0 B16R1.13650 CCOC(=O)C(Cc1ccccc1)C(=O)C TS49790 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.640 CCCC(=O)C(CC)Cc1ccccc1 TS19822 [1,0,0,0,0,0|1,0,1]=3 2 B17R1.18493 CCOC(=O)C(Cc1ccccc1F)C(=O)C TS08219 [0,1,0,0,0,0|0,0,0]=1 3 B17R1.21041 CCOC(=O)C(C(=O)C)C(=O)c1ccccc1 TS56469 [0,1,0,0,0,0|0,0,1]=2 4 B17R1.21042 CCOC(=O)C(Cc1ccc(cc1)Cl)C(=O)C TS67653 [0,1,0,0,0,0|0,0,0]=1 5 B17R1.21042 CCOC(=O)C(Cc1ccc(cc1)F)C(=O)C TS57091 [0,1,0,0,0,0|0,0,0]=1 6 B17R2.50008 CCOC(=O)C1=C(Nc2ccccc2S1)C TS25763 [0,0,0,1,0,0|2,0,1]=4 7 B17R2.50008 CCOC(=O)c1cc2ccccc2oc1=O TS22369 [0,0,0,1,0,0|1,0,2]=4 8 B15R1.9713 CCOC(=O)C(Cc1cccs1)C(=O)O TS52665 [0,0,0,0,1,0|2,0,0]=3 9 B15R1.9922 CCOC(=O)C(c1ccccc1)C(=O)C TS39002 [0,0,0,0,1,0|0,0,0]=1 10 B17R1.5389 CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)O TS26033 [0,0,0,0,0,1|1,0,0]=2 11 B17R1.5389 c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCN TS25895 [0,0,0,0,0,1|3,0,0]=4 12 B17R1.5402 CCOC(=O)C(=NNc1ccccc1)C(=O)C TS56476 [0,0,0,0,0,1|1,0,1]=3 13 B17R1.5402 CCOC(=O)C(C(=O)C)N=Nc1ccccc1 TS56473 [0,0,0,0,0,1|1,0,0]=2 14 B17R1.18492 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C TS56668 [0,0,0,0,0,1|0,0,0]=1 15 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 TS17635 [2,0,0,0,0,0|1,0,1]=4 16 B14R1.60 CCOC(=O)C(Cc1ccccn1)N TS17884 [2,0,0,0,0,0|2,0,0]=4 17 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N TS24788 [2,0,0,0,0,0|1,0,0]=3 18 B14R1.1031 CN[C@@H](Cc1ccccc1)C(=O)OC TS52907 [2,0,0,0,0,0|1,0,0]=3 19 B14R1.1031 COC(=O)C(Cc1ccccc1)[N+]#[C-] TS50920 [2,0,0,0,0,0|1,0,1]=4 20 B14R1.4513 CC(=O)C(=Cc1ccccc1)C(=O)C TS50735 [2,0,0,0,0,0|0,0,2]=4 21 B14R1.4513 CC(=O)C(C(=O)C)Oc1ccccc1 TS51448 [2,0,0,0,0,0|1,0,0]=3 22 B14R1.4513 CN(C)[C@@H](Cc1ccccc1)C(=O)O TS51665 [2,0,0,0,0,0|2,0,0]=4 23 B14R1.4513 C[C@H]([C@@H](Cc1ccccc1)C(=O)O)O TS51838 [2,0,0,0,0,0|0,0,2]=4 24 B14R1.4513 c1ccc(cc1)CC(C(=O)O)C(=O)O TS17805 [2,0,0,0,0,0|1,0,0]=3 25 B16R1.971 CCOC(=O)C(Cc1ccccc1)N=C=O TS22582 [1,1,0,0,0,0|0,0,1]=3 26 B16R1.5823 COC(=O)C(Cc1ccccc1)C(=O)OC TS23449 [1,1,0,0,0,0|0,0,0]=2 27 B16R1.5826 CC(=O)C(Cc1ccccc1Cl)C(=O)OC TS57466 [1,1,0,0,0,0|0,0,0]=2 28 B16R1.5826 CC(=O)C(Cc1ccccc1F)C(=O)OC TS50460 [1,1,0,0,0,0|0,0,0]=2 29 B16R1.16687 CC(=O)C(Cc1ccc(cc1)F)C(=O)OC TS50463 [1,1,0,0,0,0|0,0,0]=2 30 B16R1.14942 CCOC(=O)C(C(=O)C)C(=O)c1cccs1 TS57397 [0,1,0,0,1,0|1,0,1]=4 31 B18R1.22132 C=CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)O TS81948 [0,1,0,0,0,1|1,0,1]=4 32 B18R1.22132 C=CCOC(=O)N[C@H](Cc1ccccc1)C(=O)O TS81949 [0,1,0,0,0,1|1,0,1]=4 33 B18R1.44968 CC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)N TS28067 [0,1,0,0,0,1|2,0,0]=4 34 B18R1.24250 CCOC(=O)C(Cc1ccccc1F)NC(=O)C TS63253 [0,1,0,0,0,1|0,0,0]=2 35 B18R1.28793 CCOC(=O)C(Cc1ccc(cc1)Br)NC(=O)C TS76673 [0,1,0,0,0,1|0,0,0]=2 36 B18R1.28793 CCOC(=O)C(Cc1ccc(cc1)F)NC(=O)C TS63252 [0,1,0,0,0,1|0,0,0]=2 37 B18R1.28793 CCOC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C TS30664 [0,1,0,0,0,1|0,0,0]=2 38 B18R1.28793 CCOC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C TS62995 [0,1,0,0,0,1|0,0,0]=2 39 B18R1.24221 CCOC(=O)C(=Cc1ccccc1)C(=O)OCC TS39843 [0,2,0,0,0,0|0,0,2]=4 40 B18R1.24221 CCOC(=O)C(Cc1ccccc1)C(=O)OCC TS62853 [0,2,0,0,0,0|0,0,0]=2 41 B18R1.214531 CCOC(=O)C(C(=O)C)C(=O)c1ccccc1F TS63113 [0,2,0,0,0,0|0,0,1]=3 42 B18R1.28791 CCOC(=O)C(C(=O)C)C(=O)c1ccc(cc1)F TS63112 [0,2,0,0,0,0|0,0,1]=3 43 B16R2.757 CCOC(=O)c1c(c2ccccc2o1)C TS19736 [1,0,0,1,0,0|1,0,1]=4 44 B16R2.767 CCOC(=O)C1CCc2ccccc2N1 TS00338 [1,0,0,1,0,0|1,0,1]=4 45 B16R2.767 CCOC(=O)C1Cc2ccccc2OC1 TS38995 [1,0,0,1,0,0|0,0,2]=4 46 B16R2.5963 CC(=O)N1[C@@H](COC1=O)c2ccccc2 TS19974 [1,0,0,1,0,0|1,0,0]=3 47 B16R2.29842 CCOC(=O)c1c([nH]c2c1cccc2)C TS38464 [0,0,0,1,1,0|1,0,1]=4 48 B18R2.124774 CCOC(=O)CC1C(=O)Nc2ccccc2S1 TS63007 [0,0,0,1,0,1|2,0,0]=4 49 B18R2.80684 CCOC(=O)C1C(CNC1=O)c2ccccc2 TS25396 [0,1,0,1,0,0|0,0,0]=2 50 B14R1.604 CCC(c1ccccc1)C(=O)OCC TS51495 [1,0,0,0,1,0|0,0,1]=3 51 B14R1.604 CCN(c1ccccc1)C(=O)OCC TS51671 [1,0,0,0,1,0|1,0,1]=4 52 B14R1.604 CCOC(=O)C(C#N)c1ccccc1 TS16188 [1,0,0,0,1,0|1,0,1]=4 53 B16R1.5825 CC(=O)NC(Cc1cccnc1)C(=O)OC TS29286 [1,0,0,0,0,1|1,0,0]=3 54 B16R1.5825 CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC TS49797 [1,0,0,0,0,1|1,0,0]=3 55 B16R1.5825 CC(=O)N[C@@H](Cc1ccccc1)C(=O)OC TS49966 [1,0,0,0,0,1|0,0,0]=2 56 B16R1.5825 CC(=O)N[C@H](Cc1ccccc1)C(=O)OC TS23295 [1,0,0,0,0,1|0,0,0]=2 57 B16R1.5825 COC(=O)[C@@H](Cc1ccccc1)CC(=O)O TS50112 [1,0,0,0,0,1|1,0,0]=3 58 B16R1.5825 COC(=O)[C@H](Cc1ccccc1)CC(=O)O TS50114 [1,0,0,0,0,1|1,0,0]=3 59 B16R1.6737 CC(C)[C@@H](C(=O)OC)NCc1ccccc1 TS29135 [1,0,0,0,0,1|1,0,1]=4 60 B16R1.6737 CC(C)[C@H](C(=O)OC)NCc1ccccc1 TS29134 [1,0,0,0,0,1|1,0,1]=4