0 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 C1=CC=C(C=C1)NC(=S)NN PI-29671 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.17 N#C\C=C\c1ccccc1 PI-12934 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [1,0,0,0,0,0|0,0,2]=3 13 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,0,0,0,0,0|0,0,1]=2 21 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.18 CC(=O)NC1=NC=CC=N1 PI-44088 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [1,0,0,0,0,0|2,1,0]=4 28 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [1,0,0,0,0,0|2,0,1]=4 31 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 PI-11500 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.34 O\N=C(\C(=O)c1ccccc1)/C PI-38229 [0,1,0,0,0,0|1,0,1]=3 33 B12R1.43 C1=CC=C(C=C1)C=C(C(=O)O)F PI-25464 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [0,1,0,0,0,0|1,0,2]=4 35 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [0,1,0,0,0,0|1,0,2]=4 36 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [0,1,0,0,0,0|1,0,2]=4 37 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [0,1,0,0,0,0|1,0,2]=4 38 B12R1.43 C=C(C(=O)O)Cc1ccccc1 PI-12179 [0,1,0,0,0,0|0,0,2]=3 39 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [0,1,0,0,0,0|0,0,0]=1 40 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [0,1,0,0,0,0|0,0,0]=1 41 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [0,1,0,0,0,0|1,0,1]=3 43 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [0,1,0,0,0,0|1,0,2]=4 44 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [0,1,0,0,0,0|1,0,1]=3 45 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [0,1,0,0,0,0|1,0,2]=4 46 B12R1.49 FC1=CC=C(CC(=O)C=C)C=C1 PI-36344 [0,1,0,0,0,0|2,0,1]=4 47 B12R2.18 Brc1c(Br)sc2c1cccc2 PI-40411 [0,0,0,1,0,0|3,0,0]=4 48 B12R2.18 C1C(C(=O)C2=CC=CC=C21)Br PI-30227 [0,0,0,1,0,0|1,0,2]=4 49 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [0,0,0,1,0,0|2,0,0]=3 50 B12R2.18 Cn1c(C)cc2c1cccc2 PI-11083 [0,0,0,1,0,0|2,0,0]=3 51 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [0,0,0,1,0,0|2,0,0]=3 52 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 PI-41127 [0,0,0,1,0,0|3,0,0]=4 53 B12R2.24 Brc1ccc2c(c1)ccnc2 PI-17753 [0,0,0,1,0,0|3,0,0]=4 54 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [0,0,0,1,0,0|2,0,0]=3 55 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O PI-17780 [0,0,0,1,0,0|3,0,0]=4 56 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 PI-45912 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 PI-29666 [0,0,0,1,0,0|3,0,0]=4 58 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 PI-11112 [0,0,0,1,0,0|3,0,0]=4 59 B12R2.24 C1=CC2=C(C=CN=C2)C=C1N PI-48190 [0,0,0,1,0,0|3,0,0]=4 60 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [0,0,0,1,0,0|3,0,0]=4 61 B12R2.24 C1=CC2=NC=C(C=C2N=C1)I PI-45476 [0,0,0,1,0,0|3,0,0]=4 62 B12R2.24 C1=CC2=NC=C(C=C2N=C1)N PI-45475 [0,0,0,1,0,0|3,0,0]=4 63 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br PI-16426 [0,0,0,1,0,0|2,0,0]=3 64 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [0,0,0,1,0,0|2,0,0]=3 65 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br PI-29304 [0,0,0,1,0,0|3,0,0]=4 66 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [0,0,0,1,0,0|3,0,0]=4 67 B12R2.24 C1=CC=C2C(=C1)C=CC(=S)N2 PI-29414 [0,0,0,1,0,0|3,0,0]=4 68 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Cl PI-49348 [0,0,0,1,0,0|3,0,0]=4 69 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [0,0,0,1,0,0|3,0,0]=4 70 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [0,0,0,1,0,0|2,0,0]=3 71 B12R2.24 C1=CC=C2C=[N+](C=CC2=C1)[O-] PI-17902 [0,0,0,1,0,0|3,0,0]=4 72 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [0,0,0,1,0,0|1,0,0]=2 73 B12R2.24 CC1=CC2=NC=CN=C2C=C1 PI-33134 [0,0,0,1,0,0|3,0,0]=4 74 B12R2.24 CC1=CC=C2N=CC=CC2=N1 PI-40595 [0,0,0,1,0,0|3,0,0]=4 75 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [0,0,0,1,0,0|2,0,0]=3 76 B12R2.24 Clc1ccc2ccccc2n1 PI-16418 [0,0,0,1,0,0|3,0,0]=4 77 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [0,0,0,1,0,0|2,0,0]=3 78 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [0,0,0,1,0,0|2,0,0]=3 79 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [0,0,0,1,0,0|2,0,0]=3 80 B12R2.24 Nc1ccc2c(c1)cccn2 PI-29716 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [0,0,0,1,0,0|2,0,0]=3 82 B12R2.24 Nc1ncc2ccccc2c1 PI-14103 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 Oc1ccc2c(c1)cccn2 PI-11465 [0,0,0,1,0,0|3,0,0]=4 84 B12R2.24 Oc1ccc2c(c1)nccc2 PI-12046 [0,0,0,1,0,0|3,0,0]=4 85 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.24 Oc1ccc2cnccc2c1 PI-34184 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [0,0,0,1,0,0|2,0,0]=3 88 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO PI-45001 [0,0,0,1,0,0|1,0,2]=4 89 B12R2.32 C1=CC=C2C(=C1)C=C(O2)C=O PI-16469 [0,0,0,1,0,0|1,0,0]=2 90 B12R2.32 C1=CC=C2C(=C1)C=C(S2)C=O PI-29507 [0,0,0,1,0,0|1,0,0]=2 91 B12R2.32 C1=CC=C2C(=C1)C=C(S2)CO PI-20808 [0,0,0,1,0,0|1,0,2]=4 92 B12R2.32 C1=CC=C2C(=C1)N=C(S2)C=O PI-14166 [0,0,0,1,0,0|2,0,0]=3 93 B12R2.32 C1C(=NO)CC2=CC=CC=C21 PI-13702 [0,0,0,1,0,0|1,0,2]=4 94 B12R2.32 CCC1=CC2=CC=CC=C2C1 PI-29198 [0,0,0,1,0,0|1,0,1]=3 95 B12R2.32 CCC1=CC2=CC=CC=C2O1 PI-17342 [0,0,0,1,0,0|2,0,1]=4 96 B12R2.32 N#CC=1NC2=C(C1)C=CC=C2 PI-46707 [0,0,0,1,0,0|2,0,1]=4 97 B12R2.32 NCc1cc2c(s1)cccc2 PI-38175 [0,0,0,1,0,0|2,0,1]=4 98 B12R2.32 O=CC1=CN2C=CC=CC2=N1 PI-41423 [0,0,0,1,0,0|2,0,0]=3 99 B12R2.32 O=Cc1cc2ccccc2[nH]1 PI-31918 [0,0,0,1,0,0|1,0,0]=2 100 B12R2.32 O=Cc1nc2c([nH]1)cccc2 PI-14803 [0,0,0,1,0,0|2,0,0]=3 101 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [0,0,0,0,1,0|2,0,1]=4 102 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [0,0,0,0,1,0|1,0,0]=2 103 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [0,0,0,0,1,0|2,0,1]=4 104 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [0,0,0,0,1,0|1,0,1]=3 105 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [0,0,0,0,1,0|2,0,1]=4 106 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [0,0,0,0,1,0|1,0,2]=4 107 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [0,0,0,0,1,0|2,0,1]=4 108 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,0,0,0,1,0|3,0,0]=4 109 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,0,0,0,1,0|3,0,0]=4 110 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [0,0,0,0,1,0|1,0,2]=4 111 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,0,0,0,1,0|2,0,1]=4 112 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,0,0,0,1,0|1,0,2]=4 113 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [0,0,0,0,1,0|2,0,1]=4 114 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [0,0,0,0,1,0|2,0,1]=4 115 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [0,0,0,0,0,1|2,0,1]=4 116 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [2,0,0,0,0,0|1,0,0]=3 117 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [2,0,0,0,0,0|0,0,1]=3 118 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [2,0,0,0,0,0|0,0,2]=4 119 B9R1.8 COCC1=CC=CC=C1 PI-19695 [2,0,0,0,0,0|1,0,1]=4 120 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [2,0,0,0,0,0|0,0,0]=2 121 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [2,0,0,0,0,0|0,0,0]=2 122 B11R1.1 C1=CC(=CC=C1C=CC#N)F PI-23561 [1,1,0,0,0,0|1,0,1]=4 123 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [1,1,0,0,0,0|0,0,2]=4 124 B11R1.1 C1=CC(=CC=C1\C=C\C=O)Br PI-46501 [1,1,0,0,0,0|0,0,0]=2 125 B11R1.1 C1=CC(=CC=C1\C=C\C=O)F PI-46524 [1,1,0,0,0,0|0,0,0]=2 126 B11R1.1 O=C\C=C/c1ccc(F)cc1 PI-32827 [1,1,0,0,0,0|0,0,0]=2 127 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=O PI-50644 [1,1,0,0,0,0|1,0,1]=4 128 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.16 O\N=C\C(=O)c1ccccc1 PI-29665 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)Br PI-46499 [1,1,0,0,0,0|0,0,0]=2 131 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)F PI-46537 [1,1,0,0,0,0|0,0,0]=2 132 B11R1.24 C1=CC(=CC(=C1)Br)\C=C\C=O PI-46500 [1,1,0,0,0,0|0,0,0]=2 133 B11R1.24 C1=CC(=CC(=C1)Cl)\C=C\C=O PI-46546 [1,1,0,0,0,0|0,0,0]=2 134 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 PI-46535 [1,1,0,0,0,0|0,0,0]=2 135 B11R1.91 C1=CC(=CN=C1)C=C[N+](=O)[O-] PI-27470 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [1,1,0,0,0,0|0,0,0]=2 137 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [1,1,0,0,0,0|0,0,2]=4 138 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [1,1,0,0,0,0|1,0,1]=4 139 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [1,1,0,0,0,0|1,0,1]=4 140 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [1,1,0,0,0,0|1,0,1]=4 141 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [1,1,0,0,0,0|0,0,0]=2 143 B11R1.91 OB(\C=C\c1ccccc1)O PI-25014 [1,1,0,0,0,0|1,0,1]=4 144 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [1,1,0,0,0,0|0,0,2]=4 145 B11R1.91 OC(=O)\C=C\c1ccccn1 PI-28790 [1,1,0,0,0,0|1,0,0]=3 146 B11R1.91 OC(=O)\C=C\c1cccnc1 PI-28055 [1,1,0,0,0,0|1,0,0]=3 147 B11R1.91 OC(=O)\C=C\c1ccncc1 PI-31341 [1,1,0,0,0,0|1,0,0]=3 148 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.91 [O-][N+](=O)\C=C\c1ccccc1 PI-36903 [1,1,0,0,0,0|1,0,0]=3 150 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [1,1,0,0,0,0|0,0,1]=3 156 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [1,1,0,0,0,0|0,0,1]=3 158 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [1,1,0,0,0,0|1,0,0]=3 159 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [1,1,0,0,0,0|1,0,0]=3 160 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [1,1,0,0,0,0|1,0,0]=3 162 B11R1.20 CC(=O)NC1=NC=C(C=C1)N PI-14240 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [1,1,0,0,0,0|1,0,0]=3 164 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [1,1,0,0,0,0|1,0,0]=3 165 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [1,1,0,0,0,0|1,0,0]=3 166 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [1,1,0,0,0,0|1,0,0]=3 167 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [1,1,0,0,0,0|1,0,0]=3 168 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [1,1,0,0,0,0|1,0,1]=4 172 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [1,1,0,0,0,0|1,0,1]=4 176 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [1,1,0,0,0,0|1,0,1]=4 177 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl PI-12863 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [1,1,0,0,0,0|0,0,0]=2 187 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [1,1,0,0,0,0|1,0,1]=4 189 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [1,1,0,0,0,0|0,0,1]=3 193 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [1,1,0,0,0,0|1,0,0]=3 196 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [1,1,0,0,0,0|0,0,1]=3 207 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.157 CC1=NC(=CC=C1)NC(=O)C PI-46994 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PI-28365 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 PI-13514 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 PI-12785 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.7 C[Si](C)(C=C)C1=CC=CC=C1 PI-46042 [0,1,0,0,1,0|1,1,0]=4 219 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br PI-41036 [0,1,0,0,1,0|1,0,0]=3 220 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [0,1,0,0,1,0|1,0,0]=3 221 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [0,1,0,0,1,0|1,0,0]=3 222 B11R1.222 CC(=NO)C1=CC=CC=C1O PI-29083 [0,1,0,0,1,0|1,0,1]=4 223 B13R1.351 C1=CC=C(C=C1)CCC(=O)C(=O)O PI-32065 [0,1,0,0,0,1|1,0,1]=4 224 B13R1.348 C1=CC=C(C=C1)OC(=O)CC(=O)O PI-18496 [0,2,0,0,0,0|2,0,0]=4 225 B13R1.348 CC(=CC1=CC=CC=C1)CC(=O)N PI-17442 [0,2,0,0,0,0|0,0,0]=2 226 B13R1.152 CC(C(=O)C)C(=O)C1=CC=CC=C1 PI-44074 [0,2,0,0,0,0|0,0,1]=3 227 B13R1.152 C[C@@H]([C@@H](C1=CC=CC=C1)O)C(=O)O PI-48759 [0,2,0,0,0,0|0,0,2]=4 228 B13R1.133 C1=CC(=CC=C1N)NC(=O)C(=O)O PI-30042 [0,2,0,0,0,0|2,0,0]=4 229 B13R1.133 CC(=CC1=CC=C(C=C1)F)C(=O)O PI-36345 [0,2,0,0,0,0|0,0,0]=2 230 B13R1.133 Clc1ccc(cc1)OC(C)C(=O)O PI-32596 [0,2,0,0,0,0|1,0,1]=4 231 B13R1.133 Oc1ccc(cc1)O[C@H](C)C(=O)O PI-12991 [0,2,0,0,0,0|1,0,1]=4 232 B13R1.418 C1=CC(=CN=C1)C=C(C#N)C(=O)O PI-20314 [0,2,0,0,0,0|1,0,1]=4 233 B13R1.418 CCC(C(=O)O)OC1=CC=CC=C1 PI-32600 [0,2,0,0,0,0|1,0,1]=4 234 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O PI-43815 [0,2,0,0,0,0|0,0,2]=4 235 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14932 [0,2,0,0,0,0|0,0,2]=4 236 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14933 [0,2,0,0,0,0|0,0,2]=4 237 B13R1.1073 OC(=O)C(Cc1ccccc1)(N)C PI-30075 [0,2,0,0,0,0|0,0,2]=4 238 B11R1.192 C=CCc1ccc(F)c(C)c1 PI-23775 [0,0,1,1,0,0|1,0,1]=4 239 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [1,0,0,1,0,0|2,0,0]=4 240 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [1,0,0,1,0,0|2,0,0]=4 241 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [1,0,0,1,0,0|2,0,0]=4 242 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [1,0,0,1,0,0|1,0,1]=4 243 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [1,0,0,1,0,0|2,0,0]=4 244 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [1,0,0,1,0,0|1,0,0]=3 245 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [1,0,0,1,0,0|1,0,1]=4 246 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [1,0,0,1,0,0|1,0,1]=4 247 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [1,0,0,1,0,0|0,0,2]=4 248 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [1,0,0,1,0,0|2,0,0]=4 249 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [1,0,0,1,0,0|2,0,0]=4 250 B11R2.1 Cn1ccc2ccccc12 PI-11080 [1,0,0,1,0,0|2,0,0]=4 251 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [1,0,0,1,0,0|1,0,1]=4 252 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [1,0,0,1,0,0|1,0,1]=4 253 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [1,0,0,1,0,0|2,0,0]=4 254 B11R2.20 C12=CC=CN=C1C=CC=C2 PI-47013 [1,0,0,1,0,0|1,0,0]=3 255 B11R2.20 C1=CC2=C(C=CN=C2)N=C1 PI-13294 [1,0,0,1,0,0|2,0,0]=4 256 B11R2.20 C1=CC2=C(N=C1)N=CC=C2 PI-18404 [1,0,0,1,0,0|2,0,0]=4 257 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 PI-29663 [1,0,0,1,0,0|1,0,0]=3 258 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [1,0,0,1,0,0|1,0,1]=4 259 B11R2.20 c1cnc2c(c1)nccc2 PI-18405 [1,0,0,1,0,0|2,0,0]=4 260 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br PI-45424 [1,0,0,1,0,0|1,0,1]=4 261 B11R2.10 C1=CC=C2C(=C1)C=C(S2)Br PI-40410 [1,0,0,1,0,0|1,1,0]=4 262 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [1,0,0,1,0,0|0,0,1]=3 263 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [1,0,0,1,0,0|1,0,0]=3 264 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [1,0,0,1,0,0|0,0,1]=3 265 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [1,0,0,1,0,0|1,0,0]=3 266 B11R2.10 CC1=CC2=CC=CC=C2S1 PI-29081 [1,0,0,1,0,0|0,1,0]=3 267 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [1,0,0,1,0,0|2,0,0]=4 268 B11R2.10 CC1=NC2=CC=CC=C2O1 PI-11866 [1,0,0,1,0,0|1,0,1]=4 269 B11R2.10 Ic1cc2c(s1)cccc2 PI-38228 [1,0,0,1,0,0|1,1,0]=4 270 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [1,0,0,1,0,0|1,0,0]=3 271 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [1,0,0,1,0,0|1,0,0]=3 272 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [1,0,0,1,0,0|2,0,0]=4 273 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [1,0,0,1,0,0|2,0,0]=4 274 B11R2.36 C1=C2C(=CC=C1C)[NH]C=C2 PI-10262 [0,0,0,1,1,0|2,0,0]=4 275 B11R2.36 CC1=CC=C2SC=CC2=C1 PI-14225 [0,0,0,1,1,0|2,0,0]=4 276 B11R2.36 Cc1ccc2c(c1)[nH]cc2 PI-16265 [0,0,0,1,1,0|2,0,0]=4 277 B13R2.10 Brc1ccc(s1)c2ccccc2 PI-29441 [0,0,0,1,0,1|2,0,0]=4 278 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 PI-30093 [0,0,0,1,0,1|2,0,0]=4 279 B13R2.10 Cc1ccn(n1)c2ccccc2 PI-13607 [0,0,0,1,0,1|2,0,0]=4 280 B13R2.32 Brc1ccc2c(c1O)cccc2 PI-39182 [0,0,0,1,0,1|1,0,1]=4 281 B13R2.32 C1=CC=C2C(=C1)C(=C(C=N2)O)Cl PI-44804 [0,0,0,1,0,1|2,0,0]=4 282 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-18432 [0,0,0,1,0,1|2,0,0]=4 283 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-25084 [0,0,0,1,0,1|2,0,0]=4 284 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)F PI-18694 [0,0,0,1,0,1|1,0,1]=4 285 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)N PI-18543 [0,0,0,1,0,1|1,0,1]=4 286 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)O PI-25690 [0,0,0,1,0,1|1,0,1]=4 287 B13R2.32 C1=CC=C2C(=C1)C=CC(=O)C2=O PI-25638 [0,0,0,1,0,1|1,0,0]=3 288 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44810 [0,0,0,1,0,1|1,0,1]=4 289 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44835 [0,0,0,1,0,1|1,0,1]=4 290 B13R2.32 C1=CNC2=CC=C(C(=O)C2=C1)Cl PI-44805 [0,0,0,1,0,1|2,0,0]=4 291 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)Br PI-11689 [0,0,0,1,0,1|1,0,0]=3 292 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)O PI-18875 [0,0,0,1,0,1|0,0,1]=3 293 B13R2.32 CC1=[N+](C2=CC=CC=C2C=C1)[O-] PI-42564 [0,0,0,1,0,1|1,0,1]=4 294 B13R2.32 CC1CCC2=CC=CC=C2C1=O PI-17355 [0,0,0,1,0,1|0,0,2]=4 295 B13R2.32 Cc1ccc2ccccc2c1C PI-25689 [0,0,0,1,0,1|1,0,0]=3 296 B13R2.32 Cc1ccc2ccccc2c1N PI-18358 [0,0,0,1,0,1|1,0,0]=3 297 B13R2.32 OC1=C(Br)C=CC2=C1C=CC=C2 PI-39181 [0,0,0,1,0,1|1,0,1]=4 298 B13R2.32 Oc1ccc2c(c1Br)cccc2 PI-25688 [0,0,0,1,0,1|2,0,0]=4 299 B13R2.57 C1=CC=C2C(=C1)C=C(C=N2)C=O PI-29125 [0,0,0,1,0,1|0,0,1]=3 300 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 PI-25858 [0,0,0,1,0,1|1,0,1]=4 301 B13R2.57 O=Cc1ccc2c(c1)cccc2 PI-11868 [0,0,0,1,0,1|0,0,1]=3 302 B13R2.57 O=Cc1ccc2c(n1)cccc2 PI-11880 [0,0,0,1,0,1|1,0,0]=3 303 B13R2.57 O=Cc1ccc2ncccc2c1 PI-32941 [0,0,0,1,0,1|1,0,1]=4 304 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 PI-46663 [0,1,0,1,0,0|1,0,1]=4 305 B13R2.135 CC1=C(C2=CC=CC=C2N1)C=O PI-10994 [0,1,0,1,0,0|1,0,0]=3 306 B13R2.328 C1=CC=C2C(=C1)C(=O)C=C(N2)N PI-29594 [0,1,0,1,0,0|2,0,0]=4 307 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=S)N2 PI-29128 [0,1,0,1,0,0|2,0,0]=4 308 B13R2.328 C1C2=CC=CC=C2C(=O)NC1=O PI-40295 [0,1,0,1,0,0|1,0,1]=4 309 B13R2.328 CC1=CC(=NC2=CC=CC=C12)C PI-11755 [0,1,0,1,0,0|2,0,0]=4 310 B13R2.328 CC1=CC2=CC=CC=C2[N+](=C1)[O-] PI-29281 [0,1,0,1,0,0|0,0,1]=3 311 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 PI-26707 [0,1,0,1,0,0|1,0,0]=3 312 B13R2.328 Cc1cc(N)c2ccccc2n1 PI-17561 [0,1,0,1,0,0|2,0,0]=4 313 B13R2.328 Cc1cc(O)c2c(n1)cccc2 PI-29750 [0,1,0,1,0,0|1,0,1]=4 314 B13R2.328 Cc1cc2ccccc2c(c1)C PI-25697 [0,1,0,1,0,0|1,0,0]=3 315 B13R2.328 Clc1cc2ccccc2c(n1)Cl PI-31690 [0,1,0,1,0,0|2,0,0]=4 316 B13R2.328 Nc1cc2ccccc2c(Br)n1 PI-29111 [0,1,0,1,0,0|2,0,0]=4 317 B13R2.328 O=C1OC(=O)c2c(C1)cccc2 PI-16185 [0,1,0,1,0,0|1,0,1]=4 318 B13R2.328 Oc1cc2ccccc2c(c1)O PI-25115 [0,1,0,1,0,0|1,0,1]=4 319 B13R2.45 CC1=C(SC2=CC=CC=C12)C=O PI-29352 [0,1,0,1,0,0|1,0,0]=3 320 B13R2.3085 CN1C(=O)c2c(C1=O)cccc2 PI-24486 [0,1,0,1,0,0|1,0,0]=3 321 B13R2.3085 NN1C(=O)c2c(C1=O)cccc2 PI-30246 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.3085 O=C1N(Br)C(C2=C1C=CC=C2)=O PI-30370 [0,1,0,1,0,0|2,0,0]=4 323 B13R2.3085 O=C1c2ccccc2N(C1=O)C PI-30280 [0,1,0,1,0,0|2,0,0]=4 324 B13R2.369 C1=CC=C2C(=C1)C=C(C(=N2)Br)Br PI-50065 [0,1,0,1,0,0|2,0,0]=4 325 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)Br)Br PI-18146 [0,1,0,1,0,0|2,0,0]=4 326 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O PI-25656 [0,1,0,1,0,0|1,0,1]=4 327 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl PI-29715 [0,1,0,1,0,0|1,0,0]=3 328 B13R2.369 Cc1cc2ccccc2cc1C PI-25704 [0,1,0,1,0,0|1,0,0]=3 329 B13R2.369 NC1=C(C)N=C2C=CC=CC2=C1 PI-46688 [0,1,0,1,0,0|2,0,0]=4 330 B13R2.369 Nc1cc2ccccc2cc1N PI-25833 [0,1,0,1,0,0|2,0,0]=4 331 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [0,1,0,1,0,0|1,0,0]=3 332 B13R2.369 Oc1cc2ccccc2cc1O PI-32469 [0,1,0,1,0,0|1,0,1]=4 333 B13R2.423 C1C(C1C(=O)Cl)C2=CC=CC=C2 PI-17992 [0,1,0,1,0,0|0,0,2]=4 334 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccccc2 PI-17993 [0,1,0,1,0,0|0,0,2]=4 335 B13R2.435 C1=C2C(=CC=C1)[NH]C(=N2)C(=O)O PI-35441 [0,1,0,1,0,0|2,0,0]=4 336 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O PI-22728 [0,1,0,1,0,0|1,0,0]=3 337 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)Cl PI-14800 [0,1,0,1,0,0|1,0,0]=3 338 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)O PI-30651 [0,1,0,1,0,0|1,0,0]=3 339 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)N PI-26819 [0,1,0,1,0,0|1,0,0]=3 340 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)O PI-14824 [0,1,0,1,0,0|1,0,0]=3 341 B13R2.435 C1=CC=C2C(=C1)N=C(O2)C(=O)[O-] PI-48150 [0,1,0,1,0,0|2,0,0]=4 342 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O PI-12890 [0,1,0,1,0,0|1,0,1]=4 343 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O PI-22729 [0,1,0,1,0,0|1,0,1]=4 344 B13R2.435 C1C(OC2=CC=CC=C21)C(=O)O PI-19265 [0,1,0,1,0,0|1,0,1]=4 345 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 PI-18361 [0,1,0,1,0,0|1,0,0]=3 346 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 PI-11776 [0,1,0,1,0,0|2,0,0]=4 347 B13R2.435 CC(=O)c1cc2c(o1)cccc2 PI-29182 [0,1,0,1,0,0|1,0,0]=3 348 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C PI-46721 [0,1,0,1,0,0|1,0,0]=3 349 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2S1 PI-26615 [0,1,0,1,0,0|1,0,0]=3 350 B13R2.435 OC(=O)[C@@H]1Cc2c(N1)cccc2 PI-10816 [0,1,0,1,0,0|1,0,1]=4 351 B13R2.43 C1=CC2=C(C=C1Br)NC(=C2)C=O PI-50071 [0,1,0,1,0,0|1,0,0]=3 352 B13R2.3028 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 PI-20345 [0,1,0,1,0,0|2,0,0]=4 353 B13R2.3028 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 PI-11529 [0,1,0,1,0,0|2,0,0]=4 354 B13R2.3028 CC1CC2=CC=C(F)C=C2C1=O PI-40267 [0,1,0,1,0,0|0,0,2]=4 355 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 PI-11530 [0,1,0,1,0,0|2,0,0]=4 356 B13R2.3028 Fc1ccc2c(c1)C(=O)C(=O)N2 PI-22671 [0,1,0,1,0,0|2,0,0]=4 357 B13R2.3028 Ic1ccc2c(c1)C(=O)C(=O)N2 PI-18328 [0,1,0,1,0,0|2,0,0]=4 358 B13R2.3028 O=C1C(C)CC2=C1C=C(Br)C=C2 PI-40265 [0,1,0,1,0,0|0,0,2]=4 359 B13R2.3683 BrC1=CC2=CC=C(Br)C=C2C=C1 PI-37059 [0,1,0,1,0,0|2,0,0]=4 360 B13R2.3683 C1=CC2=C(C=CC(=C2)Cl)C=C1O PI-36575 [0,1,0,1,0,0|2,0,0]=4 361 B13R2.3683 CC1=CC2=C(C=C1)N=C(C=C2)Br PI-35456 [0,1,0,1,0,0|2,0,0]=4 362 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Cl PI-29974 [0,1,0,1,0,0|2,0,0]=4 363 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N PI-30830 [0,1,0,1,0,0|2,0,0]=4 364 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)O PI-29761 [0,1,0,1,0,0|2,0,0]=4 365 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 PI-36976 [0,1,0,1,0,0|2,0,0]=4 366 B13R2.3683 Cc1ccc2cc(Br)ccc2n1 PI-14483 [0,1,0,1,0,0|2,0,0]=4 367 B13R2.3683 Cc1ccc2nc(C)ccc2c1 PI-11770 [0,1,0,1,0,0|2,0,0]=4 368 B13R2.3683 Clc1ccc2c(c1)ccc(c2)Cl PI-16536 [0,1,0,1,0,0|2,0,0]=4 369 B13R2.3683 Fc1ccc2nc(C)ccc2c1 PI-28059 [0,1,0,1,0,0|2,0,0]=4 370 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 PI-12042 [0,1,0,1,0,0|2,0,0]=4 371 B13R2.3683 Oc1ccc2cc(O)ccc2c1 PI-10866 [0,1,0,1,0,0|2,0,0]=4 372 B13R2.155 BrC1=CC2=CC(=CC=C2C=C1)Br PI-40219 [0,1,0,1,0,0|2,0,0]=4 373 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)Br)O PI-39114 [0,1,0,1,0,0|2,0,0]=4 374 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)O)O PI-32100 [0,1,0,1,0,0|2,0,0]=4 375 B13R2.155 C1=CC2=NC=C(C=C2C=C1Br)O PI-45733 [0,1,0,1,0,0|2,0,0]=4 376 B13R2.155 CC1=CC2=C(C=C1)C=CC(=N2)C PI-29979 [0,1,0,1,0,0|2,0,0]=4 377 B13R2.155 CC1=NC2=CC(F)=CC=C2C=C1 PI-28060 [0,1,0,1,0,0|2,0,0]=4 378 B13R2.155 Cc1ccc2c(c1)cc(cc2)C PI-23889 [0,1,0,1,0,0|1,0,0]=3 379 B13R2.155 SC1=CC=C2C=CC(S)=CC2=C1 PI-18854 [0,1,0,1,0,0|2,0,0]=4 380 B13R2.4856 C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 PI-35975 [0,1,0,1,0,0|2,0,0]=4 381 B13R2.4856 CC1CC2=C(C1=O)C(=CC=C2)Br PI-40275 [0,1,0,1,0,0|0,0,2]=4 382 B13R2.4856 FC1=C2C(=CC=C1)NC(C2=O)=O PI-40288 [0,1,0,1,0,0|2,0,0]=4 383 B13R2.4856 O=C1C(C)CC2=C1C(Br)=CC=C2 PI-40276 [0,1,0,1,0,0|0,0,2]=4 384 B13R2.4856 O=C1C(C)CC2=C1C(Cl)=CC=C2 PI-40266 [0,1,0,1,0,0|0,0,2]=4 385 B13R2.4856 O=C1Nc2cccc(I)c2C1=O PI-35976 [0,1,0,1,0,0|2,0,0]=4 386 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O PI-32101 [0,1,0,1,0,0|2,0,0]=4 387 B13R2.5179 C1=CC2=CC(=CN=C2C(=C1)F)I PI-48867 [0,1,0,1,0,0|2,0,0]=4 388 B13R2.5179 C1=CC2=CC(=CN=C2C(=C1)N)Br PI-48534 [0,1,0,1,0,0|2,0,0]=4 389 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)Cl PI-34194 [0,1,0,1,0,0|2,0,0]=4 390 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)N PI-34195 [0,1,0,1,0,0|2,0,0]=4 391 B13R2.5179 CC1=CC2=CC=CC(=C2C=C1)C PI-25698 [0,1,0,1,0,0|1,0,0]=3 392 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 PI-37296 [0,1,0,1,0,0|2,0,0]=4 393 B13R2.5179 CC1=NC2=C(C=C1)C(=CC=C2)Cl PI-33672 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.5179 Nc1ccc2c(O)cccc2c1 PI-18377 [0,1,0,1,0,0|2,0,0]=4 395 B13R2.5179 O=C1C=CNC2=C1C=CC(C)=C2 PI-46705 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.5179 Oc1ccc2c(c1)cccc2N PI-18951 [0,1,0,1,0,0|2,0,0]=4 397 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O PI-44938 [0,1,0,1,0,0|2,0,0]=4 398 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O PI-40287 [0,1,0,1,0,0|2,0,0]=4 399 B13R2.5190 Clc1ccc2c(c1)NC(=O)C2=O PI-10574 [0,1,0,1,0,0|2,0,0]=4 400 B13R2.5190 Ic1ccc2c(c1)NC(=O)C2=O PI-35977 [0,1,0,1,0,0|2,0,0]=4 401 B13R2.5190 O=C1C(C)CC2=C1C=CC(Br)=C2 PI-40271 [0,1,0,1,0,0|0,0,2]=4 402 B13R2.5190 O=C1C(C)CC2=C1C=CC(Cl)=C2 PI-40270 [0,1,0,1,0,0|0,0,2]=4 403 B13R2.5190 O=C1C(C)CC2=C1C=CC(F)=C2 PI-40268 [0,1,0,1,0,0|0,0,2]=4 404 B13R2.162 C1=C2C(=NC(=C1)C)C(=CC=C2)O PI-33671 [0,1,0,1,0,0|2,0,0]=4 405 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)Br PI-45478 [0,1,0,1,0,0|2,0,0]=4 406 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)O PI-11684 [0,1,0,1,0,0|2,0,0]=4 407 B13R2.162 C1=CC2=CC=CC(=C2N=C1C)N PI-29287 [0,1,0,1,0,0|2,0,0]=4 408 B13R2.162 CC1=C2C(=CC=C1)C=CC(=N2)C PI-11772 [0,1,0,1,0,0|2,0,0]=4 409 B13R2.162 CC1=C2C=C(C=CC2=CC=C1)O PI-49019 [0,1,0,1,0,0|2,0,0]=4 410 B13R2.162 CC1=CC2=C(C=CC=C2C=C1)C PI-18703 [0,1,0,1,0,0|1,0,0]=3 411 B13R2.162 CC1=NC2=C(C=CC=C2Cl)C=C1 PI-16458 [0,1,0,1,0,0|2,0,0]=4 412 B13R2.162 Cc1ccc2cccc(Br)c2n1 PI-36505 [0,1,0,1,0,0|2,0,0]=4 413 B13R2.162 OC1=CC=C2C=CC=C(N)C2=C1 PI-25075 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.4825 C1=CC=C(Br)C2=C1C(=O)C(=O)N2 PI-35969 [0,1,0,1,0,0|2,0,0]=4 415 B13R2.4825 C1=CC=C(C2=C1C(C(=O)N2)=O)Cl PI-10411 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.4825 CC1CC2=C(Br)C=CC=C2C1=O PI-40273 [0,1,0,1,0,0|0,0,2]=4 417 B13R2.4825 O=C1C(C)CC2=C1C=CC=C2Cl PI-40272 [0,1,0,1,0,0|0,0,2]=4 418 B13R2.4825 O=C1C(C)CC2=C1C=CC=C2F PI-40269 [0,1,0,1,0,0|0,0,2]=4 419 B13R2.4825 O=C1Nc2c(F)cccc2C1=O PI-28370 [0,1,0,1,0,0|2,0,0]=4 420 B13R2.4825 O=C1Nc2c(I)cccc2C1=O PI-35973 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [1,0,0,0,1,0|2,0,0]=4 422 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [1,0,0,0,1,0|2,0,0]=4 423 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [1,0,0,0,1,0|1,0,0]=3 424 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [1,0,0,0,1,0|2,0,0]=4 425 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [1,0,0,0,1,0|2,0,0]=4 426 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [1,0,0,0,1,0|2,0,0]=4 427 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [1,0,0,0,1,0|2,0,0]=4 428 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [1,0,0,0,1,0|1,0,0]=3 429 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [1,0,0,0,1,0|2,0,0]=4 430 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [1,0,0,0,1,0|2,0,0]=4 431 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [1,0,0,0,1,0|2,0,0]=4 432 B9R1.6 CC(=O)c1cccnc1 PI-32250 [1,0,0,0,1,0|1,0,0]=3 433 B9R1.6 CC(=O)c1ccncc1 PI-38297 [1,0,0,0,1,0|1,0,0]=3 434 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [1,0,0,0,1,0|1,0,1]=4 435 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [1,0,0,0,1,0|2,0,0]=4 436 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [1,0,0,0,1,0|0,0,2]=4 437 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [1,0,0,0,1,0|1,0,1]=4 438 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [1,0,0,0,1,0|1,0,1]=4 439 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [1,0,0,0,1,0|0,0,2]=4 440 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [1,0,0,0,1,0|0,1,1]=4 441 B9R1.6 NC(=N)c1ccccc1 PI-30200 [1,0,0,0,1,0|2,0,0]=4 442 B9R1.6 NC(=O)c1cccnc1 PI-12870 [1,0,0,0,1,0|2,0,0]=4 443 B9R1.6 NC(=S)c1ccccc1 PI-29356 [1,0,0,0,1,0|1,1,0]=4 444 B9R1.6 OC(=O)c1cccnc1 PI-15824 [1,0,0,0,1,0|2,0,0]=4 445 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [1,0,0,0,1,0|2,0,0]=4 446 B9R1.13 CC(=O)NC1=CC=CS1 PI-12512 [1,0,0,0,1,0|2,0,0]=4 447 B9R1.13 CN(C)C=C1C=CC=C1 PI-48994 [1,0,0,0,1,0|1,0,1]=4