0 B13R2.449 BrCCc1ccc2OCCc2c1 PI-31501 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.449 C1COC2=C1C=C(C=C2)N=C=O PI-26293 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.449 C1OC2=C(O1)C=C(C=C2)CCO PI-26779 [0,0,0,0,0,0|1,0,1]=2 3 B13R2.449 CCNC1=CC2=C(C=C1)OCO2 PI-12265 [0,0,0,0,0,0|1,0,2]=3 4 B13R2.449 O\N=C\C1=CC=C2OCOC2=C1 PI-27329 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.44 C#Cc1ccc2c(c1)OCO2 PI-38731 [1,0,0,0,0,0|0,0,2]=3 6 B12R2.44 C1=CC2=C(C=C1C=O)OC=N2 PI-50074 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.44 C1=CC2=C(C=CO2)C=C1C=O PI-19018 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.44 C1=CC2=C(C=CO2)C=C1CO PI-19435 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.44 C1COC2=C1C=C(C=C2)C=O PI-21253 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.44 C1COC2=C1C=C(C=C2)CN PI-17657 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.44 C1COC2=C1C=C(C=C2)CO PI-19102 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.44 C1OC2=C(O1)C=C(C=C2)CCl PI-32417 [1,0,0,0,0,0|1,0,0]=2 13 B12R2.44 C=CC1=CC2=C(C=C1)OCO2 PI-49743 [1,0,0,0,0,0|0,0,0]=1 14 B12R2.44 N#Cc1ccc2c(c1)OCO2 PI-12788 [1,0,0,0,0,0|1,0,1]=3 15 B12R2.44 O=CC1=CC=C2OC=NC2=C1 PI-46719 [1,0,0,0,0,0|2,0,1]=4 16 B12R2.44 OCc1ccc2OCOc2c1 PI-32416 [1,0,0,0,0,0|1,0,0]=2 17 B14R2.966 C1OC2=C(O1)C=C(C=C2)C(=O)CBr PI-14380 [0,1,0,0,0,0|1,0,2]=4 18 B14R2.966 C1OC2=C(O1)C=C(C=C2)C(=O)NN PI-50312 [0,1,0,0,0,0|2,0,1]=4 19 B14R2.966 COC(=O)C1=CC2=C(C=C1)OCO2 PI-50676 [0,1,0,0,0,0|1,0,2]=4 20 B14R2.1008 CC(CC1=CC2=C(CCO2)C=C1)N PI-45417 [0,1,0,0,0,0|1,0,2]=4 21 B14R2.1008 ClC(=O)Cc1ccc2OCOc2c1 PI-14793 [0,1,0,0,0,0|1,0,0]=2 22 B14R2.1008 OC(=O)Cc1ccc2c(c1)OCO2 PI-26528 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.116 CCOC1=CC=C(C=C1)CC#N PI-19832 [0,0,1,0,0,0|2,0,1]=4 24 B12R1.286 CC1=C(C=C(C=C1)CC#N)OC PI-35269 [0,0,1,0,0,0|2,0,1]=4 25 B12R1.286 COC1=C(C=CC(=C1)C=NO)O PI-27429 [0,0,1,0,0,0|2,0,1]=4 26 B12R1.286 COC1=C(C=CC(=C1)CCN)Br PI-48277 [0,0,1,0,0,0|2,0,1]=4 27 B12R1.286 COC1=C(C=CC(=C1)CCN)O PI-20794 [0,0,1,0,0,0|1,0,1]=3 28 B12R1.286 OCCc1ccc(c(c1)OC)O PI-27378 [0,0,1,0,0,0|1,0,1]=3 29 B12R1.288 C=CCc1ccc(OC)c(F)c1 PI-23724 [0,0,1,0,0,0|1,0,0]=2 30 B12R1.288 COC1=C(C=C(C=C1)CC#N)Br PI-21562 [0,0,1,0,0,0|2,0,1]=4 31 B12R1.288 COC1=C(C=C(C=C1)CC#N)F PI-35242 [0,0,1,0,0,0|2,0,1]=4 32 B12R1.288 NCCc1ccc(OC)c(O)c1 PI-20793 [0,0,1,0,0,0|1,0,1]=3 33 B14R3.3022 C1Cc2c(O1)cc3c(c2)OCC3 PI-39495 [0,0,0,1,0,0|2,0,1]=4 34 B14R2.112 C1COC2=C(O1)C=CC(=C2)N=C=O PI-26021 [0,0,0,0,0,1|2,0,1]=4 35 B11R1.83 CCOC1=CC=C(C=C1)C=O PI-50245 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.83 COC1=CC=C(C=C1)CC#N PI-31718 [1,0,1,0,0,0|1,0,1]=4 37 B11R1.83 COC1=CC=C(C=C1)CCO PI-35236 [1,0,1,0,0,0|1,0,1]=4 38 B11R1.83 COC1=CC=C(C=C1)CNN PI-50561 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.83 COC1=CC=C(C=C1)CNO PI-44099 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.83 COCc1ccc(cc1)OC PI-35666 [1,0,1,0,0,0|1,0,1]=4 41 B11R1.83 NCCc1ccc(OC)cc1 PI-31711 [1,0,1,0,0,0|1,0,1]=4 42 B11R1.189 CCOC1=CC=CC(=C1)C=O PI-27357 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.189 N#CCc1cccc(c1)OC PI-11344 [1,0,1,0,0,0|1,0,1]=4 44 B11R1.189 NCCc1cccc(OC)c1 PI-31712 [1,0,1,0,0,0|1,0,1]=4 45 B11R1.192 C1=CC(=C(C=C1CCO)O)O PI-27061 [1,0,1,0,0,0|1,0,1]=4 46 B11R1.192 C=CCC1=CC(=C(C=C1)O)O PI-41465 [1,0,1,0,0,0|0,0,0]=2 47 B11R1.192 C=CCc1ccc(F)c(C)c1 PI-23775 [1,0,1,0,0,0|1,0,0]=3 48 B11R1.280 C1=CC(=CC(=C1C)OC)C=O PI-10103 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.280 CCC1=CC(=C(C=C1)Br)OC PI-48437 [1,0,1,0,0,0|1,0,1]=4 50 B11R1.280 CCC1=CC(=C(C=C1)O)OC PI-12830 [1,0,1,0,0,0|0,0,1]=3 51 B11R1.280 COc1cc(C#N)ccc1O PI-29016 [1,0,1,0,0,0|1,0,1]=4 52 B11R1.280 COc1cc(C=O)ccc1F PI-28101 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.280 COc1cc(C=O)ccc1O PI-34109 [1,0,1,0,0,0|1,0,0]=3 54 B11R1.279 CC1=C(C=CC(=C1)C=O)OC PI-16554 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.279 COC1=C(C=C(C=C1)C#N)O PI-34038 [1,0,1,0,0,0|1,0,1]=4 56 B11R1.279 COC1=C(C=C(C=C1)C=O)Br PI-18486 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.279 COC1=C(C=C(C=C1)C=O)F PI-28427 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.279 COC1=C(C=C(C=C1)C=O)O PI-15305 [1,0,1,0,0,0|1,0,0]=3 59 B11R1.279 COC1=C(C=C(C=C1)CBr)F PI-23718 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.279 COC1=C(C=C(C=C1)CN)Cl PI-30601 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.279 COc1ccc(OC)c(O)c1 PI-32412 [1,0,1,0,0,0|1,0,1]=4 62 B11R1.279 ClCc1ccc(OC)c(F)c1 PI-16369 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.279 NCc1ccc(c(c1)Cl)OC PI-37600 [1,0,1,0,0,0|2,0,0]=4 64 B11R2.36 C1COC2=C1C=C(C=C2)Br PI-21650 [2,0,0,0,0,0|2,0,0]=4 65 B11R2.36 C1OC2=C(O1)C=C(C=C2)Cl PI-30880 [2,0,0,0,0,0|1,0,0]=3 66 B11R2.36 C1OC2=C(O1)C=C(C=C2)N PI-12185 [2,0,0,0,0,0|1,0,0]=3 67 B11R2.36 CC1=CC2=C(C=C1)OC=N2 PI-10825 [2,0,0,0,0,0|1,0,1]=4 68 B11R2.36 Oc1ccc2c(c1)OCO2 PI-15354 [2,0,0,0,0,0|1,0,0]=3 69 B11R2.36 SC1=CC=C2OCOC2=C1 PI-42647 [2,0,0,0,0,0|1,0,0]=3 70 B13R1.142 CCOC1=CC=C(C=C1)CC(=O)O PI-30647 [0,1,1,0,0,0|2,0,0]=4 71 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O PI-28359 [0,1,1,0,0,0|1,0,0]=3 72 B13R1.52 COc1cc(ccc1O)CC(=O)C PI-31129 [0,1,1,0,0,0|0,0,1]=3 73 B13R1.386 C=CCc1ccc(c(c1)OC)OC PI-33038 [0,1,1,0,0,0|0,0,0]=2 74 B13R1.386 COC1=C(C=C(C=C1)CCO)OC PI-27888 [0,1,1,0,0,0|1,0,1]=4 75 B13R1.386 N#CCc1ccc(c(c1)OC)OC PI-32022 [0,1,1,0,0,0|1,0,1]=4 76 B13R1.386 NCCc1ccc(OC)c(OC)c1 PI-32364 [0,1,1,0,0,0|1,0,1]=4 77 B13R1.575 CCOCC1=CC(=C(C=C1)O)OC PI-48477 [0,1,1,0,0,0|0,0,2]=4 78 B13R1.575 COC1=C(C=CC(=C1)C=CCO)O PI-19634 [0,1,1,0,0,0|0,0,2]=4 79 B13R1.4030 COC1=C(C(=CC(=C1)CC#N)Br)O PI-21511 [0,1,1,0,0,0|1,0,1]=4 80 B13R1.35 CC1=C(C=CC(=C1)CC(=O)O)OC PI-30633 [0,1,1,0,0,0|2,0,0]=4 81 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)Br PI-21560 [0,1,1,0,0,0|2,0,0]=4 82 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)F PI-23721 [0,1,1,0,0,0|2,0,0]=4 83 B13R1.35 COc1ccc(CC(=O)O)cc1O PI-20795 [0,1,1,0,0,0|1,0,0]=3 84 B13R2.430 B(C1=CC2=C(C=C1)OCO2)(O)O PI-25980 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.430 C1COC2=C1C=C(C=C2)C(=O)Cl PI-21252 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.430 C1COC2=C1C=C(C=C2)C(=O)N PI-44108 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.430 C1COC2=C1C=C(C=C2)C(=O)O PI-21254 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.430 C1COC2=C1C=C(C=C2)C(=S)N PI-21255 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.430 C1COC2=C1C=CC(=C2)C(=O)O PI-49010 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.430 C1OC2=C(O1)C=C(C=C2)C(=O)O PI-12887 [1,1,0,0,0,0|1,0,0]=3 91 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 PI-26974 [1,1,0,0,0,0|1,0,1]=4 92 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 PI-29473 [1,1,0,0,0,0|0,0,1]=3 93 B13R2.599 O=Cc1cc2OCOc2cc1Br PI-20534 [1,1,0,0,0,0|1,0,0]=3 94 B15R2.1601 C1COC2=C(O1)C=CC(=C2)C(CN)O PI-15857 [0,1,0,0,0,1|1,0,1]=4 95 B15R2.4367 COC1=CC(=CC2=C1OCO2)CC=C PI-41948 [0,2,0,0,0,0|0,0,0]=2 96 B15R2.4239 OC(=O)C(N)c1ccc2OCOc2c1 PI-36008 [0,2,0,0,0,0|1,0,0]=3 97 B15R2.4343 CC(CC1=CC2=C(C=C1)OCO2)C=O PI-45889 [0,2,0,0,0,0|0,0,1]=3 98 B15R2.7688 C1OC2=C(O1)C=C(C=C2)C=CC(=O)O PI-31720 [0,2,0,0,0,0|0,0,1]=3 99 B15R2.7688 C1OC2=C(O1)C=C(C=C2)CCC(=O)O PI-30422 [0,2,0,0,0,0|0,0,1]=3 100 B15R2.16674 N#CCC1=CC=C2OC(F)(F)OC2=C1 PI-39852 [0,2,0,0,0,0|1,0,1]=4 101 B15R3.43766 C1CC(=O)C2=C1C=CC3=C2CCO3 PI-41309 [0,1,0,1,0,0|1,0,1]=4 102 B11R2.190 O=CC1=CC=C2CCC2=C1 PI-40933 [1,0,0,0,1,0|2,0,0]=4 103 B13R2.57 C1COC2=C(O1)C=CC(=C2)CN PI-21248 [1,0,0,0,0,1|1,0,0]=3 104 B13R2.57 O=Cc1ccc2OCCOc2c1 PI-14155 [1,0,0,0,0,1|1,0,0]=3