0 B8R1.4 CC1CC(N)CCO1 SPC-m997 [2,0,0,0,0,0|2,0,0]=4 1 B8R1.4 CC1CC(O)CCN1 SPC-p253 [2,0,0,0,0,0|2,0,0]=4 2 B8R1.4 CC1CC(O)CCN1 SPC-r050 [2,0,0,0,0,0|2,0,0]=4 3 B8R1.4 CC1CC(O)CCO1 SPC-g891 [2,0,0,0,0,0|1,0,0]=3 4 B8R1.4 C[C@@H]1C[C@H](O)CCN1 SPC-m097 [2,0,0,0,0,0|2,0,0]=4 5 B8R1.4 C[C@H]1C[C@@H](O)CCN1 SPC-u060 [2,0,0,0,0,0|2,0,0]=4 6 B8R1.4 NC1COCC(O)C1 SPC-t029 [2,0,0,0,0,0|1,0,0]=3 7 B8R1.4 N[C@H]1CCC[C@H](O)C1 SPC-n635 [2,0,0,0,0,0|2,0,0]=4 8 B8R1.5 CC1CCNCC1O SPC-p589 [2,0,0,0,0,0|2,0,0]=4 9 B8R1.5 CC1CNCCC1O SPC-m644 [2,0,0,0,0,0|2,0,0]=4 10 B8R1.5 C[C@@H]1CCNC[C@H]1O SPC-q479 [2,0,0,0,0,0|2,0,0]=4 11 B8R1.5 C[C@H]1CCNC[C@H]1O SPC-p949 [2,0,0,0,0,0|2,0,0]=4 12 B8R1.5 N[C@@H]1CCCC[C@H]1O SPC-t809 [2,0,0,0,0,0|2,0,0]=4 13 B8R1.5 N[C@@H]1CCOC[C@@H]1F SPC-h024 [2,0,0,0,0,0|2,0,0]=4 14 B8R1.5 N[C@@H]1CCOC[C@@H]1F SPC-s058 [2,0,0,0,0,0|2,0,0]=4 15 B8R1.5 N[C@@H]1CCOC[C@@H]1O SPC-i900 [2,0,0,0,0,0|1,0,0]=3 16 B8R1.5 N[C@@H]1CCOC[C@H]1F SPC-m647 [2,0,0,0,0,0|2,0,0]=4 17 B8R1.5 N[C@@H]1CCOC[C@H]1F SPC-u621 [2,0,0,0,0,0|2,0,0]=4 18 B8R1.5 N[C@@H]1CCOC[C@H]1O SPC-m006 [2,0,0,0,0,0|1,0,0]=3 19 B8R1.5 N[C@@H]1CCOC[C@H]1O SPC-m655 [2,0,0,0,0,0|1,0,0]=3 20 B8R1.5 N[C@@H]1COCC[C@@H]1O SPC-p945 [2,0,0,0,0,0|1,0,0]=3 21 B8R1.5 N[C@@H]1COCC[C@H]1O SPC-h523 [2,0,0,0,0,0|1,0,0]=3 22 B8R1.5 N[C@@H]1COCC[C@H]1O SPC-t948 [2,0,0,0,0,0|1,0,0]=3 23 B8R1.5 N[C@H]1CCOC[C@@H]1F SPC-k063 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.5 N[C@H]1CCOC[C@@H]1F SPC-q529 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.5 N[C@H]1CCOC[C@@H]1O SPC-m654 [2,0,0,0,0,0|1,0,0]=3 26 B8R1.5 N[C@H]1CCOC[C@H]1O SPC-n772 [2,0,0,0,0,0|1,0,0]=3 27 B8R1.5 N[C@H]1COCC[C@@H]1O SPC-h590 [2,0,0,0,0,0|1,0,0]=3 28 B8R1.5 OC1CCOCC1F SPC-n060 [2,0,0,0,0,0|1,0,0]=3 29 B8R1.5 O[C@@H]1CCNC[C@H]1O SPC-q472 [2,0,0,0,0,0|1,0,0]=3 30 B8R1.5 O[C@@H]1CCNC[C@H]1O SPC-r059 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.5 O[C@@H]1CCOC[C@@H]1F SPC-s067 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.5 O[C@H]1CCNC[C@@H]1F SPC-m667 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.5 O[C@H]1CCNC[C@H]1F SPC-s060 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.5 O[C@H]1CCOC[C@@H]1F SPC-u964 [2,0,0,0,0,0|1,0,0]=3 35 B8R1.5 O[C@H]1CCOC[C@H]1F SPC-r349 [2,0,0,0,0,0|1,0,0]=3 36 B8R1.5 O[C@H]1CCOC[C@H]1F SPC-s059 [2,0,0,0,0,0|1,0,0]=3 37 B8R1.5 O[C@H]1CNCC[C@@H]1F SPC-q484 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.5 O[C@H]1CNCC[C@H]1O SPC-j905 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.3 C[C@H]1CC[C@@H](O)CN1 SPC-u032 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SPC-g837 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SPC-k248 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.3 O[C@H]1CC[C@@H](O)CC1 SPC-n343 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.3 O[C@H]1CC[C@H](O)CC1 SPC-n631 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.34 N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O SPC-n658 [0,1,0,0,1,0|1,0,0]=3