0 B7R0.1 CCCOCCCN DA-43561 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 COCOCCC=O DA-25586 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.6 C=CCOCC=O DA-27938 [1,0,0,0,0,0|1,0,2]=4 3 B6R0.6 CCCOCC=O DA-25689 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.6 CCC[Sn+2]CCC DA-34908 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.6 CCNCCOC DA-42706 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.6 CCOCCNC DA-26269 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.6 COCOCC=O DA-27663 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.1 CCOC(=O)CCC=O DA-23087 [0,1,0,0,0,0|1,0,0]=2 9 B8R0.4 CNCCCCCC=C DA-47831 [0,1,0,0,0,0|1,0,2]=4 10 B8R0.7 CC#CCCCC(=O)O DA-37336 [0,1,0,0,0,0|0,0,3]=4 11 B8R1.2 C1C(COCO1)C=O DA-30247 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.2 C1CC(CSC1)C=O DA-41962 [0,0,0,1,0,0|1,0,1]=3 13 B8R1.2 C1CC=C(OC1)CO DA-24742 [0,0,0,1,0,0|1,0,2]=4 14 B8R1.5 C1COCC(C1=O)O DA-41566 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.5 CC1C(=O)NCCO1 DA-25909 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.5 CC1COCCC1=O DA-46235 [0,0,0,1,0,0|1,0,1]=3 17 B8R1.11 CCc1c(=O)[nH]sn1 DA-39452 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.13 CCCC1CCC1=O DA-25683 [0,0,0,1,0,0|0,0,2]=3 19 B8R1.22 C1COCCNC1=O DA-48241 [0,0,0,1,0,0|2,0,1]=4 20 B5R0.2 C(C=O)NC=O DA-42448 [2,0,0,0,0,0|2,0,0]=4 21 B5R0.2 C=CC=CCBr DA-37930 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.2 C=CCNC=O DA-43596 [2,0,0,0,0,0|1,0,0]=3 23 B5R0.2 CNCCC=C DA-42589 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.3 COC(=O)CCC=C DA-41292 [1,1,0,0,0,0|2,0,0]=4 25 B9R0.5 CCOC(=O)CNCC=C DA-42823 [0,2,0,0,0,0|2,0,0]=4 26 B9R0.34 CCOC(=O)CC(C=O)Br DA-34105 [0,2,0,0,0,0|1,0,0]=3 27 B9R0.48 CCNC(=O)CCC(=O)O DA-22210 [0,2,0,0,0,0|1,0,0]=3 28 B9R0.48 CCOC(=S)NCC(=O)O DA-41757 [0,2,0,0,0,0|2,0,0]=4 29 B9R0.1 CC(=O)CCCC(=O)OC DA-32281 [0,2,0,0,0,0|1,0,1]=4 30 B9R0.1 CNC(=O)CCCC(=O)O DA-38370 [0,2,0,0,0,0|1,0,1]=4 31 B7R1.1 C1CC=C(C1)CBr DA-30681 [1,0,0,1,0,0|1,0,1]=4 32 B7R1.1 C1CSCC1C=O DA-48034 [1,0,0,1,0,0|1,0,0]=3 33 B7R1.1 CCc1cscn1 DA-39415 [1,0,0,1,0,0|2,0,0]=4 34 B7R1.3 C1CC=CC(C1)N DA-26341 [1,0,0,1,0,0|1,0,1]=4 35 B7R1.3 C=C1CCOCC1 DA-42620 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.7 C1CC1CCC=O DA-34928 [1,0,0,1,0,0|0,0,1]=3 37 B9R1.8 C1CC(COC1)CC=O DA-48094 [0,1,0,1,0,0|0,0,2]=4 38 B9R1.8 C1CCC(=CC1)CCBr DA-31452 [0,1,0,1,0,0|1,0,1]=4 39 B9R1.8 C1CCOC(C1)CC=O DA-41105 [0,1,0,1,0,0|0,0,2]=4 40 B9R1.8 C1COCCN1CC=O DA-23089 [0,1,0,1,0,0|1,0,1]=4 41 B9R1.8 C1COCCN1CC=O DA-39061 [0,1,0,1,0,0|1,0,1]=4 42 B9R1.12 c1cn(cn1)CCC=O DA-29355 [0,1,0,1,0,0|1,0,1]=4 43 B9R1.15 C1CCC(=O)C(C1)CO DA-28975 [0,1,0,1,0,0|0,0,2]=4 44 B9R1.15 CCC1C(=O)NCCN1 DA-23643 [0,1,0,1,0,0|1,0,1]=4 45 B9R1.27 C1CC(=O)N(C1=O)CO DA-30622 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.33 C1CC(=O)N(C1)CC=O DA-25739 [0,1,0,1,0,0|1,0,1]=4 47 B9R1.49 C1CC(CCC(=O)C1)O DA-23103 [0,1,0,1,0,0|0,0,2]=4 48 B9R1.134 CC1(CCCC1)CC=O DA-29141 [0,1,0,1,0,0|0,0,2]=4 49 B9R1.183 CCOC(=O)C1CC1=C DA-34266 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.14 CCn1cccc1C=O DA-43232 [0,1,0,1,0,0|0,0,2]=4 51 B9R1.1 CC1=CCC(CC1)CO DA-42551 [0,1,0,1,0,0|0,0,2]=4 52 B9R1.118 C1COCCC1(C=O)O DA-45487 [0,1,0,1,0,0|1,0,1]=4 53 B9R1.6 C1CC(=CC=C1)C(=O)N DA-30288 [0,1,0,1,0,0|0,0,2]=4 54 B9R1.6 C1CNCCC1C(=O)Cl DA-38983 [0,1,0,1,0,0|1,0,1]=4 55 B9R1.13 C1CCC(C1)CC(=O)Cl DA-34937 [0,1,0,1,0,0|0,0,2]=4 56 B9R1.13 C1CCC(C1)CC(=O)O DA-34939 [0,1,0,1,0,0|0,0,2]=4 57 B9R1.40 CC1(CNCCC1=O)C DA-24796 [0,1,0,1,0,0|1,0,1]=4 58 B9R1.84 C1CC(C1)CCC(=O)O DA-34953 [0,1,0,1,0,0|0,0,2]=4