0 B7R0.3 C=CC(C)CCCC 102712 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 COC(=O)C#CBr 21038 [1,0,0,0,0,0|1,0,2]=4 2 B6R0.4 CCCN[N+](=O)[O-] 22283 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.6 CCC#CCCC 102645 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.6 CCO\C=C\SC 103146 [1,0,0,0,0,0|1,1,1]=4 5 B6R0.6 COCOCCCl 100854 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.6 C\C=C/CCCO 102707 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.3 CO\C=C(/C)C(=O)OC 101951 [0,1,0,0,0,0|1,0,2]=4 8 B8R0.3 CO\C=C(/F)C(=O)OC 102667 [0,1,0,0,0,0|1,0,2]=4 9 B8R0.6 CCN\C=C\C(=O)OC 13304 [0,1,0,0,0,0|0,0,2]=3 10 B8R0.6 COC(=O)CCCCO 102453 [0,1,0,0,0,0|0,0,0]=1 11 B8R0.6 C\C=C\C=C\C(=O)OC 102289 [0,1,0,0,0,0|0,0,3]=4 12 B8R0.9 COC(=O)CNC(C)=O 22216 [0,1,0,0,0,0|1,0,1]=3 13 B8R0.19 CN\C(C)=C/C(=O)OC 13305 [0,1,0,0,0,0|1,0,2]=4 14 B8R1.1 O=C1CC[C@H](CBr)N1 22002 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.1 O=C1CC[C@H](CBr)O1 21988 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.1 O=S1OCC(CF)O1 9970 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.1 [NH3+]C[C@H]1CCC(=O)O1 21998 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.2 ON=C1CCCCC1 19847 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.3 CC1=CCC(=O)CC1 102607 [0,0,0,1,0,0|1,0,2]=4 20 B8R1.50 CC1C(=O)CCC1=O 13753 [0,0,0,1,0,0|2,0,1]=4 21 B5R0.2 COC=COC 20215 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.3 COC(=O)NN 16671 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.2 C\C=C(\C)CC(C)C 103077 [1,1,0,0,0,0|2,0,0]=4 24 B7R0.7 CC\C=C(/C)CCC 102642 [1,1,0,0,0,0|2,0,0]=4 25 B7R0.4 C=C(F)CCCCO 102348 [1,1,0,0,0,0|1,0,1]=4 26 B7R0.4 C=CCCCC(=O)O 102353 [1,1,0,0,0,0|0,0,1]=3 27 B7R0.4 CCO\C=C\C(=O)O 103160 [1,1,0,0,0,0|0,0,2]=4 28 B7R0.6 CC(C)=CCC(=O)O 16792 [1,1,0,0,0,0|0,0,2]=4 29 B7R0.6 CC(C)\C=C\C(=O)O 16790 [1,1,0,0,0,0|0,0,2]=4 30 B7R0.1 CCCCC\C=C\I 102635 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.1 CCO\C=C/OCC 103144 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.1 CCO\C=C\OCC 103128 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.1 C\C=C/CCCCC 102713 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.1 C\C=C/CCCCO 102708 [1,1,0,0,0,0|1,0,0]=3 35 B9R0.18 C=C(CCCC)CCCC 102634 [0,2,0,0,0,0|2,0,0]=4 36 B9R0.18 CCCCC(=O)COCC 103118 [0,2,0,0,0,0|0,0,0]=2 37 B9R0.46 CCCCCCC(=O)NN 841 [0,2,0,0,0,0|2,0,0]=4 38 B9R0.26 COC(=O)CC(OC)OC 100820 [0,2,0,0,0,0|1,0,0]=3 39 B7R1.3 O=C1C=CCCC1 19980 [1,0,0,1,0,0|1,0,1]=4 40 B7R1.4 CC1=CCCC1=O 16116 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.7 [NH2+](C)C[C@H]1CCC(=O)O1 21997 [0,1,0,1,0,0|2,0,0]=4 42 B9R1.11 COC(=O)N1C=CCC1 13476 [0,1,0,1,0,0|0,0,2]=4 43 B9R1.1 COC1CCC(=O)CC1 11320 [0,1,0,1,0,0|1,0,0]=3