0 B7R0.4 COCC#CC(=O)O DA-39237 [1,0,0,0,0,0|0,1,2]=4 1 B7R0.5 C#CCC(C(=O)O)O DA-26130 [1,0,0,0,0,0|1,0,2]=4 2 B7R0.5 C(CBr)C(C(=O)Br)Br DA-27326 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.5 CCCN(C)C(=O)Cl DA-42245 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.5 CCNC(=O)C(=O)O DA-27699 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.7 C(CC(=O)O)C(C(=O)N)N DA-21997 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.6 C1CNCCC1C(=O)Cl DA-38983 [0,0,0,1,0,0|3,0,0]=4 7 B9R1.59 CCCC1C(O1)C(=O)O DA-23241 [0,0,0,1,0,0|2,0,0]=3 8 B9R1.110 C1CC(C1)C(=O)C(=O)O DA-26343 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.163 CC1(CCCC1)C(=O)Cl DA-29140 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.163 CC1(CCCN1)C(=O)O DA-25786 [0,0,0,1,0,0|3,0,0]=4 11 B6R0.1 CCOC(C)C=O DA-26268 [2,0,0,0,0,0|2,0,0]=4 12 B6R0.6 CCCOCC=O DA-25689 [2,0,0,0,0,0|2,0,0]=4 13 B6R0.6 COCOCC=O DA-27663 [2,0,0,0,0,0|1,1,0]=4 14 B6R0.3 CCC(C(=O)N)Cl DA-26397 [2,0,0,0,0,0|2,0,0]=4 15 B8R0.7 CC#CCCCC(=O)O DA-37336 [1,1,0,0,0,0|1,0,0]=3 16 B8R0.28 CC(=O)CCCC(=O)Cl DA-37042 [1,1,0,0,0,0|2,0,0]=4 17 B8R0.28 CC(C)COCC(=O)O DA-28580 [1,1,0,0,0,0|2,0,0]=4 18 B8R0.12 CC(C)(CCN)C(=O)O DA-21472 [1,1,0,0,0,0|2,0,0]=4 19 B8R0.12 CCCC(C)(C(=O)O)O DA-26145 [1,1,0,0,0,0|1,0,0]=3 20 B10R0.83 CCCCCC(C(=O)OC)N DA-33026 [0,2,0,0,0,0|1,0,0]=3 21 B10R0.83 COC(=O)C(CCCCBr)Br DA-33077 [0,2,0,0,0,0|2,0,0]=4 22 B10R0.85 COCCC(C=O)C(=O)OC DA-32966 [0,2,0,0,0,0|1,1,0]=4 23 B10R0.42 CCCOCC(C)(C)C(=O)O DA-27486 [0,2,0,0,0,0|2,0,0]=4 24 B8R1.5 C1COCC(=O)N1N DA-21437 [1,0,0,1,0,0|1,1,0]=4 25 B8R1.52 C1CSCC1(C#N)N DA-24130 [1,0,0,1,0,0|1,0,1]=4 26 B8R1.4 CC1CCCC(=O)O1 DA-41276 [1,0,0,1,0,0|1,0,0]=3 27 B8R1.4 CN1CCCC(=O)C1 DA-29192 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.6 COCC1CC(=O)C1 DA-24874 [1,0,0,1,0,0|1,1,0]=4 29 B8R1.7 C1COCC1C(=O)N DA-41026 [1,0,0,1,0,0|1,1,0]=4 30 B8R1.7 CC(=O)C1CCOC1 DA-30524 [1,0,0,1,0,0|1,1,0]=4 31 B8R1.34 CC(=O)CC1COC1 DA-31152 [1,0,0,1,0,0|1,1,0]=4 32 B8R1.43 C1C(C1C(=O)O)C=O DA-26190 [1,0,0,1,0,0|2,0,0]=4 33 B10R1.18 C1CSCCC1CC(=O)O DA-45579 [0,0,0,1,0,1|1,0,0]=3 34 B10R1.54 CN1CCC(C1)CC(=O)O DA-29191 [0,0,0,1,0,1|2,0,0]=4 35 B10R1.61 C1CNCC(C1O)C(=O)O DA-39349 [0,0,0,1,0,1|2,0,0]=4 36 B10R1.61 CC1CCNCC1C(=O)O DA-39113 [0,0,0,1,0,1|2,0,0]=4 37 B10R1.13 C1CC(=O)CNC1C(=O)O DA-37041 [0,1,0,1,0,0|1,0,0]=3 38 B10R1.13 C1CC(CCC1C(=O)O)Br DA-39820 [0,1,0,1,0,0|2,0,0]=4 39 B10R1.13 CC1CCC(CN1)C(=O)N DA-35999 [0,1,0,1,0,0|2,0,0]=4 40 B10R1.15 COC(=O)C1CCCCS1 DA-41629 [0,1,0,1,0,0|2,0,0]=4 41 B10R1.15 COC(=O)C1COCCN1 DA-47156 [0,1,0,1,0,0|2,0,0]=4 42 B10R1.99 CCCC1C(O1)C(=O)OC DA-32658 [0,1,0,1,0,0|2,0,0]=4 43 B10R1.411 COC(=O)C1(CCOC1)N DA-24131 [0,1,0,1,0,0|0,1,0]=3 44 B10R1.411 COC(=O)C1(CCSC1)N DA-24129 [0,1,0,1,0,0|0,0,0]=2 45 B10R1.194 CN1[C@@H](CCC1=O)C(=O)O DA-31693 [0,1,0,1,0,0|2,0,0]=4 46 B10R1.194 CN1[C@H](CCC1=O)C(=O)O DA-29149 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.348 C1CCNCC(C1)C(=O)O DA-35302 [0,1,0,1,0,0|1,0,0]=3 48 B10R1.437 CCCCC1(CC1)C(=O)O DA-29584 [0,1,0,1,0,0|2,0,0]=4 49 B10R1.363 C1CCC(CC1)(C(=O)O)Br DA-29602 [0,1,0,1,0,0|2,0,0]=4