0 B12R1.107 C1=CC(=CN=C1)C(CC(=O)O)N PI-45558 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-18757 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-32818 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 PI-50242 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C PI-26590 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.107 CC(N[C@H](C1=CC=CC=C1)C)=O PI-26251 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.107 CN(C)C[C@H](C1=CC=CC=C1)O PI-50017 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.107 N[C@H](c1ccccc1)CC(=O)O PI-18530 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18173 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18923 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18924 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [1,0,0,0,0,0|1,0,2]=4 26 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.91 NC(=S)NCc1ccccc1 PI-20347 [1,0,0,0,0,0|2,1,0]=4 29 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [1,0,0,0,0,0|3,0,0]=4 32 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43723 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43789 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Cl PI-30270 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)F PI-15932 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43808 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43854 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 PI-40768 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F PI-38943 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.132 CC1=CC=C(C=C1)C(CC(=O)O)N PI-30845 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.147 C1=CC(=CC(=C1)F)C(CC(=O)O)N PI-15931 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)O)N PI-33678 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.152 CC(C(=O)C)C(=O)C1=CC=CC=C1 PI-44074 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.152 CC(C1=CC=CC=C1)C(C(=O)O)N PI-30943 [0,1,0,0,0,0|2,0,0]=3 45 B13R1.152 C[C@@H]([C@@H](C1=CC=CC=C1)O)C(=O)O PI-48759 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.201 C1=CC=C(C(=C1)C(CC(=O)O)N)F PI-43521 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.201 C1=CC=C(C(=C1)C(CC(=O)O)N)F PI-43522 [0,1,0,0,0,0|3,0,0]=4 48 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 PI-30652 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.713 C1=CC=C(C=C1)C(CC(=O)O)CN PI-42559 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.713 NCC(CC(=O)O)c1ccccc1 PI-10162 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.713 O=C(O)C[C@@H](C1=CC=CC=C1)CN PI-40198 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.713 O=C(O)C[C@H](C1=CC=CC=C1)CN PI-40199 [0,1,0,0,0,0|2,0,0]=3 53 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 PI-10343 [0,0,0,1,0,0|2,0,0]=3 54 B13R2.10 C1C(NC(=S)O1)C2=CC=CC=C2 PI-10344 [0,0,0,1,0,0|2,0,1]=4 55 B13R2.10 C1C(NC(=S)S1)C2=CC=CC=C2 PI-16639 [0,0,0,1,0,0|2,1,0]=4 56 B13R2.10 C1CN(N=C1N)C2=CC=CC=C2 PI-30482 [0,0,0,1,0,0|3,0,0]=4 57 B13R2.10 O=C1CCC(O1)c2ccccc2 PI-18042 [0,0,0,1,0,0|0,0,0]=1 58 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 PI-11224 [0,0,0,1,0,0|2,0,0]=3 59 B13R2.10 S=C1OC[C@H](N1)c2ccccc2 PI-16645 [0,0,0,1,0,0|2,0,1]=4 60 B13R2.10 S=C1SC[C@H](N1)c2ccccc2 PI-16640 [0,0,0,1,0,0|2,1,0]=4 61 B13R2.328 C1C2=CC=CC=C2C(=O)NC1=O PI-40295 [0,0,0,1,0,0|2,0,1]=4 62 B13R2.328 CC1=CC(=NC2=CC=CC=C12)C PI-11755 [0,0,0,1,0,0|2,0,1]=4 63 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 PI-26707 [0,0,0,1,0,0|2,0,1]=4 64 B13R2.328 Cc1cc2ccccc2c(c1)C PI-25697 [0,0,0,1,0,0|2,0,1]=4 65 B13R2.328 O=C1OC(=O)c2c(C1)cccc2 PI-16185 [0,0,0,1,0,0|1,0,1]=3 66 B13R2.423 C1C(C1C(=O)Cl)C2=CC=CC=C2 PI-17992 [0,0,0,1,0,0|2,0,0]=3 67 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccccc2 PI-17993 [0,0,0,1,0,0|2,0,0]=3 68 B13R2.12159 C1=CC=C2C(=C1)C(OS2(=O)=O)Cl PI-19371 [0,0,0,1,0,0|3,0,0]=4 69 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [0,0,0,0,1,0|2,0,0]=3 70 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [0,0,0,0,1,0|2,0,0]=3 71 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,0,0,0,1,0|2,0,0]=3 72 B11R1.36 C1=CN=CC=C1C(C(=O)O)N PI-36241 [0,0,0,0,1,0|3,0,0]=4 73 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [0,0,0,0,1,0|1,0,2]=4 74 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,0,0,0,1,0|1,0,0]=2 75 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,0,0,0,1,0|1,0,0]=2 76 B11R1.36 CN(C1=CC=CC=C1)C(=S)Cl PI-24196 [0,0,0,0,1,0|2,1,0]=4 77 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,0,0,0,1,0|1,0,0]=2 78 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [0,0,0,0,1,0|2,0,0]=3 79 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [0,0,0,0,1,0|2,0,0]=3 80 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,0,0,0,1,0|1,0,1]=3 81 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,0,0,0,1,0|2,0,1]=4 82 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,0,0,0,1,0|2,0,0]=3 83 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,0,0,0,1,0|2,0,0]=3 84 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 PI-26318 [0,0,0,0,0,1|1,0,1]=3 85 B13R1.348 CC(=CC1=CC=CC=C1)CC(=O)N PI-17442 [0,0,0,0,0,1|2,0,1]=4 86 B13R1.348 OC(=O)C[C@@H](N)Cc1ccccc1 PI-13008 [0,0,0,0,0,1|3,0,0]=4 87 B13R1.348 OC(=O)C[C@H](N)Cc1ccccc1 PI-13007 [0,0,0,0,0,1|3,0,0]=4 88 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [2,0,0,0,0,0|1,0,1]=4 89 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [2,0,0,0,0,0|1,0,0]=3 90 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [2,0,0,0,0,0|1,0,1]=4 91 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [2,0,0,0,0,0|1,0,1]=4 92 B10R1.15 CCC(O)c1ccccc1 PI-31770 [2,0,0,0,0,0|1,0,1]=4 93 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [2,0,0,0,0,0|1,0,1]=4 94 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [2,0,0,0,0,0|1,0,1]=4 95 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [2,0,0,0,0,0|1,0,1]=4 96 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [2,0,0,0,0,0|1,0,1]=4 98 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [2,0,0,0,0,0|1,0,1]=4 99 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [2,0,0,0,0,0|1,0,1]=4 100 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [2,0,0,0,0,0|1,0,1]=4 102 B12R1.16 CC(C1=CC=C(C=C1)Br)N=C=O PI-26151 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.16 CC(C1=CC=C(C=C1)Br)N=C=O PI-26801 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.30 CC(C1=CC=CC=C1)NCC=C PI-29529 [1,1,0,0,0,0|1,0,1]=4 105 B12R1.34 CC(C1=CC=CC=C1)C(=O)OC PI-50499 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl PI-30390 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.21 CC(=O)NNC1=CC=C(C=C1)Br PI-50329 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [1,1,0,0,0,0|1,0,0]=3 112 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [1,1,0,0,0,0|1,0,0]=3 117 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [1,1,0,0,0,0|0,0,0]=2 118 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [1,1,0,0,0,0|0,0,0]=2 119 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [1,1,0,0,0,0|0,0,1]=3 121 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.27 CNC(=S)NCC1=CC=CC=C1 PI-28336 [1,1,0,0,0,0|1,1,0]=4 123 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [1,1,0,0,0,0|0,0,0]=2 125 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [1,1,0,0,0,0|0,0,0]=2 126 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [1,1,0,0,0,0|2,0,0]=4 131 B12R1.43 C=C(C(=O)O)Cc1ccccc1 PI-12179 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Br PI-30107 [0,1,0,0,1,0|2,0,0]=4 145 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-15413 [0,1,0,0,1,0|2,0,0]=4 146 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21861 [0,1,0,0,1,0|2,0,0]=4 147 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21862 [0,1,0,0,1,0|2,0,0]=4 148 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16851 [0,1,0,0,1,0|2,0,0]=4 149 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16852 [0,1,0,0,1,0|2,0,0]=4 150 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O PI-27356 [0,1,0,0,1,0|2,0,0]=4 151 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br PI-12127 [0,1,0,0,1,0|2,0,0]=4 152 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl PI-11218 [0,1,0,0,1,0|2,0,0]=4 153 B12R1.20 CC(C1=CC=C(C=C1)Cl)C(=O)O PI-30984 [0,1,0,0,1,0|1,0,0]=3 154 B12R1.20 CC(c1ccc(cc1)C)C(=O)O PI-11714 [0,1,0,0,1,0|1,0,0]=3 155 B12R1.20 NC(c1ccc(cc1)F)C(=O)O PI-10414 [0,1,0,0,1,0|2,0,0]=4 156 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)N PI-27478 [0,1,0,0,1,0|2,0,0]=4 157 B12R1.20 OC(c1ccc(cc1)F)C(=O)O PI-12126 [0,1,0,0,1,0|2,0,0]=4 158 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)Br)Cl PI-16780 [0,1,0,0,1,0|2,0,0]=4 159 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Br PI-30383 [0,1,0,0,1,0|2,0,0]=4 160 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-11217 [0,1,0,0,1,0|2,0,0]=4 161 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-11226 [0,1,0,0,1,0|2,0,0]=4 162 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-13159 [0,1,0,0,1,0|2,0,0]=4 163 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl PI-11222 [0,1,0,0,1,0|2,0,0]=4 164 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl PI-11225 [0,1,0,0,1,0|2,0,0]=4 165 B12R1.124 CC(C1=CC=CC=C1Cl)C(=O)O PI-16403 [0,1,0,0,1,0|1,0,0]=3 166 B12R1.124 OC(=O)C(N)c1ccccc1O PI-36100 [0,1,0,0,1,0|2,0,0]=4 167 B12R1.124 OC(=O)C(c1ccccc1Br)O PI-12128 [0,1,0,0,1,0|2,0,0]=4 168 B12R1.124 OC(=O)C(c1ccccc1Cl)O PI-11216 [0,1,0,0,1,0|2,0,0]=4 169 B12R1.124 OC(=O)C(c1ccccc1F)N PI-17020 [0,1,0,0,1,0|2,0,0]=4 170 B12R1.124 OC(=O)[C@@H](c1ccccc1F)O PI-36868 [0,1,0,0,1,0|2,0,0]=4 171 B12R1.225 C1=CC(=CC(=C1)Br)C(C(=O)O)N PI-30934 [0,1,0,0,1,0|2,0,0]=4 172 B12R1.225 C1=CC(=CC(=C1)Cl)C(C(=O)O)N PI-24591 [0,1,0,0,1,0|2,0,0]=4 173 B12R1.225 CC(C(O)=O)C1=CC(Br)=CC=C1 PI-33919 [0,1,0,0,1,0|1,0,0]=3 174 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-11648 [0,1,0,0,1,0|2,0,0]=4 175 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-33405 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-44342 [0,1,0,0,1,0|2,0,0]=4 177 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-44343 [0,1,0,0,1,0|2,0,0]=4 178 B12R1.225 OC(=O)C(O)c1cccc(Br)c1 PI-21550 [0,1,0,0,1,0|2,0,0]=4 179 B12R1.225 OC(=O)C(O)c1cccc(C)c1 PI-24801 [0,1,0,0,1,0|2,0,0]=4 180 B12R1.225 O[C@H](C1=CC=CC(Cl)=C1)C(O)=O PI-37323 [0,1,0,0,1,0|2,0,0]=4 181 B12R1.253 C1=CC=C(C=C1)C(C(=O)N)(F)F PI-12515 [0,1,0,0,1,0|2,0,0]=4 182 B12R1.253 CC(C)(C1=CC=CC=C1)C(=O)O PI-11339 [0,1,0,0,1,0|1,0,0]=3 183 B12R1.253 CC(C1=CC=CC=C1)(C(=O)O)O PI-19096 [0,1,0,0,1,0|1,0,0]=3 184 B12R1.253 CC(C1=CC=CC=C1)(C(=O)O)O PI-19536 [0,1,0,0,1,0|1,0,0]=3 185 B12R1.478 C1=CC=C(C=C1)C(CO)C(=O)O PI-10781 [0,1,0,0,1,0|1,0,0]=3 186 B14R1.29 CCOC(=O)C[C@@H](N)c1ccccc1 PI-31836 [0,2,0,0,0,0|2,0,0]=4 187 B14R1.29 CCOC(=O)C[C@H](N)c1ccccc1 PI-31837 [0,2,0,0,0,0|2,0,0]=4 188 B14R1.694 CC1=CC=C(C=C1)C(C)(C)CC(=O)O PI-26631 [0,2,0,0,0,0|2,0,0]=4 189 B14R1.1019 NCC(CC(=O)O)c1ccc(Cl)cc1 PI-27086 [0,2,0,0,0,0|2,0,0]=4 190 B14R1.1019 NC[C@@H](c1ccc(cc1)Cl)CC(=O)O PI-38889 [0,2,0,0,0,0|2,0,0]=4 191 B14R1.6455 CC(=O)OC(C1=CC=CC=C1)C(=O)O PI-26693 [0,2,0,0,0,0|0,0,1]=3 192 B14R1.6455 CC(=O)OC(C1=CC=CC=C1)C(=O)O PI-26876 [0,2,0,0,0,0|0,0,1]=3 193 B14R1.6455 ClC(=O)C(c1ccccc1)OC(=O)C PI-29181 [0,2,0,0,0,0|0,0,1]=3 194 B12R2.2 C1CC(N=C1)C2=CN=CC=C2 PI-44326 [1,0,0,1,0,0|2,0,0]=4 195 B12R2.2 C1CNC(C1)c2ccccc2 PI-27036 [1,0,0,1,0,0|1,0,1]=4 196 B12R2.2 C1COC(O1)C2=CC=CC=C2 PI-34778 [1,0,0,1,0,0|1,0,1]=4 197 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)Br PI-22576 [1,0,0,1,0,0|1,0,0]=3 198 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O PI-44675 [1,0,0,1,0,0|1,0,0]=3 199 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [1,0,0,1,0,0|1,0,0]=3 200 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [1,0,0,1,0,0|2,0,0]=4 201 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [1,0,0,1,0,0|0,0,0]=2 202 B12R2.2403 O=S1(OCC2=CC=CC=C12)=O PI-40748 [1,0,0,1,0,0|2,0,0]=4 203 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [1,0,0,1,0,0|2,0,0]=4 204 B12R2.18 CC1C(NC2=CC=CC=C12)C PI-44123 [0,0,0,1,1,0|1,0,1]=4 205 B12R2.18 CC1C2=C(NC1=O)N=CC=C2 PI-41265 [0,0,0,1,1,0|2,0,0]=4 206 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [0,0,0,1,1,0|1,0,1]=4 207 B12R2.18 Cn1c(C)cc2c1cccc2 PI-11083 [0,0,0,1,1,0|2,0,0]=4 208 B12R2.18 O=C1OC2=CC=CC=C2C1C PI-37207 [0,0,0,1,1,0|1,0,0]=3 209 B14R2.68 C1C(NCC(=O)O1)C2=CC=CC=C2 PI-10531 [0,0,0,1,0,1|1,0,0]=3 210 B14R2.68 C1C(NCC(=O)O1)C2=CC=CC=C2 PI-10532 [0,0,0,1,0,1|1,0,0]=3 211 B14R2.68 C1CC(=O)CCC1C2=CC=CC=C2 PI-49427 [0,0,0,1,0,1|1,0,0]=3 212 B14R2.68 C1CN(CCC1=O)C2=CC=CC=C2 PI-43185 [0,0,0,1,0,1|2,0,0]=4 213 B14R2.25733 CC(C1=NN(C)C2=C1C=CC=C2)=O PI-46812 [0,0,0,1,0,1|2,0,0]=4 214 B14R2.19 O=C1CCN(C1)Cc2ccccc2 PI-42677 [0,0,0,1,0,1|2,0,0]=4 215 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 PI-16270 [0,0,0,1,0,1|2,0,0]=4 216 B14R2.19 O=C1OC[C@H](N1)Cc2ccccc2 PI-10266 [0,0,0,1,0,1|2,0,0]=4 217 B14R2.598 O=C1CC(C(=O)O1)c2ccccc2 PI-30072 [0,0,0,1,0,1|1,0,1]=4 218 B14R2.260 CC1C(=O)OC(=N1)C2=CC=CC=C2 PI-24662 [0,1,0,1,0,0|1,0,1]=4 219 B14R2.260 CC1CN(NC1=O)C2=CC=CC=C2 PI-14300 [0,1,0,1,0,0|2,0,0]=4 220 B14R2.20 C1CC(=O)OC1C2=CC=C(C=C2)F PI-11378 [0,1,0,1,0,0|0,0,0]=2 221 B14R2.450 CC1=C(SC2=CC=CC=C12)C(=O)C PI-26238 [0,1,0,1,0,0|1,0,1]=4 222 B14R2.2 CC(=O)OC1=COC2=CC=CC=C21 PI-26983 [0,1,0,1,0,0|0,0,2]=4 223 B14R2.2 CC(=O)Oc1c[nH]c2ccccc12 PI-18747 [0,1,0,1,0,0|0,0,2]=4 224 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [1,0,0,0,1,0|2,0,0]=4 225 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [1,0,0,0,1,0|2,0,0]=4 226 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,0,0,0,1,0|1,0,0]=3 227 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [1,0,0,0,1,0|2,0,0]=4 228 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [1,0,0,0,1,0|2,0,0]=4 229 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,0,0,0,1,0|1,0,1]=4 230 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [1,0,0,0,1,0|1,0,0]=3 231 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [1,0,0,0,1,0|1,0,0]=3 232 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [1,0,0,0,1,0|1,0,0]=3 233 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [1,0,0,0,1,0|1,0,0]=3 234 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [1,0,0,0,1,0|1,1,0]=4 235 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [1,0,0,0,1,0|2,0,0]=4 236 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [1,0,0,0,1,0|2,0,0]=4 237 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O PI-28809 [1,0,0,0,0,1|2,0,0]=4 238 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O PI-32597 [1,0,0,0,0,1|2,0,0]=4 239 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [1,0,0,0,0,1|0,1,0]=3 240 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [1,0,0,0,0,1|1,0,0]=3 241 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [1,0,0,0,0,1|0,0,2]=4 242 B12R1.252 ClC(=O)COCc1ccccc1 PI-35826 [1,0,0,0,0,1|1,0,0]=3 243 B12R1.252 OC(=O)CCCc1ccccc1 PI-29265 [1,0,0,0,0,1|2,0,0]=4 244 B12R1.252 OC(=O)CNCc1ccccc1 PI-27252 [1,0,0,0,0,1|2,0,0]=4 245 B12R1.252 OC(=O)COCc1ccccc1 PI-33690 [1,0,0,0,0,1|1,0,0]=3 246 B12R1.252 [O-]C(=O)CCCc1ccccc1 PI-38535 [1,0,0,0,0,1|2,0,0]=4