0 B12R1.891 C1=CC=C(C=C1)CCC(F)(F)F PI-19167 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.891 C1=CN=CC=C1CCS(=O)(=O)O PI-32898 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 CC(C)N=CC1=CC=CC=C1 PI-19838 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.91 CN(C)N=CC1=CC=CC=C1 PI-26056 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [1,0,0,0,0,0|0,0,0]=1 10 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [1,0,0,0,0,0|0,0,0]=1 11 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 PI-22878 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.353 CC(C)(C)C(=O)CC1=CC=CC=N1 PI-13333 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.353 O=C(Nc1ccccc1)C(C)(C)C PI-36336 [0,1,0,0,0,0|2,0,1]=4 16 B13R2.187 C1C(C1(Cl)Cl)SC2=CC=CC=C2 PI-25759 [0,0,0,1,0,0|3,0,0]=4 17 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PI-28365 [0,0,0,0,1,0|2,0,1]=4 18 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 PI-20351 [0,0,0,0,1,0|2,0,0]=3 19 B11R1.509 C[Si](C)(C)OC1=CC=CC=C1 PI-46060 [0,0,0,0,1,0|2,1,0]=4 20 B11R1.509 OP(=O)(Cc1ccccc1)O PI-30850 [0,0,0,0,1,0|3,0,0]=4 21 B13R1.3523 CC(O)(C)COCC1=CC=CC=C1 PI-46611 [0,0,0,0,0,1|0,0,0]=1 22 B13R1.3523 C[Si](C)(C)CNCC1=CC=CC=C1 PI-39442 [0,0,0,0,0,1|1,1,0]=3 23 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [2,0,0,0,0,0|0,0,2]=4 25 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.17 CNCCc1ccncc1 PI-12002 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.17 ClCCCc1ccccc1 PI-33374 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.17 ClCSCc1ccccc1 PI-19537 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.17 NCCCc1ccccc1 PI-11351 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.17 OCCCc1ccccn1 PI-33813 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.17 OCCCc1ccncc1 PI-31736 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-20840 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-21785 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.21 C[C@H](CCc1ccc(cc1)O)O PI-38464 [1,1,0,0,0,0|0,0,0]=2 49 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.27 C1=CC=C(C=C1)OCC(CO)O PI-33776 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [1,1,0,0,0,0|0,0,2]=4 54 B12R1.27 C[C@@H](NCC1=CC=CC=C1)CO PI-36948 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-18757 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-32818 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 PI-50242 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.107 CN(C)C[C@H](C1=CC=CC=C1)O PI-50017 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23896 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23897 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.107 N[C@H](c1ccccc1)CC(=O)O PI-18530 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18173 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18923 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18924 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.564 CC(C)(C(=O)C1=CC=CC=C1)Br PI-22167 [0,1,0,0,1,0|1,0,1]=4 80 B12R1.564 NC(c1ccccc1)C(C)(C)C PI-22696 [0,1,0,0,1,0|1,0,0]=3 81 B12R1.564 O=C(c1ccccc1)C(C)(C)C PI-29981 [0,1,0,0,1,0|1,0,1]=4 82 B12R2.24 C1CC2=CC=CC=C2CC1N PI-35442 [1,0,0,1,0,0|1,0,0]=3 83 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [1,0,0,1,0,0|0,0,0]=2 84 B12R2.24 C1CC2=CC=CC=C2C[C@@H]1N PI-48325 [1,0,0,1,0,0|1,0,0]=3 85 B12R2.24 C1CC2=CC=CC=C2C[C@H]1N PI-48324 [1,0,0,1,0,0|1,0,0]=3 86 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [1,0,0,1,0,0|1,0,0]=3 87 B12R2.24 NC1CNc2ccccc2C1 PI-36230 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [1,0,0,1,0,0|0,0,2]=4 89 B12R2.92 ClC1(Cl)CC1c2ccccc2 PI-30362 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.2057 C1(NCC2=CC=CC=C2)CC1 PI-19108 [1,0,0,1,0,0|1,0,0]=3 91 B12R2.2057 C1C(O1)COC2=CC=CC=C2 PI-32351 [1,0,0,1,0,0|1,0,0]=3 92 B12R2.2057 C1C(O1)COC2=CC=CC=C2 PI-32352 [1,0,0,1,0,0|1,0,0]=3 93 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [1,0,0,1,0,0|1,0,1]=4 94 B14R2.403 CC1(C)N=C(C2=CC=CC=C2)OC1 PI-47011 [0,0,0,1,0,1|1,0,1]=4 95 B14R2.6175 O=C1C(C)(C)CCC2=C1C=CC=C2 PI-40568 [0,1,0,1,0,0|0,0,1]=3 96 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [1,0,0,0,1,0|2,0,0]=4 97 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,0,0,0,1,0|0,0,2]=4 98 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [1,0,0,0,1,0|1,0,0]=3 99 B10R1.18 CC(Cc1ccccn1)C PI-13337 [1,0,0,0,1,0|1,0,0]=3 100 B10R1.28 CC(C)(C)c1ccncc1 PI-38985 [0,0,0,0,2,0|2,0,0]=4 101 B10R1.28 CC(O)(C1=CC=CC=C1)C PI-37326 [0,0,0,0,2,0|0,0,0]=2 102 B10R1.28 CC(c1ccccc1)(Cl)C PI-21943 [0,0,0,0,2,0|1,0,0]=3 103 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [0,0,0,0,2,0|2,0,0]=4 104 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 PI-30419 [0,0,0,0,2,0|2,0,0]=4 105 B10R1.28 C[N+](c1ccccc1)(C)C PI-39595 [0,0,0,0,2,0|2,0,0]=4 106 B10R1.28 C[Si](C)(C1=CC=CC=C1)Cl PI-46048 [0,0,0,0,2,0|1,1,0]=4 107 B10R1.28 C[Si](C)(C1=CC=CC=C1)F PI-23923 [0,0,0,0,2,0|1,1,0]=4 108 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O PI-28809 [1,0,0,0,0,1|1,0,1]=4 109 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O PI-32597 [1,0,0,0,0,1|1,0,1]=4 110 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [1,0,0,0,0,1|0,0,2]=4 111 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [1,0,0,0,0,1|0,0,2]=4 112 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [1,0,0,0,0,1|0,0,0]=2 113 B12R1.252 OC(=O)CCCc1ccccc1 PI-29265 [1,0,0,0,0,1|1,0,1]=4 114 B12R1.252 OC(=O)CNCc1ccccc1 PI-27252 [1,0,0,0,0,1|1,0,1]=4 115 B12R1.252 OC(=O)COCc1ccccc1 PI-33690 [1,0,0,0,0,1|1,0,1]=4