0 B9R0.5 CCCCCC(=O)CCC 22454 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.5 CCOC(=O)CCCCBr 00403 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.5 CCOC(=O)CNCCN 09645 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.1 CCNC(=O)NCCN 24079 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.4 CCCCC#CCCO 27561 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.4 CCCCCOCCO 11137 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.4 CCCCOCCCC 31925 [1,0,0,0,0,0|0,0,1]=2 7 B8R0.4 COCCOCCOC 14098 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.6 COC(=O)CCCCBr 26743 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.6 COC(=O)CCCCCl 27779 [1,0,0,0,0,0|3,0,0]=4 10 B10R0.2 CCOC(=O)OC(=O)OCC 24544 [0,1,0,0,0,0|2,0,1]=4 11 B10R0.6 CC(C)NC(=O)NCCCN 24083 [0,1,0,0,0,0|3,0,0]=4 12 B10R0.19 CCOC(=O)C(N)CCSC 08457 [0,1,0,0,0,0|3,0,0]=4 13 B10R0.19 CCOC(=O)[C@@H](N)CCCN 12090 [0,1,0,0,0,0|3,0,0]=4 14 B10R0.19 CCOC(=O)[C@@H](N)CCSC 03103 [0,1,0,0,0,0|3,0,0]=4 15 B10R0.19 CCOC(=O)[C@H](N)CCSC 03104 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.11 CCNC(=O)[C@@H]1CCCN1 06199 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.11 CCOC(=O)[C@@H]1CCCN1 12100 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.11 CCOC(=O)[C@H]1CCCN1 06622 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.11 N#CCC(=O)C1CCCC1 20126 [0,0,0,1,0,0|2,0,1]=4 20 B7R0.1 CCCC#CCCC 27223 [2,0,0,0,0,0|0,0,2]=4 21 B7R0.1 CCCCCCCO 30761 [2,0,0,0,0,0|1,0,1]=4 22 B7R0.3 COC(=O)CCCBr 27605 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.3 COC(=O)CCCN 31340 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.7 CCCN(C)CCC 22423 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.7 CCOC(=O)CCBr 26742 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.7 CCOC(=O)CCN 06221 [2,0,0,0,0,0|1,0,0]=3 27 B7R0.7 CCOC(=O)CNC 12102 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.7 CCO[PH](=O)OCC 12722 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.7 O=C(CCO)CCO 18449 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.4 CC(=O)NCCCN 23890 [2,0,0,0,0,0|2,0,0]=4 31 B9R0.18 CCCCN(C)CCCC 22424 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.35 CCC[C@H](N)C(=O)OCC 16306 [1,1,0,0,0,0|1,0,0]=3 33 B9R0.35 CCOC(=O)C(Br)CCBr 17964 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.48 CCOC(=O)CCC(C)C 22392 [1,1,0,0,0,0|1,0,0]=3 35 B9R0.45 CCCNCCNCCC 22311 [1,1,0,0,0,0|2,0,0]=4 36 B11R0.155 CCOC(=O)[C@@H](N)CCCCN 08898 [0,2,0,0,0,0|2,0,0]=4 37 B11R0.180 CCCC(=O)OCC[N+](C)(C)C 21205 [0,2,0,0,0,0|1,0,0]=3 38 B11R0.180 CCCC(=O)OCC[N+](C)(C)C 21772 [0,2,0,0,0,0|1,0,0]=3 39 B11R0.180 CCCC(=O)SCC[N+](C)(C)C 21504 [0,2,0,0,0,0|1,1,0]=4 40 B11R0.180 CCCC(=O)SCC[N+](C)(C)C 22062 [0,2,0,0,0,0|1,1,0]=4 41 B9R1.1 O=C1CCC(CO)CC1 26238 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.11 O=C(CCl)N1CCCC1 25943 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.79 NCC(=O)NC1CCC1 18681 [1,0,0,1,0,0|2,0,0]=4 44 B11R1.16 CCOC(=O)N1CCNCC1 26970 [0,1,0,1,0,0|2,0,0]=4 45 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 23303 [0,1,0,1,0,0|2,0,0]=4