0 B7R0.3 COC(=O)CCC=C AB16906 [1,0,0,0,0,0|1,0,2]=4 1 B7R0.3 COC(=O)CCCO AB65249 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.7 CCOC(=O)C#CC AB01182 [1,0,0,0,0,0|1,0,2]=4 3 B9R0.18 C(CC(=O)CCCCl)CCl AB01251 [0,1,0,0,0,0|1,0,2]=4 4 B9R0.35 CCCC(=O)C(=O)OCC AB25061 [0,1,0,0,0,0|1,0,2]=4 5 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,0,0,1,0,0|2,0,1]=4 6 B9R1.2 C1CNC(=O)CC1CO PB18227 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.2 CCC1CCCC(=O)N1 CB11733 [0,0,0,1,0,0|1,0,2]=4 8 B9R1.2 CCC1COCC(=O)N1 AB56433 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.12 C1C=NC(=N1)CCCN AB55095 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.12 CNCCc1cccs1 AB18501 [0,0,0,1,0,0|1,1,1]=4 11 B9R1.15 CCC1C(=O)CCCN1 AB43253 [0,0,0,1,0,0|1,0,2]=4 12 B9R1.15 CCC1CCCCC1=O AB02693 [0,0,0,1,0,0|0,0,2]=3 13 B9R1.15 CCC1COCCC1=O AB75455 [0,0,0,1,0,0|1,0,2]=4 14 B9R1.15 CCN1CCNCC1=O AB30261 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.15 COC1COCCC1=O PB17702 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.27 CCC1=C(CNC1=O)C AB04375 [0,0,0,1,0,0|1,0,2]=4 17 B9R1.33 CCCN1CCCC1=O AB51341 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.69 C1CC(=O)NC(=O)C1N PB14928 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.73 C1CC(C1)C(=O)CC#N PB22087 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.178 CC[C@H]1C[C@@]1(\C=C\C)N MB69386 [0,0,0,1,0,0|1,0,1]=3 22 B6R0.1 CCNC(=O)C=C CB10170 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.1 COC(=O)\C=C\N AB31601 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.4 C=C(CCCCl)I MB13670 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.7 B(\C=C\CCCC)(O)O AB08038 [1,1,0,0,0,0|2,0,0]=4 26 B8R0.9 CC(=O)OCC(=O)C=C AB16085 [1,1,0,0,0,0|1,0,1]=4 27 B10R0.19 CCCCC(=O)C(=O)OCC PB13106 [0,2,0,0,0,0|0,0,1]=3 28 B10R0.129 CCCC(C)(C(=O)OCC)N AB12007 [0,2,0,0,0,0|1,0,1]=4 29 B8R1.2 C1CCC(=CC1)CBr PB28658 [1,0,0,1,0,0|1,0,1]=4 30 B8R1.2 COC1=CCOCC1 PB24535 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.1 C1C(CNC1=O)CN PB10686 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.1 C1C(CNC1=O)CO PB26709 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.1 C1[C@H](COC1=O)CF MB19704 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.3 C1CC(=O)CCC1N AB26267 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.3 C1CC(=O)NCC1N PB22229 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.3 CC1CNC(=O)CN1 AB37204 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.3 CC1CNC(=O)CO1 AB71787 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.3 CN1CCC(=CC1)I AB70135 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.38 C1CC(C1)C(=O)NN PB29240 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.38 COC(=O)C1CCN1 MB03946 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.38 COC(=O)C1CNC1 CB11044 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.38 COC(=O)C1CNC1 PB17252 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.38 COC(=O)[C@@H]1CCN1 PB15881 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.38 COC(=O)[C@H]1CCN1 PB33618 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.40 COC(=O)CC1CC1 PB20704 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.83 COC(=O)[C@H]1C[C@@H]1N AB77059 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.4 CN1CCCC(=O)C1 AB39316 [1,0,0,1,0,0|1,0,1]=4 54 B10R1.16 CCCCc1[nH]c(cn1)Cl AB45177 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.16 Cc1cc(on1)CCCO CB10824 [0,1,0,1,0,0|1,0,1]=4 56 B10R1.61 CC(=O)N1CCCCC1=O AB52501 [0,1,0,1,0,0|1,0,0]=3 57 B10R1.10 CCCC1COCC(=O)N1 AB72706 [0,1,0,1,0,0|1,0,1]=4 58 B10R1.25 CCC1CNC(=O)CC1=O PB13231 [0,1,0,1,0,0|1,0,1]=4 59 B10R1.29 CCCCN1CCCC1=O AB01298 [0,1,0,1,0,0|0,0,2]=4 60 B10R1.186 CCCCOC(=O)C1CC1 AB14228 [0,1,0,1,0,0|0,0,2]=4 61 B10R1.4 CCCC1CCNCC1=O AB59855 [0,1,0,1,0,0|0,0,2]=4 62 B10R1.4 CCCC1COCCC1=O AB76451 [0,1,0,1,0,0|0,0,2]=4 63 B10R1.140 CCOC(=O)C1CC(C1)O PB10706 [0,1,0,1,0,0|1,0,1]=4 64 B10R2.32 C1CC(=O)C2=CN=CC21 AB22250 [0,0,0,2,0,0|1,0,1]=4 65 B10R2.7 C1CCC2=NCC=C2C1 CB10084 [0,0,0,2,0,0|1,0,0]=3 66 B10R2.7 C1CNCC2=CCN=C21 AB68626 [0,0,0,2,0,0|2,0,0]=4 67 B10R2.7 C1CNCC2=NCC=C21 AB76717 [0,0,0,2,0,0|2,0,0]=4