0 B8R0.1 CCOC(=O)CN=C=O AB00195 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 CNCCCCC=C CB11323 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.3 COC(=O)CCC=C AB16906 [1,0,0,0,0,0|0,0,0]=1 3 B7R0.3 COC(=O)CCCO AB65249 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.7 CCOC(=O)C#CC AB01182 [1,0,0,0,0,0|0,0,3]=4 5 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.7 CCOC(=O)N=C=S AB00381 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.5 CCOC(=O)CCN=C=O AB03009 [0,1,0,0,0,0|1,0,1]=3 8 B9R0.18 C(CC(=O)CCCCl)CCl AB01251 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.34 CCOC(=O)CC(C=C)O MB69298 [0,1,0,0,0,0|0,0,0]=1 10 B9R0.34 CCOC(=O)CC(C=O)Cl AB76485 [0,1,0,0,0,0|1,0,0]=2 11 B9R0.35 CCCC(=O)C(=O)OCC AB25061 [0,1,0,0,0,0|0,0,3]=4 12 B9R0.35 CCOC(=O)\C(=C\C=O)\Br AB70320 [0,1,0,0,0,0|1,0,2]=4 13 B9R0.48 CCOC(=O)CC[N+](=O)[O-] MB00654 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.2 C1CNC(=O)CC1CO PB18227 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.7 CCOC1CCC(=O)N1 AB15019 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.15 CCC1C(=O)CCCN1 AB43253 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.15 CCC1CCCCC1=O AB02693 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.15 CCC1COCCC1=O AB75455 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.27 CCC1=C(CNC1=O)C AB04375 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,0,0,1,0,0|2,0,1]=4 22 B6R0.1 CCNC(=O)C=C CB10170 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.1 CCOC(=N)CCl AB60917 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.1 CCOC(=N)CO AB60920 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.1 CCOC(=O)C#N PB24520 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.1 COC(=N)CCCl AB61008 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.1 COC(=O)CC#C AB11822 [2,0,0,0,0,0|0,0,2]=4 28 B6R0.1 COC(=O)\C=C\N AB31601 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.4 C#CCCC(=O)O CB10019 [2,0,0,0,0,0|0,0,2]=4 30 B8R0.5 CCOC(=O)CC(=N)N AB29705 [1,1,0,0,0,0|1,0,0]=3 31 B8R0.5 CCOC(=O)CC(=O)O AB01280 [1,1,0,0,0,0|1,0,0]=3 32 B8R0.5 CCOC(=O)CC(=O)[O-] AB01563 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.5 CCOC(=O)CC(F)F AB71794 [1,1,0,0,0,0|1,0,0]=3 34 B10R0.2 CCOC(=O)C[C@@H](CC#N)O AB05567 [0,2,0,0,0,0|0,0,2]=4 35 B10R0.19 CCCCC(=O)C(=O)OCC PB13106 [0,2,0,0,0,0|0,0,2]=4 36 B10R0.108 CCOC(=O)CCC(=O)CBr AB69626 [0,2,0,0,0,0|0,0,1]=3 37 B10R0.129 CCCC(C)(C(=O)OCC)N AB12007 [0,2,0,0,0,0|0,0,2]=4 38 B8R1.2 C1COCCC1C=O AB14645 [1,0,0,1,0,0|1,0,1]=4 39 B8R1.8 C1COCC1CC=O AB75447 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.22 C1CC(=O)CCOC1 AB76453 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.1 C1[C@H](COC1=O)CF MB19704 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.3 C1CC(=O)CCC1N AB26267 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.38 COC(=O)C1CCN1 MB03946 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.38 COC(=O)C1CNC1 CB11044 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.38 COC(=O)C1CNC1 PB17252 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.38 COC(=O)[C@@H]1CCN1 PB15881 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.38 COC(=O)[C@H]1CCN1 PB33618 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.40 COC(=O)CC1CC1 PB20704 [1,0,0,1,0,0|0,0,2]=4 50 B8R1.83 COC(=O)[C@H]1C[C@@H]1N AB77059 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.4 C1CNC(=O)CC1=O PB20308 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.4 C1CNC(=O)CC1N PB11631 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.4 CC1CC(=O)CCN1 PB18889 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.18 CC1C(=O)NC(=O)O1 AB26261 [1,0,0,1,0,0|2,0,0]=4 59 B10R1.11 CCOC(=O)C1=CN=NC1 PB25908 [0,1,0,1,0,0|1,0,1]=4 60 B10R1.11 CCOC(=O)C1=NC=NC1 AB11920 [0,1,0,1,0,0|1,0,1]=4 61 B10R1.11 CCOC(=O)C1=NN=CC1 AB06196 [0,1,0,1,0,0|1,0,1]=4 62 B10R1.11 CCOC(=O)C1=NN=CC1 PB27452 [0,1,0,1,0,0|1,0,1]=4 63 B10R1.11 CCOC(=O)C1CC=CC1 AB24924 [0,1,0,1,0,0|0,0,0]=2 64 B10R1.11 CCOC(=O)c1[nH]ccn1 AB14751 [0,1,0,1,0,0|1,0,1]=4 65 B10R1.11 CCOC(=O)c1ccon1 PB14547 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.11 CCOC(=O)c1cnco1 AB19292 [0,1,0,1,0,0|1,0,1]=4 67 B10R1.11 CCOC(=O)c1cncs1 PB17345 [0,1,0,1,0,0|1,0,1]=4 68 B10R1.11 CCOC(=O)c1cocn1 PB21846 [0,1,0,1,0,0|1,0,1]=4 69 B10R1.11 CCOC(=O)c1cscn1 AB16049 [0,1,0,1,0,0|1,0,1]=4 70 B10R1.11 CCOC(=O)c1ncco1 AB19317 [0,1,0,1,0,0|1,0,1]=4 71 B10R1.11 CCOC(=O)c1nccs1 AB23232 [0,1,0,1,0,0|1,0,1]=4 72 B10R1.140 CCOC(=O)C1CC(C1)O PB10706 [0,1,0,1,0,0|0,0,2]=4 73 B10R1.113 C1CNC(=O)CC1C(=O)O PB11932 [0,1,0,1,0,0|2,0,0]=4 74 B10R2.2 C1C=CC2C1CC(=O)N2 PB36188 [0,0,0,2,0,0|2,0,0]=4