0 B14R1.42 CC(CCC1=CC=C(O)C(OC)=C1)=O PI-41587 [0,0,0,0,0,0|0,0,2]=2 1 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)F PI-10642 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)[O-])O PI-45839 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O PI-29066 [0,0,0,0,0,0|1,0,2]=3 4 B14R1.42 COc1cc(\C=C/C(=O)O)ccc1O PI-10204 [0,0,0,0,0,0|1,0,0]=1 5 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)Br)F PI-21448 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl PI-25089 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.511 ClC(=O)\C=C\c1ccc(F)c(Br)c1 PI-21474 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 PI-11882 [1,0,0,0,0,0|1,0,2]=4 9 B13R1.511 OC(=O)\C=C\c1ccc(F)c(F)c1 PI-21159 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.511 OC(=O)\C=C\c1ccc(c(c1)O)O PI-11525 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.575 CCOCC1=CC(=C(C=C1)O)OC PI-48477 [1,0,0,0,0,0|1,0,2]=4 12 B13R1.575 COC1=C(C=CC(=C1)C=CCO)O PI-19634 [1,0,0,0,0,0|0,0,2]=3 13 B13R1.643 COC1=CC(=CC=C1)OCC(=O)O PI-29330 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.643 COc1cccc(c1)\C=C\C(=O)O PI-25013 [1,0,0,0,0,0|1,0,0]=2 15 B15R1.4039 O=C(OC)\C=C\C1=CC=C(O)C(OC)=C1 PI-41751 [0,1,0,0,0,0|0,0,0]=1 16 B15R1.12854 COC1=C(C=C(C=C1)C=CC(=O)O)OC PI-31117 [0,1,0,0,0,0|1,0,0]=2 17 B15R1.12854 COC1=C(C=C(C=C1)C=C[N+](=O)[O-])OC PI-23263 [0,1,0,0,0,0|2,0,0]=3 18 B15R1.12854 COC1=C(C=C(C=C1)CCC(=O)O)OC PI-11504 [0,1,0,0,0,0|1,0,2]=4 19 B15R1.12854 COC1=C(C=C(C=C1)SCC(=O)O)OC PI-29989 [0,1,0,0,0,0|2,0,1]=4 20 B15R1.12854 COC1=C(C=CC(=C1)OCC(=O)O)CO PI-29935 [0,1,0,0,0,0|2,0,1]=4 21 B15R1.12854 COc1cc(\C=C\C(=O)O)ccc1OC PI-38252 [0,1,0,0,0,0|1,0,0]=2 22 B15R2.1754 COC1=C(O)C=C2OC(=O)C=CC2=C1 PI-41748 [0,0,0,1,0,0|1,0,0]=2 23 B15R2.7688 C1OC2=C(O1)C=C(C=C2)C=CC(=O)O PI-31720 [0,0,0,1,0,0|1,0,0]=2 24 B15R2.7688 C1OC2=C(O1)C=C(C=C2)CCC(=O)O PI-30422 [0,0,0,1,0,0|1,0,2]=4 25 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O PI-28359 [0,0,0,0,1,0|1,0,1]=3 26 B13R1.52 COc1cc(ccc1O)CC(=O)C PI-31129 [0,0,0,0,1,0|0,0,1]=2 27 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F PI-31203 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O PI-11519 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [2,0,0,0,0,0|0,0,0]=2 30 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [2,0,0,0,0,0|0,0,2]=4 31 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O PI-11523 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.21 OC(=O)\C=C\c1ccc(N)cc1 PI-28305 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl PI-11979 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O PI-20417 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O PI-31202 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O PI-11521 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O PI-30448 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br PI-20686 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.286 COC1=C(C=CC(=C1)C=NO)O PI-27429 [2,0,0,0,0,0|1,0,1]=4 41 B14R1.686 C1=CC(=C(C=C1CC(=O)C(=O)O)O)O PI-34062 [1,1,0,0,0,0|1,0,1]=4 42 B14R1.833 COC(=O)\C=C\c1ccc(c(c1)O)O PI-38381 [1,1,0,0,0,0|0,0,0]=2 43 B14R1.3653 COC1=C(C=C(C=C1)C=CC(=O)O)O PI-25650 [1,1,0,0,0,0|1,0,0]=3 44 B14R1.626 CCOC(=O)C1=CC(=C(C=C1)O)OC PI-18761 [1,1,0,0,0,0|1,0,1]=4 45 B14R1.41 COC1=C(C=CC(=C1)C(C(=O)O)O)O PI-27381 [0,1,0,0,1,0|1,0,1]=4 46 B14R1.343 COc1cc(CC(=O)O)cc(Br)c1O PI-21510 [0,1,0,0,1,0|1,0,1]=4 47 B14R1.439 CCOc1cc(ccc1O)CC(=O)O PI-26915 [0,1,0,0,1,0|1,0,1]=4 48 B14R1.3651 CC(=O)CC1=CC(=C(C=C1)OC)OC PI-12160 [0,1,0,0,1,0|0,0,1]=3 49 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)Cl)OC PI-30039 [0,1,0,0,1,0|1,0,1]=4 50 B14R1.3651 COc1cc(ccc1OC)CC(=O)O PI-32560 [0,1,0,0,1,0|1,0,1]=4 51 B16R1.423 COc1cc(\C=C\C(=O)O)cc(c1O)OC PI-23236 [0,2,0,0,0,0|1,0,0]=3 52 B16R1.20040 COC1=C(C=C(C(=C1)C=CC(=O)O)Br)OC PI-21659 [0,2,0,0,0,0|1,0,0]=3 53 B16R1.4274 CC(=CC1=CC(=C(C=C1)OC)OC)[N+](=O)[O-] PI-23253 [0,2,0,0,0,0|2,0,0]=4 54 B16R1.15083 CCOC(=O)C=CC1=CC(=C(C=C1)O)OC PI-31186 [0,2,0,0,0,0|0,0,0]=2 55 B16R1.20127 COC1=C(C(=C(C=C1)C=CC(=O)O)Cl)OC PI-17312 [0,2,0,0,0,0|1,0,0]=3 56 B14R2.4513 O=c1ccc2c(o1)c(O)c(cc2)O PI-12766 [1,0,0,1,0,0|1,0,0]=3 57 B14R2.8239 O=c1ccc2c(o1)cc(c(c2)O)O PI-11466 [1,0,0,1,0,0|1,0,0]=3 58 B14R2.2332 COc1ccc2CC(=O)CCc2c1 PI-16454 [1,0,0,1,0,0|0,0,2]=4 59 B14R2.2332 COc1ccc2c(c1)ccc(c2)O PI-18603 [1,0,0,1,0,0|0,0,2]=4 60 B14R2.2332 COc1ccc2c(c1)ccc(n2)Cl PI-39133 [1,0,0,1,0,0|2,0,0]=4 61 B14R2.2332 COc1ccc2cc(Br)ccc2c1 PI-10302 [1,0,0,1,0,0|1,0,1]=4 62 B14R2.2332 COc1ccc2nc(C)ccc2c1 PI-16514 [1,0,0,1,0,0|1,0,0]=3 63 B14R2.11684 CC1=NC2=C(C=CC=C2OC)C=C1 PI-25421 [1,0,0,1,0,0|1,0,0]=3 64 B14R2.11684 COC1=CC=CC2=C1CC(=O)CC2 PI-17784 [1,0,0,1,0,0|0,0,2]=4 65 B14R2.1008 ClC(=O)Cc1ccc2OCOc2c1 PI-14793 [0,0,0,1,1,0|1,0,1]=4 66 B14R2.1008 OC(=O)Cc1ccc2c(c1)OCO2 PI-26528 [0,0,0,1,1,0|1,0,1]=4 67 B16R2.36472 COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O PI-41739 [0,1,0,1,0,0|1,0,0]=3 68 B16R2.3954 C1OC2=C(O1)C=C(C(=C2)C=CC(=O)O)Br PI-30413 [0,1,0,1,0,0|1,0,0]=3 69 B16R2.1461 COC1=C(C=C2COC(=O)CC2=C1)OC PI-26183 [0,1,0,1,0,0|1,0,1]=4 70 B16R2.1461 COc1cc2CC(=O)CCc2cc1OC PI-17744 [0,1,0,1,0,0|0,0,2]=4 71 B16R2.1461 COc1cc2oc(=O)ccc2cc1OC PI-20430 [0,1,0,1,0,0|1,0,0]=3 72 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)Cl PI-19534 [1,0,0,0,1,0|2,0,0]=4 73 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 PI-26031 [1,0,0,0,1,0|1,0,1]=4 74 B12R1.438 COC1=CC=CC(=C1)CC(=O)O PI-15442 [1,0,0,0,1,0|1,0,1]=4 75 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC PI-30823 [0,0,0,0,2,0|1,0,0]=3 76 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)CCl PI-16156 [0,0,0,0,2,0|2,0,0]=4 77 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F PI-34251 [0,0,0,0,2,0|2,0,0]=4 78 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O PI-27481 [0,0,0,0,2,0|2,0,0]=4 79 B12R1.56 COc1cc(ccc1Br)C(=O)O PI-35857 [0,0,0,0,2,0|2,0,0]=4 80 B12R1.56 COc1cc(ccc1Cl)C(=O)O PI-27953 [0,0,0,0,2,0|2,0,0]=4 81 B12R1.56 COc1cc(ccc1N)C(=O)O PI-30375 [0,0,0,0,2,0|2,0,0]=4 82 B12R1.56 COc1cc(ccc1O)C(=O)O PI-31895 [0,0,0,0,2,0|1,0,0]=3 83 B12R1.56 O=C(C1=CC=C(O)C(OC)=C1)C PI-46830 [0,0,0,0,2,0|0,0,0]=2 84 B12R1.56 O=C(O)C1=CC=C(C)C(OC)=C1 PI-10102 [0,0,0,0,2,0|2,0,0]=4 85 B14R1.1600 COC1=C(C=CC(=C1)O)C=CC(=O)O PI-36342 [0,0,0,0,1,1|1,0,0]=3