0 B7R0.6 CC(C#CC(=O)O)O DA-41638 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 CC(C)NCC(=O)N DA-27667 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(CCC(=O)O)I DA-41244 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.4 C(C#CC(=O)O)Cl DA-39702 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.4 C(C#CC(=O)O)O DA-41575 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.9 CC(C)CCC(=O)CBr DA-29606 [0,1,0,0,0,0|1,0,2]=4 6 B8R0.9 CC(C)NNC(=O)OC DA-28771 [0,1,0,0,0,0|2,0,0]=3 7 B8R0.9 CC(CCC(=O)O)C=C DA-39098 [0,1,0,0,0,0|0,0,3]=4 8 B8R0.9 CC(CCC(=O)OC)I DA-40744 [0,1,0,0,0,0|1,0,2]=4 9 B8R0.9 CC(CN)CNC(=O)C DA-45920 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.9 CCC(=O)NCC(C)C DA-42026 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.9 CCC(C)COC(=O)Cl DA-25809 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.23 CC(C)CC(=O)C(=O)C DA-37135 [0,1,0,0,0,0|1,0,1]=3 13 B8R0.29 CC(C)(C#CC(=O)O)O DA-42273 [0,1,0,0,0,0|0,0,2]=3 14 B8R0.29 C[Si](C)(C)CCC(=O)O DA-24836 [0,1,0,0,0,0|0,1,2]=4 15 B8R1.3 CC1CNC(=O)CO1 DA-36000 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.23 CC(C)C1CC(=O)N1 DA-39277 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.35 C1CC1C#CC(=O)O DA-41532 [0,0,0,1,0,0|0,0,2]=3 18 B8R1.35 C1CC1COC(=O)Cl DA-34925 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.35 CC(=O)C#CC1CC1 DA-39480 [0,0,0,1,0,0|1,0,2]=4 20 B8R1.51 CC1(CCC(=O)C1)C DA-24789 [0,0,0,1,0,0|1,0,2]=4 21 B6R0.2 B(C=C(C)C)(O)O DA-35283 [0,0,0,0,1,0|1,0,2]=4 22 B6R0.2 CC(=CC(=O)N)N DA-24318 [0,0,0,0,1,0|2,0,1]=4 23 B6R0.2 C\C(=C\C(=O)C)\[O-] DA-34907 [0,0,0,0,1,0|2,0,1]=4 24 B8R0.28 CC(C)COCC(=O)O DA-28580 [0,0,0,0,0,1|0,0,2]=3 25 B8R0.28 CN(C)CC#CC(=O)O DA-22226 [0,0,0,0,0,1|1,0,2]=4 26 B8R0.28 CN(C)CC=CC(=O)Cl DA-22227 [0,0,0,0,0,1|2,0,0]=3 27 B8R0.28 CN(C)CC=CC(=O)O DA-39994 [0,0,0,0,0,1|1,0,0]=2 28 B5R0.1 CC(C)C#CO DA-23402 [2,0,0,0,0,0|0,0,2]=4 29 B5R0.1 CN(C)CC=O DA-27712 [2,0,0,0,0,0|1,0,1]=4 30 B5R0.1 CN(C)CC=O DA-27713 [2,0,0,0,0,0|1,0,1]=4 31 B5R0.1 CN(C)CC=O DA-27714 [2,0,0,0,0,0|1,0,1]=4 32 B5R0.1 C\C(=C/C=O)\Br DA-32109 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.2 C=CC=CCBr DA-37930 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.2 CC(C)CC(=O)C=O DA-39138 [1,1,0,0,0,0|0,0,1]=3 35 B7R0.3 CCC#CC(=O)OC DA-43094 [1,1,0,0,0,0|0,0,2]=4 36 B7R0.4 COCC#CC(=O)O DA-39237 [1,1,0,0,0,0|0,0,2]=4 37 B7R0.5 CCNC(=O)C(=O)O DA-27699 [1,1,0,0,0,0|1,0,0]=3 38 B7R0.16 CC(=O)C(=O)N(C)C DA-43378 [0,1,0,0,1,0|2,0,0]=4 39 B9R0.56 CC(C)(C)CCCC(=O)O DA-38321 [0,1,0,0,0,1|0,0,2]=4 40 B9R0.21 CC(C)(C)OCC(=O)OC DA-32922 [0,2,0,0,0,0|1,0,1]=4 41 B9R0.64 CC(C)(CCC(=O)O)SC DA-39110 [0,2,0,0,0,0|0,0,2]=4 42 B9R0.11 CC(C)CC(C)(C(=O)O)O DA-26148 [0,2,0,0,0,0|0,0,2]=4 43 B9R0.57 CC(C)(C)OC(=O)C(=O)O DA-31838 [0,2,0,0,0,0|1,0,0]=3 44 B7R1.2 C1C(C=CC1=O)O DA-39357 [1,0,0,1,0,0|1,0,0]=3 45 B7R1.2 CC1CC(=O)NN1 DA-37107 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.2 Cc1ccc(s1)O DA-37079 [1,0,0,1,0,0|0,1,1]=4 47 B7R1.3 C1C=CC(=O)CO1 DA-39998 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.3 C1C=CC(CO1)O DA-42425 [1,0,0,1,0,0|1,0,1]=4 49 B7R1.7 C1CC1CCC=O DA-34928 [1,0,0,1,0,0|0,0,2]=4 50 B9R1.35 CC(C)c1cnc(o1)N DA-37235 [0,0,0,1,0,1|1,0,0]=3 51 B9R1.35 Cc1cc(oc1)C(=O)O DA-39140 [0,0,0,1,0,1|0,0,2]=4 52 B9R1.35 Cc1cnc(s1)C(C)C DA-26053 [0,0,0,1,0,1|1,1,0]=4 53 B9R1.35 Cn1cnc(n1)C(=O)O DA-29248 [0,0,0,1,0,1|2,0,0]=4 54 B9R1.66 CC1(C=CNC(=S)N1)C DA-24722 [0,0,0,1,0,1|1,1,0]=4 55 B9R1.80 COC(=O)C#CC1CC1 DA-41317 [0,1,0,1,0,0|0,0,2]=4 56 B9R1.84 C1CC(C1)CCC(=O)O DA-34953 [0,1,0,1,0,0|0,0,2]=4 57 B9R1.164 CC1(CC(C1)C(=O)O)Cl DA-23844 [0,1,0,1,0,0|0,0,2]=4 58 B5R0.5 CC(C)C(=N)N DA-25790 [0,0,0,0,2,0|2,0,0]=4