0 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [0,0,0,0,0,0|3,1,0]=4 2 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl PI-32617 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [0,0,0,0,0,0|3,1,0]=4 6 B11R1.17 C1=CC=C(C(=C1)CN=C=S)Cl PI-23616 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.17 [C-]#[N+]CCc1ccccc1F PI-23812 [1,0,0,0,0,0|0,1,2]=4 8 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.91 CC(C)N=CC1=CC=CC=C1 PI-19838 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.91 CN(C)N=CC1=CC=CC=C1 PI-26056 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.164 C1=CC(=C(C=C1Cl)Cl)CCC(=O)O PI-21079 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl PI-43385 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl PI-43881 [0,1,0,0,0,0|3,0,0]=4 20 B13R2.33 O=C1CCC2=CC=CC=C2CC1 PI-41940 [0,0,0,1,0,0|3,0,0]=4 21 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,0,0,0,1,0|2,1,0]=4 22 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [0,0,0,0,1,0|3,0,0]=4 23 B11R1.86 NC1=CC=CC=C1SC(C)C PI-40822 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [0,0,0,0,1,0|3,0,0]=4 25 B10R1.4 BrCCc1ccccc1C PI-21423 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.4 BrCCc1ccccc1Cl PI-21413 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.4 BrCCc1ccccc1F PI-34239 [2,0,0,0,0,0|1,1,0]=4 28 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [2,0,0,0,0,0|1,1,0]=4 29 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [2,0,0,0,0,0|1,1,0]=4 30 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [2,0,0,0,0,0|1,1,0]=4 31 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [2,0,0,0,0,0|1,1,0]=4 32 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.4 N#CCc1ccccc1Cl PI-11829 [2,0,0,0,0,0|0,0,2]=4 34 B10R1.4 NCCc1ccccc1Br PI-39292 [2,0,0,0,0,0|0,1,0]=3 35 B10R1.4 NCCc1ccccc1Cl PI-20209 [2,0,0,0,0,0|0,0,0]=2 36 B10R1.4 NCCc1ccccc1F PI-38584 [2,0,0,0,0,0|0,1,0]=3 37 B10R1.4 NOCc1ccccc1Cl PI-39246 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.4 [C-]#[N+]Cc1ccccc1Cl PI-23174 [2,0,0,0,0,0|0,0,2]=4 39 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.17 CNCCc1ccncc1 PI-12002 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.17 ClCCCc1ccccc1 PI-33374 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.17 NCCCc1ccccc1 PI-11351 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)Cl PI-50255 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.371 COC(=O)CC1=CC=CC=C1Cl PI-30731 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-20840 [1,1,0,0,0,0|0,0,0]=2 54 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-21785 [1,1,0,0,0,0|0,0,0]=2 55 B12R1.21 C[C@H](CCc1ccc(cc1)O)O PI-38464 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.27 C[C@@H](NCC1=CC=CC=C1)CO PI-36948 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.107 CN(C)C[C@H](C1=CC=CC=C1)O PI-50017 [1,1,0,0,0,0|0,0,0]=2 59 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23896 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23897 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.160 CC(C)NCC(C1=CC=CC=C1Cl)O PI-13743 [0,1,0,0,0,1|1,0,0]=3 62 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 PI-37737 [0,0,1,1,0,0|2,0,0]=4 63 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.32 CNC1CC2=CC=CC=C2C1 PI-42263 [1,0,0,1,0,0|1,0,0]=3 65 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)Cl PI-32730 [1,0,0,1,0,0|2,0,0]=4 66 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)Cl PI-34935 [1,0,0,1,0,0|1,0,1]=4 67 B12R2.1081 Nc1cccc2c1CCCC2 PI-25360 [1,0,0,1,0,0|2,0,0]=4 68 B12R2.1081 Nc1cccc2c1CCNC2 PI-17677 [1,0,0,1,0,0|1,0,0]=3 69 B12R2.1081 Oc1cccc2c1CCCC2 PI-18635 [1,0,0,1,0,0|2,0,0]=4 70 B12R2.2057 C1(NCC2=CC=CC=C2)CC1 PI-19108 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.202 C1C(=O)CC2=C1C=CC=C2Cl PI-32755 [0,0,0,1,1,0|2,0,0]=4 72 B12R2.202 CN1C=C2C(=N1)C=CC=C2Cl PI-34929 [0,0,0,1,1,0|1,0,1]=4 73 B14R2.2 CN(C)CC1=CNC2=CC=CC=C21 PI-12982 [0,1,0,1,0,0|1,0,1]=4 74 B14R2.6175 O=C1C(C)(C)CCC2=C1C=CC=C2 PI-40568 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,0,0,0,1,0|1,0,1]=4 76 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [1,0,0,0,1,0|2,0,0]=4 77 B10R1.18 CC(Cc1ccccn1)C PI-13337 [1,0,0,0,1,0|2,0,0]=4 78 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [0,0,0,0,2,0|2,0,0]=4 79 B10R1.61 CC(C)c1ccccc1S PI-17353 [0,0,0,0,2,0|2,0,0]=4 80 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [0,0,0,0,2,0|2,0,0]=4 81 B10R1.61 CC(c1ccccc1Br)C PI-21543 [0,0,0,0,2,0|1,1,0]=4 82 B10R1.61 CN(C)C1=NC=CN=C1Cl PI-46715 [0,0,0,0,2,0|2,0,0]=4