0 B10R1.21 C1=COC(=C1)CSCCN PI-17187 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.21 C1=CSC(=C1)CCN=C=O PI-24509 [0,0,0,0,0,0|2,1,1]=4 2 B10R1.21 CCCCCC1=CC=CS1 PI-29622 [0,0,0,0,0,0|0,1,0]=1 3 B10R1.21 CCCCCC1=CSC=C1 PI-29036 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.12 CCCCC1=CC=CS1 PI-44597 [1,0,0,0,0,0|0,1,0]=2 5 B9R1.12 CCCCC1=CSC=C1 PI-36456 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.12 CCCCC1=NC=CN1 PI-31818 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.4 CCCCCCc1cccs1 PI-36455 [0,1,0,0,0,0|0,1,0]=2 8 B11R1.4 CCCCCCc1cscc1 PI-32940 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.4 CCCCCSC1=NC=NN1 PI-17395 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.25 C1=COC(=C1)CNC(=O)CCl PI-17331 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.25 CCC(=O)SCC1=CC=CO1 PI-48511 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.25 COC(=O)CCc1ccc[nH]1 PI-39032 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.29 CNCC[C@H](O)c1cccs1 PI-33656 [0,1,0,0,0,0|1,1,0]=3 14 B11R1.29 O=C(C1=CC=CS1)CCCCl PI-17459 [0,1,0,0,0,0|1,1,1]=4 15 B11R1.30 CCOC(=O)CC1=CC=CS1 PI-19733 [0,1,0,0,0,0|1,1,1]=4 16 B9R0.45 CCCCCCC=CCO PI-46869 [0,0,1,0,0,0|0,0,2]=3 17 B9R0.45 CCCC\C=C\C=C\C=O PI-48531 [0,0,1,0,0,0|0,0,2]=3 18 B11R2.2 C1CC(NC1)C2=CC=CS2 PI-27969 [0,0,0,1,0,0|1,1,0]=3 19 B11R2.2 C1CC(NC1)C2=COC=C2 PI-27544 [0,0,0,1,0,0|3,0,0]=4 20 B11R2.2 C1CC(NC1)C2=CSC=C2 PI-27446 [0,0,0,1,0,0|3,0,0]=4 21 B11R2.2 C1CNC(C1)c2ccco2 PI-27968 [0,0,0,1,0,0|1,0,0]=2 22 B11R2.2 C1COC(O1)C2=CC=CO2 PI-50187 [0,0,0,1,0,0|2,0,0]=3 23 B11R2.106 O=C1CCCc2occc12 PI-27242 [0,0,0,1,0,0|1,0,1]=3 24 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [0,0,0,0,0,1|2,0,0]=3 25 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [0,0,0,0,0,1|2,0,0]=3 26 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.28 C1=CC=C(C=C1)NCCCO PI-46938 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.28 C1=CC=C(C=C1)OCCCBr PI-32239 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.28 C1=CC=NC(=C1)CNCCO PI-34035 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.28 C1=CN=CC=C1CCCCCl PI-33973 [0,0,0,0,0,1|2,0,0]=3 31 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [0,0,0,0,0,1|1,0,0]=2 32 B11R1.28 CCCCCC1=CC=CC=N1 PI-13331 [0,0,0,0,0,1|1,0,0]=2 33 B11R1.28 CCOCCC1=CC=CC=N1 PI-19391 [0,0,0,0,0,1|2,0,0]=3 34 B11R1.28 NCCOCc1ccccc1 PI-36880 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.28 OCCOCc1ccccc1 PI-24526 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.28 OCCSCc1ccccc1 PI-20759 [0,0,0,0,0,1|3,0,0]=4 37 B8R0.4 CCCCCC=CCO PI-26231 [1,0,1,0,0,0|0,0,1]=3 38 B8R0.4 CCCCC\C=C\C=O PI-38486 [1,0,1,0,0,0|0,0,1]=3 39 B8R0.6 CCCCCC(C=C)O PI-39433 [1,0,1,0,0,0|0,0,1]=3 40 B8R0.6 CCCCC[C@@H](C=C)O PI-49834 [1,0,1,0,0,0|0,0,1]=3 41 B8R1.8 CCCC1=NC=CN1 PI-24452 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.8 CNCC1=CC=NO1 PI-48159 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.8 CSCC1=CC=CO1 PI-48491 [2,0,0,0,0,0|1,0,0]=3 44 B8R1.8 NCCc1cccs1 PI-11168 [2,0,0,0,0,0|1,1,0]=4 45 B8R1.8 OCCc1cccs1 PI-11150 [2,0,0,0,0,0|1,1,0]=4 46 B10R0.4 B(C=CCCCCCC)(O)O PI-18545 [0,1,1,0,0,0|1,0,1]=4 47 B10R0.71 CCCCCC=CC=CC=O PI-48529 [0,1,1,0,0,0|0,0,1]=3 48 B10R0.71 CCCCCC=CCCC=O PI-20940 [0,1,1,0,0,0|0,0,2]=4 49 B10R1.11 CCCC(=O)C1=CC=CO1 PI-19566 [1,1,0,0,0,0|0,0,1]=3 50 B10R1.11 CCOC(=O)C1=CC=CO1 PI-45416 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.16 CCCCC1=CC=C(S1)C PI-29060 [1,1,0,0,0,0|0,1,0]=3 52 B10R1.16 O=CCCC1=CC=C(C)O1 PI-42086 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.29 CCCCc1ccsc1Br PI-36457 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.1 CCCCCC1=CC=C(C=C1)Br PI-16233 [0,1,0,0,0,1|1,0,0]=3 55 B12R1.1 CCCCCc1ccc(O)cc1 PI-16210 [0,1,0,0,0,1|1,0,0]=3 56 B12R1.1 CCCCOC1=CC=C(C=C1)N PI-22654 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.1 CCCCOc1ccc(cc1)Br PI-36885 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.1 CCCCOc1ccc(cc1)O PI-13016 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.8 C1=CC=C(C=C1)CCCCCBr PI-14508 [0,1,0,0,0,1|1,0,0]=3 60 B12R1.8 C1=CC=C(C=C1)COCCCBr PI-19703 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.8 C1=CC=C(C=C1)COCCCO PI-32367 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.8 CCCCCCC1=CC=CC=N1 PI-13332 [0,1,0,0,0,1|1,0,0]=3 63 B12R1.8 CCCCCC[N+]1=CC=CC=C1 PI-17157 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.8 CCCCNCC1=CC=CC=C1 PI-28306 [0,1,0,0,0,1|1,0,0]=3 65 B12R1.8 OCCCNCc1ccccc1 PI-28560 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,1,0,0,0,1|1,0,1]=4 67 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PI-40215 [0,1,0,0,0,1|1,0,1]=4 68 B12R1.30 CCCCN(C1=CC=CC=C1)N PI-29775 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.30 CNCCC(C1=CC=CC=C1)Cl PI-22762 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.30 CNCCC(c1ccccc1)O PI-31193 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [0,1,0,0,0,1|1,0,1]=4 72 B12R1.32 COCC(CC1=CC=CC=C1)N PI-19806 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.7 CCCCCCC1=CC(=CS1)Br PI-35021 [0,2,0,0,0,0|0,1,0]=3 75 B12R1.7 CCCCCCC1=CC=C(S1)Br PI-45452 [0,2,0,0,0,0|0,1,0]=3 76 B12R1.7 CCCCCCC1=CN=C(S1)N PI-32189 [0,2,0,0,0,0|1,1,0]=4 77 B12R1.37 CCCCCCCC1=CC=CO1 PI-17362 [0,2,0,0,0,0|0,0,0]=2 78 B12R1.37 CCCCCCCC1=CSC=C1 PI-35059 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.51 CCOC(=O)CCC1=CC=CO1 PI-19017 [0,2,0,0,0,0|0,0,1]=3 80 B12R1.255 C1=CSC(=C1)CCCCC(=O)O PI-29333 [0,2,0,0,0,0|0,1,1]=4 81 B12R1.372 CCCCCCC1=C(SC=C1)Br PI-33575 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.372 CCCCCCc1ccsc1Cl PI-39129 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.54 CN(C)CCC(C1=CC=CS1)O PI-32557 [0,2,0,0,0,0|1,1,0]=4 84 B12R1.54 CN(C)CCC(C1=CC=CS1)O PI-34614 [0,2,0,0,0,0|1,1,0]=4 85 B12R1.260 C1=COC(=C1)CC(CC(=O)O)N PI-26497 [0,2,0,0,0,0|1,0,1]=4 86 B10R1.377 C=CCC1(CCCCC1)O PI-29062 [0,0,1,1,0,0|0,0,2]=4 87 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [0,0,1,1,0,0|1,0,1]=4 88 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [0,0,1,1,0,0|2,0,0]=4 89 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [0,0,1,1,0,0|2,0,0]=4 90 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [0,0,1,1,0,0|2,0,0]=4 91 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [0,0,1,1,0,0|2,0,0]=4 92 B10R2.7 C1NCc2ccsc2C1 PI-24482 [1,0,0,1,0,0|1,1,0]=4 93 B10R2.7 C1NCc2ccsc2C1 PI-32554 [1,0,0,1,0,0|1,1,0]=4 94 B10R2.136 C1CC(C1)C2=NC=CN2 PI-45235 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.2 C1CC(NC1)C2=CC=NC=C2 PI-27128 [0,0,0,1,0,1|2,0,0]=4 96 B12R2.2 C1CC(NC1)C2=CN=CC=C2 PI-27725 [0,0,0,1,0,1|2,0,0]=4 97 B12R2.2 C1CNC(C1)C2=NC=CC=C2 PI-41461 [0,0,0,1,0,1|2,0,0]=4 98 B12R2.2 C1CNC(C1)c2ccccc2 PI-27036 [0,0,0,1,0,1|2,0,0]=4 99 B12R2.2 n1ccc(cc1)N2CCCC2 PI-31124 [0,0,0,1,0,1|2,0,0]=4 100 B12R2.1081 C1CC(C2=C(C1)C=CC=N2)O PI-42265 [0,0,0,1,0,1|2,0,0]=4 101 B12R2.1081 C1CC(C2=C(C1)C=CN=C2)N PI-48339 [0,0,0,1,0,1|2,0,0]=4 102 B12R2.1081 C1CC(C2=CC=CC=C2C1)N PI-25359 [0,0,0,1,0,1|2,0,0]=4 103 B12R2.1081 C1CC(C2=CC=CC=C2C1)O PI-18634 [0,0,0,1,0,1|2,0,0]=4 104 B12R2.1081 CN1CCCc2c1cccc2 PI-37581 [0,0,0,1,0,1|2,0,0]=4 105 B12R2.1081 O[C@@H]1CCCc2ccccc12 PI-18372 [0,0,0,1,0,1|2,0,0]=4 106 B12R2.1081 O[C@H]1CCCc2ccccc12 PI-18655 [0,0,0,1,0,1|2,0,0]=4 107 B12R2.2057 C1(NCC2=CC=CC=C2)CC1 PI-19108 [0,0,0,1,0,1|2,0,0]=4 108 B12R2.2383 C1C(O1)COCC2=CC=CO2 PI-46983 [0,1,0,1,0,0|1,0,0]=3 109 B12R2.6 C1COC(O1)C2=CC(=CO2)Br PI-19929 [0,1,0,1,0,0|2,0,0]=4