0 B11R2.1 B1(c2ccccc2CO1)O AB08148 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.1 C1=CC2C(=NC=C2Br)C=C1 PB10416 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.1 C1=CC2C(=NC=C2O)C=C1 AB12538 [0,0,0,0,0,0|2,0,1]=3 3 B11R2.1 C1=CC2C(=NN=C2Br)C=C1 PB12113 [0,0,0,0,0,0|2,0,1]=3 4 B11R2.1 C1=CC2C(=NN=C2Cl)C=C1 AB02730 [0,0,0,0,0,0|2,0,1]=3 5 B11R2.1 C1=CC2C(=NN=C2I)C=C1 PB34085 [0,0,0,0,0,0|2,0,1]=3 6 B11R2.1 C1C=C2C(=C(N=N2)Br)C=N1 PB20592 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.1 C1C=C2C(=C(N=N2)I)C=N1 PB39264 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.1 C1C=C2C(=NN=C2Br)C=N1 PB14557 [0,0,0,0,0,0|3,0,1]=4 9 B11R2.1 C1C=C2C(=NN=C2I)C=N1 PB31596 [0,0,0,0,0,0|3,0,1]=4 10 B11R2.1 C1C=CN=C2C1=C(N=N2)Br PB32644 [0,0,0,0,0,0|3,0,1]=4 11 B11R2.1 C1C=CN=C2C1=C(N=N2)I PB26477 [0,0,0,0,0,0|3,0,1]=4 12 B11R2.1 C1C=CN=C2C1=C(N=N2)O AB23677 [0,0,0,0,0,0|2,0,1]=3 13 B11R2.1 C1C=CN=C2C1=NN=C2Br PB10908 [0,0,0,0,0,0|3,0,1]=4 14 B11R2.1 C1C=CN=C2C1=NN=C2I PB28141 [0,0,0,0,0,0|3,0,1]=4 15 B11R2.1 C1C=CN=C2C1=NN=C2N PB16716 [0,0,0,0,0,0|3,0,1]=4 16 B11R2.1 CC1=NN=C2=C1C=CC=C2 PB32213 [0,0,0,0,0,0|2,0,1]=3 17 B11R2.1 CC1=NN=C2=C1C=CC=N2 PB22220 [0,0,0,0,0,0|3,0,1]=4 18 B11R2.1 CC1=NN=C2=C1C=CN=C2 PB24132 [0,0,0,0,0,0|3,0,1]=4 19 B11R2.1 CC1=NN=C2=C1C=NC=C2 PB22527 [0,0,0,0,0,0|3,0,1]=4 20 B11R2.1 CC1=NN=C2=CC=CN=C12 PB27871 [0,0,0,0,0,0|3,0,1]=4 21 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,0,0,0,0,0|4,0,0]=4 22 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,0,0,0,0,0|4,0,0]=4 23 B11R2.1 Cn1c2ccccc2cn1 PB18505 [0,0,0,0,0,0|3,0,0]=3 24 B11R2.1 c1cc2c(c(cs2)Br)nc1 PB28335 [0,0,0,0,0,0|3,1,0]=4 25 B11R2.1 c1cc2c(c(no2)N)nc1 PB21304 [0,0,0,0,0,0|2,0,0]=2 26 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [0,0,0,0,0,0|3,0,1]=4 27 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,0,0,0,0,0|3,0,1]=4 28 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [0,0,0,0,0,0|2,0,1]=3 29 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [0,0,0,0,0,0|3,0,1]=4 30 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,0,0,0,0,0|1,0,1]=2 31 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [0,0,0,0,0,0|1,0,1]=2 32 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,0,0,0,0,0|2,0,1]=3 33 B11R2.1 c1ccc2c(c1)C(N=N2)N MB69235 [0,0,0,0,0,0|2,0,1]=3 34 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,0,0,0,0,0|3,0,1]=4 35 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [0,0,0,0,0,0|4,0,0]=4 36 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,0,0,0,0,0|3,0,1]=4 37 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,0,0,0,0,0|3,0,1]=4 38 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,0,0,0,0,0|1,0,2]=3 39 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [0,0,0,0,0,0|2,0,0]=2 40 B11R2.1 c1ccc2c(c1)c(no2)Cl MB02698 [0,0,0,0,0,0|1,0,0]=1 41 B11R2.1 c1ccc2c(c1)cnn2N MB08196 [0,0,0,0,0,0|3,0,0]=3 42 B11R2.1 c1ccn2c(c1)c(cn2)Br AB26764 [0,0,0,0,0,0|4,0,0]=4 43 B11R2.1 c1ccn2c(c1)c(cn2)N AB28918 [0,0,0,0,0,0|4,0,0]=4 44 B11R2.1 c1ccn2c(c1)ncc2Br PB14077 [0,0,0,0,0,0|4,0,0]=4 45 B11R2.1 c1ccn2c(c1)ncc2I AB28899 [0,0,0,0,0,0|4,0,0]=4 46 B11R2.1 c1ccn2c(c1)ncc2N AB26722 [0,0,0,0,0,0|4,0,0]=4 47 B11R2.1 c1ccn2c(c1)nnc2Cl PB13083 [0,0,0,0,0,0|3,0,0]=3 48 B11R2.1 c1ccn2c(c1)nnc2N AB13807 [0,0,0,0,0,0|3,0,0]=3 49 B11R2.1 c1ccn2c(c1)nnc2S MB02937 [0,0,0,0,0,0|2,1,0]=3 50 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [0,0,0,0,0,0|2,0,2]=4 51 B11R2.1 c1cncc2c1CNC2=O PB33122 [0,0,0,0,0,0|2,0,2]=4 52 B11R2.1 c1cncc2c1cnn2N MB12332 [0,0,0,0,0,0|4,0,0]=4 53 B10R2.7 C1=CC2C=NN=C2C=C1 PB23156 [1,0,0,0,0,0|1,0,1]=3 54 B10R2.7 C1C=C2C(=CN=N2)C=N1 PB20648 [1,0,0,0,0,0|2,0,1]=4 55 B10R2.7 C1C=C2C=NN=C2C=N1 PB27509 [1,0,0,0,0,0|2,0,1]=4 56 B10R2.7 C1C=CN=C2C1=NN=C2 PB32568 [1,0,0,0,0,0|2,0,1]=4 57 B10R2.7 c1cc2c(cco2)nc1 PB26741 [1,0,0,0,0,0|2,0,0]=3 58 B10R2.7 c1cc2c(ccs2)nc1 PB25371 [1,0,0,0,0,0|2,1,0]=4 59 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,0,0,0|1,0,2]=4 60 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,0,0,0|1,0,2]=4 61 B10R2.7 c1ccn2c(c1)ccn2 AB48944 [1,0,0,0,0,0|3,0,0]=4 62 B10R2.7 c1ccn2c(c1)cnn2 MB00828 [1,0,0,0,0,0|2,0,0]=3 63 B10R2.7 c1ccn2cccc2c1 AB01491 [1,0,0,0,0,0|3,0,0]=4 64 B10R2.7 c1ccn2cncc2c1 AB14043 [1,0,0,0,0,0|2,0,0]=3 65 B10R2.7 c1cncc2=CCN=c21 PB12213 [1,0,0,0,0,0|3,0,0]=4 66 B10R2.7 c1cncc2=NCC=c21 PB21773 [1,0,0,0,0,0|3,0,0]=4 67 B10R2.7 c1cncc2c1ccs2 MB02036 [1,0,0,0,0,0|2,1,0]=4 68 B12R2.1 C#CC1=c2ccccc2=NC1 AB06167 [0,1,0,0,0,0|3,0,0]=4 69 B12R2.1 C1=CC2C(=NN=C2C#N)C=C1 AB10022 [0,1,0,0,0,0|2,0,1]=4 70 B12R2.1 C1=CC2C(=NN=C2C=O)C=C1 MB10044 [0,1,0,0,0,0|1,0,2]=4 71 B12R2.1 C1=CC2C(=NN=C2C=O)C=C1 PB29329 [0,1,0,0,0,0|1,0,2]=4 72 B12R2.1 C1=CC2C(=NN=C2CCl)C=C1 AB60570 [0,1,0,0,0,0|2,0,1]=4 73 B12R2.1 C1=CC2C(=NN=C2CN)C=C1 AB28715 [0,1,0,0,0,0|2,0,1]=4 74 B12R2.1 C1=CC2C(=NN=C2CN)C=C1 PB20944 [0,1,0,0,0,0|2,0,1]=4 75 B12R2.1 C1=CC2C(=NN=C2CO)C=C1 PB26152 [0,1,0,0,0,0|1,0,1]=3 76 B12R2.1 CNc1nnc2n1cccc2 AB52824 [0,1,0,0,0,0|3,0,0]=4 77 B12R2.1 COC1=NN=C2=C1C=CC=C2 PB34799 [0,1,0,0,0,0|1,0,1]=3 78 B12R2.1 CSC1=NN=C2=C1C=CC=C2 MB09355 [0,1,0,0,0,0|1,1,1]=4 79 B12R2.1 c1ccc2c(c1)C(CO2)CN AB56739 [0,1,0,0,0,0|2,0,1]=4 80 B12R2.1 c1ccc2c(c1)c(co2)C=O MB02776 [0,1,0,0,0,0|1,0,1]=3 81 B12R2.1 c1ccn2c(c1)cnc2C=O AB48941 [0,1,0,0,0,0|2,0,1]=4 82 B12R2.1 c1ccn2cnc(c2c1)C=O AB28965 [0,1,0,0,0,0|2,0,1]=4 83 B12R2.1 c1ccn2cnc(c2c1)CN AB28978 [0,1,0,0,0,0|3,0,0]=4 84 B12R2.18 CN1Cc2ccccc2C1=O MB00364 [0,1,0,0,0,0|1,0,2]=4 85 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 MB14910 [0,1,0,0,0,0|1,0,2]=4 86 B12R2.18 Cn1c(c2ccccc2n1)Br PB35997 [0,1,0,0,0,0|2,0,1]=4 87 B12R2.18 Cn1c(c2ccccc2n1)I PB16519 [0,1,0,0,0,0|2,0,1]=4 88 B12R2.132 B1(c2cc(ccc2CO1)N)O AB20321 [0,1,0,0,0,0|3,0,0]=4 89 B12R2.132 C1C=C(C=C2C1=NC=C2O)Br AB43633 [0,1,0,0,0,0|2,0,1]=4 90 B12R2.132 C1C=C(C=C2C1=NN=C2Br)Br MB00801 [0,1,0,0,0,0|2,0,1]=4 91 B12R2.132 C1C=C(C=C2C1=NN=C2Br)Cl MB04875 [0,1,0,0,0,0|2,0,1]=4 92 B12R2.132 C1C=C(C=C2C1=NN=C2Br)F MB04965 [0,1,0,0,0,0|2,0,1]=4 93 B12R2.132 C1C=C(C=C2C1=NN=C2Br)N MB04994 [0,1,0,0,0,0|2,0,1]=4 94 B12R2.132 C1C=C(C=C2C1=NN=C2Cl)Br PB26226 [0,1,0,0,0,0|2,0,1]=4 95 B12R2.132 C1C=C(C=C2C1=NN=C2Cl)Cl MB07215 [0,1,0,0,0,0|2,0,1]=4 96 B12R2.132 C1C=C(C=C2C1=NN=C2Cl)F MB04969 [0,1,0,0,0,0|2,0,1]=4 97 B12R2.132 C1C=C(C=C2C1=NN=C2Cl)N PB27832 [0,1,0,0,0,0|2,0,1]=4 98 B12R2.132 C1C=C(C=C2C1=NN=C2I)Br PB18831 [0,1,0,0,0,0|2,0,1]=4 99 B12R2.132 C1C=C(C=C2C1=NN=C2I)Cl AB28705 [0,1,0,0,0,0|2,0,1]=4 100 B12R2.132 C1C=C(C=C2C1=NN=C2I)F AB28704 [0,1,0,0,0,0|2,0,1]=4 101 B12R2.132 C1C=C(C=C2C1=NN=C2I)N PB27836 [0,1,0,0,0,0|2,0,1]=4 102 B12R2.132 C1C=C(C=C2C1=NN=C2N)Br PB20824 [0,1,0,0,0,0|2,0,1]=4 103 B12R2.132 C1C=C(C=C2C1=NN=C2N)Cl AB41916 [0,1,0,0,0,0|2,0,1]=4 104 B12R2.132 C1C=C(C=C2C1=NN=C2N)F AB15008 [0,1,0,0,0,0|2,0,1]=4 105 B12R2.132 C1C=C(C=C2C1=NN=C2O)Br MB04962 [0,1,0,0,0,0|1,0,1]=3 106 B12R2.132 C1C=C(C=C2C1=NN=C2O)O MB05006 [0,1,0,0,0,0|1,0,1]=3 107 B12R2.132 CC1=CC2C(=NN=C2Br)C=C1 MB04936 [0,1,0,0,0,0|2,0,1]=4 108 B12R2.132 CC1=CC2C(=NN=C2Cl)C=C1 MB07636 [0,1,0,0,0,0|2,0,1]=4 109 B12R2.132 CC1=CC2C(=NN=C2I)C=C1 AB42721 [0,1,0,0,0,0|2,0,1]=4 110 B12R2.132 CC1=NN=C2=C1C=C(C=C2)Br MB14947 [0,1,0,0,0,0|2,0,1]=4 111 B12R2.132 CC1=NN=C2=C1C=C(C=C2)Br PB27696 [0,1,0,0,0,0|2,0,1]=4 112 B12R2.132 CC1=NN=C2=C1C=C(C=C2)Cl MB08397 [0,1,0,0,0,0|2,0,1]=4 113 B12R2.132 CC1=NN=C2=C1C=C(C=C2)F MB06522 [0,1,0,0,0,0|2,0,1]=4 114 B12R2.132 CC1=NN=C2=C1C=C(C=C2)I MB12202 [0,1,0,0,0,0|2,0,1]=4 115 B12R2.132 CC1=NN=C2=C1C=C(C=C2)N PB32584 [0,1,0,0,0,0|2,0,1]=4 116 B12R2.132 CC1=NN=C2=C1C=C(C=C2)O MB06597 [0,1,0,0,0,0|2,0,1]=4 117 B12R2.132 CC1=c2cc(ccc2=NC1)Br AB17162 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.132 Cc1c2cc(ccc2on1)Br MB06428 [0,1,0,0,0,0|1,0,0]=2 119 B12R2.132 Cc1ccc2c(c1)C(=O)NC2 AB49680 [0,1,0,0,0,0|1,0,2]=4 120 B12R2.132 Cc1coc2c1cc(cc2)Br MB07839 [0,1,0,0,0,0|2,0,0]=3 121 B12R2.132 Cc1nnc2n1cc(cc2)Br PB31284 [0,1,0,0,0,0|3,0,0]=4 122 B12R2.132 Cn1c2cc(ccc2cn1)Br PB22316 [0,1,0,0,0,0|3,0,0]=4 123 B12R2.132 Cn1c2cc(ccc2cn1)Cl MB11448 [0,1,0,0,0,0|3,0,0]=4 124 B12R2.132 Cn1c2cc(ccc2cn1)F MB11451 [0,1,0,0,0,0|3,0,0]=4 125 B12R2.132 Cn1c2cc(ccc2cn1)I MB11454 [0,1,0,0,0,0|3,0,0]=4 126 B12R2.132 Cn1c2cc(ccc2cn1)N PB21697 [0,1,0,0,0,0|3,0,0]=4 127 B12R2.132 Cn1c2cc(ccc2cn1)O MB01167 [0,1,0,0,0,0|3,0,0]=4 128 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 PB34016 [0,1,0,0,0,0|2,0,1]=4 129 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 AB27760 [0,1,0,0,0,0|2,0,1]=4 130 B12R2.132 c1cc2c(cc1Br)C(=O)N=N2 AB60842 [0,1,0,0,0,0|1,0,1]=3 131 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 PB29879 [0,1,0,0,0,0|1,0,2]=4 132 B12R2.132 c1cc2c(cc1Br)C(=O)OC2 PB15748 [0,1,0,0,0,0|2,0,1]=4 133 B12R2.132 c1cc2c(cc1Br)C(CO2)N AB27755 [0,1,0,0,0,0|2,0,1]=4 134 B12R2.132 c1cc2c(cc1Br)c(no2)Cl AB65566 [0,1,0,0,0,0|1,0,0]=2 135 B12R2.132 c1cc2c(cc1Br)c(no2)N MB07795 [0,1,0,0,0,0|1,0,0]=2 136 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [0,1,0,0,0,0|2,0,1]=4 137 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [0,1,0,0,0,0|1,0,1]=3 138 B12R2.132 c1cc2c(cc1Cl)C(=O)N=N2 AB23768 [0,1,0,0,0,0|1,0,1]=3 139 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 MB05675 [0,1,0,0,0,0|1,0,2]=4 140 B12R2.132 c1cc2c(cc1Cl)C(CO2)N AB27750 [0,1,0,0,0,0|2,0,1]=4 141 B12R2.132 c1cc2c(cc1Cl)c(co2)Br AB65773 [0,1,0,0,0,0|2,0,0]=3 142 B12R2.132 c1cc2c(cc1Cl)c(cs2)Br MB14444 [0,1,0,0,0,0|2,1,0]=4 143 B12R2.132 c1cc2c(cc1Cl)c(no2)Cl AB66315 [0,1,0,0,0,0|1,0,0]=2 144 B12R2.132 c1cc2c(cc1F)C(=O)CC2 AB08649 [0,1,0,0,0,0|2,0,1]=4 145 B12R2.132 c1cc2c(cc1F)C(=O)NC2 AB51004 [0,1,0,0,0,0|1,0,2]=4 146 B12R2.132 c1cc2c(cc1F)C(CO2)N AB27751 [0,1,0,0,0,0|2,0,1]=4 147 B12R2.132 c1cc2c(cc1F)c(no2)Cl AB64624 [0,1,0,0,0,0|1,0,0]=2 148 B12R2.132 c1cc2c(cc1I)C(=O)OC2 PB34159 [0,1,0,0,0,0|2,0,1]=4 149 B12R2.132 c1cc2c(cc1N)C(=O)NC2 PB34386 [0,1,0,0,0,0|1,0,2]=4 150 B12R2.132 c1cc2c(cc1N)C(=O)OC2 PB15617 [0,1,0,0,0,0|2,0,1]=4 151 B12R2.132 c1cc2c(cc1O)C(=O)NC2 MB06080 [0,1,0,0,0,0|1,0,2]=4 152 B12R2.132 c1cc2cnn(c2cc1Cl)O MB69250 [0,1,0,0,0,0|2,0,0]=3 153 B12R2.132 c1cc2cnn(c2cc1F)O MB69253 [0,1,0,0,0,0|2,0,0]=3 154 B12R2.132 c1cc2cnn(c2cc1I)N MB11915 [0,1,0,0,0,0|3,0,0]=4 155 B12R2.196 C1C=CC(=C2C1=C(N=N2)Br)N PB31334 [0,1,0,0,0,0|2,0,1]=4 156 B12R2.196 C1C=CC(=C2C1=C(N=N2)Cl)Br PB20935 [0,1,0,0,0,0|2,0,1]=4 157 B12R2.196 C1C=CC(=C2C1=C(N=N2)Cl)N PB16405 [0,1,0,0,0,0|2,0,1]=4 158 B12R2.196 C1C=CC(=C2C1=C(N=N2)I)Br PB31320 [0,1,0,0,0,0|2,0,1]=4 159 B12R2.196 C1C=CC(=C2C1=C(N=N2)I)Cl AB42709 [0,1,0,0,0,0|2,0,1]=4 160 B12R2.196 C1C=CC(=C2C1=C(N=N2)I)F AB58221 [0,1,0,0,0,0|2,0,1]=4 161 B12R2.196 C1C=CC(=C2C1=C(N=N2)I)N PB20314 [0,1,0,0,0,0|2,0,1]=4 162 B12R2.196 C1C=CC(=C2C1=C(N=N2)N)Br PB17982 [0,1,0,0,0,0|2,0,1]=4 163 B12R2.196 C1C=CC(=C2C1=C(N=N2)O)Cl MB04960 [0,1,0,0,0,0|1,0,1]=3 164 B12R2.196 C1C=CC(=C2C1=C(N=N2)O)F MB06480 [0,1,0,0,0,0|1,0,1]=3 165 B12R2.196 CC1=C2C(=C(N=N2)Br)C=CC1 MB04952 [0,1,0,0,0,0|2,0,1]=4 166 B12R2.196 CC1=C2C(=C(N=N2)I)C=CC1 AB42733 [0,1,0,0,0,0|2,0,1]=4 167 B12R2.196 CC1=NN=C2=C1C=CC=C2Br PB29929 [0,1,0,0,0,0|2,0,1]=4 168 B12R2.196 CC1=NN=C2=C1C=CC=C2F MB69249 [0,1,0,0,0,0|2,0,1]=4 169 B12R2.196 CC1=NN=C2=C1C=CC=C2N MB04683 [0,1,0,0,0,0|2,0,1]=4 170 B12R2.196 CC1=c2cccc(c2=NC1)Cl AB44105 [0,1,0,0,0,0|3,0,0]=4 171 B12R2.196 Cc1nnc2n1cccc2Br PB15189 [0,1,0,0,0,0|3,0,0]=4 172 B12R2.196 Cn1c2cccc(c2cn1)Br PB23714 [0,1,0,0,0,0|3,0,0]=4 173 B12R2.196 Cn1c2cccc(c2cn1)F MB09182 [0,1,0,0,0,0|3,0,0]=4 174 B12R2.196 Cn1c2cccc(c2cn1)I PB34667 [0,1,0,0,0,0|3,0,0]=4 175 B12R2.196 Cn1c2cccc(c2cn1)N PB22298 [0,1,0,0,0,0|3,0,0]=4 176 B12R2.196 Cn1c2cccc(c2cn1)O MB10366 [0,1,0,0,0,0|3,0,0]=4 177 B12R2.196 c1cc(c2nnc(n2c1)Cl)Br PB37404 [0,1,0,0,0,0|3,0,0]=4 178 B12R2.196 c1cc2c(c(c1)Br)CCC2=O PB19935 [0,1,0,0,0,0|2,0,1]=4 179 B12R2.196 c1cc2c(c(c1)Br)CNC2=O PB29648 [0,1,0,0,0,0|1,0,2]=4 180 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O PB25074 [0,1,0,0,0,0|2,0,1]=4 181 B12R2.196 c1cc2c(c(c1)Cl)CNC2=O AB51011 [0,1,0,0,0,0|1,0,2]=4 182 B12R2.196 c1cc2c(c(c1)F)CCC2=O AB07191 [0,1,0,0,0,0|2,0,1]=4 183 B12R2.196 c1cc2c(c(c1)F)CNC2=O AB66630 [0,1,0,0,0,0|1,0,2]=4 184 B12R2.196 c1cc2c(c(c1)F)OCC2=O MB06387 [0,1,0,0,0,0|1,0,1]=3 185 B12R2.196 c1cc2c(c(c1)I)CCC2=O MB07542 [0,1,0,0,0,0|2,0,1]=4 186 B12R2.196 c1cc2c(c(c1)N)CNC2=O PB14554 [0,1,0,0,0,0|1,0,2]=4 187 B12R2.196 c1cc2c(c(c1)O)CNC2=O AB56005 [0,1,0,0,0,0|1,0,2]=4 188 B12R2.196 c1cc2c(cnn2N)c(c1)Cl MB14932 [0,1,0,0,0,0|3,0,0]=4 189 B12R2.196 c1cc2c(cnn2O)c(c1)Cl MB69255 [0,1,0,0,0,0|2,0,0]=3 190 B12R2.196 c1cc2c(cnn2O)c(c1)F MB69251 [0,1,0,0,0,0|2,0,0]=3 191 B12R2.203 C1=CC2C(=C(N=N2)Cl)C(=C1)N PB22216 [0,1,0,0,0,0|2,0,1]=4 192 B12R2.203 C1=CC2C(=C(N=N2)I)C(=C1)N PB18822 [0,1,0,0,0,0|2,0,1]=4 193 B12R2.203 C1C=CC(=C2C1=NN=C2Br)Br MB04893 [0,1,0,0,0,0|2,0,1]=4 194 B12R2.203 C1C=CC(=C2C1=NN=C2Br)Cl MB04871 [0,1,0,0,0,0|2,0,1]=4 195 B12R2.203 C1C=CC(=C2C1=NN=C2Br)F MB04879 [0,1,0,0,0,0|2,0,1]=4 196 B12R2.203 C1C=CC(=C2C1=NN=C2Br)I MB04922 [0,1,0,0,0,0|2,0,1]=4 197 B12R2.203 C1C=CC(=C2C1=NN=C2Cl)Br PB29583 [0,1,0,0,0,0|2,0,1]=4 198 B12R2.203 C1C=CC(=C2C1=NN=C2I)Br PB17458 [0,1,0,0,0,0|2,0,1]=4 199 B12R2.203 C1C=CC(=C2C1=NN=C2I)Cl AB42694 [0,1,0,0,0,0|2,0,1]=4 200 B12R2.203 C1C=CC(=C2C1=NN=C2I)F AB42698 [0,1,0,0,0,0|2,0,1]=4 201 B12R2.203 C1C=CC(=C2C1=NN=C2I)I MB04920 [0,1,0,0,0,0|2,0,1]=4 202 B12R2.203 C1C=CC(=C2C1=NN=C2N)Br PB13089 [0,1,0,0,0,0|2,0,1]=4 203 B12R2.203 C1C=CC(=C2C1=NN=C2N)I PB17313 [0,1,0,0,0,0|2,0,1]=4 204 B12R2.203 C1C=CC(=C2C1=NN=C2O)F MB04887 [0,1,0,0,0,0|1,0,1]=3 205 B12R2.203 CC1=C2C(=NN=C2Br)C=CC1 MB10066 [0,1,0,0,0,0|2,0,1]=4 206 B12R2.203 CC1=C2C(=NN=C2I)C=CC1 AB42686 [0,1,0,0,0,0|2,0,1]=4 207 B12R2.203 CC1=NN=C2=C1C(=CC=C2)N MB14893 [0,1,0,0,0,0|2,0,1]=4 208 B12R2.203 CC1=NN=C2=CC=CC(=C12)Br PB23661 [0,1,0,0,0,0|2,0,1]=4 209 B12R2.203 CC1=NN=C2=CC=CC(=C12)Cl MB12344 [0,1,0,0,0,0|2,0,1]=4 210 B12R2.203 CC1=NN=C2=CC=CC(=C12)F MB03173 [0,1,0,0,0,0|2,0,1]=4 211 B12R2.203 CC1=NN=C2=CC=CC(=C12)O MB06756 [0,1,0,0,0,0|2,0,1]=4 212 B12R2.203 Cc1cccc2c1n(nc2)N MB14890 [0,1,0,0,0,0|3,0,0]=4 213 B12R2.203 Cc1nnc2n1c(ccc2)Br PB36589 [0,1,0,0,0,0|3,0,0]=4 214 B12R2.203 Cn1c2c(cccc2Br)cn1 PB34460 [0,1,0,0,0,0|3,0,0]=4 215 B12R2.203 Cn1c2c(cccc2F)cn1 MB11997 [0,1,0,0,0,0|3,0,0]=4 216 B12R2.203 Cn1c2c(cccc2N)cn1 PB13181 [0,1,0,0,0,0|3,0,0]=4 217 B12R2.203 c1cc2c(c(c1)Br)C(=O)N=N2 PB19342 [0,1,0,0,0,0|1,0,1]=3 218 B12R2.203 c1cc2c(c(c1)Br)C(=O)NC2 AB64823 [0,1,0,0,0,0|1,0,2]=4 219 B12R2.203 c1cc2c(c(c1)Cl)C(=O)NC2 MB07456 [0,1,0,0,0,0|1,0,2]=4 220 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 MB04473 [0,1,0,0,0,0|2,0,1]=4 221 B12R2.203 c1cc2c(c(c1)N)C(=O)NC2 PB34384 [0,1,0,0,0,0|1,0,2]=4 222 B12R2.203 c1cc2nnc(n2c(c1)Cl)N PB25773 [0,1,0,0,0,0|3,0,0]=4 223 B12R2.612 B1(c2ccc(cc2CO1)F)O MB08883 [0,1,0,0,0,0|3,0,0]=4 224 B12R2.612 C1C=C(C=C2C1=C(C=N2)O)Br AB60347 [0,1,0,0,0,0|2,0,1]=4 225 B12R2.612 C1C=C(C=C2C1=C(N=N2)Br)Br MB04899 [0,1,0,0,0,0|2,0,1]=4 226 B12R2.612 C1C=C(C=C2C1=C(N=N2)Br)Cl MB04866 [0,1,0,0,0,0|2,0,1]=4 227 B12R2.612 C1C=C(C=C2C1=C(N=N2)Br)F MB04910 [0,1,0,0,0,0|2,0,1]=4 228 B12R2.612 C1C=C(C=C2C1=C(N=N2)Br)I MB04927 [0,1,0,0,0,0|2,0,1]=4 229 B12R2.612 C1C=C(C=C2C1=C(N=N2)Br)N MB04979 [0,1,0,0,0,0|2,0,1]=4 230 B12R2.612 C1C=C(C=C2C1=C(N=N2)Cl)Br PB20195 [0,1,0,0,0,0|2,0,1]=4 231 B12R2.612 C1C=C(C=C2C1=C(N=N2)Cl)Cl MB19202 [0,1,0,0,0,0|2,0,1]=4 232 B12R2.612 C1C=C(C=C2C1=C(N=N2)Cl)F MB10067 [0,1,0,0,0,0|2,0,1]=4 233 B12R2.612 C1C=C(C=C2C1=C(N=N2)Cl)I MB04974 [0,1,0,0,0,0|2,0,1]=4 234 B12R2.612 C1C=C(C=C2C1=C(N=N2)Cl)N PB14504 [0,1,0,0,0,0|2,0,1]=4 235 B12R2.612 C1C=C(C=C2C1=C(N=N2)Cl)O MB06738 [0,1,0,0,0,0|2,0,1]=4 236 B12R2.612 C1C=C(C=C2C1=C(N=N2)I)Br PB18827 [0,1,0,0,0,0|2,0,1]=4 237 B12R2.612 C1C=C(C=C2C1=C(N=N2)I)Cl AB42681 [0,1,0,0,0,0|2,0,1]=4 238 B12R2.612 C1C=C(C=C2C1=C(N=N2)I)F AB42713 [0,1,0,0,0,0|2,0,1]=4 239 B12R2.612 C1C=C(C=C2C1=C(N=N2)I)I MB04926 [0,1,0,0,0,0|2,0,1]=4 240 B12R2.612 C1C=C(C=C2C1=C(N=N2)I)N PB30969 [0,1,0,0,0,0|2,0,1]=4 241 B12R2.612 C1C=C(C=C2C1=C(N=N2)I)O MB09022 [0,1,0,0,0,0|2,0,1]=4 242 B12R2.612 C1C=C(C=C2C1=C(N=N2)N)Br PB26168 [0,1,0,0,0,0|2,0,1]=4 243 B12R2.612 C1C=C(C=C2C1=C(N=N2)N)F AB28663 [0,1,0,0,0,0|2,0,1]=4 244 B12R2.612 C1C=C(C=C2C1=C(N=N2)O)Br MB04907 [0,1,0,0,0,0|1,0,1]=3 245 B12R2.612 CC1=CC2C(=C(N=N2)Br)C=C1 MB04943 [0,1,0,0,0,0|2,0,1]=4 246 B12R2.612 CC1=CC2C(=C(N=N2)Cl)C=C1 AB27199 [0,1,0,0,0,0|2,0,1]=4 247 B12R2.612 CC1=CC2C(=C(N=N2)I)C=C1 AB42724 [0,1,0,0,0,0|2,0,1]=4 248 B12R2.612 CC1=NN=C2=C1C=CC(=C2)Br PB16006 [0,1,0,0,0,0|2,0,1]=4 249 B12R2.612 CC1=NN=C2=C1C=CC(=C2)Cl MB19203 [0,1,0,0,0,0|2,0,1]=4 250 B12R2.612 CC1=NN=C2=C1C=CC(=C2)F MB06514 [0,1,0,0,0,0|2,0,1]=4 251 B12R2.612 CC1=NN=C2=C1C=CC(=C2)I PB11964 [0,1,0,0,0,0|2,0,1]=4 252 B12R2.612 CC1=NN=C2=C1C=CC(=C2)N PB22438 [0,1,0,0,0,0|2,0,1]=4 253 B12R2.612 CC1=NN=C2=C1C=CC(=C2)O MB06518 [0,1,0,0,0,0|2,0,1]=4 254 B12R2.612 Cc1c2ccc(cc2sn1)Cl MB04108 [0,1,0,0,0,0|1,1,0]=3 255 B12R2.612 Cc1ccc2c(c1)CNC2=O MB07070 [0,1,0,0,0,0|1,0,2]=4 256 B12R2.612 Cc1ccc2c(c1)cnn2N MB14892 [0,1,0,0,0,0|3,0,0]=4 257 B12R2.612 Cc1ccc2c(c1)onc2Cl AB25984 [0,1,0,0,0,0|1,0,0]=2 258 B12R2.612 Cc1ccc2c(n1)OCC2=O AB70120 [0,1,0,0,0,0|2,0,1]=4 259 B12R2.612 Cc1nnc2n1ccc(c2)Br PB25481 [0,1,0,0,0,0|3,0,0]=4 260 B12R2.612 Cn1c2ccc(cc2cn1)Br PB22315 [0,1,0,0,0,0|3,0,0]=4 261 B12R2.612 Cn1c2ccc(cc2cn1)I MB11460 [0,1,0,0,0,0|3,0,0]=4 262 B12R2.612 Cn1c2ccc(cc2cn1)N PB29249 [0,1,0,0,0,0|3,0,0]=4 263 B12R2.612 Cn1c2ccc(cc2cn1)S MB69216 [0,1,0,0,0,0|3,0,0]=4 264 B12R2.612 c1cc(nc2c1C(=O)CO2)Cl AB70109 [0,1,0,0,0,0|2,0,1]=4 265 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [0,1,0,0,0,0|2,0,1]=4 266 B12R2.612 c1cc2c(cc1Br)CNC2=O PB29649 [0,1,0,0,0,0|1,0,2]=4 267 B12R2.612 c1cc2c(cc1Br)OCC2=O AB45183 [0,1,0,0,0,0|1,0,1]=3 268 B12R2.612 c1cc2c(cc1Br)OCC2N AB51059 [0,1,0,0,0,0|2,0,1]=4 269 B12R2.612 c1cc2c(cc1Br)onc2Cl MB11909 [0,1,0,0,0,0|1,0,0]=2 270 B12R2.612 c1cc2c(cc1Br)onc2N MB07663 [0,1,0,0,0,0|1,0,0]=2 271 B12R2.612 c1cc2c(cc1Cl)CCC2=O AB01874 [0,1,0,0,0,0|2,0,1]=4 272 B12R2.612 c1cc2c(cc1Cl)CNC2=O MB05670 [0,1,0,0,0,0|1,0,2]=4 273 B12R2.612 c1cc2c(cc1Cl)N=NC2=O AB60847 [0,1,0,0,0,0|1,0,1]=3 274 B12R2.612 c1cc2c(cc1Cl)OCC2=O AB27747 [0,1,0,0,0,0|1,0,1]=3 275 B12R2.612 c1cc2c(cc1Cl)OCC2N AB56718 [0,1,0,0,0,0|2,0,1]=4 276 B12R2.612 c1cc2c(cc1Cl)cnn2N MB14920 [0,1,0,0,0,0|3,0,0]=4 277 B12R2.612 c1cc2c(cc1Cl)onc2Cl AB25981 [0,1,0,0,0,0|1,0,0]=2 278 B12R2.612 c1cc2c(cc1F)CCC2=O AB01853 [0,1,0,0,0,0|2,0,1]=4 279 B12R2.612 c1cc2c(cc1F)CNC2=O AB71859 [0,1,0,0,0,0|1,0,2]=4 280 B12R2.612 c1cc2c(cc1F)OCC2=O AB51227 [0,1,0,0,0,0|1,0,1]=3 281 B12R2.612 c1cc2c(cc1F)OCC2N AB56716 [0,1,0,0,0,0|2,0,1]=4 282 B12R2.612 c1cc2c(cc1F)onc2Cl AB71606 [0,1,0,0,0,0|1,0,0]=2 283 B12R2.612 c1cc2c(cc1I)CCC2=O MB07544 [0,1,0,0,0,0|2,0,1]=4 284 B12R2.612 c1cc2c(cc1I)cnn2N MB11912 [0,1,0,0,0,0|3,0,0]=4 285 B12R2.612 c1cc2c(cc1N)CNC2=O PB14793 [0,1,0,0,0,0|1,0,2]=4 286 B12R2.612 c1cc2c(cc1O)CNC2=O AB56006 [0,1,0,0,0,0|1,0,2]=4 287 B12R2.2028 Cc1c2ccccc2n(n1)N MB14907 [0,1,0,0,0,0|2,0,0]=3 288 B12R2.2028 Cn1c2c(cccn2)c(n1)Br MB10659 [0,1,0,0,0,0|3,0,0]=4 289 B12R2.2028 Cn1c2c(cccn2)c(n1)I MB05710 [0,1,0,0,0,0|3,0,0]=4 290 B12R2.2028 Cn1c2c(cccn2)c(n1)N PB24862 [0,1,0,0,0,0|3,0,0]=4 291 B12R2.2028 Cn1c2ccccc2c(n1)Br PB19317 [0,1,0,0,0,0|2,0,0]=3 292 B12R2.2028 Cn1c2ccccc2c(n1)I PB31461 [0,1,0,0,0,0|2,0,0]=3 293 B12R2.2028 Cn1cc(c2c1cccc2)Br MB09274 [0,1,0,0,0,0|3,0,0]=4 294 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [0,1,0,0,0,0|2,0,1]=4 295 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [0,1,0,0,0,0|2,0,1]=4 296 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,0,1,0,0,0|1,0,2]=4 297 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,0,1,0,0,0|1,0,2]=4 298 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,0,1,0,0,0|1,0,2]=4 299 B10R1.17 c1ccc(cc1)CCC=O AB00823 [0,0,1,0,0,0|2,0,1]=4 300 B10R1.20 C#Cc1ccccc1C=O AB17472 [0,0,1,0,0,0|2,0,1]=4 301 B10R1.20 COc1c(cccn1)C=O PB26137 [0,0,1,0,0,0|2,0,1]=4 302 B10R1.20 COc1c(cccn1)CO PB20446 [0,0,1,0,0,0|2,0,1]=4 303 B10R1.20 COc1ccccc1C#N AB00156 [0,0,1,0,0,0|2,0,1]=4 304 B10R1.20 COc1ccccc1C=O AB00311 [0,0,1,0,0,0|1,0,1]=3 305 B10R1.20 COc1cccnc1C=O AB22246 [0,0,1,0,0,0|2,0,1]=4 306 B10R1.20 COc1cccnc1CO MB05449 [0,0,1,0,0,0|2,0,1]=4 307 B10R1.20 COc1ccncc1C=O AB17569 [0,0,1,0,0,0|2,0,1]=4 308 B10R1.20 COc1cnccc1C=O AB17541 [0,0,1,0,0,0|2,0,1]=4 309 B10R1.61 B(c1c(cccn1)O)(O)O AB48454 [0,0,1,0,0,0|3,0,0]=4 310 B10R1.61 B(c1ccccc1Br)(O)O AB08325 [0,0,1,0,0,0|3,0,0]=4 311 B10R1.61 B(c1ccccc1C)(O)O AB03348 [0,0,1,0,0,0|3,0,0]=4 312 B10R1.61 B(c1ccccc1Cl)(O)O AB06914 [0,0,1,0,0,0|3,0,0]=4 313 B10R1.61 B(c1ccccc1F)(O)O AB06918 [0,0,1,0,0,0|3,0,0]=4 314 B10R1.61 B(c1ccccc1N)(O)O AB08088 [0,0,1,0,0,0|3,0,0]=4 315 B10R1.61 B(c1ccccc1O)(O)O AB08053 [0,0,1,0,0,0|2,0,0]=3 316 B10R1.61 B(c1cccnc1O)(O)O AB59785 [0,0,1,0,0,0|3,0,0]=4 317 B10R1.61 B(c1ccncc1O)(O)O AB67807 [0,0,1,0,0,0|3,0,0]=4 318 B10R1.61 B(c1cnccc1O)(O)O AB59789 [0,0,1,0,0,0|3,0,0]=4 319 B10R1.61 CN(C)c1ccccc1O MB08302 [0,0,1,0,0,0|3,0,0]=4 320 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [0,0,1,0,0,0|3,0,0]=4 321 B10R1.61 Cc1ccccc1C(=N)N AB18273 [0,0,1,0,0,0|2,0,0]=3 322 B10R1.61 Cc1ccccc1C(=S)N AB16881 [0,0,1,0,0,0|1,1,1]=4 323 B10R1.61 Cc1cccnc1C(=O)O PB10121 [0,0,1,0,0,0|3,0,0]=4 324 B10R1.61 Cc1ccncc1C(=O)O PB17119 [0,0,1,0,0,0|3,0,0]=4 325 B10R1.61 Cc1cnccc1C(=O)O PB12103 [0,0,1,0,0,0|3,0,0]=4 326 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [0,0,1,0,0,0|3,0,0]=4 327 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [0,0,1,0,0,0|3,0,0]=4 328 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [0,0,1,0,0,0|3,0,0]=4 329 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [0,0,1,0,0,0|3,0,0]=4 330 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [0,0,1,0,0,0|3,0,0]=4 331 B10R1.61 c1cc(c(nc1)Cl)C(=N)N MB05508 [0,0,1,0,0,0|3,0,0]=4 332 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [0,0,1,0,0,0|3,0,0]=4 333 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [0,0,1,0,0,0|3,0,0]=4 334 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [0,0,1,0,0,0|3,0,0]=4 335 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [0,0,1,0,0,0|2,0,0]=3 336 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [0,0,1,0,0,0|2,0,0]=3 337 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [0,0,1,0,0,0|2,0,0]=3 338 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [0,0,1,0,0,0|2,0,0]=3 339 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [0,0,1,0,0,0|1,0,0]=2 340 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [0,0,1,0,0,0|2,0,0]=3 341 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [0,0,1,0,0,0|1,1,1]=4 342 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [0,0,1,0,0,0|1,1,1]=4 343 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [0,0,1,0,0,0|1,1,1]=4 344 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [0,0,1,0,0,0|3,0,0]=4 345 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [0,0,1,0,0,0|3,0,0]=4 346 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [0,0,1,0,0,0|1,0,2]=4 347 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [0,0,1,0,0,0|3,0,0]=4 348 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [0,0,1,0,0,0|3,0,0]=4 349 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [0,0,1,0,0,0|3,0,0]=4 350 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [0,0,1,0,0,0|3,0,0]=4 351 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [0,0,1,0,0,0|2,0,0]=3 352 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [0,0,1,0,0,0|3,0,0]=4 353 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [0,0,1,0,0,0|3,0,0]=4 354 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [0,0,1,0,0,0|3,0,0]=4 355 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [0,0,1,0,0,0|3,0,0]=4 356 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [0,0,1,0,0,0|1,0,2]=4 357 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [0,0,1,0,0,0|2,0,0]=3 358 B10R1.61 c1cnnc(c1C(=O)O)O AB76276 [0,0,1,0,0,0|3,0,0]=4 359 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,0,0,0,0,1|2,0,1]=4 360 B12R2.24 Cc1cnc2ccccc2n1 CB10047 [0,0,0,0,0,1|3,0,0]=4 361 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [0,0,0,0,0,1|3,0,0]=4 362 B12R2.24 c1cc2c(cnc(n2)Cl)nc1 PB28512 [0,0,0,0,0,1|3,0,0]=4 363 B12R2.24 c1cc2c(nc1)OCC(=O)C2 AB74015 [0,0,0,0,0,1|2,0,1]=4 364 B12R2.24 c1cc2cnc(nc2nc1)Cl PB31117 [0,0,0,0,0,1|3,0,0]=4 365 B12R2.24 c1cc2cnccc2cc1O AB19117 [0,0,0,0,0,1|3,0,0]=4 366 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,0,0,0,0,1|1,0,2]=4 367 B12R2.24 c1ccc2c(c1)CC(CO2)N AB18483 [0,0,0,0,0,1|2,0,1]=4 368 B12R2.24 c1ccc2c(c1)C[C@@H](CO2)N AB56580 [0,0,0,0,0,1|2,0,1]=4 369 B12R2.24 c1ccc2c(c1)C[C@H](CO2)N AB56598 [0,0,0,0,0,1|2,0,1]=4 370 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,0,0,0,0,1|1,0,1]=3 371 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [0,0,0,0,0,1|2,0,1]=4 372 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [0,0,0,0,0,1|1,0,2]=4 373 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [0,0,0,0,0,1|3,0,0]=4 374 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [0,0,0,0,0,1|3,0,0]=4 375 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [0,0,0,0,0,1|3,0,0]=4 376 B12R2.24 c1ccc2c(c1)cnc(n2)Cl AB55617 [0,0,0,0,0,1|2,0,0]=3 377 B12R2.24 c1ccc2c(c1)cnc(n2)N AB07784 [0,0,0,0,0,1|2,0,0]=3 378 B12R2.24 c1ccc2c(c1)ncc(n2)Br AB31889 [0,0,0,0,0,1|3,0,0]=4 379 B12R2.24 c1ccc2c(c1)ncc(n2)N MB00639 [0,0,0,0,0,1|3,0,0]=4 380 B12R2.24 c1ccc2cnc(cc2c1)Br PB12162 [0,0,0,0,0,1|2,0,0]=3 381 B12R2.24 c1ccc2cnc(cc2c1)Cl PB18703 [0,0,0,0,0,1|2,0,0]=3 382 B12R2.24 c1ccc2cnc(cc2c1)N AB03416 [0,0,0,0,0,1|2,0,0]=3 383 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [0,0,0,0,0,1|1,0,0]=2 384 B12R2.24 c1cncc2c1cnc(n2)Cl PB11204 [0,0,0,0,0,1|3,0,0]=4 385 B12R2.1081 c1cc2c(c(ncn2)Cl)nc1 PB22412 [0,0,0,0,0,1|3,0,0]=4 386 B12R2.1081 c1cc2c(ccnc2Br)nc1 MB01013 [0,0,0,0,0,1|3,0,0]=4 387 B12R2.1081 c1cc2c(ccnc2Cl)nc1 PB32262 [0,0,0,0,0,1|3,0,0]=4 388 B12R2.1081 c1cc2c(ccnc2N)nc1 AB54489 [0,0,0,0,0,1|3,0,0]=4 389 B12R2.1081 c1cc2c(nc1)C(=O)COC2 AB74027 [0,0,0,0,0,1|2,0,1]=4 390 B12R2.1081 c1cc2c(nc1)OCCC2=O AB52763 [0,0,0,0,0,1|2,0,1]=4 391 B12R2.1081 c1cc2c(nc1)ncnc2Cl PB26181 [0,0,0,0,0,1|3,0,0]=4 392 B12R2.1081 c1cc2ccnc(c2nc1)Br AB65459 [0,0,0,0,0,1|3,0,0]=4 393 B12R2.1081 c1cc2ccnc(c2nc1)Cl AB45031 [0,0,0,0,0,1|3,0,0]=4 394 B12R2.1081 c1cc2ccnc(c2nc1)N AB08899 [0,0,0,0,0,1|3,0,0]=4 395 B12R2.1081 c1cc2ccncc2c(c1)O AB06640 [0,0,0,0,0,1|3,0,0]=4 396 B12R2.1081 c1cc2cncc(c2nc1)Br PB12160 [0,0,0,0,0,1|3,0,0]=4 397 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [0,0,0,0,0,1|2,0,1]=4 398 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [0,0,0,0,0,1|1,0,1]=3 399 B12R2.1081 c1ccc2c(c1)C(=O)CN=N2 MB06564 [0,0,0,0,0,1|1,0,1]=3 400 B12R2.1081 c1ccc2c(c1)C(CCO2)N AB06995 [0,0,0,0,0,1|2,0,1]=4 401 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [0,0,0,0,0,1|1,0,2]=4 402 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [0,0,0,0,0,1|2,0,1]=4 403 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [0,0,0,0,0,1|1,0,2]=4 404 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [0,0,0,0,0,1|1,0,1]=3 405 B12R2.1081 c1ccc2c(c1)COCC2N PB29671 [0,0,0,0,0,1|2,0,1]=4 406 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [0,0,0,0,0,1|1,0,1]=3 407 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N AB45531 [0,0,0,0,0,1|2,0,1]=4 408 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N AB29090 [0,0,0,0,0,1|2,0,1]=4 409 B12R2.1081 c1ccc2c(c1)c(ccn2)Br AB42051 [0,0,0,0,0,1|3,0,0]=4 410 B12R2.1081 c1ccc2c(c1)c(ccn2)N AB06141 [0,0,0,0,0,1|3,0,0]=4 411 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl AB04999 [0,0,0,0,0,1|2,0,0]=3 412 B12R2.1081 c1ccc2c(c1)c(ncn2)N AB03303 [0,0,0,0,0,1|2,0,0]=3 413 B12R2.1081 c1ccc2c(c1)ccnc2Cl AB01423 [0,0,0,0,0,1|2,0,0]=3 414 B12R2.1081 c1ccc2c(c1)ccnc2I AB05244 [0,0,0,0,0,1|2,0,0]=3 415 B12R2.1081 c1ccc2c(c1)cncc2Br AB00815 [0,0,0,0,0,1|2,0,0]=3 416 B12R2.1081 c1ccc2c(c1)cncc2O AB05248 [0,0,0,0,0,1|1,0,0]=2 417 B12R2.1081 c1ccc2c(c1)cnnc2Cl AB01425 [0,0,0,0,0,1|2,0,0]=3 418 B12R2.1081 c1ccc2c(c1)cnnc2O AB03574 [0,0,0,0,0,1|1,0,0]=2 419 B12R2.1081 c1cnc(c2c1cncc2)Br AB65462 [0,0,0,0,0,1|3,0,0]=4 420 B12R2.1081 c1cnc(c2c1cncc2)Cl AB09607 [0,0,0,0,0,1|3,0,0]=4 421 B12R2.1081 c1cnc(c2c1cncc2)N AB64136 [0,0,0,0,0,1|3,0,0]=4 422 B12R2.1081 c1cncc2c1OCCC2=O AB68939 [0,0,0,0,0,1|2,0,1]=4 423 B12R2.1081 c1cncc2c1c(cnc2)Br AB73848 [0,0,0,0,0,1|3,0,0]=4 424 B12R2.1081 c1cncc2c1c(ncn2)Cl PB19089 [0,0,0,0,0,1|3,0,0]=4 425 B12R2.1081 c1cncc2c1ccnc2Cl PB30637 [0,0,0,0,0,1|3,0,0]=4 426 B12R2.1081 c1cncc2c1ncnc2Cl PB22331 [0,0,0,0,0,1|3,0,0]=4 427 B9R1.6 B(c1cccnc1)(O)O AB17635 [1,0,1,0,0,0|2,0,0]=4 428 B9R1.6 B(c1cccnc1)(O)O PB14187 [1,0,1,0,0,0|2,0,0]=4 429 B9R1.6 B(c1ccncc1)(O)O AB23111 [1,0,1,0,0,0|2,0,0]=4 430 B9R1.6 B(c1ccncc1)(O)O PB29133 [1,0,1,0,0,0|2,0,0]=4 431 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,0,1,0,0,0|1,0,0]=3 432 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [1,0,1,0,0,0|2,0,0]=4 433 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [1,0,1,0,0,0|1,0,1]=4 434 B9R1.6 c1cnccc1C(=N)N MB02852 [1,0,1,0,0,0|2,0,0]=4 435 B9R1.6 c1cnccc1C(=O)O AB00757 [1,0,1,0,0,0|1,0,1]=4 436 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,1,0,0,0|2,0,0]=4 437 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,1,0,0,0|0,0,0]=2 438 B9R1.8 c1cnc(cn1)\C=N\O AB84941 [1,0,1,0,0,0|2,0,0]=4 439 B9R1.15 COc1c(cccn1)O AB06074 [1,0,1,0,0,0|2,0,0]=4 440 B9R1.15 COc1cccnc1O AB43293 [1,0,1,0,0,0|2,0,0]=4 441 B9R1.15 COc1ccncc1O MB09117 [1,0,1,0,0,0|2,0,0]=4 442 B9R1.15 COc1cnccc1O MB25455 [1,0,1,0,0,0|2,0,0]=4 443 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,0,1,0,0,0|1,0,1]=4 444 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,0,1,0,0,0|1,0,1]=4 445 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [1,0,1,0,0,0|1,0,1]=4 446 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,0,1,0,0,0|1,0,1]=4 447 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,0,1,0,0,0|1,0,1]=4 448 B9R1.15 c1ccc(c(c1)CI)O MB07048 [1,0,1,0,0,0|1,0,1]=4 449 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,0,1,0,0,0|0,0,2]=4 450 B9R1.15 c1cncc(c1C=O)O AB08714 [1,0,1,0,0,0|1,0,1]=4 451 B9R1.15 c1cncc(c1O)C=O AB59870 [1,0,1,0,0,0|1,0,1]=4 452 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,1,1,0,0,0|1,0,1]=4 453 B11R1.36 B(C(=C)c1ccccc1)(O)O AB08051 [0,1,1,0,0,0|2,0,0]=4 454 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [0,1,1,0,0,0|2,0,0]=4 455 B11R1.222 c1ccc(c(c1)\C(=N\O)\Cl)Cl AB10513 [0,1,1,0,0,0|1,0,0]=3 456 B11R1.37 COc1cc(ccc1C=O)Br AB44855 [0,1,1,0,0,0|1,0,1]=4 457 B11R1.37 COc1ccc(cc1C=O)I AB20799 [0,1,1,0,0,0|1,0,1]=4 458 B11R1.37 COc1ccc(cc1CO)Br MB00140 [0,1,1,0,0,0|1,0,1]=4 459 B11R1.41 COc1ccccc1CC=O AB02842 [0,1,1,0,0,0|1,0,1]=4 460 B11R1.53 B(c1ccccc1OC)(O)O AB05344 [0,1,1,0,0,0|2,0,0]=4 461 B11R1.53 COc1c(cccn1)C(=O)O PB18444 [0,1,1,0,0,0|2,0,0]=4 462 B11R1.53 COc1ccccc1C(=N)N AB27551 [0,1,1,0,0,0|2,0,0]=4 463 B11R1.53 COc1ccccc1C(=S)N AB21279 [0,1,1,0,0,0|1,1,0]=4 464 B11R1.53 COc1cccnc1C(=O)O MB04405 [0,1,1,0,0,0|2,0,0]=4 465 B11R1.53 COc1ccncc1C(=O)O AB20474 [0,1,1,0,0,0|2,0,0]=4 466 B11R1.53 COc1cnccc1C(=O)O AB32050 [0,1,1,0,0,0|2,0,0]=4 467 B11R1.265 COc1c(cccc1O)C=O MB03871 [0,1,1,0,0,0|1,0,1]=4 468 B11R1.265 COc1cccc(c1C=O)Br MB05120 [0,1,1,0,0,0|1,0,1]=4 469 B11R1.265 COc1cccc(c1C=O)I AB18152 [0,1,1,0,0,0|1,0,1]=4 470 B11R1.265 Cc1cccc(c1C=O)OC MB05932 [0,1,1,0,0,0|1,0,1]=4 471 B11R1.156 Cc1c(c(ccn1)O)C(=O)O AB66885 [0,1,1,0,0,0|2,0,0]=4 472 B11R1.156 Cc1cccc(c1C(=O)N)O MB23485 [0,1,1,0,0,0|0,0,2]=4 473 B11R1.156 Cc1cccc(c1C(=O)O)O MB01720 [0,1,1,0,0,0|1,0,0]=3 474 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl MB01394 [0,1,1,0,0,0|2,0,0]=4 475 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F PB24723 [0,1,1,0,0,0|2,0,0]=4 476 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)O MB13463 [0,1,1,0,0,0|1,0,0]=3 477 B11R1.156 c1cc(c(c(c1)Cl)C(=N)N)F AB18302 [0,1,1,0,0,0|2,0,0]=4 478 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)O MB31636 [0,1,1,0,0,0|0,0,2]=4 479 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O MB08537 [0,1,1,0,0,0|1,0,0]=3 480 B11R1.156 c1cc(c(c(c1)F)C(=N)N)F AB18297 [0,1,1,0,0,0|2,0,0]=4 481 B11R1.156 c1cc(c(c(c1)F)C(=O)N)O MB25665 [0,1,1,0,0,0|0,0,2]=4 482 B11R1.156 c1cc(c(c(c1)I)C(=O)N)O MB38290 [0,1,1,0,0,0|0,0,2]=4 483 B11R1.156 c1cc(c(c(c1)O)C(=O)N)N MB25426 [0,1,1,0,0,0|0,0,2]=4 484 B11R1.156 c1cc(c(c(c1)O)C(=O)O)N MB25644 [0,1,1,0,0,0|1,0,0]=3 485 B11R1.159 B(c1cccc(c1O)C)(O)O AB48273 [0,1,1,0,0,0|2,0,0]=4 486 B11R1.159 B(c1cccc(c1O)Cl)(O)O AB48275 [0,1,1,0,0,0|2,0,0]=4 487 B11R1.159 B(c1cccc(c1O)F)(O)O AB42638 [0,1,1,0,0,0|2,0,0]=4 488 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [0,1,1,0,0,0|1,0,1]=4 489 B11R1.159 Cc1cccc(c1N)C(=O)O AB00891 [0,1,1,0,0,0|2,0,0]=4 490 B11R1.159 Cc1cccc(c1O)C(=O)N MB01077 [0,1,1,0,0,0|0,0,2]=4 491 B11R1.159 c1c(c(c(cn1)Cl)O)C(=O)O AB74884 [0,1,1,0,0,0|2,0,0]=4 492 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O PB18506 [0,1,1,0,0,0|2,0,0]=4 493 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O AB15588 [0,1,1,0,0,0|2,0,0]=4 494 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)N MB00430 [0,1,1,0,0,0|0,0,2]=4 495 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=N)N AB18396 [0,1,1,0,0,0|2,0,0]=4 496 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O AB01929 [0,1,1,0,0,0|2,0,0]=4 497 B11R1.159 c1cc(c(c(c1)Cl)I)C(=O)O AB30453 [0,1,1,0,0,0|2,0,0]=4 498 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O AB03731 [0,1,1,0,0,0|2,0,0]=4 499 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)N MB08413 [0,1,1,0,0,0|0,0,2]=4 500 B11R1.159 c1cc(c(c(c1)F)F)C(=N)N AB18344 [0,1,1,0,0,0|2,0,0]=4 501 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AB09241 [0,1,1,0,0,0|2,0,0]=4 502 B11R1.159 c1cc(c(c(c1)F)O)C(=O)N MB25617 [0,1,1,0,0,0|0,0,2]=4 503 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AB04085 [0,1,1,0,0,0|1,0,0]=3 504 B11R1.159 c1cc(c(c(c1)I)O)C(=O)N MB33272 [0,1,1,0,0,0|0,0,2]=4 505 B11R1.159 c1cc(c(c(c1)I)O)C(=O)O MB25549 [0,1,1,0,0,0|1,0,0]=3 506 B11R1.159 c1cc(c(c(c1)N)O)C(=O)N MB25600 [0,1,1,0,0,0|0,0,2]=4 507 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O AB01026 [0,1,1,0,0,0|1,0,0]=3 508 B11R1.159 c1cc(c(c(c1)O)Br)C(=O)O MB08513 [0,1,1,0,0,0|2,0,0]=4 509 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)O AB50521 [0,1,1,0,0,0|2,0,0]=4 510 B11R1.159 c1cc(c(c(c1)O)F)C(=O)O AB10200 [0,1,1,0,0,0|2,0,0]=4 511 B11R1.159 c1cc(c(c(c1)O)I)C(=O)O MB26583 [0,1,1,0,0,0|2,0,0]=4 512 B11R1.159 c1cnc(c(c1C(=O)O)O)Br AB69694 [0,1,1,0,0,0|2,0,0]=4 513 B11R1.159 c1cnc(c(c1C(=O)O)O)Cl AB14198 [0,1,1,0,0,0|2,0,0]=4 514 B11R1.159 c1cnc(c(c1Cl)O)C(=O)O AB76139 [0,1,1,0,0,0|2,0,0]=4 515 B11R1.166 B(c1ccc(cc1O)C)(O)O PB11677 [0,1,1,0,0,0|2,0,0]=4 516 B11R1.166 B(c1ccc(cc1O)F)(O)O AB20352 [0,1,1,0,0,0|2,0,0]=4 517 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [0,1,1,0,0,0|1,0,1]=4 518 B11R1.166 Cc1cc(c(cn1)C(=O)O)O AB17044 [0,1,1,0,0,0|2,0,0]=4 519 B11R1.166 Cc1cc(ccc1C(=N)N)Br AB18383 [0,1,1,0,0,0|2,0,0]=4 520 B11R1.166 Cc1ccc(c(c1)C)C(=N)N AB18393 [0,1,1,0,0,0|2,0,0]=4 521 B11R1.166 Cc1ccc(c(c1)Cl)C(=N)N AB18279 [0,1,1,0,0,0|2,0,0]=4 522 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [0,1,1,0,0,0|0,0,2]=4 523 B11R1.166 c1c(c(cnc1Br)C(=O)O)O AB72394 [0,1,1,0,0,0|2,0,0]=4 524 B11R1.166 c1c(c(cnc1Cl)C(=O)O)O AB69324 [0,1,1,0,0,0|2,0,0]=4 525 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AB05197 [0,1,1,0,0,0|2,0,0]=4 526 B11R1.166 c1cc(c(cc1Br)F)C(=N)N AB18335 [0,1,1,0,0,0|2,0,0]=4 527 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AB03858 [0,1,1,0,0,0|2,0,0]=4 528 B11R1.166 c1cc(c(cc1Br)N)C(=O)O MB02895 [0,1,1,0,0,0|2,0,0]=4 529 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [0,1,1,0,0,0|0,0,2]=4 530 B11R1.166 c1cc(c(cc1Cl)Cl)C(=N)N AB18390 [0,1,1,0,0,0|2,0,0]=4 531 B11R1.166 c1cc(c(cc1Cl)F)C(=N)N AB18342 [0,1,1,0,0,0|2,0,0]=4 532 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [0,1,1,0,0,0|0,0,2]=4 533 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AB02279 [0,1,1,0,0,0|2,0,0]=4 534 B11R1.166 c1cc(c(cc1F)Cl)C(=N)N AB18354 [0,1,1,0,0,0|2,0,0]=4 535 B11R1.166 c1cc(c(cc1F)F)C(=N)N AB18346 [0,1,1,0,0,0|2,0,0]=4 536 B11R1.166 c1cc(c(cc1F)F)C(=O)O AB01069 [0,1,1,0,0,0|2,0,0]=4 537 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [0,1,1,0,0,0|0,0,2]=4 538 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [0,1,1,0,0,0|0,0,2]=4 539 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [0,1,1,0,0,0|0,0,2]=4 540 B11R1.166 c1cc(c(cc1O)Br)C(=O)O MB28859 [0,1,1,0,0,0|2,0,0]=4 541 B11R1.166 c1cc(c(cc1O)I)C(=O)O MB31618 [0,1,1,0,0,0|2,0,0]=4 542 B11R1.166 c1cc(c(cc1O)N)C(=O)O MB00542 [0,1,1,0,0,0|2,0,0]=4 543 B11R1.167 B(c1cc(ccc1O)Br)(O)O AB03340 [0,1,1,0,0,0|2,0,0]=4 544 B11R1.167 B(c1cc(ccc1O)Cl)(O)O AB26500 [0,1,1,0,0,0|2,0,0]=4 545 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [0,1,1,0,0,0|1,0,1]=4 546 B11R1.167 Cc1cc(c(nc1)O)C(=O)O CB11521 [0,1,1,0,0,0|2,0,0]=4 547 B11R1.167 Cc1ccc(c(c1)C(=O)N)O MB00262 [0,1,1,0,0,0|0,0,2]=4 548 B11R1.167 Cc1ccc(cc1C(=N)N)F AB18355 [0,1,1,0,0,0|2,0,0]=4 549 B11R1.167 Cc1ccc(cc1C(=O)O)O CB11294 [0,1,1,0,0,0|2,0,0]=4 550 B11R1.167 c1c(c(cnc1Br)O)C(=O)O AB69281 [0,1,1,0,0,0|2,0,0]=4 551 B11R1.167 c1c(c(cnc1Cl)O)C(=O)O AB67788 [0,1,1,0,0,0|2,0,0]=4 552 B11R1.167 c1c(cnc(c1C(=O)O)O)Br PB32486 [0,1,1,0,0,0|2,0,0]=4 553 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl AB04751 [0,1,1,0,0,0|2,0,0]=4 554 B11R1.167 c1c(cnc(c1C(=O)O)O)F AB20976 [0,1,1,0,0,0|2,0,0]=4 555 B11R1.167 c1cc(c(cc1Br)C(=N)N)F AB18339 [0,1,1,0,0,0|2,0,0]=4 556 B11R1.167 c1cc(c(cc1Br)C(=O)O)F AB03871 [0,1,1,0,0,0|2,0,0]=4 557 B11R1.167 c1cc(c(cc1Cl)C(=N)N)F AB21302 [0,1,1,0,0,0|2,0,0]=4 558 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F AB06694 [0,1,1,0,0,0|2,0,0]=4 559 B11R1.167 c1cc(c(cc1F)C(=N)N)F AB18322 [0,1,1,0,0,0|2,0,0]=4 560 B11R1.167 c1cc(c(cc1F)C(=O)N)O MB12068 [0,1,1,0,0,0|0,0,2]=4 561 B11R1.167 c1cc(c(cc1F)C(=O)O)Br AB03824 [0,1,1,0,0,0|2,0,0]=4 562 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl AB04161 [0,1,1,0,0,0|2,0,0]=4 563 B11R1.167 c1cc(c(cc1I)C(=O)N)O MB04152 [0,1,1,0,0,0|0,0,2]=4 564 B11R1.167 c1cc(c(cc1I)C(=O)O)Br CB10208 [0,1,1,0,0,0|2,0,0]=4 565 B11R1.167 c1cc(c(cc1N)C(=O)N)O MB13625 [0,1,1,0,0,0|0,0,2]=4 566 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl CB10057 [0,1,1,0,0,0|2,0,0]=4 567 B11R1.167 c1cc(c(cc1O)C(=O)O)Br MB04161 [0,1,1,0,0,0|2,0,0]=4 568 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl CB10774 [0,1,1,0,0,0|2,0,0]=4 569 B11R1.167 c1cc(c(cc1O)C(=O)O)I MB01071 [0,1,1,0,0,0|2,0,0]=4 570 B11R2.10 Cn1cc2ccccc2n1 PB15684 [1,1,0,0,0,0|1,0,1]=4 571 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [1,1,0,0,0,0|1,0,0]=3 572 B11R2.10 c1ccc2c(c1)nc(o2)Cl AB00524 [1,1,0,0,0,0|2,0,0]=4 573 B11R2.36 C1C=C(C=C2C1=NN=C2)Br PB14191 [1,1,0,0,0,0|1,0,1]=4 574 B11R2.36 C1C=C(C=C2C1=NN=C2)Cl PB25912 [1,1,0,0,0,0|1,0,1]=4 575 B11R2.36 C1C=C(C=C2C1=NN=C2)F PB29333 [1,1,0,0,0,0|1,0,1]=4 576 B11R2.36 C1C=C(C=C2C1=NN=C2)I PB10471 [1,1,0,0,0,0|1,0,1]=4 577 B11R2.36 C1C=C(C=C2C1=NN=C2)N AB01685 [1,1,0,0,0,0|1,0,1]=4 578 B11R2.36 C1C=C(C=C2C1=NN=C2)O PB14272 [1,1,0,0,0,0|1,0,1]=4 579 B11R2.36 CC1=CC2C=NN=C2C=C1 MB01911 [1,1,0,0,0,0|1,0,1]=4 580 B11R2.36 Cc1ccc2c(c1)N=NC2 MB04939 [1,1,0,0,0,0|1,0,1]=4 581 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [1,1,0,0,0,0|1,0,0]=3 582 B11R2.36 c1cc(cc2c1cco2)Br PB12534 [1,1,0,0,0,0|1,0,0]=3 583 B11R2.36 c1cc(cc2c1cco2)N MB09331 [1,1,0,0,0,0|1,0,0]=3 584 B11R2.36 c1cc(cc2c1cco2)O MB06436 [1,1,0,0,0,0|1,0,0]=3 585 B11R2.36 c1cc(cc2c1ccs2)Br MB09702 [1,1,0,0,0,0|1,1,0]=4 586 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [1,1,0,0,0,0|1,0,1]=4 587 B11R2.36 c1cc2c(cc1Br)cno2 AB26012 [1,1,0,0,0,0|0,0,0]=2 588 B11R2.36 c1cc2c(cc1Br)con2 MB19408 [1,1,0,0,0,0|2,0,0]=4 589 B11R2.36 c1cc2c(cc1Br)nco2 AB13423 [1,1,0,0,0,0|2,0,0]=4 590 B11R2.36 c1cc2c(cc1Br)ocn2 AB13141 [1,1,0,0,0,0|2,0,0]=4 591 B11R2.36 c1cc2c(cc1Cl)cns2 MB19427 [1,1,0,0,0,0|0,1,0]=3 592 B11R2.36 c1cc2c(cc1Cl)con2 MB03067 [1,1,0,0,0,0|2,0,0]=4 593 B11R2.36 c1cc2c(cc1Cl)ocn2 AB49155 [1,1,0,0,0,0|2,0,0]=4 594 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [1,1,0,0,0,0|1,0,1]=4 595 B11R2.36 c1cc2c(cc1F)nco2 AB45629 [1,1,0,0,0,0|2,0,0]=4 596 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [1,1,0,0,0,0|1,0,1]=4 597 B11R2.36 c1cc2c(cc1N)cno2 AB70278 [1,1,0,0,0,0|0,0,0]=2 598 B11R2.36 c1cc2c(cc1N)nco2 AB21693 [1,1,0,0,0,0|2,0,0]=4 599 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [1,1,0,0,0,0|0,0,0]=2 600 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [1,1,0,0,0,0|1,0,0]=3 601 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [1,1,0,0,0,0|1,0,0]=3 602 B11R2.36 c1cc2c(cco2)cc1F AB43937 [1,1,0,0,0,0|1,0,0]=3 603 B11R2.36 c1cc2c(cco2)cc1N AB20798 [1,1,0,0,0,0|1,0,0]=3 604 B11R2.36 c1cc2c(cco2)cc1O MB08821 [1,1,0,0,0,0|1,0,0]=3 605 B11R2.36 c1cc2c(ccs2)cc1Br PB18576 [1,1,0,0,0,0|1,1,0]=4 606 B11R2.36 c1cc2cnoc2cc1Br AB25994 [1,1,0,0,0,0|0,0,0]=2 607 B11R2.36 c1cc2cnoc2cc1Cl AB25992 [1,1,0,0,0,0|0,0,0]=2 608 B11R2.36 c1cc2cnoc2cc1N AB26008 [1,1,0,0,0,0|0,0,0]=2 609 B11R2.36 c1cc2cnsc2cc1Br MB19419 [1,1,0,0,0,0|0,1,0]=3 610 B11R2.36 c1cc2cnsc2cc1Cl MB19415 [1,1,0,0,0,0|0,1,0]=3 611 B11R2.36 c1cc2conc2cc1Br MB19398 [1,1,0,0,0,0|2,0,0]=4 612 B11R2.36 c1cc2conc2cc1Cl MB19396 [1,1,0,0,0,0|2,0,0]=4 613 B11R2.36 c1cc2nncn2cc1Br PB10571 [1,1,0,0,0,0|2,0,0]=4 614 B11R2.36 c1cn2c(cc1Br)cnn2 MB09890 [1,1,0,0,0,0|2,0,0]=4 615 B11R2.36 c1cn2cnnc2cc1Br PB16252 [1,1,0,0,0,0|2,0,0]=4 616 B11R2.36 c1coc2c1cc(cn2)N PB28491 [1,1,0,0,0,0|2,0,0]=4 617 B11R2.106 C1=C2C(=CN=N2)C(=O)N=C1 MB69220 [1,1,0,0,0,0|2,0,0]=4 618 B11R2.106 C1C=CC(=C2C1=NN=C2)Br PB12348 [1,1,0,0,0,0|1,0,1]=4 619 B11R2.106 C1C=CC(=C2C1=NN=C2)Cl PB29043 [1,1,0,0,0,0|1,0,1]=4 620 B11R2.106 C1C=CC(=C2C1=NN=C2)F PB12462 [1,1,0,0,0,0|1,0,1]=4 621 B11R2.106 C1C=CC(=C2C1=NN=C2)I PB27826 [1,1,0,0,0,0|1,0,1]=4 622 B11R2.106 C1C=CC(=C2C1=NN=C2)O PB22002 [1,1,0,0,0,0|1,0,1]=4 623 B11R2.106 CC1=C2C(=CN=N2)C=CC1 MB03490 [1,1,0,0,0,0|1,0,1]=4 624 B11R2.106 CC1=C2C=NN=C2C=CC1 MB03676 [1,1,0,0,0,0|1,0,1]=4 625 B11R2.106 Cc1cccc2c1occ2 MB00742 [1,1,0,0,0,0|1,0,0]=3 626 B11R2.106 c1cc(c2c(c1)N=NC2)N PB23340 [1,1,0,0,0,0|1,0,1]=4 627 B11R2.106 c1cc(c2c(c1)OCC2)N PB21917 [1,1,0,0,0,0|1,0,1]=4 628 B11R2.106 c1cc(c2ccoc2c1)N MB06879 [1,1,0,0,0,0|1,0,0]=3 629 B11R2.106 c1cc(c2ccoc2c1)O MB07641 [1,1,0,0,0,0|1,0,0]=3 630 B11R2.106 c1cc(c2nncn2c1)Br PB29098 [1,1,0,0,0,0|2,0,0]=4 631 B11R2.106 c1cc2c(c(c1)Br)ocn2 MB05566 [1,1,0,0,0,0|2,0,0]=4 632 B11R2.106 c1cc2c(c(c1)Cl)ocn2 MB20023 [1,1,0,0,0,0|2,0,0]=4 633 B11R2.106 c1cc2c(cco2)[n+](c1)[O-] CB11844 [1,1,0,0,0,0|2,0,0]=4 634 B11R2.106 c1cc2c(cco2)c(c1)Br PB17600 [1,1,0,0,0,0|1,0,0]=3 635 B11R2.106 c1cc2c(cco2)c(c1)F MB08828 [1,1,0,0,0,0|1,0,0]=3 636 B11R2.106 c1cc2c(ccs2)c(c1)Br PB20282 [1,1,0,0,0,0|1,1,0]=4 637 B11R2.106 c1cc2ccoc2c(c1)Br MB06925 [1,1,0,0,0,0|1,0,0]=3 638 B11R2.106 c1cc2ccoc2c(c1)N MB10414 [1,1,0,0,0,0|1,0,0]=3 639 B11R2.106 c1cc2ccsc2c(c1)Br AB25661 [1,1,0,0,0,0|1,1,0]=4 640 B11R2.106 c1cc2cncn2c(c1)Br AB28894 [1,1,0,0,0,0|2,0,0]=4 641 B11R2.106 c1cc2cncn2c(c1)I AB68521 [1,1,0,0,0,0|2,0,0]=4 642 B11R2.106 c1cc2nncn2c(c1)Br PB16306 [1,1,0,0,0,0|2,0,0]=4 643 B11R2.106 c1cnc(c2c1cco2)Cl PB14748 [1,1,0,0,0,0|2,0,0]=4 644 B11R2.106 c1cnc(c2c1cco2)N AB52921 [1,1,0,0,0,0|2,0,0]=4 645 B11R2.106 c1cnc(c2c1occ2)N AB52908 [1,1,0,0,0,0|2,0,0]=4 646 B11R2.106 c1cnc(c2c1onc2)Cl AB71663 [1,1,0,0,0,0|1,0,0]=3 647 B11R2.106 c1cnc2c(c1Cl)cco2 PB22970 [1,1,0,0,0,0|2,0,0]=4 648 B11R2.106 c1cnc2ccoc2c1Cl PB22739 [1,1,0,0,0,0|2,0,0]=4 649 B13R2.32 c1ccc2c(c1)c(=O)n(nn2)O CB10152 [0,1,0,0,0,1|2,0,0]=4 650 B13R2.32 c1ccc2c(c1)ccc(c2F)O MB69403 [0,1,0,0,0,1|2,0,0]=4 651 B13R2.32 c1ccc2c(c1)cnc(c2Br)N MB00823 [0,1,0,0,0,1|2,0,0]=4 652 B13R2.57 c1ccc2c(c1)C=C(CO2)C#N AB04718 [0,1,0,0,0,1|2,0,0]=4 653 B13R2.57 c1ccc2c(c1)C=C(CO2)C=O AB09669 [0,1,0,0,0,1|1,0,1]=4 654 B13R2.57 c1ccc2c(c1)NC(CO2)CO AB22218 [0,1,0,0,0,1|1,0,1]=4 655 B13R2.57 c1ccc2c(c1)cc(cn2)CO MB02778 [0,1,0,0,0,1|2,0,0]=4 656 B13R2.57 c1ccc2c(c1)cnc(n2)C=O AB60727 [0,1,0,0,0,1|1,0,1]=4 657 B13R2.57 c1ccc2c(c1)cnc(n2)CCl AB68878 [0,1,0,0,0,1|2,0,0]=4 658 B13R2.57 c1ccc2c(c1)cnc(n2)CN AB59130 [0,1,0,0,0,1|2,0,0]=4 659 B13R2.57 c1ccc2cnc(cc2c1)C=O AB23480 [0,1,0,0,0,1|1,0,1]=4 660 B13R2.57 c1ccc2cnc(cc2c1)CN AB23438 [0,1,0,0,0,1|2,0,0]=4 661 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [0,1,0,0,0,1|1,0,1]=4 662 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 AB09061 [0,1,0,0,0,1|1,0,1]=4 663 B13R2.155 c1cc2c(cc1Br)CC(=O)CO2 AB56614 [0,1,0,0,0,1|1,0,1]=4 664 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 AB06108 [0,1,0,0,0,1|1,0,1]=4 665 B13R2.155 c1cc2c(cc1Br)cc(cn2)O AB49950 [0,1,0,0,0,1|2,0,0]=4 666 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 AB56616 [0,1,0,0,0,1|1,0,1]=4 667 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AB04397 [0,1,0,0,0,1|1,0,1]=4 668 B13R2.155 c1cc2c(cc1F)CC(=O)CO2 AB56620 [0,1,0,0,0,1|1,0,1]=4 669 B13R2.155 c1cc2c(cc1F)NC(=O)CO2 AB14546 [0,1,0,0,0,1|1,0,1]=4 670 B13R2.155 c1cc2c(cc1I)NC(=O)CO2 MB04727 [0,1,0,0,0,1|1,0,1]=4 671 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AB64531 [0,1,0,0,0,1|1,0,1]=4 672 B13R2.155 c1cc2cnc(cc2cc1Br)N MB09260 [0,1,0,0,0,1|2,0,0]=4 673 B13R2.155 c1cc2cnc(nc2cc1Br)Cl PB10831 [0,1,0,0,0,1|2,0,0]=4 674 B13R2.155 c1cc2cnc(nc2cc1F)Cl CB11528 [0,1,0,0,0,1|2,0,0]=4 675 B13R2.155 c1cc2cnc(nc2cc1F)N CB11238 [0,1,0,0,0,1|2,0,0]=4 676 B13R2.162 Cc1cccc2c1NC(=O)CO2 AB65924 [0,1,0,0,0,1|1,0,1]=4 677 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)N MB09230 [0,1,0,0,0,1|1,0,1]=4 678 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)O MB08401 [0,1,0,0,0,1|1,0,1]=4 679 B13R2.162 c1cc2c(c(c1)Br)NC(=O)CO2 AB72665 [0,1,0,0,0,1|1,0,1]=4 680 B13R2.162 c1cc2c(c(c1)Cl)NC(=O)CO2 AB65030 [0,1,0,0,0,1|1,0,1]=4 681 B13R2.162 c1cc2cnc(nc2c(c1)Br)Cl PB34557 [0,1,0,0,0,1|2,0,0]=4 682 B13R2.328 Cc1nc2ccccc2c(n1)N AB05254 [0,1,0,0,0,1|2,0,0]=4 683 B13R2.328 c1ccc2c(c1)c(nc(n2)Br)Br MB08185 [0,1,0,0,0,1|2,0,0]=4 684 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl AB03291 [0,1,0,0,0,1|2,0,0]=4 685 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)N AB43584 [0,1,0,0,0,1|2,0,0]=4 686 B13R2.328 c1ccc2c(c1)c(nc(n2)N)Cl AB60762 [0,1,0,0,0,1|2,0,0]=4 687 B13R2.328 c1ccc2c(c1)cc(nc2Br)N CB10230 [0,1,0,0,0,1|2,0,0]=4 688 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl PB17073 [0,1,0,0,0,1|2,0,0]=4 689 B13R2.328 c1ccc2c(c1)nc(n[n+]2[O-])N MB00333 [0,1,0,0,0,1|2,0,0]=4 690 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [0,1,0,0,0,1|2,0,0]=4 691 B13R2.3683 Cc1ccc2c(c1)OCC(=O)C2 AB56631 [0,1,0,0,0,1|1,0,1]=4 692 B13R2.3683 Cc1ccc2c(c1)OCC(=O)N2 AB12998 [0,1,0,0,0,1|1,0,1]=4 693 B13R2.3683 Cc1ccc2c(c1)cnc(n2)N AB17885 [0,1,0,0,0,1|2,0,0]=4 694 B13R2.3683 Cc1ccc2c(c1)nnc(n2)N MB00344 [0,1,0,0,0,1|2,0,0]=4 695 B13R2.3683 c1cc(cc2c1cc(nc2)Br)Cl AB72948 [0,1,0,0,0,1|2,0,0]=4 696 B13R2.3683 c1cc(cc2c1cc(nc2)Cl)Br PB19116 [0,1,0,0,0,1|2,0,0]=4 697 B13R2.3683 c1cc(cc2c1cc(nc2)N)Br PB25313 [0,1,0,0,0,1|2,0,0]=4 698 B13R2.3683 c1cc(nc2c1cc(cc2)Br)O AB42143 [0,1,0,0,0,1|2,0,0]=4 699 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O CB10693 [0,1,0,0,0,1|2,0,0]=4 700 B13R2.3683 c1cc2c(cc1Br)OCC(=O)C2 AB56634 [0,1,0,0,0,1|1,0,1]=4 701 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 AB42341 [0,1,0,0,0,1|1,0,1]=4 702 B13R2.3683 c1cc2c(cc1Br)OCC(C2)O AB66841 [0,1,0,0,0,1|1,0,1]=4 703 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl PB14676 [0,1,0,0,0,1|2,0,0]=4 704 B13R2.3683 c1cc2c(cc1Br)cnc(n2)N AB17886 [0,1,0,0,0,1|2,0,0]=4 705 B13R2.3683 c1cc2c(cc1Br)ncc(n2)O AB56375 [0,1,0,0,0,1|2,0,0]=4 706 B13R2.3683 c1cc2c(cc1Br)nnc(n2)N MB09368 [0,1,0,0,0,1|2,0,0]=4 707 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)C2 AB56636 [0,1,0,0,0,1|1,0,1]=4 708 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)N2 AB12999 [0,1,0,0,0,1|1,0,1]=4 709 B13R2.3683 c1cc2c(cc1Cl)cnc(n2)N AB31778 [0,1,0,0,0,1|2,0,0]=4 710 B13R2.3683 c1cc2c(cc1Cl)nnc(n2)N MB00343 [0,1,0,0,0,1|2,0,0]=4 711 B13R2.3683 c1cc2c(cc1F)OCC(=O)C2 AB56639 [0,1,0,0,0,1|1,0,1]=4 712 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 AB42343 [0,1,0,0,0,1|1,0,1]=4 713 B13R2.3683 c1cc2c(cc1F)nnc(n2)N MB00339 [0,1,0,0,0,1|2,0,0]=4 714 B13R2.3683 c1cc2c(cc1I)OCC(=O)N2 MB04728 [0,1,0,0,0,1|1,0,1]=4 715 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 MB02829 [0,1,0,0,0,1|1,0,1]=4 716 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 MB11352 [0,1,0,0,0,1|1,0,1]=4 717 B13R2.3683 c1cc2c(cc1O)nnc(n2)N MB10248 [0,1,0,0,0,1|2,0,0]=4 718 B13R2.5179 Cc1cccc2c1OCC(=O)N2 AB53068 [0,1,0,0,0,1|1,0,1]=4 719 B13R2.5179 c1cc(c2c(c1)NC(=O)CO2)N MB08392 [0,1,0,0,0,1|1,0,1]=4 720 B13R2.5179 c1cc2c(c(c1)Br)OCC(=O)N2 AB50082 [0,1,0,0,0,1|1,0,1]=4 721 B13R2.5179 c1cc2c(c(c1)Cl)OCC(=O)N2 AB43540 [0,1,0,0,0,1|1,0,1]=4 722 B13R2.5179 c1cc2c(c(c1)F)OCC(=O)N2 AB53069 [0,1,0,0,0,1|1,0,1]=4 723 B13R2.5179 c1cc2c(c(c1)O)OCC(=O)N2 AB65028 [0,1,0,0,0,1|1,0,1]=4 724 B13R2.5179 c1cc2c(cnc(n2)Cl)c(c1)Br PB32901 [0,1,0,0,0,1|2,0,0]=4 725 B13R2.342 Cc1cccc2c1ccnc2Cl MB09763 [0,1,0,0,0,1|2,0,0]=4 726 B13R2.342 Cc1cccc2c1ccnc2O AB70070 [0,1,0,0,0,1|1,0,0]=3 727 B13R2.342 Cc1cccc2c1nccc2O AB05626 [0,1,0,0,0,1|2,0,0]=4 728 B13R2.342 c1cc2c(cccc2I)c(c1)O MB05554 [0,1,0,0,0,1|2,0,0]=4 729 B13R2.342 c1cc2c(ccnc2Cl)c(c1)Br AB48461 [0,1,0,0,0,1|2,0,0]=4 730 B13R2.342 c1cc2c(ccnc2Cl)c(c1)Cl AB64606 [0,1,0,0,0,1|2,0,0]=4 731 B13R2.342 c1cc2c(ccnc2N)c(c1)Br AB64053 [0,1,0,0,0,1|2,0,0]=4 732 B13R2.342 c1cc2c(ccnc2N)c(c1)Cl AB70043 [0,1,0,0,0,1|2,0,0]=4 733 B13R2.342 c1cc2c(ccnc2c(c1)Br)O AB05650 [0,1,0,0,0,1|2,0,0]=4 734 B13R2.342 c1cc2c(ccnc2c(c1)Cl)O AB05649 [0,1,0,0,0,1|2,0,0]=4 735 B13R2.371 Cc1c2ccccc2c(=O)[nH]n1 MB00345 [0,1,0,0,0,1|1,0,1]=4 736 B13R2.371 c1cc2c(cnc(c2nc1)O)Br PB16196 [0,1,0,0,0,1|2,0,0]=4 737 B13R2.371 c1ccc2c(c1)c(cnc2Br)Br MB01038 [0,1,0,0,0,1|2,0,0]=4 738 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Br MB01037 [0,1,0,0,0,1|2,0,0]=4 739 B13R2.371 c1ccc2c(c1)c(cnc2N)Br MB03465 [0,1,0,0,0,1|2,0,0]=4 740 B13R2.1613 COC1=NCCc2c1cccc2 AB52999 [0,1,0,0,0,1|1,0,0]=3 741 B13R2.1613 c1ccc2c(c1)c(ccn2)CO MB01636 [0,1,0,0,0,1|2,0,0]=4 742 B13R2.1613 c1ccc2c(c1)c(ncn2)C#N AB60723 [0,1,0,0,0,1|2,0,0]=4 743 B13R2.1613 c1ccc2c(c1)c(ncn2)C=O AB59129 [0,1,0,0,0,1|1,0,1]=4 744 B13R2.1613 c1ccc2c(c1)c(ncn2)CN AB49444 [0,1,0,0,0,1|2,0,0]=4 745 B13R2.1613 c1ccc2c(c1)ccnc2C#N AB03726 [0,1,0,0,0,1|2,0,0]=4 746 B13R2.1613 c1ccc2c(c1)ccnc2C=O AB28067 [0,1,0,0,0,1|1,0,1]=4 747 B13R2.1613 c1ccc2c(c1)ccnc2CCl AB51017 [0,1,0,0,0,1|2,0,0]=4 748 B13R2.1613 c1ccc2c(c1)ccnc2CN AB23405 [0,1,0,0,0,1|2,0,0]=4 749 B13R2.1613 c1ccc2c(c1)ccnc2NN AB52996 [0,1,0,0,0,1|2,0,0]=4 750 B13R2.1613 c1ccc2c(c1)cncc2C#N AB07795 [0,1,0,0,0,1|2,0,0]=4 751 B13R2.1613 c1ccc2c(c1)cncc2C=O MB01497 [0,1,0,0,0,1|1,0,1]=4 752 B13R2.1613 c1ccc2c(c1)cncc2CN AB28215 [0,1,0,0,0,1|2,0,0]=4 753 B13R2.4818 Cc1cccc2c1c(ncc2)Cl MB13685 [0,1,0,0,0,1|2,0,0]=4 754 B13R2.1 c1ccc2c(c1)c(no2)CCO AB44138 [0,2,0,0,0,0|0,0,0]=2 755 B13R2.72 B(C1=c2ccccc2=NC1)(O)O AB13389 [0,2,0,0,0,0|2,0,0]=4 756 B13R2.72 B(c1coc2c1cccc2)(O)O AB30080 [0,2,0,0,0,0|1,0,0]=3 757 B13R2.72 B(c1csc2c1cccc2)(O)O AB08320 [0,2,0,0,0,0|1,1,0]=4 758 B13R2.72 C1=CC2C(=NN=C2C(=O)O)C=C1 PB33857 [0,2,0,0,0,0|1,0,1]=4 759 B13R2.72 c1ccc2c(c1)C(CO2)C(=O)O AB45862 [0,2,0,0,0,0|1,0,1]=4 760 B13R2.72 c1ccc2c(c1)c(co2)C(=O)O AB07951 [0,2,0,0,0,0|1,0,0]=3 761 B13R2.72 c1ccc2c(c1)c(no2)C(=O)O AB26306 [0,2,0,0,0,0|0,0,0]=2 762 B13R2.72 c1ccc2c(c1)c(ns2)C(=O)O AB09662 [0,2,0,0,0,0|0,1,0]=3 763 B13R2.72 c1ccn2cnc(c2c1)C(=O)O PB32988 [0,2,0,0,0,0|2,0,0]=4 764 B13R2.135 Cn1c(c2ccccc2n1)CO PB14515 [0,2,0,0,0,0|1,0,1]=4 765 B13R2.662 C1C=C(C=C2C1=C(N=N2)CO)N AB54477 [0,2,0,0,0,0|1,0,1]=4 766 B13R2.662 COC1=NN=C2=C1C=CC(=C2)Br PB14062 [0,2,0,0,0,0|1,0,1]=4 767 B13R2.662 COC1=NN=C2=C1C=CC(=C2)N PB13945 [0,2,0,0,0,0|1,0,1]=4 768 B13R2.662 COc1c2ccc(cc2on1)Cl MB09688 [0,2,0,0,0,0|0,0,0]=2 769 B13R2.2091 COC1=NN=C2=CC=CC(=C21)Br PB31687 [0,2,0,0,0,0|1,0,1]=4 770 B13R2.2136 C1C=C(C=C2C1=NN=C2CO)F AB28690 [0,2,0,0,0,0|1,0,1]=4 771 B13R2.2136 COC1=NN=C2=C1C=C(C=C2)Br PB33147 [0,2,0,0,0,0|1,0,1]=4 772 B13R2.2136 Cc1ccc2c(c1)c(co2)C=O MB10419 [0,2,0,0,0,0|1,0,1]=4 773 B13R2.2136 c1cc2c(cc1Br)c(co2)C=O MB10418 [0,2,0,0,0,0|1,0,1]=4 774 B13R2.2931 CCn1c2ccccc2c(n1)C MB69284 [0,2,0,0,0,0|2,0,0]=4 775 B13R2.2931 Cc1c2ccccc2n(n1)CO MB14939 [0,2,0,0,0,0|2,0,0]=4 776 B13R2.2931 Cn1c2ccccc2c(n1)C=O PB10491 [0,2,0,0,0,0|1,0,1]=4 777 B13R2.2931 Cn1c2ccccc2c(n1)CO PB23553 [0,2,0,0,0,0|1,0,0]=3 778 B13R2.669 COc1ccc2c(c1)C(=O)CO2 AB45799 [0,2,0,0,0,0|1,0,1]=4 779 B13R2.669 COc1ccc2c(c1)C(=O)N=N2 AB60845 [0,2,0,0,0,0|1,0,1]=4 780 B13R2.669 COc1ccc2c(c1)c(no2)Cl AB72257 [0,2,0,0,0,0|1,0,0]=3 781 B13R2.3742 c1c(cc(c2c1C(=O)CO2)Cl)Cl MB06384 [0,2,0,0,0,0|1,0,1]=4 782 B13R2.3742 c1c(cc(c2c1C(=O)CO2)F)F MB06390 [0,2,0,0,0,0|1,0,1]=4 783 B13R2.5187 Cc1c2cc(ccc2n(n1)C)Br PB10990 [0,2,0,0,0,0|2,0,0]=4 784 B13R2.5187 Cc1c2cc(ccc2n(n1)C)N PB35036 [0,2,0,0,0,0|2,0,0]=4 785 B13R2.5187 Cc1c2ccc(cc2n(n1)C)Br PB20692 [0,2,0,0,0,0|2,0,0]=4 786 B13R2.5187 Cc1c2ccc(cc2n(n1)C)N PB19644 [0,2,0,0,0,0|2,0,0]=4 787 B13R2.5187 Cn1c2cc(ccc2c(n1)Br)N PB30014 [0,2,0,0,0,0|2,0,0]=4 788 B13R2.5187 Cn1c2cc(ccc2c(n1)Cl)Br MB19847 [0,2,0,0,0,0|2,0,0]=4 789 B13R2.5187 Cn1c2ccc(cc2c(n1)Br)N PB10871 [0,2,0,0,0,0|2,0,0]=4 790 B13R2.5187 Cn1c2ccc(cc2c(n1)Cl)Br MB19855 [0,2,0,0,0,0|2,0,0]=4 791 B13R2.11634 Cc1c2cc(c(cc2on1)F)N MB12240 [0,2,0,0,0,0|1,0,0]=3 792 B13R2.11634 Cc1c2cc(c(cc2on1)F)N MB14798 [0,2,0,0,0,0|1,0,0]=3 793 B13R2.573 COc1cccc2c1OCC2=O MB01147 [0,2,0,0,0,0|1,0,1]=4 794 B13R2.4857 Cc1c2c(cccc2Br)n(n1)C PB16475 [0,2,0,0,0,0|2,0,0]=4 795 B13R2.4857 Cc1c2cccc(c2n(n1)C)Br PB15045 [0,2,0,0,0,0|2,0,0]=4 796 B13R2.4857 Cn1c2c(cccc2N)c(n1)Br PB15981 [0,2,0,0,0,0|2,0,0]=4 797 B13R2.4857 Cn1c2c(cccc2N)c(n1)I PB28854 [0,2,0,0,0,0|2,0,0]=4 798 B13R2.4857 Cn1c2cccc(c2c(n1)Br)N PB28223 [0,2,0,0,0,0|2,0,0]=4 799 B13R2.11642 C1=C2C(=C(N=N2)O)C(=CC1N)Cl MB05009 [0,2,0,0,0,0|1,0,1]=4 800 B13R2.11642 C1=C2C(=C(N=N2)O)C(=CC1N)F PB15925 [0,2,0,0,0,0|1,0,1]=4 801 B13R2.2130 COc1ccc2c(c1)OCC2=O AB11637 [0,2,0,0,0,0|1,0,1]=4 802 B13R2.2130 COc1ccc2c(c1)onc2Cl AB72260 [0,2,0,0,0,0|1,0,0]=3 803 B9R1.11 C\C(=N/O)\c1ccsc1 AB55504 [0,0,1,0,1,0|2,0,0]=4 804 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [0,0,1,0,0,1|1,0,1]=4 805 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [0,0,1,0,0,1|2,0,0]=4 806 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [0,0,1,0,0,1|2,0,0]=4