0 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [1,0,0,0,0,0|0,0,1]=2 2 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [1,0,0,0,0,0|2,0,1]=4 5 B8R1.50 CC1C(=O)CCC1=O M25293 [1,0,0,0,0,0|1,0,2]=4 6 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.191 CC1=C(C)C(C)C(C)C1=O T50434 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.2 COC(=O)[C@@H](N)C(C)C M68320 [0,0,1,0,0,0|3,0,0]=4 9 B8R0.2 COC(=O)[C@H](N)C(C)C M60727 [0,0,1,0,0,0|3,0,0]=4 10 B8R0.3 C=C(CBr)C(=O)OCC E43400 [0,0,1,0,0,0|3,0,0]=4 11 B8R0.3 C=C(CO)C(=O)OCC E41470 [0,0,1,0,0,0|3,0,0]=4 12 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,0,1,0,0,0|2,0,1]=4 13 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,0,1,0,0,0|2,0,1]=4 14 B8R0.3 CCOC(=O)C(=O)CBr E15776 [0,0,1,0,0,0|2,0,0]=3 15 B8R0.3 CCOC(=O)C(=O)CBr E2491 [0,0,1,0,0,0|2,0,0]=3 16 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,0,1,0,0,0|1,0,0]=2 17 B8R0.3 CCOC(=O)C(=O)NN E36826 [0,0,1,0,0,0|3,0,0]=4 18 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,0,1,0,0,0|2,0,1]=4 19 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [0,0,1,0,0,0|2,0,1]=4 20 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,0,1,0,0,0|3,0,0]=4 21 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,0,1,0,0,0|0,0,1]=3 22 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,0,1,0,0,0|1,0,1]=4 23 B7R0.5 CCOC(=O)C(=O)O E36772 [1,0,1,0,0,0|2,0,0]=4 24 B7R0.5 CCOC(=O)C(C)=O E60800 [1,0,1,0,0,0|1,0,0]=3 25 B7R0.5 CCOC(=O)C(N)=O E60589 [1,0,1,0,0,0|2,0,0]=4 26 B7R0.10 CCC(=O)C(=O)CC H41459 [1,0,1,0,0,0|0,0,0]=2 27 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [1,0,1,0,0,0|2,0,0]=4 28 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [1,0,1,0,0,0|2,0,0]=4 29 B7R0.10 CC[C@H](N)C(=O)OC M40408 [1,0,1,0,0,0|2,0,0]=4 30 B7R0.10 CC[C@H](N)C(=O)OC M41330 [1,0,1,0,0,0|2,0,0]=4 31 B7R0.10 CC[C@H](N)C(=O)OC M41334 [1,0,1,0,0,0|2,0,0]=4 32 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [1,0,1,0,0,0|2,0,0]=4 33 B7R0.10 COC(=O)C(=O)CBr M2726 [1,0,1,0,0,0|2,0,0]=4 34 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [1,0,1,0,0,0|2,0,0]=4 35 B7R0.10 COC(=O)[C@@H](C)CO M25480 [1,0,1,0,0,0|2,0,0]=4 36 B7R0.10 COC(=O)[C@H](C)CO M40393 [1,0,1,0,0,0|2,0,0]=4 37 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [1,0,1,0,0,0|1,0,0]=3 38 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [1,0,1,0,0,0|1,0,1]=4 39 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [1,0,1,0,0,0|1,0,1]=4 40 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [1,0,1,0,0,0|1,0,1]=4 41 B7R0.3 CCCCC(=O)NN P40425 [1,0,1,0,0,0|2,0,0]=4 42 B7R0.3 CCCOC(=O)OC M40388 [1,0,1,0,0,0|2,0,0]=4 43 B7R0.7 CCNC(=O)NCC D40424 [1,0,1,0,0,0|2,0,0]=4 44 B7R0.7 CCOC(=O)CCBr E39188 [1,0,1,0,0,0|2,0,0]=4 45 B7R0.7 CCOC(=O)CCI E41273 [1,0,1,0,0,0|2,0,0]=4 46 B7R0.7 CCOC(=O)CCO E36682 [1,0,1,0,0,0|2,0,0]=4 47 B7R0.7 CCOC(=O)CNC S69399 [1,0,1,0,0,0|2,0,0]=4 48 B7R0.7 CCOC(=O)CSC E40386 [1,0,1,0,0,0|2,0,0]=4 49 B7R1.2 CC1=CC(=O)CC1 M22783 [2,0,0,0,0,0|0,0,1]=3 50 B7R1.2 CC1=CC(=O)CO1 M41117 [2,0,0,0,0,0|1,0,1]=4 51 B7R1.2 CN1CCC(=O)C1 M5444 [2,0,0,0,0,0|1,0,1]=4 52 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [2,0,0,0,0,0|1,0,0]=3 53 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [2,0,0,0,0,0|2,0,0]=4 54 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [2,0,0,0,0,0|1,0,0]=3 55 B7R1.2 C[C@H]1COC(=O)N1 M40226 [2,0,0,0,0,0|2,0,0]=4 56 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [2,0,0,0,0,0|2,0,0]=4 57 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [2,0,0,0,0,0|2,0,0]=4 59 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [2,0,0,0,0,0|2,0,0]=4 60 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [2,0,0,0,0,0|2,0,0]=4 62 B7R1.2 N[C@H]1COC(=O)C1 A37707 [2,0,0,0,0,0|2,0,0]=4 63 B7R1.2 O=C1CC[C@H](O)C1 H22750 [2,0,0,0,0,0|1,0,1]=4 64 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [2,0,0,0,0,0|2,0,0]=4 65 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [2,0,0,0,0,0|2,0,0]=4 66 B7R1.2 O=C1C[C@H](O)CN1 H15629 [2,0,0,0,0,0|2,0,0]=4 67 B7R1.2 O=C1C[C@H](O)CN1 H38056 [2,0,0,0,0,0|2,0,0]=4 68 B7R1.4 BrC1=C(Br)CCC1 D68539 [2,0,0,0,0,0|2,0,0]=4 69 B7R1.4 CN1CCNC1=O M40241 [2,0,0,0,0,0|2,0,0]=4 70 B7R1.4 C[C@@H]1OCCC1=O M41223 [2,0,0,0,0,0|1,0,1]=4 71 B7R1.4 C[C@H]1CCCC1=O M41458 [2,0,0,0,0,0|0,0,1]=3 72 B7R1.4 C[C@H]1CCNC1=O M41257 [2,0,0,0,0,0|1,0,0]=3 73 B7R1.4 C[C@H]1CCOC1=O M41224 [2,0,0,0,0,0|1,0,0]=3 74 B7R1.4 NN1CCCC1=O A22230 [2,0,0,0,0,0|2,0,0]=4 75 B7R1.4 N[C@@H]1CCNC1=O A40242 [2,0,0,0,0,0|2,0,0]=4 76 B7R1.4 N[C@@H]1CCNC1=O A62971 [2,0,0,0,0,0|2,0,0]=4 77 B7R1.4 N[C@@H]1CCOC1=O H68344 [2,0,0,0,0,0|2,0,0]=4 78 B7R1.4 N[C@H]1CCNC1=O A24294 [2,0,0,0,0,0|2,0,0]=4 79 B7R1.4 N[C@H]1CCOC1=O A40300 [2,0,0,0,0,0|2,0,0]=4 80 B7R1.4 N[C@H]1CCOC1=O A40335 [2,0,0,0,0,0|2,0,0]=4 81 B7R1.4 O=C1CCC=C1Br B3409 [2,0,0,0,0,0|1,0,1]=4 82 B7R1.4 O=C1CCC=C1O H41119 [2,0,0,0,0,0|0,0,2]=4 83 B7R1.4 O=C1NCC[C@@H]1O H20173 [2,0,0,0,0,0|2,0,0]=4 84 B7R1.4 O=C1NCC[C@@H]1O H37914 [2,0,0,0,0,0|2,0,0]=4 85 B7R1.4 O=C1NCC[C@H]1O H40227 [2,0,0,0,0,0|2,0,0]=4 86 B7R1.4 O=C1OCC[C@@H]1Br B31114 [2,0,0,0,0,0|2,0,0]=4 87 B9R0.23 CC(C)OC(=O)C(=O)CBr P65399 [0,1,1,0,0,0|2,0,0]=4 88 B9R0.35 CCCC(=O)C(=O)OCC E43810 [0,1,1,0,0,0|0,0,0]=2 89 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [0,1,1,0,0,0|1,0,1]=4 90 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [0,1,1,0,0,0|1,0,1]=4 91 B9R0.35 CCOC(=N)C(=O)OCC E32050 [0,1,1,0,0,0|2,0,0]=4 92 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 H29811 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.23 CN1C[C@@H](CN)CC1=O A10326 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.106 CC1(C)C(=O)NC[C@@H]1N A20133 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.106 CC1(C)C(=O)NC[C@@H]1N A20919 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.106 CC1(C)C(=O)NC[C@H]1N A20868 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.132 CN1CC[C@H](CO)C1=O H41509 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.132 COC1=C(Br)C(=O)CC1 B61380 [1,1,0,0,0,0|1,0,1]=4 99 B9R1.138 CC1(C)COC(=O)[C@H]1O H41475 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.1361 C[C@H]1CC(C)(C)CC(=O)C1=O T50436 [0,1,0,0,0,1|0,0,0]=2 101 B9R1.5 CN1CCCCCC1=O M39292 [0,0,1,1,0,0|2,0,0]=4 102 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,0,1,1,0,0|2,0,0]=4 103 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [1,0,0,0,0,1|0,0,0]=2 104 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [1,0,0,0,0,1|0,0,1]=3 105 B9R1.34 O=C1CC(=O)OC(=O)C1 P40864 [1,0,0,0,0,1|1,0,1]=4