0 B13R1.351 C1=CC=C(C=C1)CCC(=O)C(=O)O PI-32065 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N PI-14323 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)O PI-42713 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.351 CC(C(=O)OCc1ccccc1)N PI-37613 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.351 CC(C(OCC1=CC=CC=C1)=O)=C PI-40376 [0,0,0,0,0,0|0,0,2]=2 5 B13R1.351 O=C([C@H](N)C)OCc1ccccc1 PI-18535 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [1,0,0,0,0,0|0,0,2]=3 12 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [1,0,0,0,0,0|1,0,0]=2 13 B12R1.27 CNC(=S)NCC1=CC=CC=C1 PI-28336 [1,0,0,0,0,0|2,1,0]=4 14 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [1,0,0,0,0,0|1,0,0]=2 16 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [1,0,0,0,0,0|1,0,0]=2 17 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [1,0,0,0,0,0|1,0,1]=3 19 B14R2.260 CC1C(=O)OC(=N1)C2=CC=CC=C2 PI-24662 [0,0,0,1,0,0|1,0,1]=3 20 B14R2.260 CC1CN(NC1=O)C2=CC=CC=C2 PI-14300 [0,0,0,1,0,0|2,0,0]=3 21 B14R2.781 CC(C)C1=CC2=CC=CC=C2C=C1 PI-25313 [0,0,0,1,0,0|2,0,1]=4 22 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [0,0,0,0,1,0|0,0,2]=3 23 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [0,0,0,0,1,0|3,0,0]=4 24 B12R1.43 CN(C)C(=O)OC1=CN=CC=C1 PI-13338 [0,0,0,0,1,0|2,0,0]=3 25 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [0,0,0,0,1,0|2,0,1]=4 26 B12R1.43 O=C(SC1=CC=CN=C1)N(C)C PI-46612 [0,0,0,0,1,0|2,1,0]=4 27 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 PI-32071 [0,0,0,0,0,1|1,0,1]=3 28 B14R1.818 C\C(N)=C\C(OCC1=CC=CC=C1)=O PI-46645 [0,0,0,0,0,1|1,0,1]=3 29 B14R1.818 O=C(CC(O)=O)OCC1=CC=CC=C1 PI-18524 [0,0,0,0,0,1|2,0,1]=4 30 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [2,0,0,0,0,0|1,0,1]=4 31 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [2,0,0,0,0,0|1,0,1]=4 32 B11R1.28 NCCOCc1ccccc1 PI-36880 [2,0,0,0,0,0|1,0,1]=4 33 B11R1.28 OCCOCc1ccccc1 PI-24526 [2,0,0,0,0,0|1,0,1]=4 34 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [2,0,0,0,0,0|2,0,0]=4 36 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O PI-11989 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.15 COC(=O)CCc1cccc(O)c1 PI-36322 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 PI-28355 [1,1,0,0,0,0|1,0,0]=3 39 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 PI-48955 [1,1,0,0,0,0|1,0,1]=4 40 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [1,1,0,0,0,0|1,0,0]=3 41 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 PI-17945 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.42 CCOC(=O)COC1=CC=CC=C1 PI-50572 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.42 NCCC(=O)OCc1ccccc1 PI-18422 [1,1,0,0,0,0|0,0,0]=2 44 B13R1.135 COC(=O)C(=C)CC1=CC=CC=C1 PI-33772 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N PI-18139 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O PI-15702 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N PI-13397 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 PI-50390 [1,1,0,0,0,0|0,0,2]=4 49 B13R1.718 C1=CC=C(C=C1)COCC(CO)O PI-33777 [1,1,0,0,0,0|1,0,1]=4 50 B13R1.718 CCC(COCC1=CC=CC=C1)N PI-30144 [1,1,0,0,0,0|1,0,1]=4 51 B13R1.3523 CC(O)(C)COCC1=CC=CC=C1 PI-46611 [1,1,0,0,0,0|0,0,1]=3 52 B13R1.148 CN(C)C(=O)OC1=CC=CC(=C1)N PI-44105 [0,1,0,0,1,0|1,0,0]=3 53 B13R1.148 C[N+]1=CC=CC(=C1)OC(=O)N(C)C PI-10813 [0,1,0,0,1,0|2,0,0]=4 54 B13R1.353 CC(C)(C)C(=O)CC1=CC=CC=N1 PI-13333 [0,1,0,0,1,0|1,0,0]=3 55 B13R1.353 O=C(Nc1ccccc1)C(C)(C)C PI-36336 [0,1,0,0,1,0|1,0,0]=3 56 B15R1.741 CC(CO)NC(=O)OCC1=CC=CC=C1 PI-43827 [0,1,0,0,0,1|0,0,0]=2 57 B15R1.3678 CC(C(C(=O)OCC1=CC=CC=C1)N)O PI-27955 [0,1,0,0,0,1|1,0,0]=3 58 B15R1.500 CC(C)C(=O)OCC(C)C1=CC=CC=C1 PI-19821 [0,1,0,0,0,1|0,0,0]=2 59 B15R1.3675 CC(C(=O)CC(=O)Nc1ccccc1)C PI-37702 [0,1,0,0,0,1|1,0,1]=4 60 B15R1.894 CC(C)(C)C(=O)CCC1=CC=C(C=C1)Cl PI-32277 [0,2,0,0,0,0|1,0,0]=3 61 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 PI-10343 [1,0,0,1,0,0|2,0,0]=4 62 B13R2.10 O=C1CCC(O1)c2ccccc2 PI-18042 [1,0,0,1,0,0|0,0,0]=2 63 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 PI-11224 [1,0,0,1,0,0|2,0,0]=4 64 B13R2.32 CC1C(=O)CCC2=CC=CC=C12 PI-17164 [1,0,0,1,0,0|1,0,0]=3 65 B13R2.33 O=C1CCC2=CC=CC=C2CC1 PI-41940 [1,0,0,1,0,0|1,0,0]=3 66 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC PI-40939 [1,0,0,1,0,0|2,0,0]=4 67 B13R2.2382 C1C(O1)COCC2=CC=CC=C2 PI-10361 [1,0,0,1,0,0|1,0,1]=4 68 B13R2.2382 O(Cc1ccccc1)CC2OC2 PI-35223 [1,0,0,1,0,0|1,0,1]=4 69 B13R2.2382 c1ccc(COC[C@H]2OC2)cc1 PI-16665 [1,0,0,1,0,0|1,0,1]=4 70 B13R2.359 CC1=Nc2c(C1(C)C)cccc2 PI-11087 [0,0,0,1,1,0|2,0,0]=4 71 B13R2.435 CC(C)C1=NC2=CC=CC=C2N1 PI-19739 [0,0,0,1,1,0|2,0,0]=4 72 B15R2.327 CC1(C(NC(=O)O1)C2=CC=CC=C2)C PI-42030 [0,0,0,1,0,1|1,0,0]=3 73 B15R2.327 CC1(C(NC(=O)O1)C2=CC=CC=C2)C PI-42031 [0,0,0,1,0,1|1,0,0]=3 74 B15R2.4083 C1CN(C(=O)C1Br)CC2=CC=CC=C2 PI-49757 [0,1,0,1,0,0|2,0,0]=4 75 B11R1.25 CCC(=O)SCC1=CC=CO1 PI-48511 [1,0,0,0,1,0|1,1,0]=4 76 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [1,0,0,0,1,0|2,0,0]=4 77 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [1,0,0,0,1,0|0,0,2]=4 78 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [1,0,0,0,1,0|0,0,0]=2 79 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [1,0,0,0,1,0|2,0,0]=4 80 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [1,0,0,0,1,0|2,0,0]=4 81 B11R1.36 C1=CC=C(C=C1)C(=O)C(Cl)Cl PI-25399 [0,0,0,0,2,0|2,0,0]=4 82 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl PI-12863 [0,0,0,0,2,0|1,0,0]=3 83 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,0,0,0,2,0|1,0,1]=4