0 B8R0.16 COC(CC(C)=O)OC SC-15190 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.2 CCC(C)CC(=O)O SC-19132 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.2 CCC(N)CC(=O)O SC-59260 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.2 CCC(O)CC(C)=O SC-92943 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.2 COC(=O)CC(=O)Cl SC-16087 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.2 COC(=O)CC(=O)O SC-21351 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.2 NCC(O)CC(=O)O SC-50844 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.12 CNCC(OC)OC SC-26635 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.12 COC(CCBr)OC SC-15080 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.12 COCC(OC)OC SC-73556 [1,0,0,0,0,0|1,0,0]=2 10 B9R0.26 COC(=O)CC(OC)OC SC-20608 [0,1,0,0,0,0|0,0,0]=1 11 B9R0.26 COC(CC(=O)NN)OC SC-89993 [0,1,0,0,0,0|1,0,0]=2 12 B9R0.41 CCC(CC)C(N)C(=O)O SC-59524 [0,1,0,0,0,0|3,0,0]=4 13 B9R0.63 COP(=O)(CC(C)=O)OC SC-18617 [0,1,0,0,0,0|1,0,0]=2 14 B9R0.63 COP(=O)(NC(C)=O)SC SC-80370 [0,1,0,0,0,0|2,1,0]=4 15 B9R1.2 CCC1CC(=O)CCN1 SC-35111 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.13 CN(C)CC1CCCO1 SC-87629 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.13 O=C(O)CC1CCCN1 SC-49134 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.13 O=C(O)CC1CCCN1 SC-70978 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.13 O=C(O)C[C@@H]1CCCN1 SC-86132 [0,0,0,1,0,0|3,0,0]=4 20 B7R0.15 COC(OC)C(C)=O SC-05972 [0,0,0,0,1,0|0,0,0]=1 21 B7R0.15 COC(OC)N(C)C SC-16295 [0,0,0,0,1,0|2,0,0]=3 22 B6R0.1 COC(=O)CC=O SC-53143 [2,0,0,0,0,0|0,0,2]=4 23 B6R0.2 CC(=O)CC(C)=O SC-77723 [2,0,0,0,0,0|0,0,2]=4 24 B6R0.2 CC(=O)NC(C)C SC-A3057 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.2 CC(=O)OC(C)C SC-25616 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [2,0,0,0,0,0|0,0,2]=4 27 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [2,0,0,0,0,0|0,0,2]=4 28 B6R0.2 CN(C)CC(N)=O SC-89197 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.4 CC(=O)CCCBr SC-91341 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.4 CCCCC(=O)Cl SC-46867 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.4 CNCCC(=O)O SC-27492 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.4 CNCCC(=O)O SC-52914 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.4 COCCC(=O)O SC-50255 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.4 COCCN(C)C SC-21743 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.4 CO\C=C\C(C)=O SC-71024 [2,0,0,0,0,0|0,0,2]=4 41 B6R0.4 CSCCC(=O)O SC-96567 [2,0,0,0,0,0|1,1,0]=4 42 B6R0.9 C=CC(OC)OC SC-27140 [2,0,0,0,0,0|0,0,1]=3 43 B6R0.9 CCB(CC)OC SC-22792 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.9 CCC(OC)OC SC-85699 [2,0,0,0,0,0|0,0,0]=2 45 B6R0.9 COC(CBr)OC SC-25586 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.9 COC(CCl)OC SC-23347 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.9 COC(CN)OC SC-15365 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.9 COC(CO)OC SC-71481 [2,0,0,0,0,0|0,0,1]=3 49 B6R0.9 COC(OC)OC SC-16111 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.9 CO[SiH](OC)OC SC-80322 [2,0,0,0,0,0|1,1,0]=4 51 B8R0.2 CCC(C)C(N)C(=O)O SC-09610 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.2 CCC(C)C(N)C(N)=O SC-24873 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC SC-22105 [1,1,0,0,0,0|1,0,0]=3 54 B8R0.19 CCC(=O)CC(=O)OC SC-13642 [1,1,0,0,0,0|0,0,2]=4 55 B8R0.19 COC(=O)CC(=O)CCl SC-22714 [1,1,0,0,0,0|0,0,2]=4 56 B8R0.19 COC(=O)CC(=O)OC SC-25683 [1,1,0,0,0,0|0,0,2]=4 57 B8R0.19 COC(=O)C[C@@H](O)CCl SC-08919 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.23 CC(=O)C(C)CC(=O)O SC-21504 [1,1,0,0,0,0|2,0,0]=4 59 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [1,1,0,0,0,0|1,0,0]=3 60 B8R0.11 COC(CCCCl)OC SC-16980 [1,1,0,0,0,0|0,0,1]=3 61 B8R0.20 COC(=O)C(OC)OC SC-52858 [1,1,0,0,0,0|1,0,1]=4 62 B8R0.36 COC(C)(OC)N(C)C SC-25583 [0,1,0,0,1,0|2,0,0]=4 63 B10R0.45 COC(=O)CCC(OC)OC SC-A3380 [0,1,0,0,0,1|0,0,0]=2 64 B10R0.79 CCOC(CC(=O)O)OCC SC-32753 [0,2,0,0,0,0|1,0,0]=3 65 B10R0.79 CCOC(CC(N)=S)OCC SC-34375 [0,2,0,0,0,0|1,1,0]=4 66 B10R0.79 CCOC(CN(C)C)OCC SC-46993 [0,2,0,0,0,0|2,0,0]=4 67 B10R0.145 COC(CC(OC)OC)OC SC-19158 [0,2,0,0,0,0|0,0,2]=4 68 B8R1.4 CC1CC(=O)CCN1 SC-14913 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.4 CC1CC(=O)CCN1 SC-26346 [1,0,0,1,0,0|1,0,0]=3 70 B8R1.4 CC1CC(=O)CCO1 SC-43658 [1,0,0,1,0,0|0,0,0]=2 71 B8R1.4 CC1CC(O)CCO1 SC-15639 [1,0,0,1,0,0|0,0,2]=4 72 B8R1.4 CC1CCCC(=O)N1 SC-90092 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.4 CC1CCNC(=O)C1 SC-65553 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.4 CN1CCCC(=O)C1 SC-88063 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.4 O=C1CC(O)CCN1 SC-14921 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.4 O=C1CC(O)CCN1 SC-26449 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.4 O=C1CCCC(O)C1 SC-52929 [1,0,0,1,0,0|1,0,0]=3 78 B8R1.34 O=C(O)CC1CCC1 SC-26391 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.42 CC(=O)OC1(C)CC1 SC-91864 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.2 CCC1CNCCO1 SC-61843 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.2 COC1CCCNC1 SC-15522 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.2 COC1CCCNC1 SC-45634 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.8 BrCCC1OCCO1 SC-17714 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.7 CC(=O)C1CCCC1 SC-69830 [0,0,0,1,1,0|2,0,0]=4 85 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [0,0,0,1,1,0|2,0,0]=4 86 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [0,0,0,1,1,0|2,0,0]=4 87 B10R1.18 O=C(O)CC1CNCCO1 SC-91730 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.18 O=C(O)CC1CNCCO1 SC-A4693 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.18 O=C(O)CC1OCCCO1 SC-A2058 [0,1,0,1,0,0|1,0,0]=3 90 B10R2.71 O=C1CC2CCC(C1)O2 SC-51298 [0,0,0,2,0,0|1,0,0]=3 91 B10R2.71 [C@H]12CC[C@H](CC(=O)C1)N2 SC-21470 [0,0,0,2,0,0|2,0,0]=4 92 B6R0.3 CCN(O)C(C)=O SC-69302 [1,0,0,0,1,0|2,0,0]=4 93 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [1,0,0,0,1,0|2,0,0]=4 94 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [1,0,0,0,1,0|2,0,0]=4 95 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [1,0,0,0,1,0|2,0,0]=4 96 B6R0.3 COC(=O)C(C)=O SC-15233 [1,0,0,0,1,0|0,0,2]=4 97 B6R0.3 COC(C)C(=O)O SC-49776 [1,0,0,0,1,0|1,0,0]=3 98 B6R0.3 COC(C)[C@@H](C)N SC-A2593 [1,0,0,0,1,0|1,0,1]=4 99 B6R0.3 CON(C)C(C)=O SC-20924 [1,0,0,0,1,0|1,0,0]=3 100 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [1,0,0,0,1,0|1,0,0]=3 101 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [1,0,0,0,1,0|1,0,0]=3 102 B8R0.9 COC(=O)CCC(C)=O SC-74448 [1,0,0,0,0,1|0,0,2]=4