0 B12R2.18 Cn1c2ccccc2nc1Cl AB07066 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.10 Cc1nc2c(o1)cccn2 AB21689 [1,0,0,0,0,0|2,0,1]=4 2 B11R2.10 c1c2c(ncn1)NC(=O)C2 PB13160 [1,0,0,0,0,0|2,0,0]=3 3 B11R2.10 c1cc2=NC(=O)N=c2nc1 AB06227 [1,0,0,0,0,0|0,0,2]=3 4 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [1,0,0,0,0,0|1,0,0]=2 5 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [1,0,0,0,0,0|1,0,0]=2 6 B11R2.10 c1cc2c(nc1)nc(o2)Cl AB63474 [1,0,0,0,0,0|2,0,1]=4 7 B11R2.10 c1cc2c(nc1)nc(o2)N AB63475 [1,0,0,0,0,0|2,0,1]=4 8 B11R2.10 c1cc2c(nc1)nc(s2)S AB04817 [1,0,0,0,0,0|1,1,1]=4 9 B11R2.10 c1cc2c(nc1)oc(n2)S AB65959 [1,0,0,0,0,0|1,1,1]=4 10 B11R2.10 c1cc2c(nc1)sc(n2)Br MB05754 [1,0,0,0,0,0|2,0,1]=4 11 B11R2.10 c1cc2c(nc1)sc(n2)Cl AB69999 [1,0,0,0,0,0|2,0,1]=4 12 B11R2.10 c1cc2c(nc1)sc(n2)N AB04928 [1,0,0,0,0,0|2,0,1]=4 13 B11R2.10 c1cc2c(nc1)sc(n2)S AB04404 [1,0,0,0,0,0|1,1,1]=4 14 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [1,0,0,0,0,0|2,0,0]=3 15 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.135 c1ccc2c(c1)C(C(=O)N2)CN AB28484 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.359 CC1(c2ccccc2NC1=O)C MB00789 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.359 c1cc2c(nc1)NC(=O)C2(F)F AB84775 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.359 c1ccc2c(c1)C(C(=O)N2)(F)F AB75832 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.3028 CN1c2cc(ccc2CC1=O)N PB27060 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.4825 CN1c2cccc(c2CC1=O)Br PB19105 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O AB07072 [0,1,0,0,0,0|2,0,1]=4 24 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O AB01335 [0,1,0,0,0,0|2,0,1]=4 25 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O AB09245 [0,1,0,0,0,0|2,0,1]=4 26 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O MB01744 [0,1,0,0,0,0|2,0,1]=4 27 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 AB15602 [0,1,0,0,0,0|2,0,1]=4 28 B13R2.4856 c1cc2c(c(c1)I)C(=O)C(=O)N2 MB02863 [0,1,0,0,0,0|2,0,1]=4 29 B13R2.5190 CN1c2ccc(cc2CC1=O)N PB12659 [0,1,0,0,0,0|3,0,0]=4 30 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O AB15604 [0,1,0,0,0,0|2,0,1]=4 31 B13R2.5190 c1cc2c(cc1I)NC(=O)C2=O MB02172 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB06681 [0,0,1,0,0,0|3,0,0]=4 33 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB12427 [0,0,1,0,0,0|3,0,0]=4 34 B11R1.36 c1cc(cnc1)[C@@H](C(=O)O)N AB30490 [0,0,1,0,0,0|3,0,0]=4 35 B11R1.36 c1cc(cnc1)[C@H](C(=O)O)N AB33298 [0,0,1,0,0,0|3,0,0]=4 36 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [0,0,1,0,0,0|3,0,0]=4 37 B13R2.328 CC1CC(=O)Nc2c1cccc2 MB08925 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.328 CN1CC(=O)Nc2c1cccc2 MB12301 [0,0,0,0,0,1|2,0,0]=3 39 B13R2.328 c1cc2c([nH]c(=O)oc2=O)nc1 CB11334 [0,0,0,0,0,1|1,0,1]=3 40 B13R2.328 c1cnc2=NC(=O)CC(=c2n1)O AB65791 [0,0,0,0,0,1|2,0,1]=4 41 B13R2.369 CC1C(=O)Nc2c(cccn2)O1 AB65764 [0,0,0,0,0,1|2,0,0]=3 42 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [0,0,0,0,0,1|3,0,0]=4 43 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [1,0,1,0,0,0|1,0,1]=4 45 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [1,0,1,0,0,0|1,0,1]=4 46 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.18 c1cc(nnc1)CC(=O)O PB14847 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.18 c1cnc(cn1)CC(=O)O PB10382 [1,0,1,0,0,0|2,0,0]=4 52 B10R1.18 c1cnc(nc1)CC(=O)O PB34087 [1,0,1,0,0,0|2,0,0]=4 53 B10R1.18 c1cnc(nc1)NC(=N)N AB52859 [1,0,1,0,0,0|2,0,0]=4 54 B10R1.18 c1cncnc1CC(=O)O PB21983 [1,0,1,0,0,0|2,0,0]=4 55 B10R1.20 COc1cccnc1C=O AB22246 [1,0,1,0,0,0|2,0,0]=4 56 B10R1.20 c1cc(c(nc1)C=O)C#N AB54498 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.61 CC(=O)c1cccnc1N AB11689 [1,0,1,0,0,0|2,0,0]=4 58 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [1,0,1,0,0,0|2,0,0]=4 59 B10R1.61 c1c(c(ncn1)N)C(=O)O AB02045 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [1,0,1,0,0,0|2,0,0]=4 62 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [1,0,1,0,0,0|2,0,0]=4 63 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [1,0,1,0,0,0|1,0,0]=3 64 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] PB19852 [1,0,1,0,0,0|0,0,2]=4 65 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [1,0,1,0,0,0|2,0,0]=4 66 B10R1.61 c1cnc(c(n1)C(=O)O)N AB00606 [1,0,1,0,0,0|2,0,0]=4 67 B10R2.7 c1cc2c(cco2)nc1 PB26741 [2,0,0,0,0,0|2,0,0]=4 68 B10R2.7 c1cc2c(ccs2)nc1 PB25371 [2,0,0,0,0,0|2,0,0]=4 69 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [2,0,0,0,0,0|1,0,1]=4 70 B10R2.7 c1cc2c(nc1)ncs2 MB10672 [2,0,0,0,0,0|1,0,1]=4 71 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [0,1,1,0,0,0|2,0,0]=4 72 B12R1.49 COC(=O)Nc1ccc(cn1)Br MB01437 [0,1,1,0,0,0|2,0,0]=4 73 B12R1.50 COC(=O)Nc1cccc(n1)Br MB11682 [0,1,1,0,0,0|2,0,0]=4 74 B12R2.2028 Cn1cc(c2c1nccc2)Br AB51141 [1,1,0,0,0,0|2,0,0]=4 75 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 PB23473 [1,1,0,0,0,0|2,0,0]=4 76 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 PB17281 [1,1,0,0,0,0|2,0,0]=4 77 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 AB15885 [1,1,0,0,0,0|2,0,0]=4 78 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 AB25436 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.202 c1cc2c(c(c1)F)CC(=O)N2 AB17595 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 AB11394 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.202 c1cc2c(c(c1)O)CC(=O)N2 AB13551 [1,1,0,0,0,0|2,0,0]=4 82 B12R2.202 c1cnc2c(c1Br)CC(=O)N2 AB65563 [1,1,0,0,0,0|1,0,0]=3 83 B12R2.202 c1cnc2c(c1Cl)CC(=O)N2 PB29827 [1,1,0,0,0,0|1,0,0]=3 84 B12R2.202 c1cnc2c(c1F)CC(=O)N2 PB11030 [1,1,0,0,0,0|1,0,0]=3 85 B12R2.202 c1cnc2c(c1N)CC(=O)N2 AB73878 [1,1,0,0,0,0|1,0,0]=3 86 B12R2.202 c1nc2c(c(n1)Cl)CC(=O)N2 PB22259 [1,1,0,0,0,0|2,0,0]=4 87 B12R2.606 Cc1ccc2c(n1)CC(=O)N2 AB66460 [1,1,0,0,0,0|1,0,0]=3 88 B12R2.606 Cc1ccc2c(n1)NC(=O)C2 AB73881 [1,1,0,0,0,0|1,0,0]=3 89 B12R2.606 c1c(cnc2=NC(=O)N=c21)Br AB07044 [1,1,0,0,0,0|0,0,2]=4 90 B12R2.606 c1c(cnc2=NC(=O)N=c21)Cl AB04967 [1,1,0,0,0,0|0,0,2]=4 91 B12R2.606 c1c(cnc2c1CC(=O)N2)Br PB18779 [1,1,0,0,0,0|1,0,0]=3 92 B12R2.606 c1c(cnc2c1CC(=O)N2)Cl PB30032 [1,1,0,0,0,0|1,0,0]=3 93 B12R2.606 c1c(cnc2c1CC(=O)N2)F PB30039 [1,1,0,0,0,0|1,0,0]=3 94 B12R2.606 c1c(cnc2c1NC(=O)C2)Br PB24075 [1,1,0,0,0,0|1,0,0]=3 95 B12R2.606 c1c(cnc2c1NC(=O)C2)Cl PB21798 [1,1,0,0,0,0|1,0,0]=3 96 B12R2.606 c1c(cnc2c1oc(=O)[nH]2)N AB65779 [1,1,0,0,0,0|1,0,0]=3 97 B12R2.606 c1c2c(nc(n1)Cl)NC(=O)C2 PB27851 [1,1,0,0,0,0|2,0,0]=4 98 B12R2.606 c1cc(nc2=NC(=O)N=c21)Cl AB26090 [1,1,0,0,0,0|0,0,2]=4 99 B12R2.606 c1cc(nc2c1CC(=O)N2)Br AB66483 [1,1,0,0,0,0|1,0,0]=3 100 B12R2.606 c1cc(nc2c1CC(=O)N2)Cl PB25399 [1,1,0,0,0,0|1,0,0]=3 101 B12R2.606 c1cc(nc2c1NC(=O)C2)Br PB10498 [1,1,0,0,0,0|1,0,0]=3 102 B12R2.606 c1cc(nc2c1NC(=O)C2)Cl PB22129 [1,1,0,0,0,0|1,0,0]=3 103 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 PB32208 [1,1,0,0,0,0|2,0,0]=4 104 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 PB24760 [1,1,0,0,0,0|2,0,0]=4 105 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 AB04636 [1,1,0,0,0,0|2,0,0]=4 106 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 AB04797 [1,1,0,0,0,0|2,0,0]=4 107 B12R2.606 c1cc2c(cc1F)CC(=O)N2 AB11374 [1,1,0,0,0,0|2,0,0]=4 108 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AB02036 [1,1,0,0,0,0|2,0,0]=4 109 B12R2.606 c1cc2c(cc1I)CC(=O)N2 MB06441 [1,1,0,0,0,0|2,0,0]=4 110 B12R2.606 c1cc2c(cc1N)CC(=O)N2 PB27577 [1,1,0,0,0,0|2,0,0]=4 111 B12R2.606 c1cc2c(cc1N)NC(=O)C2 PB17556 [1,1,0,0,0,0|2,0,0]=4 112 B12R2.606 c1cc2c(cc1O)NC(=O)C2 AB21813 [1,1,0,0,0,0|2,0,0]=4 113 B14R2.639 CC1(C(=O)Nc2c(cccn2)O1)C PB29767 [0,1,0,0,0,1|2,0,0]=4 114 B14R2.8239 CC1C(=O)Nc2c(ccc(n2)N)O1 AB55949 [0,1,0,0,0,1|2,0,0]=4 115 B14R2.4507 c1c(cnc2c1C(C(=O)N2)(F)F)Br AB84776 [0,2,0,0,0,0|2,0,0]=4 116 B14R2.4507 c1c(cnc2c1C(C(=O)N2)(F)F)Cl AB77188 [0,2,0,0,0,0|2,0,0]=4 117 B14R2.8716 Cc1ccc2c(c1)n(c(=O)n2C)C AB08012 [0,2,0,0,0,0|2,0,0]=4 118 B12R2.24 c1cc2c(nc1)CC(=O)NC2 AB77257 [0,0,1,1,0,0|2,0,0]=4 119 B12R2.24 c1cc2c(nc1)NC(=O)CC2 PB12351 [0,0,1,1,0,0|2,0,0]=4 120 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [0,0,1,1,0,0|2,0,0]=4 121 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,0,1,1,0,0|2,0,0]=4 122 B12R2.246 Cc1[nH]c-2nccc2c(n1)O AB20779 [0,0,0,0,1,1|2,0,0]=4 123 B14R2.287 c1cc2c(ccc(=O)nc2nc1)O AB43870 [0,0,0,0,0,2|1,0,1]=4