0 B7R0.18 CC(CO)(CO)CO SC-27687 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.18 NC(CO)(CO)CO SC-46286 [0,0,0,0,0,0|0,0,0]=0 2 B6R0.8 CC(C)(CN)CO SC-65465 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.8 CC(C)(CO)CBr SC-92906 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.8 CC(N)(CO)CO SC-44686 [1,0,0,0,0,0|0,0,0]=1 5 B6R0.8 CCC(C)(N)C#N SC-89513 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.8 COC(C)(C)CO SC-90238 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.8 NCC(F)(F)CO SC-A2137 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.8 OCC(F)(F)CO SC-A2616 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.9 OCC(CO)CO SC-43670 [1,0,0,0,0,0|0,0,0]=1 10 B8R0.10 CCC(CO)(CO)CO SC-91960 [0,1,0,0,0,0|1,0,0]=2 11 B8R0.10 NCC(CN)(CN)CO SC-90330 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.52 NC1(CO)CCCC1 SC-89144 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.60 BrCC1(CBr)COC1 SC-86049 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.60 ClCC1(CCl)COC1 SC-48080 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.60 N#CC1(CO)COC1 SC-A2184 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.60 OCC1(CO)COC1 SC-53828 [0,0,0,1,0,0|1,0,0]=2 17 B5R0.3 C=C(CO)CO SC-17984 [2,0,0,0,0,0|0,0,2]=4 18 B5R0.3 C=C[C@H](N)CO SC-88199 [2,0,0,0,0,0|1,0,1]=4 19 B5R0.3 CC(CO)CBr SC-35572 [2,0,0,0,0,0|1,0,0]=3 20 B5R0.3 CCC(C)CO SC-08990 [2,0,0,0,0,0|1,0,0]=3 21 B5R0.3 CCC(N)CC SC-81736 [2,0,0,0,0,0|2,0,0]=4 22 B5R0.3 CCC(N)CO SC-21072 [2,0,0,0,0,0|1,0,0]=3 23 B5R0.3 CCC(O)CC SC-62307 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.3 CO[C@H](C)CO SC-71357 [2,0,0,0,0,0|2,0,0]=4 25 B5R0.3 NC(CO)CO SC-16669 [2,0,0,0,0,0|0,0,0]=2 26 B5R0.3 NCC(O)CO SC-15511 [2,0,0,0,0,0|1,0,0]=3 27 B5R0.3 NC[C@@H](O)CO SC-06146 [2,0,0,0,0,0|1,0,0]=3 28 B5R0.3 NC[C@H](O)CCl SC-89081 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.3 O=C(CO)CO SC-07450 [2,0,0,0,0,0|0,0,2]=4 30 B5R0.3 O=CC(O)CO SC-04830 [2,0,0,0,0,0|0,0,2]=4 31 B5R0.3 OCC(Br)CBr SC-75335 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.3 OCC(O)CO SC-13789 [2,0,0,0,0,0|0,0,0]=2 33 B5R0.3 OC[C@@H](O)CCl SC-05423 [2,0,0,0,0,0|1,0,0]=3 34 B5R0.3 [C@H](N)(CC)CO SC-08958 [2,0,0,0,0,0|1,0,0]=3 35 B5R0.3 [C@H](O)(CN)CO SC-05739 [2,0,0,0,0,0|1,0,0]=3 36 B5R0.4 C#CC(C)(C)N SC-16037 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.4 CC(C)(Br)CBr SC-97871 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.4 CC(C)(C)CBr SC-24158 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.4 CC(C)(C)CCl SC-48963 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.4 CC(C)(C)CN SC-97733 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.4 CC(C)(C)CO SC-27689 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.4 CC(C)(C)NO SC-44932 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.4 CC(C)(F)CBr SC-84038 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.4 CC(C)(F)CO SC-14344 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.4 CC(C)(N)C#N SC-14060 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.4 CC(C)(N)CF SC-90380 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.4 CC(C)(N)CN SC-47310 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.4 CC(C)(N)CO SC-00654 [2,0,0,0,0,0|0,0,0]=2 49 B5R0.4 CC(C)(O)CBr SC-69889 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.4 CC(C)(O)CCl SC-05342 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.4 CC(C)(O)CN SC-14245 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.4 CC(C)(O)CO SC-93601 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.4 CC(F)(F)CO SC-21322 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.4 CCC(C)(C)[O-] SC-25920 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.13 CC[C@](C)(N)C(=O)O SC-85117 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.13 C[C@@](N)(CS)C(=O)O SC-48129 [1,1,0,0,0,0|0,1,1]=4 57 B9R0.78 CCC(CO)(CO)C(=O)O SC-47214 [0,2,0,0,0,0|1,0,1]=4 58 B7R1.25 CC1(CO)COC1 SC-27080 [1,0,0,1,0,0|1,0,0]=3 59 B7R1.25 FC1(CBr)COC1 SC-A4004 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.25 NC1(CO)CCC1 SC-17718 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.25 NC1(CO)CCC1 SC-B7244 [1,0,0,1,0,0|1,0,0]=3 62 B7R1.25 NC1(CO)COC1 SC-43365 [1,0,0,1,0,0|0,0,0]=2 63 B7R1.25 NCC1(N)CCC1 SC-53140 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.25 OCC1(F)COC1 SC-52804 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.29 NCC1(CO)CC1 SC-89064 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.29 NCC1(CO)CC1 SC-A3139 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.29 OCC1(CO)CC1 SC-13840 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.1 ICC1CCOC1 SC-26534 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.1 NCC1CCOC1 SC-12415 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.1 OCC1CC=CC1 SC-45771 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.1 OCC1CCCC1 SC-03842 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.1 OCC1CCOC1 SC-21250 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.1 OC[C@@H]1CCNC1 SC-48002 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.118 NC1(CO)CCOCC1 SC-92851 [0,1,0,1,0,0|1,0,0]=3 75 B9R1.163 NC1(C(=O)O)CCOC1 SC-35949 [0,1,0,1,0,0|1,0,1]=4 76 B9R2.173 C1CC2(CCOC2)N1 SC-81979 [0,0,0,2,0,0|2,0,0]=4 77 B9R2.173 C1CC2(CCOC2)N1 SC-A2459 [0,0,0,2,0,0|2,0,0]=4