0 B8R0.28 O=C(O)CCCN(C)C AK-50053 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 CC(OCCCCl)=O AK167628 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.4 NC(OCCCC)=O AK116656 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.4 O=C(O)CCCCO AK198817 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.53 CC(C)CC(O)CC(C)C AK114199 [0,1,0,0,0,0|1,0,2]=4 5 B9R1.35 CC(N1CC(N)CC1)=O AK148501 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.35 CC(N1CC(O)CC1)=O AK-83647 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.35 CC(N1C[C@H](N)CC1)=O AK144251 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.35 NC1CN(C(C)C)CC1 AK-33968 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.49 CN1CCCC(CC1)O AK-39765 [0,0,0,1,0,0|1,0,1]=3 10 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.66 OC1CC(C)(C)NCC1 AK158084 [0,0,0,1,0,0|1,0,1]=3 12 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [0,0,0,0,1,0|2,0,1]=4 13 B7R0.6 C[S+](CCC(O)=O)C AK114711 [0,0,0,0,1,0|2,0,1]=4 14 B7R0.6 O=C(O)CCN(C)C AK-33348 [0,0,0,0,1,0|2,0,1]=4 15 B6R0.4 CC(CCCCl)=O AK-48368 [2,0,0,0,0,0|2,0,0]=4 16 B6R0.4 CCCCC([O-])=O AK163205 [2,0,0,0,0,0|2,0,0]=4 17 B6R0.4 CN(C)CCCBr AK-35747 [2,0,0,0,0,0|2,0,0]=4 18 B6R0.4 CN(C)CCCCl AK-25287 [2,0,0,0,0,0|2,0,0]=4 19 B6R0.4 CN(C)CCCCl AK113440 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.4 CN(CCNC)C AK-64867 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.6 C\C=C\CCCO AK-46431 [2,0,0,0,0,0|0,0,0]=2 22 B6R0.6 O=CCCCCO AK-40206 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.6 OCCCCNC AK112657 [2,0,0,0,0,0|1,0,1]=4 24 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [1,1,0,0,0,0|2,0,0]=4 25 B8R0.7 CC(O)CCCCCC AK113715 [1,1,0,0,0,0|0,0,2]=4 26 B8R0.7 C[C@@H](O)CCCCCC AK115983 [1,1,0,0,0,0|0,0,2]=4 27 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [1,1,0,0,0,0|1,0,1]=4 28 B8R0.9 C=CC(OCC(O)C)=O AK110453 [1,1,0,0,0,0|1,0,1]=4 29 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O AK-23909 [0,1,0,0,1,0|2,0,0]=4 30 B10R0.65 CCC(O)(C)CCCC(C)C AK-81962 [0,2,0,0,0,0|0,0,2]=4 31 B8R1.4 O=C1NCCC(O)C1 AK-27778 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.7 O=C(C1CC=CC1)O AK-36334 [1,0,0,1,0,0|1,0,1]=4 35 B8R1.22 O=C1C=CCCCC1 AK-88461 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.22 O=C1OCCCCC1 AK164169 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.72 CC1(CCOCC1)O AK-31507 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.72 C[N+]1(C)CCCCC1 AK163545 [1,0,0,1,0,0|1,0,1]=4 39 B8R1.72 OC1(C)CCCCC1 AK161821 [1,0,0,1,0,0|0,0,2]=4 40 B8R1.72 OC1(C)CCNCC1 AK-79153 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.3 C1C(CCC(C1)O)N AK-39542 [0,0,0,1,1,0|1,0,1]=4 42 B8R1.3 CN1CCC(CC1)Cl AK-49095 [0,0,0,1,1,0|2,0,0]=4 43 B8R1.3 CN1CCC(N)CC1 AK-22084 [0,0,0,1,1,0|2,0,0]=4 44 B8R1.3 C[C@@H]1CO[C@@H](C)CN1 AK554540 [0,0,0,1,1,0|1,0,1]=4 45 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AK144819 [0,0,0,1,1,0|1,0,1]=4 46 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AK144820 [0,0,0,1,1,0|1,0,1]=4 47 B8R1.3 N[C@H]1CC[C@@H](C)CC1 AK139194 [0,0,0,1,1,0|1,0,1]=4 48 B8R1.3 N[C@H]1CC[C@@H](CC1)O AK-26050 [0,0,0,1,1,0|1,0,1]=4 49 B8R1.3 N[C@H]1CC[C@H](C)CC1 AK114539 [0,0,0,1,1,0|1,0,1]=4 50 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,0,0,1,1,0|2,0,0]=4 51 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,0,0,1,1,0|2,0,0]=4 52 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,0,0,1,1,0|2,0,0]=4 53 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,0,0,1,1,0|1,0,0]=3 54 B8R1.3 OC1CCC(O)CC1 AK114734 [0,0,0,1,1,0|1,0,1]=4 55 B8R1.3 OC1CCN(C)CC1 AK-32773 [0,0,0,1,1,0|1,0,0]=3 56 B8R1.3 OC1CCN(N)CC1 AK116503 [0,0,0,1,1,0|2,0,0]=4 57 B8R1.3 O[C@H]1CC[C@@H](N)CC1 AK-48343 [0,0,0,1,1,0|1,0,1]=4 58 B8R1.3 O[C@H]1CC[C@H](N)CC1 AK-39826 [0,0,0,1,1,0|1,0,1]=4 59 B8R1.3 O[C@H]1CC[C@H](O)CC1 AK115903 [0,0,0,1,1,0|1,0,1]=4 60 B8R1.23 CC(N1CC(O)C1)=O AK-40495 [0,0,0,1,1,0|2,0,0]=4 61 B8R1.23 O=C(C1CC(O)C1)O AK-51692 [0,0,0,1,1,0|2,0,0]=4 62 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O AK-67699 [0,0,0,1,1,0|2,0,0]=4 63 B8R1.23 O=C([C@H]1C[C@H](O)C1)O AK129703 [0,0,0,1,1,0|2,0,0]=4 64 B10R1.113 OC1CN(C(C)C)CCC1 AK-46875 [0,0,0,1,0,1|0,0,2]=4 65 B10R1.13 CC(C)N1CCC(O)CC1 AK-30193 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.13 CC1=CCC(C(C)=O)CC1 AK-49974 [0,1,0,1,0,0|0,0,2]=4 67 B10R1.13 OC1CCC(N(C)C)CC1 AK-88443 [0,1,0,1,0,0|1,0,1]=4 68 B10R1.329 OC1CC(C)(C)CC(C)C1 AK117244 [0,1,0,1,0,0|0,0,2]=4 69 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,0,0,0,2,0|2,0,0]=4 70 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,0,0,0,2,0|2,0,0]=4 71 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,0,0,0,2,0|1,0,1]=4 72 B6R0.2 NC(C)CC(C)C AK205814 [0,0,0,0,2,0|1,0,1]=4