0 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [0,0,0,0,0,0|0,0,1]=1 5 B11R1.91 C1=CN=C(N=C1)SCC(=O)O PI-21347 [0,0,0,0,0,0|2,1,0]=3 6 B11R1.91 C1=CN=CC=C1SCC(=O)Cl PI-45977 [0,0,0,0,0,0|2,1,0]=3 7 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.91 NC(=S)NCc1ccccc1 PI-20347 [0,0,0,0,0,0|3,1,0]=4 14 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.91 OB(\C=C\c1ccccc1)O PI-25014 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [0,0,0,0,0,0|1,0,1]=2 17 B11R1.91 OC(=O)\C=C\c1ccccn1 PI-28790 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.91 OC(=O)\C=C\c1cccnc1 PI-28055 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.91 OC(=O)\C=C\c1ccncc1 PI-31341 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [0,0,0,0,0,0|1,0,1]=2 21 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [0,0,0,0,0,0|2,0,1]=3 22 B11R1.91 [O-][N+](=O)\C=C\c1ccccc1 PI-36903 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,0,0,0,0,0|1,1,1]=4 31 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.17 NCCCc1ccccc1 PI-11351 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.17 OCCCc1ccccn1 PI-33813 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.17 OCCCc1ccncc1 PI-31736 [1,0,0,0,0,0|2,0,1]=4 36 B12R1.21 C1=C(C=NC(=N1)OCC(=O)O)Br PI-44078 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.21 C1=C(C=NC(=N1)SCC(=O)O)Br PI-44079 [0,1,0,0,0,0|2,1,0]=4 38 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F PI-31203 [0,1,0,0,0,0|1,0,1]=3 39 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O PI-11519 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [0,1,0,0,0,0|1,0,0]=2 41 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [0,1,0,0,0,0|1,0,0]=2 42 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O PI-17023 [0,1,0,0,0,0|0,1,0]=2 43 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O PI-17923 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.21 C1=CC(=CC=C1OCC(=O)Cl)Cl PI-48840 [0,1,0,0,0,0|1,0,0]=2 45 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br PI-11970 [0,1,0,0,0,0|0,0,0]=1 46 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl PI-32616 [0,1,0,0,0,0|0,0,0]=1 47 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F PI-10469 [0,1,0,0,0,0|0,0,0]=1 48 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I PI-12100 [0,1,0,0,0,0|0,0,0]=1 49 B12R1.21 C1=CC(=CC=C1OCC(=O)[O-])Cl PI-48839 [0,1,0,0,0,0|0,0,1]=2 50 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl PI-30390 [0,1,0,0,0,0|1,1,0]=3 52 B12R1.21 CC(=O)NNC1=CC=C(C=C1)Br PI-50329 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O PI-11523 [0,1,0,0,0,0|1,0,1]=3 55 B12R1.21 C[C@H](CCc1ccc(cc1)O)O PI-38464 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.21 ClC(=O)COc1ccc(F)cc1 PI-23819 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [0,1,0,0,0,0|1,0,0]=2 59 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.21 OC(=O)CNc1ccc(cc1)F PI-38811 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.21 OC(=O)COc1ccc(=O)[nH]n1 PI-36401 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.21 OC(=O)COc1ccc(C)cc1 PI-30986 [0,1,0,0,0,0|0,0,0]=1 63 B12R1.21 OC(=O)\C=C\c1ccc(N)cc1 PI-28305 [0,1,0,0,0,0|1,0,1]=3 64 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl PI-11979 [0,1,0,0,0,0|1,0,1]=3 65 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O PI-20417 [0,1,0,0,0,0|1,0,1]=3 66 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.27 C1=CC=C(C=C1)OCC(=O)NN PI-50252 [0,1,0,0,0,0|1,0,0]=2 72 B12R1.27 C1=CC=C(C=C1)OCC(CO)O PI-33776 [0,1,0,0,0,0|0,0,2]=3 73 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [0,1,0,0,0,0|0,1,0]=2 76 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N PI-14958 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.43 C1=CC=C(C=C1)C=C(C(=O)O)F PI-25464 [0,1,0,0,0,0|1,0,1]=3 81 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [0,1,0,0,0,0|1,0,0]=2 84 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [0,1,0,0,0,0|1,0,0]=2 85 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N PI-14954 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.43 C=C(C(=O)O)Cc1ccccc1 PI-12179 [0,1,0,0,0,0|1,0,1]=3 87 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [0,1,0,0,0,0|1,0,1]=3 89 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [0,1,0,0,0,0|0,0,0]=1 91 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [0,1,0,0,0,0|1,0,0]=2 92 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 PI-25509 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O PI-25508 [0,1,0,0,0,0|2,0,0]=3 94 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [0,1,0,0,0,0|1,0,1]=3 95 B12R1.43 OC(=O)[C@@H](Cc1ccccn1)N PI-14955 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N PI-14959 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [0,1,0,0,0,0|1,0,0]=2 98 B12R1.107 C1=CC(=CN=C1)C(CC(=O)O)N PI-45558 [0,1,0,0,0,0|2,0,0]=3 99 B12R1.107 C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] PI-21378 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-18757 [0,1,0,0,0,0|1,0,0]=2 101 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-32818 [0,1,0,0,0,0|1,0,0]=2 102 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C PI-26590 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.107 CC(N[C@H](C1=CC=CC=C1)C)=O PI-26251 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [0,1,0,0,0,0|1,0,0]=2 105 B12R1.107 N[C@H](c1ccccc1)CC(=O)O PI-18530 [0,1,0,0,0,0|1,0,0]=2 106 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18173 [0,1,0,0,0,0|1,0,0]=2 107 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18923 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18924 [0,1,0,0,0,0|1,0,0]=2 109 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)Cl)Cl PI-20015 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl PI-23702 [0,1,0,0,0,0|1,0,1]=3 111 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F PI-31196 [0,1,0,0,0,0|1,0,1]=3 112 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [0,1,0,0,0,0|1,0,0]=2 114 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [0,1,0,0,0,0|1,0,0]=2 115 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl PI-32617 [0,1,0,0,0,0|0,0,0]=1 116 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [0,1,0,0,0,0|1,0,0]=2 117 B12R1.125 CC1=CC=CC=C1OCC(=O)O PI-30248 [0,1,0,0,0,0|0,0,0]=1 118 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O PI-11520 [0,1,0,0,0,0|1,0,1]=3 119 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [0,1,0,0,0,0|1,0,0]=2 120 B12R1.125 OC(=O)\C=C\c1ccccc1C PI-11522 [0,1,0,0,0,0|1,0,1]=3 121 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [0,1,0,0,0,0|1,0,1]=3 122 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O PI-50533 [0,1,0,0,0,0|0,0,0]=1 123 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O PI-31202 [0,1,0,0,0,0|1,0,1]=3 124 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O PI-11521 [0,1,0,0,0,0|1,0,1]=3 125 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [0,1,0,0,0,0|1,0,0]=2 126 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O PI-30448 [0,1,0,0,0,0|1,0,1]=3 127 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [0,1,0,0,0,0|1,0,0]=2 128 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O PI-50532 [0,1,0,0,0,0|0,0,0]=1 129 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [0,1,0,0,0,0|1,0,0]=2 131 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br PI-20686 [0,1,0,0,0,0|1,0,1]=3 132 B12R1.891 C1=CN=CC=C1CCS(=O)(=O)O PI-32898 [0,1,0,0,0,0|3,0,0]=4 133 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [0,0,0,1,0,0|2,0,1]=4 135 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [0,0,0,1,0,0|2,0,1]=4 136 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [0,0,0,1,0,0|2,0,0]=3 137 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [0,0,0,1,0,0|2,0,1]=4 138 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,0,0,1,0,0|2,0,0]=3 139 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,0,0,1,0,0|2,0,0]=3 140 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [0,0,0,1,0,0|1,1,0]=3 141 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [0,0,0,1,0,0|2,0,1]=4 143 B12R2.2057 C1C(O1)COC2=CC=CC=C2 PI-32351 [0,0,0,1,0,0|1,0,1]=3 144 B12R2.2057 C1C(O1)COC2=CC=CC=C2 PI-32352 [0,0,0,1,0,0|1,0,1]=3 145 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [0,0,0,1,0,0|1,0,0]=2 146 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [0,0,0,0,1,0|1,0,1]=3 147 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [0,0,0,0,1,0|2,0,1]=4 148 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [0,0,0,0,1,0|1,0,0]=2 149 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [0,0,0,0,1,0|1,0,0]=2 150 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [0,0,0,0,1,0|3,0,0]=4 151 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [0,0,0,0,1,0|1,0,0]=2 152 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [0,0,0,0,1,0|1,0,0]=2 153 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [0,0,0,0,1,0|2,0,0]=3 154 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [0,0,0,0,1,0|2,0,1]=4 155 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [0,0,0,0,1,0|2,0,0]=3 156 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [0,0,0,0,1,0|2,0,0]=3 157 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [0,0,0,0,1,0|2,0,0]=3 158 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [0,0,0,0,1,0|2,0,0]=3 159 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [0,0,0,0,1,0|1,1,0]=3 160 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [0,0,0,0,1,0|3,0,0]=4 161 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [0,0,0,0,1,0|1,0,0]=2 162 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [0,0,0,0,1,0|1,0,0]=2 163 B10R1.18 OC(=O)Cc1cncnc1 PI-32944 [0,0,0,0,1,0|2,0,0]=3 164 B10R1.66 C1=COC=C1C=CC(=O)O PI-17379 [0,0,0,0,1,0|2,0,1]=4 165 B10R1.66 C1=CSC(=N1)CCC(=O)O PI-24109 [0,0,0,0,1,0|3,0,0]=4 166 B10R1.66 C1=CSC=C1C=CC(=O)O PI-29082 [0,0,0,0,1,0|2,0,1]=4 167 B10R1.66 OC(=O)CCc1cccs1 PI-24513 [0,0,0,0,1,0|2,0,0]=3 168 B10R1.66 OC(=O)\C=C\c1ccco1 PI-28626 [0,0,0,0,1,0|2,0,1]=4 169 B10R1.66 OC(=O)\C=C\c1ccco1 PI-31027 [0,0,0,0,1,0|2,0,1]=4 170 B10R1.66 OC(=O)\C=C\c1cccs1 PI-28053 [0,0,0,0,1,0|2,0,1]=4 171 B10R1.66 OC(=O)\C=C\c1cccs1 PI-39126 [0,0,0,0,1,0|2,0,1]=4 172 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O PI-28809 [0,0,0,0,0,1|1,0,0]=2 173 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O PI-32597 [0,0,0,0,0,1|0,0,0]=1 174 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [0,0,0,0,0,1|1,1,0]=3 175 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [0,0,0,0,0,1|2,0,0]=3 176 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [0,0,0,0,0,1|1,0,1]=3 177 B12R1.252 ClC(=O)COCc1ccccc1 PI-35826 [0,0,0,0,0,1|1,0,0]=2 178 B12R1.252 OC(=O)CCCc1ccccc1 PI-29265 [0,0,0,0,0,1|1,0,0]=2 179 B12R1.252 OC(=O)CNCc1ccccc1 PI-27252 [0,0,0,0,0,1|1,0,0]=2 180 B12R1.252 OC(=O)COCc1ccccc1 PI-33690 [0,0,0,0,0,1|0,0,0]=1 181 B12R1.252 [O-]C(=O)CCCc1ccccc1 PI-38535 [0,0,0,0,0,1|1,0,1]=3 182 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [2,0,0,0,0,0|1,0,1]=4 183 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [2,0,0,0,0,0|1,0,1]=4 184 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [2,0,0,0,0,0|0,1,1]=4 185 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [2,0,0,0,0,0|1,0,1]=4 190 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [2,0,0,0,0,0|1,0,1]=4 191 B9R1.8 COCC1=CC=CC=C1 PI-19695 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [2,0,0,0,0,0|1,0,1]=4 193 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [2,0,0,0,0,0|1,0,1]=4 194 B9R1.8 NOCc1ccccc1 PI-11329 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [2,0,0,0,0,0|1,0,1]=4 196 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [2,0,0,0,0,0|1,0,0]=3 197 B11R1.1 C#CCOc1ccc(cc1)N PI-38734 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.1 C1=CC(=CC=C1CCCO)Cl PI-20215 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.1 C1=CC(=CC=C1CCCO)O PI-46961 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.1 C1=CC(=CC=C1N)OCCCl PI-47269 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.1 C1=CC(=CC=C1OCCO)Br PI-19473 [1,1,0,0,0,0|0,0,1]=3 203 B11R1.1 C1=CC(=CC=C1OCCO)Cl PI-19256 [1,1,0,0,0,0|0,0,1]=3 204 B11R1.1 C1=CC(=CC=C1\C=C\C=O)Br PI-46501 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.1 C1=CC(=CC=C1\C=C\C=O)F PI-46524 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.1 C=CCOC1=CC=C(C=C1)Cl PI-30132 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.1 CC1=CC=C(C=C1)OCC#N PI-30497 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.1 CCCOC1=CC=C(C=C1)Br PI-30574 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.1 CCCOc1ccc(cc1)O PI-16211 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.1 ClCCOc1ccc(cc1)Cl PI-13022 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.1 N#CCOc1ccc(F)cc1 PI-23816 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.1 N#CCOc1ccc(cc1)Cl PI-30527 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.1 O=C\C=C/c1ccc(F)cc1 PI-32827 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.1 OCCCc1ccc(cc1)Br PI-39007 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30207 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30952 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-45013 [1,1,0,0,0,0|1,0,1]=4 219 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)Br PI-46499 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)F PI-46537 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.17 OCCSc1ccccc1Br PI-22561 [1,1,0,0,0,0|0,1,1]=4 222 B11R1.24 C1=CC(=CC(=C1)Br)\C=C\C=O PI-46500 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.24 C1=CC(=CC(=C1)Cl)\C=C\C=O PI-46546 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.24 COCOC1=CC(=CC=C1)Br PI-43270 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 PI-46535 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.24 OCCSc1cccc(C)c1 PI-24821 [1,1,0,0,0,0|0,1,1]=4 227 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [1,1,0,0,0,0|1,0,1]=4 228 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.28 C1=CC=C(C=C1)NCCCO PI-46938 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.28 C1=CC=C(C=C1)OCCCBr PI-32239 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.28 NCCOCc1ccccc1 PI-36880 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.28 OCCOCc1ccccc1 PI-24526 [1,1,0,0,0,0|0,0,1]=3 233 B11R1.28 OCCSCc1ccccc1 PI-20759 [1,1,0,0,0,0|0,1,1]=4 234 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.20 C1=C(C=NC(=N1)CC(=O)O)F PI-45132 [0,1,0,0,1,0|2,0,0]=4 239 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [0,1,0,0,1,0|1,0,0]=3 240 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [0,1,0,0,1,0|1,0,0]=3 241 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,1,0,0,1,0|0,0,0]=2 242 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,1,0,0,1,0|0,0,0]=2 243 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,1,0,0,1,0|0,0,0]=2 244 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,1,0,0,1,0|1,0,0]=3 245 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [0,1,0,0,1,0|1,0,0]=3 246 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl PI-32201 [0,1,0,0,1,0|1,0,0]=3 247 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,1,0,0,1,0|1,0,0]=3 248 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [0,1,0,0,1,0|2,0,0]=4 249 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [0,1,0,0,1,0|2,0,0]=4 250 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [0,1,0,0,1,0|2,0,0]=4 251 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [0,1,0,0,1,0|2,0,0]=4 252 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [0,1,0,0,1,0|1,0,0]=3 253 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [0,1,0,0,1,0|1,0,0]=3 254 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [0,1,0,0,1,0|1,0,0]=3 255 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [0,1,0,0,1,0|1,1,0]=4 256 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [0,1,0,0,1,0|1,0,0]=3 257 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,1,0,0,1,0|0,0,0]=2 258 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [0,1,0,0,1,0|2,0,0]=4 259 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [0,1,0,0,1,0|1,0,0]=3 260 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [0,1,0,0,1,0|1,0,0]=3 261 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [0,1,0,0,1,0|1,0,0]=3 262 B11R1.20 ClC(=S)Oc1ccc(C)cc1 PI-24674 [0,1,0,0,1,0|1,1,0]=4 263 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,1,0,0,1,0|0,0,0]=2 264 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,1,0,0,1,0|0,0,0]=2 265 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,1,0,0,1,0|0,0,0]=2 266 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,1,0,0,1,0|0,0,0]=2 267 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [0,1,0,0,1,0|0,0,0]=2 268 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [0,1,0,0,1,0|0,0,0]=2 269 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,1,0,0,1,0|0,0,0]=2 270 B11R1.36 C1=CN=CC=C1C(C(=O)O)N PI-36241 [0,1,0,0,1,0|1,0,0]=3 271 B11R1.36 C1C=CCC(=C1)C(C(=O)O)N PI-28324 [0,1,0,0,1,0|0,0,2]=4 272 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [0,1,0,0,1,0|0,0,1]=3 273 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,1,0,0,1,0|0,0,0]=2 274 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,1,0,0,1,0|0,0,0]=2 275 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,1,0,0,1,0|0,0,0]=2 276 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [0,1,0,0,1,0|0,0,0]=2 277 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [0,1,0,0,1,0|1,0,0]=3 278 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,1,0,0,1,0|1,0,1]=4 279 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,1,0,0,1,0|0,0,1]=3 280 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,1,0,0,1,0|0,0,0]=2 281 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,1,0,0,1,0|0,0,0]=2 282 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [0,1,0,0,1,0|0,0,0]=2 283 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [0,1,0,0,1,0|0,0,0]=2 284 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,1,0,0,1,0|1,0,0]=3 285 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [0,1,0,0,1,0|2,0,0]=4 286 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [0,1,0,0,1,0|2,0,0]=4 287 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [0,1,0,0,1,0|2,0,0]=4 288 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [0,1,0,0,1,0|2,0,0]=4 289 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [0,1,0,0,1,0|1,0,0]=3 290 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [0,1,0,0,1,0|1,0,0]=3 291 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [0,1,0,0,1,0|0,0,0]=2 292 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [0,1,0,0,1,0|0,0,0]=2 293 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [0,1,0,0,1,0|0,0,0]=2 294 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [0,1,0,0,1,0|0,0,0]=2 295 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [0,1,0,0,1,0|0,0,0]=2 296 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [0,1,0,0,1,0|0,0,0]=2 297 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [0,1,0,0,1,0|0,0,0]=2 298 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [0,1,0,0,1,0|1,0,0]=3 299 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [0,1,0,0,1,0|2,0,0]=4 300 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [0,1,0,0,1,0|2,0,0]=4 301 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [0,1,0,0,1,0|2,0,0]=4 302 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [0,1,0,0,1,0|1,0,0]=3 303 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [0,1,0,0,1,0|0,0,0]=2 304 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [0,1,0,0,1,0|0,0,0]=2 305 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [0,1,0,0,1,0|0,0,0]=2 306 B11R1.509 C1=CC=C(C=C1)OP(=O)(Cl)Cl PI-44900 [0,1,0,0,1,0|2,0,0]=4 307 B11R1.509 C1=CC=C(C=C1)OP(=O)(Cl)Cl PI-44923 [0,1,0,0,1,0|2,0,0]=4 308 B11R1.509 C1=CC=C(C=C1)OP(=O)(N)N PI-30898 [0,1,0,0,1,0|2,0,0]=4 309 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PI-28365 [0,1,0,0,1,0|1,0,1]=4 310 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 PI-12785 [0,1,0,0,1,0|1,0,1]=4 311 B11R1.509 ClS(=O)(=O)Cc1ccccc1 PI-30257 [0,1,0,0,1,0|1,0,1]=4 312 B11R1.509 NS(=O)(=O)Cc1ccccc1 PI-30638 [0,1,0,0,1,0|1,0,1]=4 313 B11R1.509 OP(=O)(Cc1ccccc1)O PI-30850 [0,1,0,0,1,0|1,0,0]=3 314 B11R1.25 COC(=O)CCc1ccc[nH]1 PI-39032 [0,1,0,0,1,0|2,0,0]=4 315 B11R1.35 C1=COC(=C1)CC(C(=O)O)N PI-43398 [0,1,0,0,1,0|2,0,0]=4 316 B11R1.35 C1=COC(=C1)CC(C(=O)O)N PI-43461 [0,1,0,0,1,0|2,0,0]=4 317 B11R1.35 C1=CSC(=C1)CC(C(=O)O)N PI-25746 [0,1,0,0,1,0|2,0,0]=4 318 B11R1.35 C1=CSC=C1CC(C(=O)O)N PI-25186 [0,1,0,0,1,0|2,0,0]=4 319 B11R1.35 C1=CSC=C1CC(C(=O)O)N PI-25492 [0,1,0,0,1,0|2,0,0]=4 320 B11R1.35 OC(=O)[C@H](Cc1cccs1)N PI-25369 [0,1,0,0,1,0|2,0,0]=4 321 B11R1.77 C1=CSC(=C1)C(CC(=O)O)N PI-17003 [0,1,0,0,1,0|2,0,0]=4 322 B11R1.77 C1=CSC(=C1)C(CC(=O)O)N PI-17004 [0,1,0,0,1,0|2,0,0]=4 323 B13R1.45 C1=CC=C(C=C1)C(=O)C=CC(=O)O PI-30741 [0,1,0,0,0,1|1,0,1]=4 324 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O PI-48841 [0,1,0,0,0,1|1,0,0]=3 325 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 PI-26318 [0,1,0,0,0,1|2,0,0]=4 326 B13R1.45 O=C(O)CSC(C1=CC=CC=C1)=S PI-18986 [0,1,0,0,0,1|0,1,0]=3 327 B13R1.45 OC(=O)CCC(=O)c1ccccn1 PI-14681 [0,1,0,0,0,1|2,0,0]=4 328 B13R1.149 OC(=O)CCCc1cccc(c1)N PI-26975 [0,1,0,0,0,1|1,0,0]=3 329 B13R1.348 C1=CC=C(C=C1)OC(=O)CC(=O)O PI-18496 [0,1,0,0,0,1|0,0,0]=2 330 B13R1.348 CC(=CC1=CC=CC=C1)CC(=O)N PI-17442 [0,1,0,0,0,1|2,0,0]=4 331 B13R1.348 OC(=O)C[C@@H](N)Cc1ccccc1 PI-13008 [0,1,0,0,0,1|1,0,0]=3 332 B13R1.348 OC(=O)C[C@H](N)Cc1ccccc1 PI-13007 [0,1,0,0,0,1|1,0,0]=3 333 B13R1.351 C1=C(CCC(C(O)=O)N)C=CC=C1 PI-16082 [0,1,0,0,0,1|1,0,0]=3 334 B13R1.351 C1=CC=C(C=C1)CCC(=O)C(=O)O PI-32065 [0,1,0,0,0,1|1,0,0]=3 335 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N PI-14962 [0,1,0,0,0,1|1,0,0]=3 336 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N PI-18071 [0,1,0,0,0,1|1,0,0]=3 337 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O PI-20839 [0,1,0,0,0,1|1,0,0]=3 338 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O PI-26069 [0,1,0,0,0,1|1,0,0]=3 339 B13R1.351 C1=CC=C(C=C1)SCC(C(=O)O)N PI-14285 [0,1,0,0,0,1|0,1,0]=3 340 B13R1.351 NC(C(=O)O)CCc1ccccc1 PI-26025 [0,1,0,0,0,1|1,0,0]=3 341 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)F PI-26771 [0,1,0,0,0,1|1,0,0]=3 342 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)N PI-26159 [0,1,0,0,0,1|1,0,0]=3 343 B13R1.513 C1=CC(=CC=C1OCCC(=O)O)F PI-17000 [0,1,0,0,0,1|0,0,0]=2 344 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O PI-26662 [0,1,0,0,0,1|1,0,0]=3 345 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 PI-46620 [0,1,0,0,0,1|1,0,0]=3 346 B13R1.513 OC(=O)CCCc1ccc(cc1)I PI-26518 [0,1,0,0,0,1|1,0,0]=3 347 B13R1.718 C1=CC=C(C=C1)COCC(CO)O PI-33777 [0,1,0,0,0,1|0,0,2]=4 348 B13R1.718 C=CC(=O)OCCC1=CC=CC=C1 PI-49342 [0,1,0,0,0,1|2,0,0]=4 349 B13R1.718 COC(=O)CCNC1=CC=CC=C1 PI-35472 [0,1,0,0,0,1|1,0,0]=3 350 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-36062 [0,1,0,0,0,1|1,0,0]=3 351 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-48770 [0,1,0,0,0,1|1,0,0]=3 352 B13R1.718 COC(=O)COCC1=CC=CC=C1 PI-50530 [0,1,0,0,0,1|0,0,0]=2 353 B13R1.3523 CC(O)(C)COCC1=CC=CC=C1 PI-46611 [0,1,0,0,0,1|1,0,1]=4 354 B13R1.3 C1=CC(=CC=C1C=CC(=O)O)C#N PI-20293 [0,2,0,0,0,0|1,0,1]=4 355 B13R1.3 CC(COC1=CC=C(C=C1)OC)O PI-29595 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O PI-11503 [0,2,0,0,0,0|1,0,0]=3 357 B13R1.3 COC1=CC=C(C=C1)OCC(=O)N PI-29464 [0,2,0,0,0,0|1,0,0]=3 358 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O PI-32588 [0,2,0,0,0,0|0,0,0]=2 359 B13R1.3 COC1=CC=C(C=C1)OCC(=S)N PI-29506 [0,2,0,0,0,0|1,1,0]=4 360 B13R1.3 O=C(O)CNC1=CC=C(C#N)C=C1 PI-41138 [0,2,0,0,0,0|1,0,0]=3 361 B13R1.3 O=Cc1ccc(cc1)\C=C\C(=O)O PI-12941 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.3 OCc1ccc(OCC(=O)O)cc1 PI-33775 [0,2,0,0,0,0|0,0,0]=2 363 B13R1.14 C1=CC(=CC=C1OCC(=O)NN)Cl PI-50269 [0,2,0,0,0,0|1,0,0]=3 364 B13R1.14 C1=CC(=CC=C1OCC(=O)NN)F PI-50277 [0,2,0,0,0,0|1,0,0]=3 365 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Cl PI-30910 [0,2,0,0,0,0|1,0,1]=4 366 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O PI-12062 [0,2,0,0,0,0|1,0,1]=4 367 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O PI-11989 [0,2,0,0,0,0|1,0,0]=3 368 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br PI-50596 [0,2,0,0,0,0|0,0,0]=2 369 B13R1.14 O=C(OC)\C=C\C1=CC=C(F)C=C1 PI-33638 [0,2,0,0,0,0|1,0,1]=4 370 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43723 [0,2,0,0,0,0|1,0,0]=3 371 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43789 [0,2,0,0,0,0|1,0,0]=3 372 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Cl PI-30270 [0,2,0,0,0,0|1,0,0]=3 373 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)F PI-15932 [0,2,0,0,0,0|1,0,0]=3 374 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43808 [0,2,0,0,0,0|1,0,0]=3 375 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43854 [0,2,0,0,0,0|1,0,0]=3 376 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 PI-40768 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F PI-38943 [0,2,0,0,0,0|2,0,0]=4 378 B13R1.132 CC1=CC=C(C=C1)C(CC(=O)O)N PI-30845 [0,2,0,0,0,0|1,0,0]=3 379 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28307 [0,2,0,0,0,0|1,0,0]=3 380 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28700 [0,2,0,0,0,0|1,0,0]=3 381 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-10516 [0,2,0,0,0,0|1,0,0]=3 382 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-28142 [0,2,0,0,0,0|1,0,0]=3 383 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-18608 [0,2,0,0,0,0|1,0,0]=3 384 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-28063 [0,2,0,0,0,0|1,0,0]=3 385 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28308 [0,2,0,0,0,0|1,0,0]=3 386 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28701 [0,2,0,0,0,0|1,0,0]=3 387 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-43383 [0,2,0,0,0,0|1,0,0]=3 388 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-45778 [0,2,0,0,0,0|1,0,0]=3 389 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O PI-42784 [0,2,0,0,0,0|1,0,0]=3 390 B13R1.133 C1=CC(=CC=C1N)NC(=O)C(=O)O PI-30042 [0,2,0,0,0,0|1,0,1]=4 391 B13R1.133 CC(=CC1=CC=C(C=C1)F)C(=O)O PI-36345 [0,2,0,0,0,0|1,0,1]=4 392 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43207 [0,2,0,0,0,0|1,0,0]=3 393 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43615 [0,2,0,0,0,0|1,0,0]=3 394 B13R1.133 Clc1ccc(cc1)OC(C)C(=O)O PI-32596 [0,2,0,0,0,0|0,0,0]=2 395 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Br PI-30137 [0,2,0,0,0,0|1,0,0]=3 396 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl PI-30896 [0,2,0,0,0,0|1,0,0]=3 397 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)I PI-18181 [0,2,0,0,0,0|1,0,0]=3 398 B13R1.133 NC(CC1=CC=C(C=C1)O)C(O)=O PI-25670 [0,2,0,0,0,0|1,0,0]=3 399 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)F PI-28220 [0,2,0,0,0,0|1,0,0]=3 400 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N PI-28895 [0,2,0,0,0,0|1,0,0]=3 401 B13R1.133 Oc1ccc(cc1)C[C@H](N)C(=O)O PI-27245 [0,2,0,0,0,0|1,0,0]=3 402 B13R1.133 Oc1ccc(cc1)C[C@H](O)C(=O)O PI-36348 [0,2,0,0,0,0|1,0,0]=3 403 B13R1.133 Oc1ccc(cc1)O[C@H](C)C(=O)O PI-12991 [0,2,0,0,0,0|0,0,0]=2 404 B13R1.164 C1=CC(=C(C=C1Br)Br)OCC(=O)O PI-20985 [0,2,0,0,0,0|0,0,0]=2 405 B13R1.164 C1=CC(=C(C=C1Br)F)C=CC(=O)O PI-28168 [0,2,0,0,0,0|1,0,1]=4 406 B13R1.164 C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O PI-25087 [0,2,0,0,0,0|1,0,1]=4 407 B13R1.164 C1=CC(=C(C=C1Cl)Cl)CCC(=O)O PI-21079 [0,2,0,0,0,0|1,0,0]=3 408 B13R1.164 C1=CC(=C(C=C1F)Br)C=CC(=O)O PI-21447 [0,2,0,0,0,0|1,0,1]=4 409 B13R1.164 C1=CC(=C(C=C1F)Cl)C=CC(=O)O PI-17321 [0,2,0,0,0,0|1,0,1]=4 410 B13R1.164 C1=CC(=C(C=C1F)F)C=CC(=O)O PI-21157 [0,2,0,0,0,0|1,0,1]=4 411 B13R1.164 OC(=O)\C=C\c1ccc(Cl)cc1F PI-10439 [0,2,0,0,0,0|1,0,1]=4 412 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)Br)F PI-21448 [0,2,0,0,0,0|1,0,1]=4 413 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl PI-25089 [0,2,0,0,0,0|1,0,1]=4 414 B13R1.511 C1=CC(=C(C=C1OCC(=O)O)Cl)Cl PI-50534 [0,2,0,0,0,0|0,0,0]=2 415 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C PI-21974 [0,2,0,0,0,0|0,0,0]=2 416 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 PI-11882 [0,2,0,0,0,0|1,0,0]=3 417 B13R1.511 OC(=O)CCc1ccc(c(c1)F)F PI-21170 [0,2,0,0,0,0|1,0,0]=3 418 B13R1.511 OC(=O)\C=C\c1ccc(F)c(F)c1 PI-21159 [0,2,0,0,0,0|1,0,1]=4 419 B13R1.511 OC(=O)\C=C\c1ccc(c(c1)O)O PI-11525 [0,2,0,0,0,0|1,0,1]=4 420 B13R1.11 COC(=O)CC(=O)C1=CN=CC=C1 PI-24484 [0,2,0,0,0,0|2,0,0]=4 421 B13R1.15 COC(=O)CCc1cccc(O)c1 PI-36322 [0,2,0,0,0,0|1,0,0]=3 422 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 PI-28355 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 PI-48955 [0,2,0,0,0,0|1,0,1]=4 424 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [0,2,0,0,0,0|1,0,0]=3 425 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 PI-17945 [0,2,0,0,0,0|1,0,0]=3 426 B13R1.42 CCOC(=O)COC1=CC=CC=C1 PI-50572 [0,2,0,0,0,0|0,0,0]=2 427 B13R1.135 C1=CC=C(C=C1)C[C@@H](C(=O)NN)N PI-50293 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.135 COC(=O)C(=C)CC1=CC=CC=C1 PI-33772 [0,2,0,0,0,0|1,0,1]=4 429 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N PI-18139 [0,2,0,0,0,0|1,0,0]=3 430 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O PI-15702 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N PI-13397 [0,2,0,0,0,0|1,0,0]=3 432 B13R1.528 C1=CC=C(C(=C1)OCC(=O)NN)Cl PI-50359 [0,2,0,0,0,0|1,0,0]=3 433 B13R1.528 CC1=CC=CC=C1OCC(CO)O PI-42520 [0,2,0,0,0,0|0,0,2]=4 434 B13R1.148 C1=CC(=CC(=C1)Br)CC(C(=O)O)N PI-43732 [0,2,0,0,0,0|1,0,0]=3 435 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43882 [0,2,0,0,0,0|1,0,0]=3 436 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43883 [0,2,0,0,0,0|1,0,0]=3 437 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14973 [0,2,0,0,0,0|1,0,0]=3 438 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14974 [0,2,0,0,0,0|1,0,0]=3 439 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-30399 [0,2,0,0,0,0|1,0,0]=3 440 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43208 [0,2,0,0,0,0|1,0,0]=3 441 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43420 [0,2,0,0,0,0|1,0,0]=3 442 B13R1.148 OC(=O)C(N)Cc1cccc(O)c1 PI-27906 [0,2,0,0,0,0|1,0,0]=3 443 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)O)N PI-33678 [0,2,0,0,0,0|1,0,0]=3 444 B13R1.152 CC(C(=O)C)C(=O)C1=CC=CC=C1 PI-44074 [0,2,0,0,0,0|2,0,0]=4 445 B13R1.152 CC(C1=CC=CC=C1)C(C(=O)O)N PI-30943 [0,2,0,0,0,0|1,0,0]=3 446 B13R1.152 C[C@@H]([C@@H](C1=CC=CC=C1)O)C(=O)O PI-48759 [0,2,0,0,0,0|1,0,0]=3 447 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Br PI-25400 [0,2,0,0,0,0|1,0,0]=3 448 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Br PI-25557 [0,2,0,0,0,0|1,0,0]=3 449 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl PI-43385 [0,2,0,0,0,0|1,0,0]=3 450 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl PI-43881 [0,2,0,0,0,0|1,0,0]=3 451 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-14971 [0,2,0,0,0,0|1,0,0]=3 452 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-14972 [0,2,0,0,0,0|1,0,0]=3 453 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-27404 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)O PI-27375 [0,2,0,0,0,0|1,0,0]=3 455 B13R1.202 CC1=CC=CC=C1CC(C(=O)O)N PI-43884 [0,2,0,0,0,0|1,0,0]=3 456 B13R1.202 OC(=O)[C@@H](Cc1ccccc1C)N PI-39411 [0,2,0,0,0,0|1,0,0]=3 457 B13R1.418 CCC(C(=O)O)OC1=CC=CC=C1 PI-32600 [0,2,0,0,0,0|0,0,0]=2 458 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O PI-43815 [0,2,0,0,0,0|1,0,0]=3 459 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14932 [0,2,0,0,0,0|1,0,0]=3 460 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14933 [0,2,0,0,0,0|1,0,0]=3 461 B13R1.1073 OC(=O)C(Cc1ccccc1)(N)C PI-30075 [0,2,0,0,0,0|1,0,0]=3 462 B13R1.147 C1=CC(=CC(=C1)F)C(CC(=O)O)N PI-15931 [0,2,0,0,0,0|1,0,0]=3 463 B13R1.201 C1=CC=C(C(=C1)C(CC(=O)O)N)F PI-43521 [0,2,0,0,0,0|1,0,0]=3 464 B13R1.201 C1=CC=C(C(=C1)C(CC(=O)O)N)F PI-43522 [0,2,0,0,0,0|1,0,0]=3 465 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 PI-30652 [0,2,0,0,0,0|1,1,0]=4 466 B13R1.713 C1=CC=C(C=C1)C(CC(=O)O)CN PI-42559 [0,2,0,0,0,0|1,0,0]=3 467 B13R1.713 NCC(CC(=O)O)c1ccccc1 PI-10162 [0,2,0,0,0,0|1,0,0]=3 468 B13R1.713 O=C(O)C[C@@H](C1=CC=CC=C1)CN PI-40198 [0,2,0,0,0,0|1,0,0]=3 469 B13R1.713 O=C(O)C[C@H](C1=CC=CC=C1)CN PI-40199 [0,2,0,0,0,0|1,0,0]=3 470 B13R1.90 C1=CC=C(C(=C1)C=CC(=O)O)C=O PI-12905 [0,2,0,0,0,0|1,0,1]=4 471 B13R1.90 CC(COC1=CC=CC=C1OC)O PI-29818 [0,2,0,0,0,0|1,0,1]=4 472 B13R1.90 COC1=CC=CC=C1C=CC(=O)O PI-25170 [0,2,0,0,0,0|1,0,1]=4 473 B13R1.90 COC1=CC=CC=C1OCC(=O)N PI-29268 [0,2,0,0,0,0|1,0,0]=3 474 B13R1.90 COC1=CC=CC=C1OCC(=O)O PI-29284 [0,2,0,0,0,0|0,0,0]=2 475 B13R1.90 COc1ccccc1CCC(=O)O PI-25761 [0,2,0,0,0,0|1,0,0]=3 476 B13R1.150 C1=CC(=C(C(=C1)Cl)Cl)OCC(=O)O PI-50535 [0,2,0,0,0,0|0,0,0]=2 477 B13R1.150 C1=CC(=C(C(=C1)F)F)C=CC(=O)O PI-21156 [0,2,0,0,0,0|1,0,1]=4 478 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C PI-23901 [0,2,0,0,0,0|0,0,0]=2 479 B13R1.893 C1=CC(=C(C=C1Br)C=CC(=O)O)F PI-21449 [0,2,0,0,0,0|1,0,1]=4 480 B13R1.893 C1=CC(=C(C=C1F)C=CC(=O)O)Br PI-34467 [0,2,0,0,0,0|1,0,1]=4 481 B13R1.893 C1=CC(=C(C=C1F)C=CC(=O)O)F PI-21158 [0,2,0,0,0,0|1,0,1]=4 482 B13R1.3787 C1=CC(=C(C(=C1)Cl)C=CC(=O)O)Cl PI-25649 [0,2,0,0,0,0|1,0,1]=4 483 B13R1.3787 C1=CC(=C(C(=C1)Cl)C=CC(=O)O)F PI-20086 [0,2,0,0,0,0|1,0,1]=4 484 B13R1.3787 C1=CC(=C(C(=C1)F)C=CC(=O)O)F PI-10641 [0,2,0,0,0,0|1,0,1]=4 485 B13R1.643 COC1=CC(=CC=C1)OCC(=O)O PI-29330 [0,2,0,0,0,0|0,0,0]=2 486 B13R1.643 COc1cccc(c1)\C=C\C(=O)O PI-25013 [0,2,0,0,0,0|1,0,1]=4 487 B13R1.3420 C1=C(C=C(C=C1F)F)C=CC(=O)O PI-34412 [0,2,0,0,0,0|1,0,1]=4 488 B13R1.3420 O=C(O)\C=C\C1=CC(F)=CC(F)=C1 PI-21160 [0,2,0,0,0,0|1,0,1]=4 489 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [1,0,0,1,0,0|1,0,1]=4 490 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [1,0,0,1,0,0|0,1,1]=4 491 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [1,0,0,1,0,0|2,0,0]=4 492 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [1,0,0,1,0,0|1,1,0]=4 493 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [1,0,0,1,0,0|0,0,0]=2 494 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [1,0,0,1,0,0|0,0,0]=2 495 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [1,0,0,1,0,0|1,0,0]=3 496 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [1,0,0,1,0,0|2,0,0]=4 497 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [1,0,0,1,0,0|0,1,0]=3 498 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [1,0,0,1,0,0|2,0,0]=4 499 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [1,0,0,1,0,0|1,1,0]=4 500 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [1,0,0,1,0,0|2,0,0]=4 501 B11R2.20 C1COc2ccccc2O1 PI-31359 [1,0,0,1,0,0|0,0,1]=3 502 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [1,0,0,1,0,0|1,0,1]=4 503 B11R2.10 BrB1Oc2c(O1)cccc2 PI-38370 [0,0,0,1,1,0|2,0,0]=4 504 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 PI-13499 [0,0,0,1,1,0|2,0,0]=4 505 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br PI-45424 [0,0,0,1,1,0|1,0,1]=4 506 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [0,0,0,1,1,0|1,1,0]=4 507 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [0,0,0,1,1,0|1,0,0]=3 508 B11R2.10 C1C(CC2=CC=CC=C21)O PI-11612 [0,0,0,1,1,0|1,0,1]=4 509 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [0,0,0,1,1,0|2,0,0]=4 510 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [0,0,0,1,1,0|2,0,0]=4 511 B11R2.10 CC1=NC2=CC=CC=C2O1 PI-11866 [0,0,0,1,1,0|2,0,0]=4 512 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [0,0,0,1,1,0|1,0,1]=4 513 B11R2.10 ClB1Oc2c(O1)cccc2 PI-38371 [0,0,0,1,1,0|2,0,0]=4 514 B11R2.10 Clc1nc2ccccc2o1 PI-33937 [0,0,0,1,1,0|2,0,0]=4 515 B11R2.10 Nc1nc2ccccc2o1 PI-17283 [0,0,0,1,1,0|2,0,0]=4 516 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [0,0,0,1,1,0|1,0,0]=3 517 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [0,0,0,1,1,0|0,0,0]=2 518 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [0,0,0,1,1,0|1,0,0]=3 519 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [0,0,0,1,1,0|1,1,0]=4 520 B11R2.10 Oc1nc2ccccc2[nH]1 PI-16421 [0,0,0,1,1,0|2,0,0]=4 521 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 PI-10343 [0,0,0,1,0,1|2,0,0]=4 522 B13R2.10 O=C1CCC(O1)c2ccccc2 PI-18042 [0,0,0,1,0,1|1,0,0]=3 523 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 PI-11224 [0,0,0,1,0,1|2,0,0]=4 524 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 PI-46663 [0,0,0,1,0,1|1,0,0]=3 525 B13R2.72 C1=CC=C2C(=C1)C(=CS2)C(=O)O PI-14248 [0,0,0,1,0,1|0,1,1]=4 526 B13R2.72 C1C(C2=CC=CC=C2N1)C(=O)O PI-10081 [0,0,0,1,0,1|1,0,0]=3 527 B13R2.72 CC(=O)N1CCc2c1cccc2 PI-11076 [0,0,0,1,0,1|2,0,0]=4 528 B13R2.72 OC(=O)c1c[nH]c2c1cccc2 PI-22764 [0,0,0,1,0,1|1,0,1]=4 529 B13R2.72 OC(=O)c1n[nH]c2c1cccc2 PI-10443 [0,0,0,1,0,1|1,0,1]=4 530 B13R2.163 O=C1CCCc2c(N1)cccc2 PI-22730 [0,0,0,1,0,1|2,0,0]=4 531 B13R2.423 C1C(C1C(=O)Cl)C2=CC=CC=C2 PI-17992 [0,0,0,1,0,1|2,0,0]=4 532 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccccc2 PI-17993 [0,0,0,1,0,1|1,0,0]=3 533 B13R2.2382 C1C(O1)COCC2=CC=CC=C2 PI-10361 [0,0,0,1,0,1|1,0,1]=4 534 B13R2.2382 O(Cc1ccccc1)CC2OC2 PI-35223 [0,0,0,1,0,1|1,0,1]=4 535 B13R2.2382 c1ccc(COC[C@H]2OC2)cc1 PI-16665 [0,0,0,1,0,1|1,0,1]=4 536 B13R2.155 BrC1=CC=C2OCC(=O)NC2=N1 PI-40513 [0,1,0,1,0,0|2,0,0]=4 537 B13R2.155 Brc1cc2NC(=O)COc2cc1 PI-38345 [0,1,0,1,0,0|1,0,0]=3 538 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O PI-10445 [0,1,0,1,0,0|1,0,1]=4 539 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Cl PI-23153 [0,1,0,1,0,0|1,0,0]=3 540 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)O PI-10242 [0,1,0,1,0,0|2,0,0]=4 541 B13R2.527 C1C(O1)COC2=CC=C(C=C2)Br PI-46959 [0,1,0,1,0,0|1,0,1]=4 542 B13R2.32 CC1C(=O)CCC2=CC=CC=C12 PI-17164 [0,1,0,1,0,0|2,0,0]=4 543 B13R2.33 O=C1CCC2=CC=CC=C2CC1 PI-41940 [0,1,0,1,0,0|2,0,0]=4 544 B13R2.57 C1C(OC2=CC=CC=C2O1)CN PI-35451 [0,1,0,1,0,0|1,0,1]=4 545 B13R2.57 C1C(OC2=CC=CC=C2O1)CO PI-29518 [0,1,0,1,0,0|0,0,2]=4 546 B13R2.57 NCC1COc2c(O1)cccc2 PI-14107 [0,1,0,1,0,0|1,0,1]=4 547 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC PI-40939 [0,1,0,1,0,0|1,0,0]=3 548 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [0,1,0,1,0,0|1,0,1]=4 549 B13R2.435 C1=C2C(=CC=C1)[NH]C(=N2)C(=O)O PI-35441 [0,1,0,1,0,0|1,0,1]=4 550 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O PI-22728 [0,1,0,1,0,0|1,0,1]=4 551 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)Cl PI-14800 [0,1,0,1,0,0|1,0,1]=4 552 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)O PI-30651 [0,1,0,1,0,0|0,0,1]=3 553 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)O PI-14824 [0,1,0,1,0,0|0,1,1]=4 554 B13R2.435 C1=CC=C2C(=C1)N=C(O2)C(=O)[O-] PI-48150 [0,1,0,1,0,0|0,0,2]=4 555 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O PI-12890 [0,1,0,1,0,0|1,0,0]=3 556 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O PI-22729 [0,1,0,1,0,0|1,0,0]=3 557 B13R2.435 C1C(OC2=CC=CC=C21)C(=O)O PI-19265 [0,1,0,1,0,0|0,0,0]=2 558 B13R2.435 CC(=O)c1cc2c(o1)cccc2 PI-29182 [0,1,0,1,0,0|1,0,1]=4 559 B13R2.435 OC(=O)[C@@H]1Cc2c(N1)cccc2 PI-10816 [0,1,0,1,0,0|1,0,0]=3 560 B13R2.328 O=c1cc(O)c2ccccc2o1 PI-31737 [0,1,0,1,0,0|1,0,1]=4 561 B13R2.5179 C1CC(=O)NC2=C1C(=CC=C2)O PI-42918 [0,1,0,1,0,0|2,0,0]=4 562 B13R2.3683 C1CC2=C(CC1=O)C=CC(=C2)F PI-17758 [0,1,0,1,0,0|2,0,0]=4 563 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 PI-36976 [0,1,0,1,0,0|1,0,1]=4 564 B13R2.3683 O=C1CCc2c(N1)ccc(c2)N PI-34829 [0,1,0,1,0,0|2,0,0]=4 565 B13R2.3683 O=C1CCc2c(N1)ccc(c2)O PI-22828 [0,1,0,1,0,0|2,0,0]=4 566 B13R2.3683 O=C1CCc2cc(Br)ccc2C1 PI-17751 [0,1,0,1,0,0|2,0,0]=4 567 B13R2.3683 O=C1COc2c(N1)ccc(c2)F PI-39020 [0,1,0,1,0,0|1,0,0]=3 568 B13R2.3683 Oc1ccc2c(c1)ccc(=O)o2 PI-10446 [0,1,0,1,0,0|1,0,1]=4 569 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [0,0,0,0,2,0|2,0,0]=4 570 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [0,0,0,0,2,0|2,0,0]=4 571 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [0,0,0,0,2,0|2,0,0]=4 572 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [0,0,0,0,2,0|1,0,0]=3 573 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [0,0,0,0,2,0|2,0,0]=4 574 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,0,0,0,2,0|1,0,0]=3 575 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [0,0,0,0,2,0|2,0,0]=4 576 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [0,0,0,0,2,0|2,0,0]=4 577 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [0,0,0,0,2,0|2,0,0]=4 578 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [0,0,0,0,2,0|2,0,0]=4 579 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,0,0,0,2,0|2,0,0]=4 580 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,0,0,0,2,0|2,0,0]=4 581 B9R1.6 CC(=O)c1ccncc1 PI-38297 [0,0,0,0,2,0|2,0,0]=4 582 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [0,0,0,0,2,0|1,0,1]=4 583 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [0,0,0,0,2,0|1,0,1]=4 584 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [0,0,0,0,2,0|2,0,0]=4 585 B9R1.6 NC(=N)c1ccccc1 PI-30200 [0,0,0,0,2,0|2,0,0]=4 586 B9R1.6 NC(=O)c1cccnc1 PI-12870 [0,0,0,0,2,0|2,0,0]=4 587 B9R1.6 NC(=S)c1ccccc1 PI-29356 [0,0,0,0,2,0|1,1,0]=4 588 B9R1.6 OB(O)c1ccccc1 PI-16480 [0,0,0,0,2,0|1,0,1]=4 589 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,0,0,0,2,0|1,0,0]=3 590 B9R1.6 OC(=O)c1ccncn1 PI-32629 [0,0,0,0,2,0|2,0,0]=4 591 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [0,0,0,0,2,0|1,0,1]=4 592 B9R1.13 C1=CN(C=N1)CC(=O)O PI-10326 [0,0,0,0,2,0|2,0,0]=4 593 B9R1.13 C1=CN(C=N1)CC(=O)O PI-11655 [0,0,0,0,2,0|2,0,0]=4 594 B9R1.13 C1=CN(N=C1)CC(=O)O PI-35655 [0,0,0,0,2,0|2,0,0]=4 595 B9R1.13 C1=COC=C1CC(=O)O PI-36295 [0,0,0,0,2,0|1,0,0]=3 596 B9R1.13 C1=CSC(=C1)CC(=O)Cl PI-11881 [0,0,0,0,2,0|2,0,0]=4 597 B9R1.13 OC(=O)CC1=CC=C[CH-]1 PI-40764 [0,0,0,0,2,0|0,0,1]=3 598 B9R1.13 OC(=O)Cc1c[nH]cn1 PI-21909 [0,0,0,0,2,0|2,0,0]=4 599 B9R1.13 OC(=O)Cc1cccs1 PI-11148 [0,0,0,0,2,0|1,0,0]=3 600 B9R1.13 OC(=O)Cc1cscc1 PI-15240 [0,0,0,0,2,0|1,0,0]=3 601 B13R1.337 C1=CC=C(C=C1)CCCCC(=O)O PI-44029 [0,0,0,0,0,2|1,0,0]=3 602 B13R1.337 C1=CC=C(C=C1)CCCC[P+](=O)O PI-12441 [0,0,0,0,0,2|2,0,0]=4 603 B13R1.337 C1=CC=C(C=C1)CCCOC(=O)N PI-15744 [0,0,0,0,0,2|2,0,0]=4 604 B13R1.337 C1=CC=C(C=C1)OCCOC(=O)Cl PI-42238 [0,0,0,0,0,2|1,0,0]=3