0 B7R0.3 C=CCCC(C)CC SC-69778 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.3 C=CCCC(O)CN SC-34956 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.3 COC(=O)CCC#N SC-20469 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 COC(=O)CCCBr SC-46963 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 C=CC[C@@H](O)CCl SC-30233 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.1 C=CC[C@H](O)CCl SC-31067 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.1 CCC(=O)CC#N SC-26865 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.1 COC(=O)CC#N SC-19134 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 COC(=O)CCCl SC-19880 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 C=CCNC(C)=O SC-48071 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.4 C=CNCC(=O)O SC-21370 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 CC(=O)NCCCl SC-49821 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CC(=O)OCCO SC-95931 [1,0,0,0,0,0|1,1,1]=4 13 B6R0.6 C=CCCCCN SC-34878 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 C=CCCCCO SC-44461 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 C=CCCCC[Zn+] SC-89392 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.6 C=CCOCCI SC-50512 [1,0,0,0,0,0|1,1,1]=4 17 B6R0.6 C=CCOCCO SC-25613 [1,0,0,0,0,0|1,1,1]=4 18 B8R0.1 CCOC(=O)CCCBr SC-03228 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.3 C=CC[C@@H](N)C(=O)OC SC-69286 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.3 C=CC[C@@H](O)C(=O)OC SC-14276 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.3 C=CC[C@H](O)C(=O)OC SC-14277 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.9 COC(=O)CCC(N)=O SC-88449 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.9 NCC(=O)CCC(=O)O SC-52394 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.9 NCC(=O)NCC(=O)O SC-17448 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.1 CCC1=NC(C)=CS1 SC-75930 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.2 CCC1=NC=CC=N1 SC-87506 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.3 CC1CCC(=O)CC1 SC-27685 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.3 O=C1CC[C@@H](O)CN1 SC-69872 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.3 O=C1CC[C@H](O)CN1 SC-69873 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.5 CC1=CC=NNC1=O SC-23959 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.5 CC1CCCNC1=O SC-53234 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.50 CC1=C(O)CCC1=O SC-66441 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.50 CC1=NNC(=O)C1C SC-21957 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.50 CN1C(=O)CSC1=S SC-49581 [0,0,0,1,0,0|2,1,0]=4 35 B8R1.50 O=C1CCC(=O)C1Cl SC-47843 [0,0,0,1,0,0|3,0,0]=4 36 B5R0.1 C=CCC(C)O SC-49226 [2,0,0,0,0,0|0,0,2]=4 37 B5R0.1 CC(=O)NCO SC-19774 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.1 COCC(C)=O SC-81373 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.2 C=CCCC=C SC-65418 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.2 C=CCCC=C SC-91437 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.2 C=COCCC SC-13613 [2,0,0,0,0,0|0,1,1]=4 42 B5R0.2 CCSCCBr SC-16797 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.2 CCSCCN SC-65401 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.3 CCC(=O)CN SC-94912 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.3 CNC(=O)CCl SC-27694 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.3 CNC(=O)CO SC-48574 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.3 CNC(=O)NC SC-15870 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.3 O=C(CF)CF SC-49840 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.2 CCC(=O)OC(C)=O SC-96821 [1,1,0,0,0,0|0,1,1]=4 50 B7R0.2 COC(=O)CC(C)=O SC-65271 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.5 CCOC(=O)[C@@H](C)N SC-41949 [1,1,0,0,0,0|0,1,1]=4 52 B7R0.5 CCOC(=O)[C@H](C)N SC-50937 [1,1,0,0,0,0|0,1,1]=4 53 B7R0.4 C=CCOCC(=O)O SC-35140 [1,1,0,0,0,0|1,1,0]=4 54 B7R0.6 CC(=O)OCC(=O)Cl SC-17748 [1,1,0,0,0,0|1,1,0]=4 55 B7R0.6 CC(=O)OCC(=O)O SC-65254 [1,1,0,0,0,0|1,1,0]=4 56 B9R0.5 C\C=C\C=C\C(=O)OCC SC-65183 [0,2,0,0,0,0|1,0,1]=4 57 B9R0.8 C=CCCC(=O)N(C)OC SC-28967 [0,2,0,0,0,0|2,0,0]=4 58 B9R0.18 C=CCNC(=O)NCC=C SC-74317 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.18 C=CCNC(=S)NCCO SC-44858 [0,2,0,0,0,0|1,1,0]=4 60 B9R0.1 COC(=O)CSCC(C)=O SC-68739 [0,2,0,0,0,0|1,0,1]=4 61 B9R0.22 C=CC(C)(C)CC(=O)OC SC-74436 [0,2,0,0,0,0|2,0,0]=4 62 B7R1.1 CCC1=NC=CN1 SC-52244 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.1 COC1=NC=CS1 SC-46438 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.1 NCC1=NC=CS1 SC-27265 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.2 CC1CCC(=O)N1 SC-89347 [1,0,0,1,0,0|1,0,1]=4 66 B7R1.2 CC1CSC(=O)S1 SC-51669 [1,0,0,1,0,0|1,0,1]=4 67 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [1,0,0,1,0,0|0,1,1]=4 68 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [1,0,0,1,0,0|0,1,1]=4 69 B7R1.2 O=C1CCC(Cl)O1 SC-69818 [1,0,0,1,0,0|1,1,0]=4 70 B7R1.3 CN1CC=CCC1 SC-20668 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.3 CN1CC=CCC1 SC-43820 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.4 CC1=C(Cl)SC=C1 SC-01084 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.4 CC1OCCC1=O SC-03396 [1,0,0,1,0,0|1,0,1]=4 74 B9R1.27 CCC1=C(C)CNC1=O SC-46219 [0,1,0,1,0,0|1,0,1]=4 75 B9R1.33 C=CCC1CCNC1=O SC-26246 [0,1,0,1,0,0|1,0,0]=3 76 B9R1.11 COC(=O)C1C=CCN1 SC-51004 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.186 COC(=O)C1(C)C=CC1 SC-66216 [0,1,0,1,0,0|2,0,0]=4