0 B9R0.45 CCCCCCCCCCl 2832692 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.45 CCCCCNCCCC 1366728 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.45 NCCCCCCCCN 22430526 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.4 CCCCCCCCN 2826643 [1,0,0,0,0,0|1,0,0]=2 4 B8R0.4 CCCCCCCCO 2826716 [1,0,0,0,0,0|0,0,1]=2 5 B8R0.4 CCCCNCCCC 1366601 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.4 CCCCOCCCN 2826806 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.4 CCOCCOCCO 2827001 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.4 COCCCNCCO 1868574 [1,0,0,0,0,0|2,0,1]=4 9 B10R0.4 CC(=O)NCCCCCCN 7020720034 [0,1,0,0,0,0|2,0,0]=3 10 B10R0.4 CCCCCCCCC(=O)Cl 2848173 [0,1,0,0,0,0|0,0,0]=1 11 B10R0.4 CCCCCCCCC(=O)O 2831121 [0,1,0,0,0,0|0,0,0]=1 12 B10R0.71 CCCCCCCCCCN 2821858 [0,1,0,0,0,0|1,0,1]=3 13 B10R0.71 CCCCCCNCCCC 1868677 [0,1,0,0,0,0|1,0,1]=3 14 B10R0.74 CCCCCCCC(=O)NN 7119846920 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.4 N#CCC1CCCCC1=O 3354786 [0,0,0,1,0,0|1,0,1]=3 16 B10R1.17 CCOCC1CCCNC1 1147300 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.17 CNCCC1CCCCO1 2125461 [0,0,0,1,0,0|1,0,2]=4 18 B10R1.17 CNCCC1CCOCC1 2317425 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.17 N#CCCC1CCOCC1 2818441 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.17 NCCCC1CCOCC1 2313008 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.17 NCCNC1CCCCC1 1206152 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.21 NCCCCN1CCCC1 7018930005 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.29 NCCCN1CCCC1=O 2827797 [0,0,0,1,0,0|2,0,0]=3 24 B10R1.161 ON=C1CCCCCCC1 2827620 [0,0,0,1,0,0|1,0,2]=4 25 B7R0.1 CCCCCCCI 3112189 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.1 CCCCNCCC 1366549 [2,0,0,0,0,0|1,0,0]=3 27 B7R0.1 CCCCNCCO 1868692 [2,0,0,0,0,0|1,0,1]=4 28 B7R0.1 CCCCOCCO 2826077 [2,0,0,0,0,0|1,0,1]=4 29 B7R0.1 NCCCCCCN 22430407 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.1 NCCCCCCN 2826021 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.1 NCCCCCCO 7020210387 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.1 OCCCCCCO 2826079 [2,0,0,0,0,0|1,0,1]=4 33 B9R0.2 CCCCCCNC(N)=O 11639148 [1,1,0,0,0,0|1,0,0]=3 34 B11R0.3 ICCCCCCCCCCI 3585885 [0,2,0,0,0,0|1,0,1]=4 35 B11R0.3 OCCCCCCCCCCO 2847231 [0,2,0,0,0,0|0,0,2]=4 36 B9R1.5 O=C1NCCCCC1Br 2957226 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.8 ClCCN1CCCCC1 1902086 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.8 NCCC1=CCCCC1 2826290 [1,0,0,1,0,0|1,0,1]=4 39 B9R1.8 NCCC1CCOCC1 1366593 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.8 O=C=NC1CCCCC1 1051735 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.8 OCCC1CCCCN1 2826600 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.8 OCCC1CCOCC1 4060201 [1,0,0,1,0,0|1,0,1]=4 43 B9R1.12 NCCNC1CCCC1 1206151 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.50 NC1CCCCCCC1 2826453 [1,0,0,1,0,0|1,0,0]=3 45 B9R1.50 O=C1CCCCCCC1 2826341 [1,0,0,1,0,0|0,0,0]=2 46 B11R1.199 CCOC(=O)C1CCCC1=O 22430524 [0,1,0,1,0,0|1,0,1]=4 47 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O 4855256 [0,1,0,1,0,0|1,0,0]=3 48 B11R1.91 NC(=O)CSC1CCCCC1 2846468 [0,1,0,1,0,0|1,0,0]=3 49 B11R1.91 O=C(O)CCC1CCCCC1 1902275 [0,1,0,1,0,0|0,0,0]=2 50 B11R1.91 O=C(O)CCC1CCOCC1 2313009 [0,1,0,1,0,0|1,0,0]=3 51 B11R1.91 O=C(O)CCN1CCNCC1 11639111 [0,1,0,1,0,0|2,0,0]=4 52 B11R1.91 O=C(O)CCN1CCNCC1 2048835 [0,1,0,1,0,0|2,0,0]=4 53 B11R1.91 O=C(O)CCN1CCOCC1 7016234022 [0,1,0,1,0,0|2,0,0]=4 54 B11R1.91 O=C(O)CCN1CCOCC1 7110951107 [0,1,0,1,0,0|2,0,0]=4 55 B11R1.91 O=C(O)CSC1CCCCC1 1181382 [0,1,0,1,0,0|1,0,0]=3 56 B11R1.742 NC(=O)NC1CCCCCC1 1779449 [0,1,0,1,0,0|1,0,0]=3 57 B11R1.28 NCCCCN1CCCCC1 7020210330 [0,1,0,1,0,0|1,0,1]=4 58 B11R1.41 CCC1CCCCN1CC#N 970482 [0,1,0,1,0,0|1,0,1]=4 59 B11R1.203 N#CCCN1CCCCCC1 970479 [0,1,0,1,0,0|1,0,1]=4 60 B11R1.203 NCCCN1CCCCCC1 7020210316 [0,1,0,1,0,0|1,0,1]=4 61 B11R2.18 C1CCC2=NCCN2CC1 22430605 [0,0,0,2,0,0|2,0,0]=4 62 B11R2.3 O=C1CCCC12CCCC2 3354824 [0,0,0,2,0,0|0,0,0]=2