0 B10R0.2 CCOC(=O)\C=C(/C)OCC AC2253 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.5 CCOC(=O)CCCCN 23836 [1,0,0,0,0,0|2,0,1]=4 2 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [1,0,0,0,0,0|2,0,1]=4 3 B9R0.5 CCOC(=O)\C=C\CCO W16297 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.34 CCC[C@H](N)CC(=O)OC N15478 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.34 CCC[C@H](N)CC(=O)OC N16940 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.34 CCC[C@H](O)CC(=O)OC D93333 [1,0,0,0,0,0|1,0,2]=4 7 B9R0.34 CCOC(=O)CC(=N)NO Y14772 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [1,0,0,0,0,0|1,0,2]=4 11 B9R0.34 CCOC(=O)NC(=O)CCl D75421 [1,0,0,0,0,0|2,0,0]=3 12 B11R0.1 CCOC(=O)C[C@@H](O)CC(C)C D96336 [0,1,0,0,0,0|1,0,2]=4 13 B11R0.177 C=C(C(=O)OCC)C(=O)OCC 73875 [0,1,0,0,0,0|0,0,1]=2 14 B11R0.182 CCC[C@H](CC)CC(=O)OCC D93218 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.30 CCOC(=O)C=C1CCCC1 95468 [0,0,0,1,0,0|2,0,1]=4 16 B11R1.30 CCOC(=O)CC1=NN=CO1 72043 [0,0,0,1,0,0|2,0,1]=4 17 B11R1.30 CCOC(=O)CC1CCCC1 F11924 [0,0,0,1,0,0|2,0,1]=4 18 B11R1.199 CCOC(=O)C1=CNOC1=O A11101 [0,0,0,1,0,0|1,0,2]=4 19 B11R1.199 CCOC(=O)C1CCCC1O 74882 [0,0,0,1,0,0|1,0,2]=4 20 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 30653 [0,0,0,1,0,0|2,0,1]=4 21 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31838 [0,0,0,1,0,0|2,0,1]=4 22 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31887 [0,0,0,1,0,0|2,0,1]=4 23 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N AC4201 [0,0,0,1,0,0|2,0,1]=4 24 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N C13819 [0,0,0,1,0,0|2,0,1]=4 25 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O C74194 [0,0,0,1,0,0|1,0,2]=4 26 B11R1.199 CCOC(=O)[C@@H]1CCNC1=O 38525 [0,0,0,1,0,0|1,0,0]=2 27 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AC6749 [0,0,0,1,0,0|2,0,1]=4 28 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AT11251 [0,0,0,1,0,0|2,0,1]=4 29 B11R1.425 CCN1C(=O)CC(=O)N1CC D93140 [0,0,0,1,0,0|2,0,0]=3 30 B11R1.840 CCOC(=O)CC1(F)CCC1 72955 [0,0,0,1,0,0|2,0,1]=4 31 B11R1.840 CCOC(=O)CC1(N)CCC1 F51920 [0,0,0,1,0,0|2,0,1]=4 32 B9R0.35 CCCN(N)C(=O)OCC W11062 [0,0,0,0,1,0|3,0,0]=4 33 B9R0.35 CCNC(=O)C(=O)OCC W18547 [0,0,0,0,1,0|1,0,0]=2 34 B9R0.35 CCOC(=O)C(=O)CC#N C75508 [0,0,0,0,1,0|2,0,1]=4 35 B11R0.62 CCOC(=O)CNC(=O)OCC AB7203 [0,0,0,0,0,1|0,0,0]=1 36 B11R0.62 CCOC(=O)CSC(=S)OCC AR3749 [0,0,0,0,0,1|0,1,0]=2 37 B8R0.1 CCOC(=O)CCCO C91677 [2,0,0,0,0,0|1,0,1]=4 38 B8R0.5 CCCC(=O)CC(C)=O 79568 [2,0,0,0,0,0|1,0,0]=3 39 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [2,0,0,0,0,0|0,0,1]=3 40 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [2,0,0,0,0,0|1,0,1]=4 41 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [2,0,0,0,0,0|0,0,2]=4 43 B10R0.1 CCCCNCC(=O)OCC AB3730 [1,1,0,0,0,0|1,0,1]=4 44 B10R0.1 CCOC(=O)\C=C\CCCCl 58166 [1,1,0,0,0,0|1,0,1]=4 45 B10R0.18 C#CCCC(=O)CC(=O)OC N11412 [1,1,0,0,0,0|1,0,1]=4 46 B10R0.18 COCCC(=O)CC(=O)OC T72723 [1,1,0,0,0,0|1,0,0]=3 47 B10R0.35 CCOC(=O)[C@@H](C)C(=O)CC AB10080 [1,1,0,0,0,0|0,0,0]=2 48 B10R0.35 CCOC(=O)[C@@H](N)[C@H](C)CC AC2330 [1,1,0,0,0,0|1,0,1]=4 49 B10R0.44 COC(=O)CC(=O)CC(C)=O C74527 [1,1,0,0,0,0|1,0,1]=4 50 B12R0.78 CCOC(=O)CC(=O)CC(C)(C)C AB1431 [0,2,0,0,0,0|1,0,0]=3 51 B12R0.239 CCOC(=O)CC(=O)CCCCCl AB22522 [0,2,0,0,0,0|1,0,0]=3 52 B12R0.8 CCOC(=O)C(=[N+]=[N-])C(=O)OCC AC8178 [0,2,0,0,0,0|0,0,1]=3 53 B12R0.8 CCOC(=O)C(NC)C(=O)OCC C75656 [0,2,0,0,0,0|0,0,0]=2 54 B10R1.11 CCOC(=O)C1=CCCC1 71128 [1,0,0,1,0,0|1,0,1]=4 55 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC2254 [1,0,0,1,0,0|1,0,1]=4 56 B10R1.138 CCOC(=O)\C=C\C1CC1 W10675 [1,0,0,1,0,0|1,0,1]=4 57 B10R1.149 COC(=O)C1=C(C)OCC1 W15954 [1,0,0,1,0,0|1,0,1]=4 58 B10R1.149 COC(=O)[C@@H]1CCNC1=O 36442 [1,0,0,1,0,0|1,0,0]=3 59 B10R1.149 COC(=O)[C@@H]1CCOC1=O F31228 [1,0,0,1,0,0|0,0,0]=2 60 B10R1.149 COC(=O)[C@@H]1SCCC1=O 84770 [1,0,0,1,0,0|2,0,0]=4 61 B10R1.181 CCOC(=O)CC1(N)CC1 P12553 [1,0,0,1,0,0|1,0,1]=4 62 B10R1.212 CCOC(=O)C(=O)C1CC1 D85551 [0,0,0,1,1,0|1,0,0]=3 63 B12R1.17 CCOC(=O)[C@@H]1CC(=O)CCO1 P12863 [0,0,0,1,0,1|2,0,0]=4 64 B12R1.17 CCOC(=O)[C@H]1CCCC(=O)C1 D96698 [0,0,0,1,0,1|1,0,0]=3 65 B12R1.318 CCOC(=O)CN1CCCC1=O D85969 [0,0,0,1,0,1|1,0,0]=3 66 B12R1.31 CCOC(=O)CC1=COC(C)=N1 AC7209 [0,1,0,1,0,0|1,0,1]=4 67 B12R1.144 CC(C)OC(=O)[C@@H]1CCCC1=O D93338 [0,1,0,1,0,0|1,0,0]=3 68 B12R1.521 CCOC(=O)CC(=O)CC1CC1 AB1428 [0,1,0,1,0,0|1,0,0]=3 69 B12R1.32 CCOC(=O)C[C@H]1CNCCO1 AB1438 [0,1,0,1,0,0|1,0,1]=4 70 B12R1.308 CCOC(=O)[C@@H]1CCOCC1=O 56726 [0,1,0,1,0,0|0,0,0]=2 71 B12R1.308 CCOC(=O)[C@@H]1COCCC1=O 82580 [0,1,0,1,0,0|1,0,0]=3 72 B12R1.520 CCOC(=O)CC(=O)C1(F)CC1 92840 [0,1,0,1,0,0|1,0,0]=3 73 B12R1.1579 CCOC(=O)[C@@H]1CCN(C)C1=O 61270 [0,1,0,1,0,0|1,0,0]=3 74 B8R0.3 CCCC(=O)C(=O)OC T72754 [1,0,0,0,1,0|1,0,0]=3 75 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [1,0,0,0,1,0|0,0,2]=4 76 B12R0.285 CCOC(=O)COCC(=O)OCC W16093 [0,0,0,0,0,2|0,0,0]=2