0 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [0,0,0,0,0,0|2,0,1]=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|3,0,0]=3 3 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 C1=CN=CC=C1SCC(=O)Cl PI-45977 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.91 CC(C)N=CC1=CC=CC=C1 PI-19838 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.91 CN(C)N=CC1=CC=CC=C1 PI-26056 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [0,0,0,0,0,0|1,0,2]=3 12 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [0,0,0,0,0,0|1,0,2]=3 13 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.91 NC(=S)NCc1ccccc1 PI-20347 [0,0,0,0,0,0|2,1,0]=3 15 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.91 OC(=O)\C=C\c1ccccn1 PI-28790 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.91 OC(=O)\C=C\c1cccnc1 PI-28055 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.91 OC(=O)\C=C\c1ccncc1 PI-31341 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.91 [O-][N+](=O)\C=C\c1ccccc1 PI-36903 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [1,0,0,0,0,0|1,1,1]=4 24 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [1,0,0,0,0,0|1,0,1]=3 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 C=CCOc1ccccc1 PI-36466 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.17 CNCCc1ccncc1 PI-12002 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.17 ClCSCc1ccccc1 PI-19537 [1,0,0,0,0,0|1,1,1]=4 38 B10R1.17 N#CSCc1ccccc1 PI-32979 [1,0,0,0,0,0|1,1,1]=4 39 B10R1.17 NCCCc1ccccc1 PI-11351 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [1,0,0,0,0,0|3,0,0]=4 42 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F PI-31203 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O PI-11519 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O PI-17023 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O PI-17923 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.21 C1=CC(=CC=C1OCC(=O)Cl)Cl PI-48840 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br PI-11970 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl PI-32616 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F PI-10469 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I PI-12100 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.21 C1=CC(=CC=C1OCC(=O)[O-])Cl PI-48839 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [0,1,0,0,0,0|1,0,1]=3 55 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl PI-30390 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.21 CC(=O)NNC1=CC=C(C=C1)Br PI-50329 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O PI-11523 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-20840 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-21785 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.21 C[C@H](CCc1ccc(cc1)O)O PI-38464 [0,1,0,0,0,0|1,0,2]=4 62 B12R1.21 ClC(=O)COc1ccc(F)cc1 PI-23819 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.21 OC(=O)CNc1ccc(cc1)F PI-38811 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.21 OC(=O)COc1ccc(C)cc1 PI-30986 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.21 OC(=O)\C=C\c1ccc(N)cc1 PI-28305 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl PI-11979 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O PI-20417 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [0,1,0,0,0,0|1,0,0]=2 73 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [0,1,0,0,0,0|0,0,0]=1 74 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [0,1,0,0,0,0|0,0,0]=1 75 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [0,1,0,0,0,0|1,0,0]=2 76 B12R1.27 C1=CC=C(C=C1)OCC(=O)NN PI-50252 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [0,1,0,0,0,0|0,0,1]=2 78 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,1,0,0,0,0|1,0,0]=2 79 B12R1.27 CNC(=S)NCC1=CC=CC=C1 PI-28336 [0,1,0,0,0,0|1,1,0]=3 80 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.27 C[C@@H](NCC1=CC=CC=C1)CO PI-36948 [0,1,0,0,0,0|1,0,2]=4 82 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [0,1,0,0,0,0|0,0,0]=1 83 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [0,1,0,0,0,0|0,0,0]=1 84 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [0,1,0,0,0,0|1,0,0]=2 85 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N PI-14958 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.43 C1=CC=C(C=C1)C=C(C(=O)O)F PI-25464 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N PI-14954 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.43 C=C(C(=O)O)Cc1ccccc1 PI-12179 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 PI-25509 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O PI-25508 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.43 OC(=O)[C@@H](Cc1ccccn1)N PI-14955 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N PI-14959 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.107 C1=CC(=CN=C1)C(CC(=O)O)N PI-45558 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-18757 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-32818 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 PI-50242 [0,1,0,0,0,0|1,0,2]=4 108 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C PI-26590 [0,1,0,0,0,0|1,0,0]=2 109 B12R1.107 CC(N[C@H](C1=CC=CC=C1)C)=O PI-26251 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.107 CN(C)C[C@H](C1=CC=CC=C1)O PI-50017 [0,1,0,0,0,0|3,0,0]=4 112 B12R1.107 N[C@H](c1ccccc1)CC(=O)O PI-18530 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18173 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18923 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18924 [0,1,0,0,0,0|2,0,0]=3 116 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)Cl)Cl PI-20015 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl PI-23702 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F PI-31196 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl PI-32617 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.125 CC1=CC=CC=C1OCC(=O)O PI-30248 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O PI-11520 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.125 OC(=O)\C=C\c1ccccc1C PI-11522 [0,1,0,0,0,0|2,0,1]=4 128 B12R1.226 C1=CC(=CC(=C1)Br)CN=C(N)N PI-14387 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O PI-50533 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O PI-31202 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O PI-11521 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O PI-30448 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O PI-50532 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br PI-20686 [0,1,0,0,0,0|2,0,1]=4 140 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [0,0,0,1,0,0|1,0,2]=4 141 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [0,0,0,1,0,0|3,0,0]=4 143 B12R2.24 C1CC2=CC=CC=C2CC1N PI-35442 [0,0,0,1,0,0|2,0,1]=4 144 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [0,0,0,1,0,0|1,0,2]=4 145 B12R2.24 C1CC2=CC=CC=C2C[C@@H]1N PI-48325 [0,0,0,1,0,0|2,0,1]=4 146 B12R2.24 C1CC2=CC=CC=C2C[C@H]1N PI-48324 [0,0,0,1,0,0|2,0,1]=4 147 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [0,0,0,1,0,0|2,0,1]=4 149 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [0,0,0,1,0,0|2,0,1]=4 150 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,0,0,1,0,0|1,0,0]=2 151 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,0,0,1,0,0|2,0,0]=3 152 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,0,0,1,0,0|0,0,0]=1 154 B12R2.2057 C1(NCC2=CC=CC=C2)CC1 PI-19108 [0,0,0,1,0,0|2,0,1]=4 155 B12R2.2403 O=S1(OCC2=CC=CC=C12)=O PI-40748 [0,0,0,1,0,0|2,0,0]=3 156 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [0,0,0,1,0,0|2,0,0]=3 157 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [0,0,0,0,1,0|2,0,1]=4 158 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [0,0,0,0,1,0|2,0,1]=4 159 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [0,0,0,0,1,0|2,0,0]=3 160 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [0,0,0,0,1,0|2,0,0]=3 161 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [0,0,0,0,1,0|3,0,0]=4 162 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [0,0,0,0,1,0|1,0,0]=2 163 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [0,0,0,0,1,0|2,0,0]=3 164 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [0,0,0,0,1,0|2,0,0]=3 165 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [0,0,0,0,1,0|1,0,1]=3 166 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [0,0,0,0,1,0|1,0,0]=2 167 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [0,0,0,0,1,0|1,0,0]=2 168 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [0,0,0,0,1,0|1,0,0]=2 169 B10R1.18 CC(=O)NC1=NC=CC=N1 PI-44088 [0,0,0,0,1,0|3,0,0]=4 170 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [0,0,0,0,1,0|2,0,1]=4 171 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [0,0,0,0,1,0|1,0,0]=2 172 B10R1.18 CC(Cc1ccccn1)C PI-13337 [0,0,0,0,1,0|2,0,1]=4 173 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [0,0,0,0,1,0|1,1,0]=3 174 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [0,0,0,0,1,0|3,0,0]=4 175 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [0,0,0,0,1,0|2,0,0]=3 176 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [0,0,0,0,1,0|2,0,0]=3 177 B10R1.18 OC(=O)Cc1cncnc1 PI-32944 [0,0,0,0,1,0|3,0,0]=4 178 B10R1.66 CC(=O)C=CC1=CC=CO1 PI-17492 [0,0,0,0,1,0|2,0,1]=4 179 B10R1.66 CC(=O)C=CC1=CC=CS1 PI-29954 [0,0,0,0,1,0|2,0,1]=4 180 B10R1.66 OC(=O)CCc1cccs1 PI-24513 [0,0,0,0,1,0|3,0,0]=4 181 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O PI-28809 [0,0,0,0,0,1|2,0,0]=3 182 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O PI-32597 [0,0,0,0,0,1|2,0,0]=3 183 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [0,0,0,0,0,1|0,1,0]=2 184 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [0,0,0,0,0,1|1,0,0]=2 185 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [0,0,0,0,0,1|0,0,2]=3 186 B12R1.252 ClC(=O)COCc1ccccc1 PI-35826 [0,0,0,0,0,1|1,0,0]=2 187 B12R1.252 OC(=O)CCCc1ccccc1 PI-29265 [0,0,0,0,0,1|2,0,0]=3 188 B12R1.252 OC(=O)CNCc1ccccc1 PI-27252 [0,0,0,0,0,1|2,0,0]=3 189 B12R1.252 OC(=O)COCc1ccccc1 PI-33690 [0,0,0,0,0,1|1,0,0]=2 190 B12R1.252 [O-]C(=O)CCCc1ccccc1 PI-38535 [0,0,0,0,0,1|2,0,0]=3 191 B9R0.2 CC=CC=CCOC(=O)C PI-40367 [1,0,1,0,0,0|0,0,1]=3 192 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [2,0,0,0,0,0|1,0,1]=4 193 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [2,0,0,0,0,0|0,1,1]=4 194 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [2,0,0,0,0,0|1,0,0]=3 197 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [2,0,0,0,0,0|0,0,1]=3 198 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [2,0,0,0,0,0|0,0,2]=4 199 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [2,0,0,0,0,0|1,0,1]=4 200 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [2,0,0,0,0,0|1,0,1]=4 201 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [2,0,0,0,0,0|1,0,1]=4 202 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [2,0,0,0,0,0|1,0,1]=4 203 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [2,0,0,0,0,0|1,0,1]=4 204 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.8 COCC1=CC=CC=C1 PI-19695 [2,0,0,0,0,0|0,0,0]=2 206 B9R1.8 COCc1ccccn1 PI-38670 [2,0,0,0,0,0|1,0,0]=3 207 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [2,0,0,0,0,0|0,0,1]=3 208 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [2,0,0,0,0,0|0,0,1]=3 209 B9R1.8 NOCc1ccccc1 PI-11329 [2,0,0,0,0,0|1,0,0]=3 210 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [2,0,0,0,0,0|1,0,1]=4 211 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.1 C1=CC(=CC=C1\C=C\C=O)Br PI-46501 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.1 C1=CC(=CC=C1\C=C\C=O)F PI-46524 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.1 CC1=CC=C(C=C1)CN=C=O PI-11439 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.1 CCCCc1ccc(Br)cc1 PI-30595 [1,1,0,0,0,0|1,0,1]=4 219 B11R1.1 CCOCC1=CN=C(C=C1)N PI-44053 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.1 CNCCC1=CC=C(C=C1)O PI-43105 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.1 COCCc1ccc(O)cc1 PI-12149 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.1 O=C=NCc1ccc(cc1)F PI-19104 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.1 O=C\C=C/c1ccc(F)cc1 PI-32827 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [1,1,0,0,0,0|0,0,2]=4 225 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [1,1,0,0,0,0|0,0,2]=4 228 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.17 C1=CC=C(C(=C1)CN=C=O)F PI-26108 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)Br PI-46499 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)F PI-46537 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.17 CC1=CC=CC=C1CN=C=O PI-11437 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.24 C1=CC(=CC(=C1)Br)\C=C\C=O PI-46500 [1,1,0,0,0,0|1,0,1]=4 234 B11R1.24 C1=CC(=CC(=C1)Cl)\C=C\C=O PI-46546 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.24 CC1=CC(=CC=C1)CN=C=O PI-11438 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.24 O=C=NCc1cccc(c1)F PI-26032 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 PI-46535 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [1,1,0,0,0,0|0,0,1]=3 241 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.28 CCOCCC1=CC=CC=N1 PI-19391 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.28 NCCOCc1ccccc1 PI-36880 [1,1,0,0,0,0|0,0,1]=3 244 B11R1.28 OCCOCc1ccccc1 PI-24526 [1,1,0,0,0,0|0,0,1]=3 245 B11R1.28 OCCSCc1ccccc1 PI-20759 [1,1,0,0,0,0|0,1,1]=4 246 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [1,1,0,0,0,0|1,0,1]=4 247 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [1,1,0,0,0,0|1,0,1]=4 248 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [0,1,0,0,1,0|1,0,0]=3 249 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [0,1,0,0,1,0|1,0,0]=3 250 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,1,0,0,1,0|1,0,0]=3 251 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,1,0,0,1,0|1,0,0]=3 252 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,1,0,0,1,0|1,0,0]=3 253 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,1,0,0,1,0|0,0,0]=2 254 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [0,1,0,0,1,0|1,0,0]=3 255 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl PI-32201 [0,1,0,0,1,0|2,0,0]=4 256 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,1,0,0,1,0|0,0,0]=2 257 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [0,1,0,0,1,0|1,0,0]=3 258 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [0,1,0,0,1,0|1,0,0]=3 259 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [0,1,0,0,1,0|1,0,0]=3 260 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [0,1,0,0,1,0|1,0,0]=3 261 B11R1.20 CC(=O)NC1=NC=C(C=C1)N PI-14240 [0,1,0,0,1,0|2,0,0]=4 262 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [0,1,0,0,1,0|0,0,0]=2 263 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [0,1,0,0,1,0|0,0,0]=2 264 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [0,1,0,0,1,0|0,0,0]=2 265 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [0,1,0,0,1,0|0,1,0]=3 266 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [0,1,0,0,1,0|1,0,1]=4 267 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [0,1,0,0,1,0|1,0,1]=4 268 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [0,1,0,0,1,0|0,0,0]=2 269 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,1,0,0,1,0|1,0,0]=3 270 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [0,1,0,0,1,0|2,0,0]=4 271 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [0,1,0,0,1,0|2,0,0]=4 272 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [0,1,0,0,1,0|1,0,0]=3 273 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [0,1,0,0,1,0|1,0,0]=3 274 B11R1.20 ClC(=S)Oc1ccc(C)cc1 PI-24674 [0,1,0,0,1,0|1,1,0]=4 275 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,1,0,0,1,0|1,0,0]=3 276 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,1,0,0,1,0|1,0,0]=3 277 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,1,0,0,1,0|1,0,0]=3 278 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,1,0,0,1,0|1,0,0]=3 279 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [0,1,0,0,1,0|1,0,0]=3 280 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [0,1,0,0,1,0|1,0,0]=3 281 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,1,0,0,1,0|1,0,0]=3 282 B11R1.36 C1=CN=CC=C1C(C(=O)O)N PI-36241 [0,1,0,0,1,0|2,0,0]=4 283 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [0,1,0,0,1,0|1,0,1]=4 284 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,1,0,0,1,0|1,0,0]=3 285 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,1,0,0,1,0|1,0,0]=3 286 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,1,0,0,1,0|1,0,0]=3 287 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [0,1,0,0,1,0|1,0,0]=3 288 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [0,1,0,0,1,0|1,0,0]=3 289 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,1,0,0,1,0|0,0,1]=3 290 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,1,0,0,1,0|1,0,1]=4 291 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,1,0,0,1,0|1,0,0]=3 292 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,1,0,0,1,0|1,0,0]=3 293 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [0,1,0,0,1,0|1,0,0]=3 294 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [0,1,0,0,1,0|1,0,0]=3 295 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,1,0,0,1,0|0,0,0]=2 296 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [0,1,0,0,1,0|1,0,0]=3 297 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [0,1,0,0,1,0|1,0,0]=3 298 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [0,1,0,0,1,0|1,0,0]=3 299 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [0,1,0,0,1,0|1,0,0]=3 300 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [0,1,0,0,1,0|0,0,0]=2 301 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [0,1,0,0,1,0|1,0,0]=3 302 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [0,1,0,0,1,0|1,0,0]=3 303 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [0,1,0,0,1,0|1,0,0]=3 304 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [0,1,0,0,1,0|1,0,0]=3 305 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [0,1,0,0,1,0|1,0,0]=3 306 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [0,1,0,0,1,0|1,0,0]=3 307 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [0,1,0,0,1,0|1,0,0]=3 308 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [0,1,0,0,1,0|1,0,0]=3 309 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [0,1,0,0,1,0|0,0,0]=2 310 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [0,1,0,0,1,0|1,0,0]=3 311 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [0,1,0,0,1,0|1,0,0]=3 312 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [0,1,0,0,1,0|1,0,0]=3 313 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [0,1,0,0,1,0|0,0,0]=2 314 B11R1.157 CC(C)OC1=CC(=CC=C1)Br PI-31927 [0,1,0,0,1,0|1,0,1]=4 315 B11R1.157 CC(C)OC1=CC=CC(=C1)N PI-33132 [0,1,0,0,1,0|1,0,1]=4 316 B11R1.157 CC1=NC(=CC=C1)NC(=O)C PI-46994 [0,1,0,0,1,0|2,0,0]=4 317 B11R1.157 CN(C)CC1=CC(=CC=C1)Br PI-47270 [0,1,0,0,1,0|2,0,0]=4 318 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [0,1,0,0,1,0|1,0,0]=3 319 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [0,1,0,0,1,0|1,0,0]=3 320 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [0,1,0,0,1,0|1,0,0]=3 321 B11R1.509 C1=CC=C(C=C1)OP(=O)(Cl)Cl PI-44900 [0,1,0,0,1,0|2,0,0]=4 322 B11R1.509 C1=CC=C(C=C1)OP(=O)(Cl)Cl PI-44923 [0,1,0,0,1,0|2,0,0]=4 323 B11R1.509 C1=CC=C(C=C1)OP(=O)(N)N PI-30898 [0,1,0,0,1,0|2,0,0]=4 324 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PI-28365 [0,1,0,0,1,0|1,0,0]=3 325 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 PI-13514 [0,1,0,0,1,0|2,0,0]=4 326 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 PI-12785 [0,1,0,0,1,0|1,0,0]=3 327 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 PI-20351 [0,1,0,0,1,0|2,0,0]=4 328 B11R1.509 C[Si](C)(C)OC1=CC=CC=C1 PI-46060 [0,1,0,0,1,0|1,1,0]=4 329 B11R1.509 ClS(=O)(=O)Cc1ccccc1 PI-30257 [0,1,0,0,1,0|2,0,0]=4 330 B11R1.509 NS(=O)(=O)Cc1ccccc1 PI-30638 [0,1,0,0,1,0|2,0,0]=4 331 B11R1.509 OP(=O)(Cc1ccccc1)O PI-30850 [0,1,0,0,1,0|2,0,0]=4 332 B11R1.25 C1=COC(=C1)CNC(=O)CCl PI-17331 [0,1,0,0,1,0|2,0,0]=4 333 B11R1.25 CCC(=O)SCC1=CC=CO1 PI-48511 [0,1,0,0,1,0|1,1,0]=4 334 B11R1.25 COC(=O)CCc1ccc[nH]1 PI-39032 [0,1,0,0,1,0|2,0,0]=4 335 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 PI-26318 [0,1,0,0,0,1|0,0,0]=2 336 B13R1.149 OC(=O)CCCc1cccc(c1)N PI-26975 [0,1,0,0,0,1|2,0,0]=4 337 B13R1.348 OC(=O)C[C@@H](N)Cc1ccccc1 PI-13008 [0,1,0,0,0,1|2,0,0]=4 338 B13R1.348 OC(=O)C[C@H](N)Cc1ccccc1 PI-13007 [0,1,0,0,0,1|2,0,0]=4 339 B13R1.351 C1=C(CCC(C(O)=O)N)C=CC=C1 PI-16082 [0,1,0,0,0,1|2,0,0]=4 340 B13R1.351 C1=CC=C(C=C1)CCC(=O)C(=O)O PI-32065 [0,1,0,0,0,1|2,0,0]=4 341 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N PI-14962 [0,1,0,0,0,1|2,0,0]=4 342 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N PI-18071 [0,1,0,0,0,1|2,0,0]=4 343 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O PI-20839 [0,1,0,0,0,1|2,0,0]=4 344 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O PI-26069 [0,1,0,0,0,1|2,0,0]=4 345 B13R1.351 C1=CC=C(C=C1)SCC(C(=O)O)N PI-14285 [0,1,0,0,0,1|2,0,0]=4 346 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N PI-14323 [0,1,0,0,0,1|1,0,1]=4 347 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)O PI-42713 [0,1,0,0,0,1|0,0,2]=4 348 B13R1.351 CC(C(=O)OCc1ccccc1)N PI-37613 [0,1,0,0,0,1|1,0,1]=4 349 B13R1.351 CC(C(OCC1=CC=CC=C1)=O)=C PI-40376 [0,1,0,0,0,1|1,0,0]=3 350 B13R1.351 NC(C(=O)O)CCc1ccccc1 PI-26025 [0,1,0,0,0,1|2,0,0]=4 351 B13R1.351 O=C([C@H](N)C)OCc1ccccc1 PI-18535 [0,1,0,0,0,1|1,0,1]=4 352 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)F PI-26771 [0,1,0,0,0,1|2,0,0]=4 353 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)N PI-26159 [0,1,0,0,0,1|2,0,0]=4 354 B13R1.513 C1=CC(=CC=C1OCCC(=O)O)F PI-17000 [0,1,0,0,0,1|2,0,0]=4 355 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O PI-26662 [0,1,0,0,0,1|2,0,0]=4 356 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 PI-46620 [0,1,0,0,0,1|2,0,0]=4 357 B13R1.513 OC(=O)CCCc1ccc(cc1)I PI-26518 [0,1,0,0,0,1|2,0,0]=4 358 B13R1.718 C1=CC=C(C=C1)COCC(CO)O PI-33777 [0,1,0,0,0,1|0,0,2]=4 359 B13R1.718 C=CC(=O)OCCC1=CC=CC=C1 PI-49342 [0,1,0,0,0,1|0,0,1]=3 360 B13R1.718 CCC(COCC1=CC=CC=C1)N PI-30144 [0,1,0,0,0,1|1,0,1]=4 361 B13R1.718 COC(=O)CCNC1=CC=CC=C1 PI-35472 [0,1,0,0,0,1|1,0,0]=3 362 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-36062 [0,1,0,0,0,1|1,0,0]=3 363 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-48770 [0,1,0,0,0,1|1,0,0]=3 364 B13R1.718 COC(=O)COCC1=CC=CC=C1 PI-50530 [0,1,0,0,0,1|0,0,0]=2 365 B13R1.3523 CC(O)(C)COCC1=CC=CC=C1 PI-46611 [0,1,0,0,0,1|0,0,2]=4 366 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O PI-11503 [0,2,0,0,0,0|2,0,0]=4 367 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Cl PI-30910 [0,2,0,0,0,0|1,0,1]=4 368 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O PI-12062 [0,2,0,0,0,0|1,0,1]=4 369 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O PI-11989 [0,2,0,0,0,0|1,0,0]=3 370 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br PI-50596 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.14 O=C(OC)\C=C\C1=CC=C(F)C=C1 PI-33638 [0,2,0,0,0,0|1,0,1]=4 372 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43723 [0,2,0,0,0,0|2,0,0]=4 373 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43789 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Cl PI-30270 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)F PI-15932 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43808 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43854 [0,2,0,0,0,0|2,0,0]=4 378 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 PI-40768 [0,2,0,0,0,0|1,0,1]=4 379 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F PI-38943 [0,2,0,0,0,0|1,0,1]=4 380 B13R1.132 CC1=CC=C(C=C1)C(CC(=O)O)N PI-30845 [0,2,0,0,0,0|2,0,0]=4 381 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28307 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28700 [0,2,0,0,0,0|2,0,0]=4 383 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-10516 [0,2,0,0,0,0|2,0,0]=4 384 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-28142 [0,2,0,0,0,0|2,0,0]=4 385 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-18608 [0,2,0,0,0,0|2,0,0]=4 386 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-28063 [0,2,0,0,0,0|2,0,0]=4 387 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28308 [0,2,0,0,0,0|2,0,0]=4 388 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28701 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-43383 [0,2,0,0,0,0|2,0,0]=4 390 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-45778 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O PI-42784 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43207 [0,2,0,0,0,0|2,0,0]=4 393 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43615 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Br PI-30137 [0,2,0,0,0,0|2,0,0]=4 395 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl PI-30896 [0,2,0,0,0,0|2,0,0]=4 396 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)I PI-18181 [0,2,0,0,0,0|2,0,0]=4 397 B13R1.133 NC(CC1=CC=C(C=C1)O)C(O)=O PI-25670 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)F PI-28220 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N PI-28895 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.133 Oc1ccc(cc1)C[C@H](N)C(=O)O PI-27245 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.133 Oc1ccc(cc1)C[C@H](O)C(=O)O PI-36348 [0,2,0,0,0,0|2,0,0]=4 402 B13R1.164 C1=CC(=C(C=C1Cl)Cl)CCC(=O)O PI-21079 [0,2,0,0,0,0|2,0,0]=4 403 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 PI-11882 [0,2,0,0,0,0|2,0,0]=4 404 B13R1.511 OC(=O)CCc1ccc(c(c1)F)F PI-21170 [0,2,0,0,0,0|2,0,0]=4 405 B13R1.15 COC(=O)CCc1cccc(O)c1 PI-36322 [0,2,0,0,0,0|1,0,0]=3 406 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 PI-28355 [0,2,0,0,0,0|1,0,0]=3 407 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 PI-48955 [0,2,0,0,0,0|1,0,1]=4 408 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [0,2,0,0,0,0|1,0,0]=3 409 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 PI-17945 [0,2,0,0,0,0|2,0,0]=4 410 B13R1.42 CCOC(=O)COC1=CC=CC=C1 PI-50572 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.42 NCCC(=O)OCc1ccccc1 PI-18422 [0,2,0,0,0,0|0,0,0]=2 412 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]=4 413 B13R1.135 COC(=O)C(=C)CC1=CC=CC=C1 PI-33772 [0,2,0,0,0,0|1,0,0]=3 414 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N PI-18139 [0,2,0,0,0,0|1,0,0]=3 415 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O PI-15702 [0,2,0,0,0,0|1,0,0]=3 416 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N PI-13397 [0,2,0,0,0,0|1,0,0]=3 417 B13R1.417 C1=CC=C(C=C1)COC(CO)CO PI-46925 [0,2,0,0,0,0|0,0,2]=4 418 B13R1.148 C1=CC(=CC(=C1)Br)CC(C(=O)O)N PI-43732 [0,2,0,0,0,0|2,0,0]=4 419 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43882 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43883 [0,2,0,0,0,0|2,0,0]=4 421 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14973 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14974 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-30399 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43208 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43420 [0,2,0,0,0,0|2,0,0]=4 426 B13R1.148 OC(=O)C(N)Cc1cccc(O)c1 PI-27906 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)O)N PI-33678 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.152 CC(C(=O)C)C(=O)C1=CC=CC=C1 PI-44074 [0,2,0,0,0,0|1,0,1]=4 429 B13R1.152 CC(C1=CC=CC=C1)C(C(=O)O)N PI-30943 [0,2,0,0,0,0|2,0,0]=4 430 B13R1.152 C[C@@H]([C@@H](C1=CC=CC=C1)O)C(=O)O PI-48759 [0,2,0,0,0,0|2,0,0]=4 431 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Br PI-25400 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Br PI-25557 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl PI-43385 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl PI-43881 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-14971 [0,2,0,0,0,0|2,0,0]=4 436 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-14972 [0,2,0,0,0,0|2,0,0]=4 437 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-27404 [0,2,0,0,0,0|2,0,0]=4 438 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)O PI-27375 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.202 CC1=CC=CC=C1CC(C(=O)O)N PI-43884 [0,2,0,0,0,0|2,0,0]=4 440 B13R1.202 OC(=O)[C@@H](Cc1ccccc1C)N PI-39411 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O PI-43815 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14932 [0,2,0,0,0,0|2,0,0]=4 443 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14933 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.1073 OC(=O)C(Cc1ccccc1)(N)C PI-30075 [0,2,0,0,0,0|2,0,0]=4 445 B13R1.147 C1=CC(=CC(=C1)F)C(CC(=O)O)N PI-15931 [0,2,0,0,0,0|2,0,0]=4 446 B13R1.201 C1=CC=C(C(=C1)C(CC(=O)O)N)F PI-43521 [0,2,0,0,0,0|2,0,0]=4 447 B13R1.201 C1=CC=C(C(=C1)C(CC(=O)O)N)F PI-43522 [0,2,0,0,0,0|2,0,0]=4 448 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 PI-30652 [0,2,0,0,0,0|2,0,0]=4 449 B13R1.713 C1=CC=C(C=C1)C(CC(=O)O)CN PI-42559 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.713 NCC(CC(=O)O)c1ccccc1 PI-10162 [0,2,0,0,0,0|2,0,0]=4 451 B13R1.713 O=C(O)C[C@@H](C1=CC=CC=C1)CN PI-40198 [0,2,0,0,0,0|2,0,0]=4 452 B13R1.713 O=C(O)C[C@H](C1=CC=CC=C1)CN PI-40199 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.90 COc1ccccc1CCC(=O)O PI-25761 [0,2,0,0,0,0|2,0,0]=4 454 B13R1.3787 CC(=O)C=CC1=C(C=CC=C1Cl)F PI-17047 [0,2,0,0,0,0|1,0,1]=4 455 B11R2.1 B1(C2=CC=CC=C2CO1)O PI-25687 [1,0,0,1,0,0|1,0,1]=4 456 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [1,0,0,1,0,0|2,0,0]=4 457 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [1,0,0,1,0,0|2,0,0]=4 458 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [1,0,0,1,0,0|2,0,0]=4 459 B11R2.1 C1C2=C(C(=O)O1)N=CC=C2 PI-40243 [1,0,0,1,0,0|1,0,0]=3 460 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [1,0,0,1,0,0|1,0,0]=3 461 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [1,0,0,1,0,0|2,0,0]=4 462 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [1,0,0,1,0,0|2,0,0]=4 463 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [1,0,0,1,0,0|2,0,0]=4 464 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [1,0,0,1,0,0|0,0,0]=2 465 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [1,0,0,1,0,0|1,1,0]=4 466 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [1,0,0,1,0,0|1,0,1]=4 467 B11R2.20 C1CNCC2=CC=CC=C21 PI-17083 [1,0,0,1,0,0|1,0,1]=4 468 B11R2.20 C1CNCC2=CC=CC=C21 PI-38027 [1,0,0,1,0,0|1,0,1]=4 469 B11R2.239 C1C(CO1)C2=CC=CC=C2 PI-36427 [1,0,0,1,0,0|2,0,0]=4 470 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 PI-13499 [0,0,0,1,1,0|2,0,0]=4 471 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br PI-45424 [0,0,0,1,1,0|1,0,1]=4 472 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [0,0,0,1,1,0|1,1,0]=4 473 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [0,0,0,1,1,0|0,0,0]=2 474 B11R2.10 C1C(CC2=CC=CC=C21)O PI-11612 [0,0,0,1,1,0|0,0,2]=4 475 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [0,0,0,1,1,0|1,0,1]=4 476 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [0,0,0,1,1,0|1,0,0]=3 477 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [0,0,0,1,1,0|1,0,1]=4 478 B11R2.10 CC1=CC2=CC=CC=C2S1 PI-29081 [0,0,0,1,1,0|0,1,1]=4 479 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [0,0,0,1,1,0|2,0,0]=4 480 B11R2.10 CC1=NC2=CC=CC=C2O1 PI-11866 [0,0,0,1,1,0|1,0,0]=3 481 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [0,0,0,1,1,0|0,0,2]=4 482 B11R2.10 CC1NC2=C(C=CC=C2)C1 PI-11338 [0,0,0,1,1,0|1,0,1]=4 483 B11R2.10 Clc1nc2ccccc2o1 PI-33937 [0,0,0,1,1,0|2,0,0]=4 484 B11R2.10 NC1CC2=C(C=CC=C2)C1 PI-37165 [0,0,0,1,1,0|1,0,1]=4 485 B11R2.10 Nc1nc2ccccc2o1 PI-17283 [0,0,0,1,1,0|2,0,0]=4 486 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [0,0,0,1,1,0|1,0,0]=3 487 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [0,0,0,1,1,0|0,0,0]=2 488 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [0,0,0,1,1,0|1,0,0]=3 489 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [0,0,0,1,1,0|1,1,0]=4 490 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 PI-10343 [0,0,0,1,0,1|1,0,0]=3 491 B13R2.10 C1C(NC(=S)O1)C2=CC=CC=C2 PI-10344 [0,0,0,1,0,1|1,1,0]=4 492 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 PI-30093 [0,0,0,1,0,1|1,0,1]=4 493 B13R2.10 O=C1CCC(O1)c2ccccc2 PI-18042 [0,0,0,1,0,1|2,0,0]=4 494 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 PI-11224 [0,0,0,1,0,1|1,0,0]=3 495 B13R2.10 S=C1OC[C@H](N1)c2ccccc2 PI-16645 [0,0,0,1,0,1|1,1,0]=4 496 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 PI-46663 [0,0,0,1,0,1|1,0,0]=3 497 B13R2.72 C1C(C2=CC=CC=C2N1)C(=O)O PI-10081 [0,0,0,1,0,1|2,0,0]=4 498 B13R2.72 CC(=O)C1=CSC2=CC=CC=C21 PI-26355 [0,0,0,1,0,1|1,0,1]=4 499 B13R2.72 CC(=O)N1CCc2c1cccc2 PI-11076 [0,0,0,1,0,1|1,0,0]=3 500 B13R2.72 CC(=O)c1c[nH]c2c1cccc2 PI-10234 [0,0,0,1,0,1|1,0,1]=4 501 B13R2.72 CC(=O)c1csc2c1cccc2 PI-32064 [0,0,0,1,0,1|1,0,1]=4 502 B13R2.72 CC(=O)n1ccc2ccccc12 PI-11075 [0,0,0,1,0,1|1,0,1]=4 503 B13R2.72 CC(C1=NNC2=C1C=CC=C2)=O PI-46811 [0,0,0,1,0,1|2,0,0]=4 504 B13R2.163 O=C1CCCc2c(N1)cccc2 PI-22730 [0,0,0,1,0,1|2,0,0]=4 505 B13R2.423 C1C(C1C(=O)Cl)C2=CC=CC=C2 PI-17992 [0,0,0,1,0,1|2,0,0]=4 506 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccccc2 PI-17993 [0,0,0,1,0,1|2,0,0]=4 507 B13R2.2382 C1C(O1)COCC2=CC=CC=C2 PI-10361 [0,0,0,1,0,1|0,0,2]=4 508 B13R2.2382 O(Cc1ccccc1)CC2OC2 PI-35223 [0,0,0,1,0,1|0,0,2]=4 509 B13R2.2382 c1ccc(COC[C@H]2OC2)cc1 PI-16665 [0,0,0,1,0,1|0,0,2]=4 510 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)O PI-10242 [0,1,0,1,0,0|2,0,0]=4 511 B13R2.32 CC1C(=O)CCC2=CC=CC=C12 PI-17164 [0,1,0,1,0,0|1,0,0]=3 512 B13R2.32 CC1CCC2=CC=CC=C2C1=O PI-17355 [0,1,0,1,0,0|1,0,1]=4 513 B13R2.33 O=C1CCC2=CC=CC=C2CC1 PI-41940 [0,1,0,1,0,0|1,0,0]=3 514 B13R2.2383 C1(OCC2=CC=CC=C2)CNC1 PI-40825 [0,1,0,1,0,0|1,0,1]=4 515 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC PI-40939 [0,1,0,1,0,0|1,0,0]=3 516 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O PI-12890 [0,1,0,1,0,0|2,0,0]=4 517 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O PI-22729 [0,1,0,1,0,0|2,0,0]=4 518 B13R2.435 C1C(OC2=CC=CC=C21)C(=O)O PI-19265 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 PI-18361 [0,1,0,1,0,0|1,0,1]=4 520 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 PI-11776 [0,1,0,1,0,0|2,0,0]=4 521 B13R2.435 CC(=O)c1cc2c(o1)cccc2 PI-29182 [0,1,0,1,0,0|1,0,1]=4 522 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C PI-46721 [0,1,0,1,0,0|1,0,1]=4 523 B13R2.435 OC(=O)[C@@H]1Cc2c(N1)cccc2 PI-10816 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.328 C1C2=CC=CC=C2C(=O)NC1=O PI-40295 [0,1,0,1,0,0|1,0,1]=4 525 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 PI-26707 [0,1,0,1,0,0|1,0,1]=4 526 B13R2.328 O=C1OC(=O)c2c(C1)cccc2 PI-16185 [0,1,0,1,0,0|0,0,1]=3 527 B13R2.12159 C1=CC=C2C(=C1)C(OS2(=O)=O)Cl PI-19371 [0,1,0,1,0,0|2,0,0]=4 528 B13R2.5179 C1CC(=O)NC2=C1C(=CC=C2)O PI-42918 [0,1,0,1,0,0|2,0,0]=4 529 B13R2.3683 C1CC2=C(CC1=O)C=CC(=C2)F PI-17758 [0,1,0,1,0,0|1,0,0]=3 530 B13R2.3683 O=C1CCc2c(N1)ccc(c2)N PI-34829 [0,1,0,1,0,0|2,0,0]=4 531 B13R2.3683 O=C1CCc2c(N1)ccc(c2)O PI-22828 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.3683 O=C1CCc2cc(Br)ccc2C1 PI-17751 [0,1,0,1,0,0|1,0,0]=3 533 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [0,0,0,0,2,0|2,0,0]=4 534 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [0,0,0,0,2,0|2,0,0]=4 535 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [0,0,0,0,2,0|1,0,0]=3 536 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [0,0,0,0,2,0|2,0,0]=4 537 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,0,0,0,2,0|2,0,0]=4 538 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [0,0,0,0,2,0|2,0,0]=4 539 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [0,0,0,0,2,0|2,0,0]=4 540 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,0,0,0,2,0|1,0,0]=3 541 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [0,0,0,0,2,0|2,0,0]=4 542 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [0,0,0,0,2,0|2,0,0]=4 543 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [0,0,0,0,2,0|2,0,0]=4 544 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,0,0,0,2,0|1,0,0]=3 545 B9R1.6 CC(=O)c1ccncc1 PI-38297 [0,0,0,0,2,0|1,0,0]=3 546 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [0,0,0,0,2,0|1,0,1]=4 547 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [0,0,0,0,2,0|2,0,0]=4 548 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [0,0,0,0,2,0|0,0,2]=4 549 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [0,0,0,0,2,0|1,0,1]=4 550 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [0,0,0,0,2,0|1,0,1]=4 551 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [0,0,0,0,2,0|0,0,2]=4 552 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [0,0,0,0,2,0|1,1,0]=4 553 B9R1.6 NC(=N)c1ccccc1 PI-30200 [0,0,0,0,2,0|2,0,0]=4 554 B9R1.6 NC(=O)c1cccnc1 PI-12870 [0,0,0,0,2,0|2,0,0]=4 555 B9R1.6 NC(=S)c1ccccc1 PI-29356 [0,0,0,0,2,0|1,1,0]=4 556 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,0,0,0,2,0|2,0,0]=4 557 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [0,0,0,0,2,0|2,0,0]=4 558 B9R1.13 C1=COC=C1CC(=O)O PI-36295 [0,0,0,0,2,0|2,0,0]=4 559 B9R1.13 C1=CSC(=C1)CC(=O)Cl PI-11881 [0,0,0,0,2,0|2,0,0]=4 560 B9R1.13 CC(=O)NC1=CC=CS1 PI-12512 [0,0,0,0,2,0|2,0,0]=4 561 B9R1.13 OC(=O)CC1=CC=C[CH-]1 PI-40764 [0,0,0,0,2,0|1,0,1]=4 562 B9R1.13 OC(=O)Cc1cccs1 PI-11148 [0,0,0,0,2,0|2,0,0]=4 563 B9R1.13 OC(=O)Cc1cscc1 PI-15240 [0,0,0,0,2,0|2,0,0]=4 564 B13R1.337 C1=CC=C(C=C1)CCCCC(=O)O PI-44029 [0,0,0,0,0,2|2,0,0]=4 565 B13R1.337 C1=CC=C(C=C1)CCCOC(=O)N PI-15744 [0,0,0,0,0,2|1,0,0]=3 566 B13R1.337 C1=CC=C(C=C1)OCCOC(=O)Cl PI-42238 [0,0,0,0,0,2|1,0,0]=3