0 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 CCC\C=C\C(C)=O SC-49007 [1,0,0,0,0,0|1,0,1]=3 2 B7R0.4 CNCCCN(C)C SC-95620 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,0,0,0,0,0|1,0,1]=3 4 B9R0.1 C=C\C(C)=C\CC=C(C)C SC-20483 [0,1,0,0,0,0|1,0,2]=4 5 B9R0.1 CC(C)=CCCC(C)C=O SC-79180 [0,1,0,0,0,0|0,0,1]=2 6 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,1,0,0,0,0|1,0,1]=3 7 B9R1.35 CC(=O)N1CCC(O)C1 SC-00079 [0,0,0,1,0,0|2,0,0]=3 8 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.66 CC1(C)CC(N)CCO1 SC-A4709 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.66 CC1(C)CCCC(=O)C1 SC-67598 [0,0,0,1,0,0|2,0,1]=4 11 B7R0.6 CC(=O)OCC(C)C SC-25600 [0,0,0,0,1,0|3,0,0]=4 12 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,0,0,0,1,0|1,0,2]=4 13 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,0,0,0,1,0|3,0,0]=4 14 B7R0.6 CC(O)CCC(C)O SC-92842 [0,0,0,0,1,0|1,0,1]=3 15 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,0,0,0,1,0|2,0,1]=4 16 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,0,0,0,1,0|2,0,1]=4 17 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,0,0,0,1,0|3,0,0]=4 18 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [0,0,0,0,1,0|1,0,1]=3 19 B6R0.4 C=C(C)CNCC SC-47240 [2,0,0,0,0,0|1,0,1]=4 20 B6R0.4 C=CCCC(=O)O SC-25836 [2,0,0,0,0,0|1,0,1]=4 21 B6R0.4 CC(=O)CCCBr SC-91341 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.4 CCCCC(=O)Cl SC-46867 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 CN(C)CCCBr SC-12824 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.4 CN(C)CCCBr SC-48972 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.4 CN(C)CCCCl SC-18516 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.4 CN(C)CCCCl SC-53120 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.4 CNCCN(C)C SC-29103 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.4 COCCN(C)C SC-21743 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.6 CCCCCNC SC-25672 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.6 CCC\C=C\C=O SC-25240 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.6 CCOCCCO SC-00354 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.6 CNCCCCO SC-13108 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.6 C\C=C\CCCO SC-48265 [2,0,0,0,0,0|0,0,0]=2 34 B8R0.7 CC(C)OCCCCO SC-82574 [1,1,0,0,0,0|0,0,2]=4 35 B8R0.7 CCCCCCC(C)O SC-47133 [1,1,0,0,0,0|0,0,2]=4 36 B8R0.8 CCCCC(=O)C(=O)[O-] SC-94857 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.9 CC(C)NCC(O)CO SC-22206 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.23 C=C(CC(C)C)C(C)=O SC-A2921 [0,1,0,0,1,0|2,0,0]=4 39 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [0,1,0,0,1,0|2,0,0]=4 40 B10R0.3 CC(C)=CCC[C@H](C)CCO SC-49208 [0,2,0,0,0,0|0,0,0]=2 41 B10R0.3 CC(C)=CCC\C(C)=C\CO SC-22671 [0,2,0,0,0,0|0,0,1]=3 42 B10R0.82 C=C(C)C(=O)OCC(O)CO SC-20323 [0,2,0,0,0,0|1,0,1]=4 43 B8R1.1 CN1CCC(CO)C1 SC-48010 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.1 CN1CC[C@@H](CO)C1 SC-A3243 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.1 O=C1CC(CO)CN1 SC-66045 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.4 CC1CC(O)CCO1 SC-15639 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.4 CC1CCNC(=O)C1 SC-65553 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.4 CC1CCNC(C)C1 SC-05916 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.4 O=C1CC(O)CCN1 SC-14921 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.4 O=C1CC(O)CCN1 SC-26449 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.4 O=C1CCCC(O)C1 SC-52929 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.6 CN1CC(CCO)C1 SC-A2928 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.7 C=C(C)C1=NCCO1 SC-47290 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.7 CC(=O)C1CCCC1 SC-69830 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.7 O=C(O)C1CC=CC1 SC-25940 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.22 O=C1C=CCCCC1 SC-99582 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.72 CC1(O)CCCCC1 SC-44648 [1,0,0,1,0,0|0,0,2]=4 58 B8R1.3 CC1=CCC(=O)CC1 SC-25236 [0,0,0,1,1,0|0,0,2]=4 59 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,0,0,1,1,0|0,0,2]=4 60 B8R1.3 CC1CCC(N)CC1 SC-15967 [0,0,0,1,1,0|1,0,1]=4 61 B8R1.3 CC1CCC(N)CC1 SC-54542 [0,0,0,1,1,0|1,0,1]=4 62 B8R1.3 CN1CCC(Br)CC1 SC-24214 [0,0,0,1,1,0|2,0,0]=4 63 B8R1.3 CN1CCC(Cl)CC1 SC-05324 [0,0,0,1,1,0|2,0,0]=4 64 B8R1.3 C[C@H]1CN[C@H](C)CO1 SC-42238 [0,0,0,1,1,0|1,0,1]=4 65 B8R1.3 NC1CCC(=O)CC1 SC-51421 [0,0,0,1,1,0|2,0,0]=4 66 B8R1.3 NC1CCC(=O)CC1 SC-94303 [0,0,0,1,1,0|2,0,0]=4 67 B8R1.3 NC1CCC(O)CC1 SC-26489 [0,0,0,1,1,0|1,0,1]=4 68 B8R1.3 NC1CCC(O)CC1 SC-43558 [0,0,0,1,1,0|1,0,1]=4 69 B8R1.3 NC1CCC(O)CC1 SC-45530 [0,0,0,1,1,0|1,0,1]=4 70 B8R1.3 N[C@H]1CC[C@H](O)CC1 SC-03065 [0,0,0,1,1,0|1,0,1]=4 71 B8R1.3 N[C@H]1CC[C@H](O)CC1 SC-21292 [0,0,0,1,1,0|1,0,1]=4 72 B8R1.3 O=C1CCC(O)CC1 SC-22101 [0,0,0,1,1,0|1,0,0]=3 73 B8R1.3 O=C1CCC(O)CN1 SC-14920 [0,0,0,1,1,0|2,0,0]=4 74 B8R1.3 OC1CCC(O)CC1 SC-22723 [0,0,0,1,1,0|1,0,1]=4 75 B8R1.3 O[C@H]1CC[C@H](O)CC1 SC-51814 [0,0,0,1,1,0|1,0,1]=4 76 B10R1.113 CC(=O)N1CCC[C@H](O)C1 SC-88350 [0,0,0,1,0,1|1,0,1]=4 77 B10R1.13 CC(=O)N1CCC(O)CC1 SC-15455 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.13 CC(C)N1CCC(O)CC1 SC-22824 [0,1,0,1,0,0|1,0,1]=4 79 B10R1.13 CN(C)C1CCC(O)CC1 SC-00462 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.14 COC(=O)C1CCC(O)C1 SC-A2862 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.14 COC(=O)C1CCC(O)C1 SC-A3344 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 SC-84077 [0,1,0,1,0,0|1,0,1]=4 83 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,0,0,0,2,0|1,0,1]=4 84 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,0,0,0,2,0|1,0,1]=4 85 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,0,0,0,2,0|1,0,1]=4 86 B6R0.2 CC(Cl)CN(C)C SC-81232 [0,0,0,0,2,0|2,0,0]=4 87 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,0,0,0,2,0|2,0,0]=4