0 B8R0.3 C=C(CO)C(=O)OCC 32236 [1,0,0,0,0,0|1,0,2]=4 1 B8R0.3 CCOC(=O)C(=O)CBr 17198 [1,0,0,0,0,0|2,0,1]=4 2 B8R0.3 CCOC(=O)C(=O)CC 24313 [1,0,0,0,0,0|1,0,1]=3 3 B8R0.3 CCOC(=O)[C@@H](N)CO 19044 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.3 CCOC(=O)[C@@H](N)CS 10909 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.20 CCN(CC)C(=O)CCl 32343 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.11 CCOC(=O)C1CC=CC1 20010 [0,0,0,1,0,0|0,0,2]=3 7 B10R1.11 CCOC(=O)C1CCCN1 15638 [0,0,0,1,0,0|1,0,0]=2 8 B10R1.11 CCOC(=O)C1CCCO1 7091 [0,0,0,1,0,0|1,0,0]=2 9 B10R1.11 CCOC(=O)C1CCNC1 14291 [0,0,0,1,0,0|1,0,0]=2 10 B10R1.11 CCOC(=O)C1CCNC1 18711 [0,0,0,1,0,0|1,0,0]=2 11 B10R1.11 CCOC(=O)C1CCNC1 20614 [0,0,0,1,0,0|1,0,0]=2 12 B10R1.11 CCOC(=O)[C@H]1CCCN1 45085 [0,0,0,1,0,0|1,0,0]=2 13 B10R0.34 CCOC(=O)\C=C(\CBr)OC 15228 [0,0,0,0,0,1|2,0,1]=4 14 B7R0.5 CCOC(=O)C(C)F 13697 [2,0,0,0,0,0|1,0,0]=3 15 B7R0.5 CCOC(=O)C(C)N 10928 [2,0,0,0,0,0|1,0,0]=3 16 B7R0.5 CCOC(=O)C(F)F 29087 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.5 CCOC(=O)[C@@H](C)O 15558 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.5 CCOC(=O)[C@H](C)N 12964 [2,0,0,0,0,0|1,0,0]=3 19 B7R0.5 CCOC(=O)[C@H](C)O 26157 [2,0,0,0,0,0|1,0,0]=3 20 B7R0.7 C=C(OCC)OCC 32224 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.7 CC#CC(=O)OCC 45161 [2,0,0,0,0,0|0,0,2]=4 22 B7R0.7 CCOC(=O)CCBr 25427 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.7 CCOC(=O)CCN 10927 [2,0,0,0,0,0|1,0,0]=3 24 B7R0.7 CCOC(=O)CNC 10917 [2,0,0,0,0,0|1,0,0]=3 25 B7R0.7 CCOC(=O)CNN 2459 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.7 [C-]#[N+]CC(=O)OCC 2345 [2,0,0,0,0,0|1,0,1]=4 27 B7R0.10 CCC(Br)C(=O)OC 20191 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.10 CC[C@@H](N)C(=O)OC 31750 [2,0,0,0,0,0|1,0,0]=3 29 B7R0.10 COC(=O)C(Cl)CCl 24797 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.10 COC(=O)C(N)CO 10908 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.10 COC(=O)C(O)OC 17980 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.10 COC(=O)[C@@H](N)CO 10895 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.10 COC(=O)[C@@H](N)CS 10881 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.10 COC(=O)[C@H](N)CO 10896 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.15 CC[C@H](CO)C(=O)O 14232 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.15 COC(OC)C(C)=O 9977 [2,0,0,0,0,0|2,0,0]=4 37 B9R0.6 CCOC(=O)C(=O)C(C)C 18179 [1,1,0,0,0,0|1,0,1]=4 38 B9R0.6 CCOC(=O)C(Br)C(C)Br 12650 [1,1,0,0,0,0|1,0,0]=3 39 B9R0.6 CCOC(=O)C(C)C(C)=O 15839 [1,1,0,0,0,0|0,0,1]=3 40 B9R0.6 CCOC(=O)C(F)C(C)=O 25422 [1,1,0,0,0,0|1,0,1]=4 41 B9R0.6 CCOC(=O)[C@@H](N)C(C)C 14928 [1,1,0,0,0,0|1,0,0]=3 42 B9R0.6 CCOC(=O)[C@H](O)C(C)C 15559 [1,1,0,0,0,0|1,0,0]=3 43 B9R0.19 CCOC(=O)C(C)(C)C#N 23352 [1,1,0,0,0,0|1,0,1]=4 44 B9R0.19 CCOC(=O)C(C)(C)CN 19345 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.19 CCOC(=O)C(F)(F)CN 17369 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.35 CCC[C@@H](N)C(=O)OCC 34971 [1,1,0,0,0,0|1,0,0]=3 47 B9R0.35 CCC[C@H](N)C(=O)OCC 34972 [1,1,0,0,0,0|1,0,0]=3 48 B9R0.35 CCOC(=N)C(=O)OCC 35840 [1,1,0,0,0,0|1,0,1]=4 49 B11R0.175 CCOC(=O)C(C(C)=O)C(C)C 35175 [0,2,0,0,0,0|0,0,1]=3 50 B9R1.5 CN1CCCCCC1=O 36383 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.5 NC1CCCCNC1=O 20137 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.5 N[C@@H]1CCCCNC1=O 30434 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.5 N[C@H]1CCCCNC1=O 14097 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.15 CCC1CCCOC1=O 26311 [1,0,0,1,0,0|0,0,0]=2 55 B9R1.15 O=C1CCCCC1CO 20380 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.74 CCOC(=O)C1(N)CC1 14733 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.27 CCC1C(=O)CCC1=O 35624 [1,0,0,1,0,0|1,0,1]=4 58 B11R1.30 CCOC(=O)CC1CCCO1 15629 [0,0,0,1,0,1|1,0,0]=3 59 B11R1.15 CCOC(=O)C1CCC(=O)C1 30277 [0,1,0,1,0,0|0,0,1]=3 60 B11R1.15 CCOC(=O)N1CCC(=O)C1 13436 [0,1,0,1,0,0|1,0,1]=4 61 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 15818 [0,1,0,1,0,0|1,0,1]=4 62 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 18616 [0,1,0,1,0,0|1,0,1]=4 63 B11R1.15 CCOC(=O)[C@H]1C[C@@H](O)CN1 5632 [0,1,0,1,0,0|1,0,0]=3 64 B11R1.16 CCOC(=O)C1CCCCC1 36040 [0,1,0,1,0,0|0,0,0]=2 65 B11R1.16 CCOC(=O)C1CCCCN1 17507 [0,1,0,1,0,0|0,0,0]=2 66 B11R1.16 CCOC(=O)C1CCCCN1 7720 [0,1,0,1,0,0|0,0,0]=2 67 B11R1.16 CCOC(=O)C1CCCNC1 7719 [0,1,0,1,0,0|0,0,0]=2 68 B11R1.16 CCOC(=O)C1CCNCC1 26169 [0,1,0,1,0,0|0,0,0]=2 69 B11R1.16 CCOC(=O)C1CCNCC1 7219 [0,1,0,1,0,0|0,0,0]=2 70 B11R1.16 CCOC(=O)C1CNCCO1 32242 [0,1,0,1,0,0|1,0,0]=3 71 B11R1.16 CCOC(=O)C1SCCCS1 22055 [0,1,0,1,0,0|1,0,0]=3 72 B11R1.16 CCOC(=O)N1CCNCC1 15287 [0,1,0,1,0,0|1,0,0]=3 73 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 23481 [0,1,0,1,0,0|0,0,0]=2 74 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 11757 [0,1,0,1,0,0|0,0,0]=2 75 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 16883 [0,1,0,1,0,0|0,0,0]=2 76 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 5874 [0,1,0,1,0,0|0,0,0]=2 77 B11R1.16 CCOC(=O)[C@H]1CCCNC1 11758 [0,1,0,1,0,0|0,0,0]=2 78 B11R1.16 CCOC(=O)[C@H]1CCCNC1 11760 [0,1,0,1,0,0|0,0,0]=2 79 B11R1.199 CCOC(=O)C1CCCC1=O 14157 [0,1,0,1,0,0|0,0,1]=3 80 B11R1.199 CCOC(=O)C1COCC1=O 35513 [0,1,0,1,0,0|1,0,1]=4 81 B11R1.381 CCN1CCCC[C@H](N)C1=O 6395 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.835 CCOC(=O)C1(C(C)=O)CC1 21700 [0,1,0,1,0,0|0,0,1]=3 83 B11R1.819 CCOC(=O)C1(N)CCCC1 15636 [0,1,0,1,0,0|0,0,0]=2 84 B11R2.3 O=C1NCCC12CCCC2 23931 [0,0,0,2,0,0|1,0,0]=3 85 B11R2.3 O=C1NCCC12CCNC2 34326 [0,0,0,2,0,0|2,0,0]=4 86 B11R2.202 O=C1OC(=O)C2CCCC12 20866 [0,0,0,2,0,0|1,0,1]=4 87 B9R0.34 CCOC(=O)C[C@@H](O)CCl 5919 [1,0,0,0,0,1|2,0,0]=4 88 B9R0.34 CCOC(=O)C[C@H](O)CC 15561 [1,0,0,0,0,1|1,0,0]=3 89 B9R0.34 CCOC(=O)C[C@H](O)CCl 5783 [1,0,0,0,0,1|2,0,0]=4 90 B9R0.34 CCOC(=O)C[C@H](O)CI 31814 [1,0,0,0,0,1|2,0,0]=4 91 B9R0.34 CCOC(=O)\C=C(/C)NC 12807 [1,0,0,0,0,1|1,0,1]=4