0 B6R0.6 CCCCCCBr S19038 [1,0,0,0,0,0|2,0,0]=3 1 B6R0.6 ICCOCCI I12663 [1,0,0,0,0,0|2,1,0]=4 2 B8R0.4 ClCCCOCCCCl C16437 [0,1,0,0,0,0|2,1,0]=4 3 B8R0.4 ClCCCOCCCCl C16437 [0,1,0,0,0,0|2,1,0]=4 4 B8R0.7 CCCCCC[C@H](C)O O2182 [0,1,0,0,0,0|2,0,0]=3 5 B8R1.2 BrCC1CCCCC1 B12603 [0,0,0,1,0,0|3,0,0]=4 6 B8R1.2 CCC1CCCCN1 E3360 [0,0,0,1,0,0|2,0,0]=3 7 B8R1.2 CCC1CNCCN1 E5557 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.2 CCC1CNCCO1 E17046 [0,0,0,1,0,0|2,1,0]=4 9 B8R1.2 CNC1CCCCC1 M18798 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.2 CNC1CCCNC1 M8469 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.2 COC1CCCNC1 M14733 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.2 NCC1CCCCN1 A4969 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.2 NCC1CCCNC1 A18064 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.2 NCC1CCCNC1 A1819 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 OCC1CCCCN1 P11278 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.2 OCC1CCCNC1 P11620 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.5 CC1CCCCC1N M11246 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.8 CCCC1CCCN1 P17208 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.8 ClCCN1CCCC1 C7818 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.8 OCC[C@@H]1CCCN1 P17212 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.11 CC1CNCC1CN M13842 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.22 CC1CCNCCN1 M15502 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.22 CN1CCCNCC1 M3447 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.22 NC1CCCCNC1 A18228 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.36 CCCNCC1CC1 P2232 [0,0,0,1,0,0|2,0,0]=3 26 B5R0.2 CNCCCN M14932 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.2 NCCCCO A18122 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.2 OCCCCBr B18469 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.3 CCCCC(O)CN A13447 [1,1,0,0,0,0|2,0,0]=4 30 B9R0.45 OCCCCCCCCBr B18489 [0,2,0,0,0,0|2,0,0]=4 31 B9R0.46 CCCCOCC(O)CN A13314 [0,2,0,0,0,0|1,1,0]=4 32 B7R1.1 BrCC1CCCC1 B18461 [1,0,0,1,0,0|2,0,0]=4 33 B7R1.1 CCC1CCCN1 E15991 [1,0,0,1,0,0|1,0,0]=3 34 B7R1.1 NC[C@H]1CCCO1 T11002 [1,0,0,1,0,0|1,1,0]=4 35 B7R1.1 OC[C@@H]1CCCN1 P2200 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.1 OC[C@H]1CCCN1 P6137 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.1 OC[C@H]1CCCN1 P6137 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.3 BrC1CCCNC1 B7611 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.3 CC1CCCCN1 M6451 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.3 CC1CCCNC1 P3032 [1,0,0,1,0,0|1,0,0]=3 41 B7R1.3 CC1CCNCC1 M11273 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.3 CN1CCCCC1 M3042 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.3 C[C@@H]1CNCCN1 R6055 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.3 C[C@H]1CCCCN1 M3041 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.3 NC1CCCNC1 A11018 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.3 NC1CCCNC1 P19410 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.3 NC1CCCNC1 P7273 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.3 N[C@@H]1CCCNC1 A3658 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.3 N[C@H]1CCCNC1 A11799 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.3 OC1CCCNC1 H6045 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.3 OC1CCCNC1 P11038 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.3 O[C@@H]1CCCNC1 R6046 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.3 O[C@@H]1CCCNC1 R6046 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.3 O[C@H]1CCCNC1 P3031 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.8 ClCCC1CCCCN1 C7479 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.8 NCCC1CCCCN1 A13370 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.8 NCCC1CCCNC1 A13371 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.8 OCCC1CCCCN1 P6153 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.12 CCCCC1CCCN1 B15289 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.12 OCCCC1CCCN1 P17209 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.27 CCC1C(=O)NCC1C E17699 [0,1,0,1,0,0|2,0,0]=4