0 B6R0.4 CC(C)CCC=O T20931 [1,0,0,0,0,0|0,0,0]=1 1 B6R0.6 CCC/C=C/C=O T8099 [1,0,0,0,0,0|1,0,1]=3 2 B6R0.6 CCCCCCO TN6891 [1,0,0,0,0,0|1,0,2]=4 3 B6R0.6 CCCCN=C=S TN6757 [1,0,0,0,0,0|1,1,1]=4 4 B8R0.28 CC(=O)CC/C=C(/C)C TN6832 [0,1,0,0,0,0|1,0,2]=4 5 B8R0.28 CC(C)CCCC(C)N T22389 [0,1,0,0,0,0|2,0,1]=4 6 B8R1.4 CC1CC=CC(=O)O1 TN3177 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.4 CC1CCN=C(N)C1 T21700 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.4 CC1CCOC(C)O1 T21290 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.4 C[C@@H]1CCN=C(N)S1 T22569 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.19 CC1(C)CCC=[N+]1[O-] T22739 [0,0,0,1,0,0|2,0,1]=4 11 B5R0.1 CC(C)=CCO T4747 [2,0,0,0,0,0|0,0,2]=4 12 B5R0.1 CC(C)C=NO T4930 [2,0,0,0,0,0|1,0,1]=4 13 B5R0.1 CN(C)CC=O T19099 [2,0,0,0,0,0|1,0,0]=3 14 B5R0.1 CN(C)CC=O T19100 [2,0,0,0,0,0|1,0,0]=3 15 B5R0.1 C[C@@H](CCO)O T9257 [2,0,0,0,0,0|1,0,0]=3 16 B5R0.1 C[C@@H](O)CCO T19538 [2,0,0,0,0,0|1,0,0]=3 17 B7R0.2 CC(C)C[C@H](N)C=O T25675 [1,1,0,0,0,0|0,0,0]=2 18 B7R0.2 CC(C)C[C@H](N)CO T5652 [1,1,0,0,0,0|0,0,2]=4 19 B7R0.6 CC(=O)CCC(O)=O T5551 [1,1,0,0,0,0|1,0,1]=4 20 B7R0.6 CC(C)CCC(O)=O T19138 [1,1,0,0,0,0|0,0,0]=2 21 B9R0.1 CN[C@H](C)CCC=C(C)C T27155 [0,2,0,0,0,0|2,0,0]=4 22 B9R0.7 C[S+](C)CCC(N)C(O)=O T7908 [0,2,0,0,0,0|2,0,0]=4 23 B9R0.7 C[S+](C)CC[C@H](N)C(O)=O T19919 [0,2,0,0,0,0|2,0,0]=4 24 B9R0.56 CC(=O)OCC[N+](C)(C)C T1221 [0,2,0,0,0,0|1,0,0]=3 25 B9R0.56 CC(=O)OCC[N+](C)(C)C T20344 [0,2,0,0,0,0|1,0,0]=3 26 B9R0.56 CC(=O)OCC[N+](C)(C)C T20522 [0,2,0,0,0,0|1,0,0]=3 27 B9R0.56 CC(=O)OCC[N+](C)(C)C T6751 [0,2,0,0,0,0|1,0,0]=3 28 B9R0.56 C[N+](C)(C)CCCC(O)=O T4702 [0,2,0,0,0,0|2,0,0]=4 29 B7R1.2 OC1CCC(=O)N1 TN3117 [1,0,0,1,0,0|2,0,0]=4 30 B7R1.3 CC1CCOCO1 T21291 [1,0,0,1,0,0|1,0,1]=4 31 B7R1.4 C=C1CCOC1=O T5320 [1,0,0,1,0,0|0,0,2]=4 32 B7R1.4 CC1OCCC1=O T8050 [1,0,0,1,0,0|2,0,0]=4 33 B7R1.4 CN1CCCC1=O T5851 [1,0,0,1,0,0|2,0,0]=4 34 B7R1.4 NC1CCSC1=O T5968 [1,0,0,1,0,0|1,1,0]=4 35 B7R1.4 N[C@H]1CCSC1=O T19393 [1,0,0,1,0,0|1,1,0]=4 36 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,1,0,1,0,0|0,0,0]=2 37 B9R1.3 OC1CCNC(=O)C1Cl TMA0098 [0,1,0,1,0,0|2,0,0]=4 38 B9R1.106 C[C@@]1(O)[C@H](O)COC1=O TN2750 [0,1,0,1,0,0|1,0,0]=3 39 B9R1.138 CC1(C)COC(=O)C1=O T20466 [0,1,0,1,0,0|2,0,0]=4 40 B9R2.39 O=C1CC2CCC1C2 TN4667 [0,0,0,2,0,0|1,0,0]=3