2,0,0]=4 11 B7R0.4 CC(=O)OCCCBr B41266 [2,0,0,0,0,0|1,0,0]=3 12 B7R0.4 CC(=O)OCCCCl C39190 [2,0,0,0,0,0|1,0,0]=3 13 B7R0.4 CCCCOC(N)=O B39165 [2,0,0,0,0,0|1,0,0]=3 14 B7R0.6 CC(=O)NNC(C)C P40426 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.12 COCC(OC)OC T40436 [2,0,0,0,0,0|2,0,0]=4 16 B11R0.27 CC(=O)OCC(CBr)(CBr)CBr B65207 [0,2,0,0,0,0|2,0,0]=4 17 B9R1.1 CCC1CCC(=O)CC1 E39441 [1,0,0,1,0,0|1,0,0]=3 18 B9R1.1 NC[C@H]1CCC(=O)NC1 A10714 [1,0,0,1,0,0|2,0,0]=4 19 B9R1.1 O=C1CC[C@H](CO)CN1 H38263 [1,0,0,1,0,0|2,0,0]=4 20 B9R1.35 CC(=O)N1CC[C@@H](O)C1 A7835 [1,0,0,1,0,0|2,0,0]=4 21 B9R1.35 CC(=O)N1CC[C@H](N)C1 A14633 [1,0,0,1,0,0|2,0,0]=4 22 B9R1.35 CC(=O)N1CC[C@H](O)C1 H41507 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.2 CCN1CCNC(=O)C1 E43465 [0,0,0,1,1,0|2,0,0]=4 26 B9R1.2 N#C[C@H]1CCCC(=O)C1 X46385 [0,0,0,1,1,0|1,0,1]=4 27 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,0,0,1,1,0|2,0,0]=4 28 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,0,0,1,1,0|2,0,0]=4 29 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,0,0,1,1,0|2,0,0]=4 30 B9R1.13 CC(=O)N[C@@H]1CCNC1 A14336 [0,0,0,1,1,0|2,0,0]=4 31 B9R1.13 CC(=O)N[C@H]1CCNC1 A14335 [0,0,0,1,1,0|2,0,0]=4 32 B9R1.13 CC(=O)N[C@H]1CCNC1 P63075 [0,0,0,1,1,0|2,0,0]=4 33 B9R1.13 O=C(Cl)OC1CCCC1 C43402 [0,0,0,1,1,0|1,0,0]=3 34 B9R1.13 O=C(O)CC1CCCC1 C16642 [0,0,0,1,1,0|1,0,0]=3 35 B9R1.13 O=C(O)CN1CCCC1 P41503 [0,0,0,1,1,0|2,0,0]=4 36 B9R1.13 O=C(O)CN1CCCC1 P43441 [0,0,0,1,1,0|2,0,0]=4 37 B9R1.13 O=C(O)C[C@@H]1CCCN1 H14057 [0,0,0,1,1,0|2,0,0]=4 38 B9R1.13 O=C(O)C[C@@H]1CCCN1 P41505 [0,0,0,1,1,0|2,0,0]=4 39 B9R1.13 O=C(O)C[C@@H]1CCNC1 P14180 [0,0,0,1,1,0|2,0,0]=4 40 B9R1.13 O=C(O)C[C@H]1CCCN1 H14056 [0,0,0,1,1,0|2,0,0]=4 41 B9R1.13 O=C(O)C[C@H]1CCCN1 P43445 [0,0,0,1,1,0|2,0,0]=4 42 B9R1.13 O=C(O)C[C@H]1CCCN1 P69047 [0,0,0,1,1,0|2,0,0]=4 43 B9R1.13 O=C(O)C[C@H]1CCNC1 P10341 [0,0,0,1,1,0|2,0,0]=4 44 B9R1.13 O=C(O)C[C@H]1CCNC1 P14181 [0,0,0,1,1,0|2,0,0]=4 45 B9R1.13 O=C(O)C[C@H]1CCNC1 P43442 [0,0,0,1,1,0|2,0,0]=4 46 B9R1.13 O=C(O)C[C@H]1CCOC1 X19979 [0,0,0,1,1,0|2,0,0]=4 47 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 H29811 [0,0,0,1,1,0|2,0,0]=4 48 B9R1.96 CCC1CN[C@@H]1C(=O)O A30119 [0,0,0,1,1,0|2,0,0]=4 49 B9R1.96 CCN1CC[C@H]1C(=O)O E29784 [0,0,0,1,1,0|2,0,0]=4 50 B9R1.128 O=C(O)CC1(CS)CC1 M62742 [0,0,0,1,1,0|2,0,0]=4 51 B11R1.3 CC(=O)N1CCC(CN)CC1 A13458 [0,0,0,1,0,1|2,0,0]=4 52 B11R1.3 CCC1CCC(C(=O)O)CC1 E50505 [0,0,0,1,0,1|2,0,0]=4 53 B11R1.3 CC[C@H]1CC[C@H](C(=O)O)CC1 E50506 [0,0,0,1,0,1|2,0,0]=4 54 B11R1.3 CNC1CCN(C(C)=O)CC1 M49578 [0,0,0,1,0,1|2,0,0]=4 55 B11R1.91 O=C(O)CCC1CCCCC1 C39553 [0,1,0,1,0,0|2,0,0]=4 56 B11R1.91 O=C(O)CCC1CCNCC1 P60724 [0,1,0,1,0,0|2,0,0]=4 57 B11R1.25 COC(=O)CC[C@H]1CCNC1 M6967 [0,1,0,1,0,0|2,0,0]=4 58 B11R1.25 COC(=O)CNC1CCCC1 M49568 [0,1,0,1,0,0|2,0,0]=4 59 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O A68102 [0,1,0,1,0,0|2,0,0]=4 60 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 A49572 [0,1,0,1,0,0|2,0,0]=4 61 B11R2.63 CN1C2CCC(=O)C1CC2 M14806 [0,0,0,2,0,0|2,0,0]=4 62 B11R2.748 O=C1C[C@]2(CCNC2)CN1 D12027 [0,0,0,2,0,0|2,0,0]=4 63 B7R0.2 CCC(=O)CC(C)=O H69646 [1,0,0,0,1,0|1,0,1]=4 64 B7R0.2 CCC(=O)OC(C)=O A41227 [1,0,0,0,1,0|1,0,1]=4 65 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,0,0,0,1,0|1,0,0]=3 66 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,0,0,0,1,0|2,0,0]=4 67 B7R0.15 CCC(CC)C(=O)[O-] M43580 [0,0,0,0,2,0|1,0,0]=3