0 B8R0.10 OCC(CCl)(CCl)CCl SPC-g871 [0,1,0,0,0,0|3,0,0]=4 1 B8R1.52 C[C@]1(CN)CCOC1 SPC-h504 [0,0,0,1,0,0|3,0,0]=4 2 B8R1.52 N[C@@]1(CO)CCOC1 SPC-h719 [0,0,0,1,0,0|1,0,0]=2 3 B8R1.52 OC[C@]1(O)CCNC1 SPC-p278 [0,0,0,1,0,0|3,0,0]=4 4 B8R1.60 BrCC1(CBr)COC1 SPC-a065 [0,0,0,1,0,0|3,0,0]=4 5 B8R1.60 CCC1(CN)COC1 SPC-h799 [0,0,0,1,0,0|3,0,0]=4 6 B8R1.60 CCC1(CO)COC1 SPC-g128 [0,0,0,1,0,0|2,0,0]=3 7 B8R1.60 CNC1(CO)COC1 SPC-i818 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.60 COC1(CO)COC1 SPC-s676 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.60 ClCC1(CBr)COC1 SPC-v537 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.60 ClCC1(CCl)COC1 SPC-a064 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.60 ClCC1(CI)COC1 SPC-i311 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.60 NCC1(CN)COC1 SPC-a212 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.60 NCC1(CN)COC1 SPC-i088 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.60 NCC1(CO)CCC1 SPC-h921 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.60 NCC1(CO)COC1 SPC-a049 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.60 NCC1(CO)COC1 SPC-a049 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.60 NCC1(CO)COC1 SPC-n855 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.60 OCC1(CBr)COC1 SPC-g810 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.60 OCC1(CO)CCC1 SPC-a321 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.60 OCC1(CO)CNC1 SPC-i699 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.60 OCC1(CO)COC1 SPC-h942 [0,0,0,1,0,0|1,0,0]=2 22 B5R0.3 C=C(CO)CO SPC-g493 [2,0,0,0,0,0|0,0,2]=4 23 B5R0.3 NC[C@@H](F)CO SPC-s654 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.3 NC[C@H](F)CO SPC-s667 [2,0,0,0,0,0|2,0,0]=4 25 B5R0.4 CC(C)(F)CO SPC-t593 [2,0,0,0,0,0|1,0,0]=3 26 B5R0.4 CC(C)(O)CN SPC-g498 [2,0,0,0,0,0|2,0,0]=4 27 B7R1.14 C[C@]1(N)CCOC1 SPC-m234 [1,0,0,1,0,0|1,0,0]=3 28 B7R1.17 CC1(C)CC[C@@H]1O SPC-s189 [1,0,0,1,0,0|2,0,0]=4 29 B7R1.25 C=CC1(N)COC1 SPC-w026 [1,0,0,1,0,0|1,0,1]=4 30 B7R1.25 CC1(CBr)COC1 SPC-h211 [1,0,0,1,0,0|2,0,0]=4 31 B7R1.25 CC1(CI)COC1 SPC-g872 [1,0,0,1,0,0|2,0,0]=4 32 B7R1.25 CC1(CN)COC1 SPC-a025 [1,0,0,1,0,0|2,0,0]=4 33 B7R1.25 CC1(CO)CCC1 SPC-o100 [1,0,0,1,0,0|2,0,0]=4 34 B7R1.25 CC1(CO)CNC1 SPC-i603 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.25 CC1(CO)COC1 SPC-a028 [1,0,0,1,0,0|1,0,0]=3 36 B7R1.25 CC1(CO)CSC1 SPC-a105 [1,0,0,1,0,0|1,1,0]=4 37 B7R1.25 CCC1(N)CNC1 SPC-s932 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.25 CCC1(N)COC1 SPC-i068 [1,0,0,1,0,0|1,0,0]=3 39 B7R1.25 CCC1(O)COC1 SPC-w032 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.25 C[C@]1(CO)CCO1 SPC-v359 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.25 FC1(CBr)COC1 SPC-i451 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.25 FC1(CI)COC1 SPC-i416 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.25 N#CC1(N)COC1 SPC-i949 [1,0,0,1,0,0|1,0,1]=4 44 B7R1.25 NC1(CF)COC1 SPC-v304 [1,0,0,1,0,0|1,0,0]=3 45 B7R1.25 NC1(CO)CCC1 SPC-h940 [1,0,0,1,0,0|1,0,0]=3 46 B7R1.25 NC1(CO)COC1 SPC-a048 [1,0,0,1,0,0|0,0,0]=2 47 B7R1.25 NCC1(F)COC1 SPC-a078 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.25 NCC1(N)CCC1 SPC-w108 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.25 NCC1(N)COC1 SPC-i378 [1,0,0,1,0,0|1,0,0]=3 50 B7R1.25 NCC1(O)COC1 SPC-a035 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.25 OCC1(F)CNC1 SPC-i385 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.25 OCC1(F)COC1 SPC-a358 [1,0,0,1,0,0|1,0,0]=3 53 B7R1.25 OCC1(O)CNC1 SPC-n325 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.25 OCC1(O)COC1 SPC-p277 [1,0,0,1,0,0|1,0,0]=3 55 B7R1.29 NCC1(CO)CC1 SPC-u240 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.1 BrC[C@H]1CCOC1 SPC-h480 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.1 IC[C@H]1CCOC1 SPC-j340 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.1 NC[C@@H]1CCOC1 SPC-j343 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.1 NC[C@@H]1CCOC1 SPC-j344 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.1 NC[C@H]1CCOC1 SPC-g368 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.1 NC[C@H]1CCOC1 SPC-g369 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.1 NC[C@H]1CCOC1 SPC-j341 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.1 OCC1CC=CC1 SPC-m309 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.1 OC[C@@H]1CCNC1 SPC-k806 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.1 OC[C@@H]1CCNC1 SPC-n751 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.1 OC[C@@H]1CCOC1 SPC-h734 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.1 OC[C@H]1CCNC1 SPC-k804 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.1 OC[C@H]1CCNC1 SPC-k805 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.1 OC[C@H]1CCNC1 SPC-n768 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.1 OC[C@H]1CCOC1 SPC-j339 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.1 OC[C@H]1CCOC1 SPC-n475 [1,0,0,1,0,0|1,0,0]=3 72 B9R1.118 CCC1(N)CCOCC1 SPC-p229 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.118 NC1(CO)CCOCC1 SPC-m016 [0,1,0,1,0,0|1,0,0]=3 74 B9R1.118 NC1(CO)CCOCC1 SPC-m017 [0,1,0,1,0,0|1,0,0]=3 75 B9R1.118 OCC1(F)CCOCC1 SPC-m018 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.124 NC1CC(CO)(CO)C1 SPC-i610 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.124 OCC1(CO)CC(O)C1 SPC-i917 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.175 NCC1(CCO)COC1 SPC-a039 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.119 OCC1(C(F)F)COC1 SPC-t112 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.163 N[C@@]1(C(=O)O)CCOC1 SPC-m540 [0,1,0,1,0,0|1,0,1]=4 81 B9R2.140 O[C@H]1CCC12COC2 SPC-u900 [0,0,0,2,0,0|2,0,0]=4