0 B10R1.329 O=C1CC(C)(C)CC(C)C1 AK122426 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.329 O=C1CC(CC(C)(C)C1)=O AK-33057 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.329 OC1CC(C)(C)CC(C)C1 AK117244 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.34 CC1CC(C)CC(O)C1 AK103636 [1,0,0,0,0,0|0,0,0]=1 4 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [1,0,0,0,0,0|0,0,2]=3 5 B9R1.66 O=C1CC(C)(C)NCC1 AK158739 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.66 O=C1CC(C)(C)OCC1 AK-25320 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.66 OC1CC(C)(C)NCC1 AK158084 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.1361 CC1CC(C)(C)CC(=O)C1=O AK109604 [0,1,0,0,0,0|0,0,3]=4 9 B11R1.1362 O=C1CC(C)(C)CC(C)(C)C1 AK126690 [0,1,0,0,0,0|0,0,2]=3 10 B11R1.1362 O=C1CC(C)(C)NC(C)(C)C1 AK-88800 [0,1,0,0,0,0|1,0,2]=4 11 B11R1.1362 O=C1CC(C)(C)NC(C)(C)C1 AK114147 [0,1,0,0,0,0|1,0,2]=4 12 B9R0.53 CC(C)CC(N)CC(O)=O AK-34862 [0,0,1,0,0,0|2,0,1]=4 13 B9R0.53 CC(C)CC(O)CC(C)C AK114199 [0,0,1,0,0,0|0,0,0]=1 14 B9R0.53 CC(C)C[C@H](N)CC(O)=O AK-44602 [0,0,1,0,0,0|2,0,1]=4 15 B9R0.53 CC(C)C[C@H](N)CC(O)=O AK-89143 [0,0,1,0,0,0|2,0,1]=4 16 B9R0.53 OP(OC(C)C)OC(C)C AK114245 [0,0,1,0,0,0|3,0,0]=4 17 B9R0.58 CCCC(C)(O)CC(O)=O AK-68251 [0,0,1,0,0,0|2,0,1]=4 18 B8R0.24 C[N+](C)(C)CC(O)CCl AK117117 [1,0,1,0,0,0|2,0,0]=4 19 B8R0.24 C[N+](C)(C)CC(O)CO AK544946 [1,0,1,0,0,0|2,0,0]=4 20 B8R1.4 CC1COCC(C)N1 AK138217 [2,0,0,0,0,0|2,0,0]=4 21 B8R1.4 C[C@@H]1CN(C)CCN1 AK158560 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AK143124 [2,0,0,0,0,0|2,0,0]=4 23 B8R1.4 C[C@@H]1COC[C@@H](C)N1 AK147246 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.4 C[C@H]1CN(C)CCN1 AK106695 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.4 NC1CCCC(C1)O AK-36106 [2,0,0,0,0,0|1,0,0]=3 27 B8R1.4 NC1CN(C)CCC1 AK-76844 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.4 N[C@@H]1CN(C)CCC1 AK159101 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.4 N[C@H]1CN(C)CCC1 AK153472 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.4 N[C@H]1C[C@@H](N)CCC1 AK124383 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.72 CC1(C)CCNCC1 AK116331 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.72 CC1(C)CNCCO1 AK113050 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.72 CC1(C)CNCCO1 AK128847 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.72 CC1(C)NCCOC1 AK-88532 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.72 CC1(CCOCC1)O AK-31507 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.72 CC1(CNCCN1)C AK-36524 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.72 C[N+]1(C)CCCCC1 AK163545 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.72 C[Si]1(C)CCNCC1 AK173609 [2,0,0,0,0,0|1,1,0]=4 40 B8R1.72 NC1(C)CCOCC1 AK-31509 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.72 OC1(C)CCCCC1 AK161821 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.72 OC1(C)CCNCC1 AK-79153 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.510 OC1CC(C)(C)N(C)C(C)(C)C1 AK109203 [0,2,0,0,0,0|1,0,0]=3 44 B12R1.510 [O]N1C(C)(C)CC(N)CC1(C)C AK-73108 [0,2,0,0,0,0|2,0,0]=4 45 B10R1.95 CC1(C)OCC(CCO)O1 AK104486 [0,0,1,1,0,0|2,0,0]=4 46 B10R2.71 O=C1CC2CC(CC2)C1 AK165360 [1,0,0,1,0,0|0,0,2]=4 47 B10R2.71 OC1CC2NC(C1)CC2 AK-39797 [1,0,0,1,0,0|1,0,0]=3 48 B10R2.71 O[C@@H]1C[C@@H]2N[C@@H](CC2)C1 AK142708 [1,0,0,1,0,0|1,0,0]=3 49 B10R2.71 O[C@H]1C[C@@H]2N[C@@H](CC2)C1 AK-76556 [1,0,0,1,0,0|1,0,0]=3