0 B15R1.48 CCOC(=O)C(CC1=CC=C(C=C1)Cl)N PI-30675 [0,0,0,0,0,0|1,0,0]=1 1 B15R1.48 CCOC(=O)C(CC1=CC=C(C=C1)O)N PI-15756 [0,0,0,0,0,0|0,0,0]=0 2 B15R1.48 CCOC(=O)C(CC1=CC=C(C=C1)O)N PI-42160 [0,0,0,0,0,0|0,0,0]=0 3 B15R1.48 [C@@H](N)(CC1=CC=C(O)C=C1)C(=O)OCC PI-42159 [0,0,0,0,0,0|0,0,0]=0 4 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N PI-30470 [1,0,0,0,0,0|0,0,0]=1 5 B14R1.134 CC(C(=O)OC)OC1=CC=C(C=C1)O PI-21898 [1,0,0,0,0,0|2,0,0]=3 6 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)Cl)N PI-30139 [1,0,0,0,0,0|1,0,0]=2 7 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N PI-15757 [1,0,0,0,0,0|0,0,0]=1 8 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N PI-37608 [1,0,0,0,0,0|0,0,0]=1 9 B14R1.134 COC(=O)[C@@H](Cc1ccc(cc1)O)N PI-37609 [1,0,0,0,0,0|0,0,0]=1 10 B14R1.134 NNC(=O)[C@@H](N)Cc1ccc(O)cc1 PI-27899 [1,0,0,0,0,0|2,0,0]=3 11 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)C PI-32828 [1,0,0,0,0,0|1,0,2]=4 12 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)N PI-31211 [1,0,0,0,0,0|1,0,2]=4 13 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl PI-50268 [1,0,0,0,0,0|2,0,0]=3 14 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)F PI-50276 [1,0,0,0,0,0|2,0,0]=3 15 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)F PI-38867 [1,0,0,0,0,0|1,0,2]=4 16 B14R1.502 CCOC(=O)\N=C\c1ccc(Cl)cc1 PI-23173 [1,0,0,0,0,0|2,0,1]=4 17 B14R1.502 CCOC(=O)\N=C\c1ccc(F)cc1 PI-23487 [1,0,0,0,0,0|2,0,1]=4 18 B16R1.743 CCOC(=O)C(=CC1=CC=C(C=C1)O)C#N PI-44077 [0,1,0,0,0,0|0,0,3]=4 19 B16R1.1065 N[C@H](C(=O)NC(=O)C)Cc1ccc(cc1)O PI-34841 [0,1,0,0,0,0|1,0,1]=3 20 B16R1.15339 CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl PI-12495 [0,1,0,0,0,0|3,0,0]=4 21 B16R2.755 CCOC(=O)C1=CC2=C(N1)C=C(C=C2)Cl PI-10010 [0,0,0,1,0,0|1,0,2]=4 22 B16R2.755 CCOC(=O)C1=CC2=C(N1)C=C(C=C2)F PI-10016 [0,0,0,1,0,0|1,0,2]=4 23 B16R2.755 CCOC(=O)c1cc2c([nH]1)ccc(c2)O PI-18396 [0,0,0,1,0,0|2,0,1]=4 24 B16R2.1131 O=C1OC(=O)N[C@H]1Cc2ccc(cc2)O PI-37648 [0,0,0,1,0,0|1,0,1]=3 25 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)Cl PI-28423 [0,0,0,0,1,0|2,0,1]=4 26 B14R1.35 CCOC(=O)C(C1=CC=C(C=C1)O)O PI-19841 [0,0,0,0,1,0|1,0,0]=2 27 B14R1.35 O=C(OCC)C(C1=CC=C(Br)C=C1)=O PI-40030 [0,0,0,0,1,0|2,0,1]=4 28 B16R1.955 CCOC(=O)CC(=O)CC1=CC=C(C=C1)C PI-26808 [0,0,0,0,0,1|2,0,1]=4 29 B13R1.19 CCOC(=O)Cc1ccc(O)cc1 PI-11993 [2,0,0,0,0,0|1,0,1]=4 30 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 PI-28355 [2,0,0,0,0,0|1,0,0]=3 31 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 PI-48955 [2,0,0,0,0,0|0,0,2]=4 32 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [2,0,0,0,0,0|0,0,0]=2 33 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 PI-17945 [2,0,0,0,0,0|1,0,0]=3 34 B13R1.42 CCOC(=O)COC1=CC=CC=C1 PI-50572 [2,0,0,0,0,0|1,0,0]=3 35 B13R1.135 C1=CC=C(C=C1)C[C@@H](C(=O)NN)N PI-50293 [2,0,0,0,0,0|2,0,0]=4 36 B13R1.135 COC(=O)C(=C)CC1=CC=CC=C1 PI-33772 [2,0,0,0,0,0|1,0,1]=4 37 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N PI-18139 [2,0,0,0,0,0|0,0,0]=2 38 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O PI-15702 [2,0,0,0,0,0|1,0,0]=3 39 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N PI-13397 [2,0,0,0,0,0|0,0,0]=2 40 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O PI-12062 [2,0,0,0,0,0|0,0,2]=4 41 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O PI-11989 [2,0,0,0,0,0|0,0,0]=2 42 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br PI-50596 [2,0,0,0,0,0|2,0,0]=4 43 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28307 [2,0,0,0,0,0|1,0,0]=3 44 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28700 [2,0,0,0,0,0|1,0,0]=3 45 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-10516 [2,0,0,0,0,0|1,0,0]=3 46 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-28142 [2,0,0,0,0,0|1,0,0]=3 47 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-18608 [2,0,0,0,0,0|1,0,0]=3 48 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-28063 [2,0,0,0,0,0|1,0,0]=3 49 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28308 [2,0,0,0,0,0|1,0,0]=3 50 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28701 [2,0,0,0,0,0|1,0,0]=3 51 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-43383 [2,0,0,0,0,0|1,0,0]=3 52 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-45778 [2,0,0,0,0,0|1,0,0]=3 53 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O PI-42784 [2,0,0,0,0,0|0,0,0]=2 54 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43207 [2,0,0,0,0,0|1,0,0]=3 55 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43615 [2,0,0,0,0,0|1,0,0]=3 56 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Br PI-30137 [2,0,0,0,0,0|1,0,0]=3 57 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl PI-30896 [2,0,0,0,0,0|1,0,0]=3 58 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)I PI-18181 [2,0,0,0,0,0|1,0,0]=3 59 B13R1.133 NC(CC1=CC=C(C=C1)O)C(O)=O PI-25670 [2,0,0,0,0,0|0,0,0]=2 60 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)F PI-28220 [2,0,0,0,0,0|1,0,0]=3 61 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N PI-28895 [2,0,0,0,0,0|1,0,0]=3 62 B13R1.133 Oc1ccc(cc1)C[C@H](N)C(=O)O PI-27245 [2,0,0,0,0,0|0,0,0]=2 63 B13R1.133 Oc1ccc(cc1)C[C@H](O)C(=O)O PI-36348 [2,0,0,0,0,0|1,0,0]=3 64 B13R1.133 Oc1ccc(cc1)O[C@H](C)C(=O)O PI-12991 [2,0,0,0,0,0|2,0,0]=4 65 B15R1.640 CCOC(=O)C(CC1=CC=CC=C1)CN PI-45585 [1,1,0,0,0,0|0,0,0]=2 66 B15R1.5521 COC(=O)C(CC1=CC(=C(C=C1)O)I)N PI-31946 [1,1,0,0,0,0|0,0,0]=2 67 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(C=C1)Br PI-22524 [1,1,0,0,0,0|1,0,1]=4 68 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(C=C1)F PI-50629 [1,1,0,0,0,0|1,0,1]=4 69 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)C PI-14692 [1,1,0,0,0,0|1,0,1]=4 70 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)Cl PI-38744 [1,1,0,0,0,0|1,0,1]=4 71 B15R1.791 CCOC(=O)COC1=C(C=C(C=C1)Cl)Cl PI-19688 [1,1,0,0,0,0|2,0,0]=4 72 B15R1.793 O=C(OCC)CCC1=CC=C(CN)C=C1 PI-46626 [1,1,0,0,0,0|1,0,0]=3 73 B15R1.3943 CCOC(=O)C(=O)C1=CC=C(C=C1)OC PI-28500 [0,1,0,0,1,0|1,0,1]=4 74 B15R1.3956 CCOC(=O)C(C1=CC(=C(C=C1)Cl)Cl)Br PI-31191 [0,1,0,0,1,0|2,0,0]=4 75 B17R1.1257 CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)O PI-50570 [0,2,0,0,0,0|2,0,0]=4 76 B17R1.21042 CCOC(=O)C(CC1=CC=C(C=C1)Cl)C(=O)C PI-23165 [0,2,0,0,0,0|2,0,0]=4 77 B17R1.21042 CCOC(=O)C(Cc1ccc(F)cc1)C(=O)C PI-23478 [0,2,0,0,0,0|2,0,0]=4 78 B17R1.8287 CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)O)N PI-31085 [0,2,0,0,0,0|0,0,0]=2 79 B15R2.38 C1CCC(=O)C(C1)CC2=CC=CC=C2 PI-28898 [1,0,0,1,0,0|2,0,0]=4 80 B15R2.325 C1=CC=C(C=C1)CC2C(=O)OC(=O)N2 PI-28159 [1,0,0,1,0,0|1,0,1]=4 81 B15R2.1356 CCOC(=O)C1=CC2=CC=CC=C2N1 PI-10020 [1,0,0,1,0,0|0,0,2]=4 82 B13R1.47 CCOC(=O)C(=C)C1=CC=CC=C1 PI-46945 [1,0,0,0,1,0|1,0,1]=4 83 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 PI-28187 [1,0,0,0,1,0|1,0,1]=4 84 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)Br PI-26529 [1,0,0,0,1,0|1,0,0]=3 85 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)N PI-17842 [1,0,0,0,1,0|0,0,0]=2 86 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)N PI-22047 [1,0,0,0,1,0|0,0,0]=2 87 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O PI-47031 [1,0,0,0,1,0|1,0,0]=3 88 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O PI-50235 [1,0,0,0,1,0|1,0,0]=3 89 B13R1.66 CCOC(=O)C(CC1=CN=CN1)N PI-33225 [1,0,0,0,1,0|2,0,0]=4 90 B13R1.21 COC(=O)C(C1=CC=C(C=C1)Cl)Br PI-10150 [1,0,0,0,1,0|2,0,0]=4 91 B13R1.21 COC(=O)C(C1=CC=C(C=C1)O)N PI-45588 [1,0,0,0,1,0|0,0,0]=2 92 B15R1.826 CCOC(=O)C(=O)CCc1ccccc1 PI-31730 [1,0,0,0,0,1|1,0,1]=4 93 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)N PI-11539 [1,0,0,0,0,1|0,0,0]=2 94 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)N PI-35709 [1,0,0,0,0,1|0,0,0]=2 95 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)O PI-26090 [1,0,0,0,0,1|1,0,0]=3 96 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)O PI-28887 [1,0,0,0,0,1|1,0,0]=3