0 B9R0.45 C=CCCCCCCCCl 1177AF [0,0,0,0,0,0|2,0,2]=4 1 B9R0.45 C=CCCCCCCCO 6910AL [0,0,0,0,0,0|2,0,2]=4 2 B9R0.45 CCC#CCCCCCC 5747AF [0,0,0,0,0,0|1,0,3]=4 3 B9R0.45 CCCCCCCCC#N 8127AF [0,0,0,0,0,0|1,0,3]=4 4 B9R0.45 CCCCCCCCCS Q791 [0,0,0,0,0,0|0,1,3]=4 5 B9R0.45 CCCCCC\C=C/CO 7426AL [0,0,0,0,0,0|2,0,1]=3 6 B8R0.4 CCCCCCCCF V6056 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.4 CCCCCCON=O 8053AL [1,0,0,0,0,0|2,0,1]=4 8 B8R0.4 CC\C=C/CCCCO 7454AL [1,0,0,0,0,0|0,0,1]=2 9 B10R0.1 CCCCCCC(=O)CCC 9409AB [0,1,0,0,0,0|1,0,2]=4 10 B10R0.4 CCCCCCCCC(=O)Cl 8642AL [0,1,0,0,0,0|0,0,2]=3 11 B10R0.4 CCCCCCCCC(=O)[O-] 8744AL [0,1,0,0,0,0|0,0,2]=3 12 B10R0.4 CCCCCCCOC(=O)Cl 3970AB [0,1,0,0,0,0|1,0,2]=4 13 B10R0.4 CCCCCC\C=C\C(C)=O 2414AL [0,1,0,0,0,0|1,0,2]=4 14 B10R0.71 CCCCCCCCNC=O 8620AL [0,1,0,0,0,0|0,0,2]=3 15 B10R0.74 C=CC(O)CCCCCCC U552 [0,1,0,0,0,0|1,0,2]=4 16 B10R1.4 CCOC1=CCCCC1=O 3081AB [0,0,0,1,0,0|1,0,1]=3 17 B10R1.78 O=C1CCCCCCCC1 3914AB [0,0,0,1,0,0|0,0,2]=3 18 B7R0.1 CCCCCCOC 8052AL [2,0,0,0,0,0|2,0,0]=4 19 B7R0.1 CCCCCOC=O 7518AF [2,0,0,0,0,0|1,0,0]=3 20 B7R0.1 CCC\C=C/CCC 7451AL [2,0,0,0,0,0|0,0,2]=4 21 B7R0.1 CCNCCCCO 2370AE [2,0,0,0,0,0|1,0,1]=4 22 B7R0.1 CC\C=C/CCCO 7447AL [2,0,0,0,0,0|0,0,1]=3 23 B9R0.2 CCCCCCCC(N)=O 7980AF [1,1,0,0,0,0|0,0,1]=3 24 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [1,1,0,0,0,0|0,0,1]=3 25 B9R0.2 CCCCCCOC(C)=O 7968AF [1,1,0,0,0,0|1,0,1]=4 26 B9R0.2 C\C=C\CCCCB(O)O N891 [1,1,0,0,0,0|1,0,1]=4 27 B9R0.2 NCCCCCCC(=O)O X4768 [1,1,0,0,0,0|1,0,1]=4 28 B11R0.155 CC\C=C(/C)C(O)CCCCC 2668AC [0,2,0,0,0,0|1,0,1]=4 29 B11R0.40 CCCCCCCCC(=O)CC 6166AL [0,2,0,0,0,0|0,0,2]=4 30 B11R0.148 O=C(O)CCCCCCCCBr Z4721 [0,2,0,0,0,0|0,0,2]=4 31 B9R1.8 O=CCC1CCOCC1 W7684 [1,0,0,1,0,0|1,0,0]=3 32 B9R1.12 O=CCCC1CCCC1 5333AH [1,0,0,1,0,0|0,0,1]=3 33 B9R1.15 CCN1CCNCC1=O Y9576 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.15 COC1CCCCC1=O 5686AL [1,0,0,1,0,0|1,0,1]=4 35 B9R1.15 O=CC1=C(Cl)CCCC1 Z2040 [1,0,0,1,0,0|2,0,0]=4 36 B11R1.180 CCCCCC1CCCC1=O 6603AB [0,1,0,1,0,0|0,0,2]=4 37 B11R1.199 CCOC(=O)C1CCNC1=O Z1996 [0,1,0,1,0,0|2,0,0]=4 38 B11R1.199 CCOC(=O)C1COCC1=O 4919AC [0,1,0,1,0,0|2,0,0]=4 39 B11R1.199 CCOC(=O)C1CSCC1=O 2316AC [0,1,0,1,0,0|2,0,0]=4 40 B11R1.91 O=C(O)CCC1CCNCC1 7073AB [0,1,0,1,0,0|1,0,1]=4 41 B11R1.91 O=C(O)CCC1CCNCC1 9555AA [0,1,0,1,0,0|1,0,1]=4 42 B11R1.222 CCC(C)C1CCCCC1=O 7346AA [0,1,0,1,0,0|0,0,2]=4