0 B14R2.28472 Cc1cccc2c1nc(c(c2)C)Cl AB42069 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.28472 Cc1cccc2c1nc(c(c2)C)N AB05779 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.162 Cc1ccc2cccc(c2n1)Br AB20867 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.162 Cc1cccc2c1NC(=O)CC2 MB01240 [1,0,0,0,0,0|0,0,2]=3 4 B13R2.162 Cc1cccc2c1NC(=O)CO2 AB65924 [1,0,0,0,0,0|1,0,1]=3 5 B13R2.162 Cc1cccc2c1nc(cc2)C AB01019 [1,0,0,0,0,0|1,0,1]=3 6 B13R2.162 Cc1ccnc2c1cc(cc2)Br AB49783 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)N MB09230 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)O MB08401 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.162 c1cc2c(c(c1)Br)NC(=O)CO2 AB72665 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.162 c1cc2c(c(c1)Cl)NC(=O)CO2 AB65030 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.162 c1cc2c(c(c1)O)NC(=O)CC2 AB22449 [1,0,0,0,0,0|1,0,2]=4 12 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br MB06618 [1,0,0,0,0,0|1,0,0]=2 13 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Cl MB10595 [1,0,0,0,0,0|1,0,0]=2 14 B13R2.162 c1cc2ccc(nc2c(c1)Br)Cl AB48778 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.162 c1cc2ccc(nc2c(c1)Br)N MB05228 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.162 c1cc2ccc(nc2c(c1)Cl)N AB44300 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.162 c1cc2ccc(nc2c(c1)O)N AB04263 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [1,0,0,0,0,0|1,0,2]=4 20 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.369 c1ccc2=NC(=O)C(=O)N=c2c1 AB06251 [1,0,0,0,0,0|1,0,2]=4 23 B13R2.369 c1ccc2=NC(=O)C(C=c2c1)Br MB06803 [1,0,0,0,0,0|1,0,2]=4 24 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br PB24640 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br PB20265 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [1,0,0,0,0,0|3,0,0]=4 28 B13R2.5179 c1cc2cc(cnc2c(c1)Br)I MB07196 [1,0,0,0,0,0|2,0,1]=4 29 B15R2.2039 CCc1cc2cccc(c2nc1N)C AB51680 [0,1,0,0,0,0|2,0,1]=4 30 B15R2.2039 Cc1cccc2c1nc(c(c2)C#N)Cl AB45103 [0,1,0,0,0,0|2,0,1]=4 31 B15R2.2039 Cc1cccc2c1nc(c(c2)CCl)Cl AB51941 [0,1,0,0,0,0|2,0,1]=4 32 B15R2.13612 Cc1cccc2c1nc(c(c2Cl)C)C AB50463 [0,1,0,0,0,0|2,0,1]=4 33 B15R2.13612 Cc1cccc2c1nc(c(c2O)C)C AB50459 [0,1,0,0,0,0|2,0,1]=4 34 B15R2.13981 Cc1cc2ccc(c(c2nc1Cl)C)Cl AB51642 [0,1,0,0,0,0|2,0,1]=4 35 B15R2.13981 Cc1cc2ccc(c(c2nc1N)C)Cl AB51782 [0,1,0,0,0,0|2,0,1]=4 36 B15R2.13981 Cc1ccc2cc(c(nc2c1C)Cl)C AB49572 [0,1,0,0,0,0|2,0,1]=4 37 B15R2.13981 Cc1ccc2cc(c(nc2c1C)N)C AB51664 [0,1,0,0,0,0|2,0,1]=4 38 B15R2.59733 Cc1cc(c2c(c1)cc(c(n2)Cl)C)C AB51902 [0,1,0,0,0,0|2,0,1]=4 39 B15R2.59733 Cc1cc(c2c(c1)cc(c(n2)N)C)C AB51657 [0,1,0,0,0,0|2,0,1]=4 40 B15R2.59733 Cc1cc2cc(cc(c2nc1Cl)C)Cl AB51633 [0,1,0,0,0,0|2,0,1]=4 41 B15R2.59733 Cc1cc2cc(cc(c2nc1N)C)Cl AB51727 [0,1,0,0,0,0|2,0,1]=4 42 B15R2.63633 Cc1ccc(c2c1cc(c(n2)Cl)C)C AB51894 [0,1,0,0,0,0|2,0,1]=4 43 B15R2.63633 Cc1ccc(c2c1cc(c(n2)N)C)C AB51653 [0,1,0,0,0,0|2,0,1]=4 44 B15R2.63633 Cc1ccc(c2c1nc(c(c2)C)Cl)Cl AB51619 [0,1,0,0,0,0|2,0,1]=4 45 B15R2.63633 Cc1ccc(c2c1nc(c(c2)C)N)Cl AB51698 [0,1,0,0,0,0|2,0,1]=4 46 B15R2.86973 CCc1cccc2c1nc(c(c2)C)Cl AB42061 [0,1,0,0,0,0|2,0,1]=4 47 B15R2.86973 CCc1cccc2c1nc(c(c2)C)N AB05782 [0,1,0,0,0,0|2,0,1]=4 48 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O AB07072 [0,0,0,0,1,0|1,0,1]=3 49 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O AB01335 [0,0,0,0,1,0|1,0,1]=3 50 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O AB09245 [0,0,0,0,1,0|1,0,1]=3 51 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O MB01744 [0,0,0,0,1,0|1,0,1]=3 52 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 AB15602 [0,0,0,0,1,0|2,0,1]=4 53 B13R2.4856 c1cc2c(c(c1)I)C(=O)C(=O)N2 MB02863 [0,0,0,0,1,0|2,0,1]=4 54 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [1,0,1,0,0,0|0,0,2]=4 55 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [1,0,1,0,0,0|2,0,0]=4 56 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [2,0,0,0,0,0|1,0,0]=3 58 B12R2.24 c1cc2cnccc2cc1O AB19117 [2,0,0,0,0,0|2,0,0]=4 59 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [2,0,0,0,0,0|1,0,1]=4 60 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [2,0,0,0,0,0|1,0,1]=4 61 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [2,0,0,0,0,0|1,0,1]=4 62 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [2,0,0,0,0,0|1,0,1]=4 63 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [2,0,0,0,0,0|1,0,1]=4 64 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [2,0,0,0,0,0|1,0,1]=4 65 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.1081 Cc1cccc2c1cncc2 MB06665 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.1081 c1cc2cccnc2c(c1)Br AB04626 [2,0,0,0,0,0|1,0,1]=4 68 B14R2.4513 Cc1ccc2ccc(c(c2n1)C)Cl AB52384 [1,1,0,0,0,0|1,0,1]=4 69 B14R2.4513 Cc1ccc2ccc(nc2c1C)C AB45157 [1,1,0,0,0,0|1,0,1]=4 70 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O PB17055 [1,1,0,0,0,0|2,0,0]=4 71 B14R2.8045 Cc1cccc2c1nc(cc2C)C AB05600 [1,1,0,0,0,0|1,0,1]=4 72 B14R2.8045 Cc1cccc2c1nc(cc2Cl)C AB05627 [1,1,0,0,0,0|1,0,1]=4 73 B14R2.8045 Cc1cccc2c1nc(cc2N)C AB46037 [1,1,0,0,0,0|1,0,1]=4 74 B14R2.8045 Cc1cccc2c1nc(cc2O)C AB03395 [1,1,0,0,0,0|1,0,1]=4 75 B14R2.8045 c1cc2c(c(c1)Br)[nH]c(=O)[nH]c2=O CB11387 [1,1,0,0,0,0|2,0,0]=4 76 B14R2.8045 c1cc2c(c(c1)Br)[nH]c(=O)oc2=O AB27773 [1,1,0,0,0,0|2,0,0]=4 77 B14R2.8235 Cc1cc(cc2c1[nH]c(=O)cc2)Br MB09777 [1,1,0,0,0,0|0,0,0]=2 78 B14R2.8235 Cc1ccc2cc(cc(c2n1)C)C AB51628 [1,1,0,0,0,0|1,0,1]=4 79 B14R2.8235 Cc1ccc2cc(cc(c2n1)C)Cl AB44505 [1,1,0,0,0,0|1,0,1]=4 80 B14R2.8751 Cc1ccc(c2c1NC(=O)CO2)N MB08919 [1,1,0,0,0,0|1,0,1]=4 81 B14R2.8751 Cc1ccc(c2c1ccc(n2)C)C AB51613 [1,1,0,0,0,0|1,0,1]=4 82 B14R2.8751 Cc1ccc(c2c1nc(cc2)C)Cl AB52226 [1,1,0,0,0,0|1,0,1]=4 83 B14R2.11684 CCc1cccc2c1nc(cc2)C AB52468 [1,1,0,0,0,0|1,0,1]=4 84 B14R2.11684 COc1cccc2c1NC(=O)CO2 MB11344 [1,1,0,0,0,0|1,0,1]=4 85 B14R2.28523 Cn1c(=O)ccc2c1c(ccc2)Br MB10242 [1,1,0,0,0,0|1,0,0]=3 86 B14R2.1128 c1ccc2c(c1)cc(c(n2)C=O)Br AB46109 [1,1,0,0,0,0|1,0,1]=4 87 B14R2.1128 c1ccc2c(c1)cc(c(n2)O)C=O AB11914 [1,1,0,0,0,0|2,0,0]=4 88 B14R2.8239 Cc1cc2ccc(cc2oc1=O)O AB50338 [1,1,0,0,0,0|2,0,0]=4 89 B14R2.1801 COc1ccc2c(c1)cccc2Br MB03398 [1,1,0,0,0,0|2,0,0]=4 90 B14R2.8620 Cc1ccc(c2c1NC(=O)C2=O)Br AB25936 [0,1,0,0,1,0|0,0,1]=3 91 B14R2.8620 c1cc(c2c(c1F)C(=O)C(=O)N2)F AB32099 [0,1,0,0,1,0|1,0,1]=4 92 B14R2.8737 c1cc(c(c2c1C(=O)C(=O)N2)F)F AB51167 [0,1,0,0,1,0|1,0,1]=4 93 B14R2.9184 Cc1cc2c(c(c1)Br)NC(=O)C2=O MB01226 [0,1,0,0,1,0|1,0,1]=4 94 B14R2.9184 c1c(cc(c2c1C(=O)C(=O)N2)F)F AB51119 [0,1,0,0,1,0|1,0,1]=4 95 B16R2.126889 Cc1cccc2c1nc(c(c2)C(=O)O)C AB06373 [0,2,0,0,0,0|1,0,1]=4 96 B14R2.4529 Cc1ccc2c(c1)cc(o2)C(=O)O MB02658 [0,0,1,1,0,0|1,0,0]=3 97 B14R2.4529 Cc1ccc2c(c1)nc(o2)C(=O)O AB57689 [0,0,1,1,0,0|2,0,0]=4 98 B14R2.4529 c1cc2c(cc1Br)cc(o2)C(=O)O MB00634 [0,0,1,1,0,0|2,0,0]=4 99 B14R2.4529 c1cc2c(cc1Cl)cc(o2)C(=O)O MB00499 [0,0,1,1,0,0|2,0,0]=4 100 B14R2.4529 c1cc2c(cc1F)cc(o2)C(=O)O MB06881 [0,0,1,1,0,0|2,0,0]=4 101 B14R2.7969 Cc1cccc2c1oc(c2)C(=O)O MB09960 [0,0,1,1,0,0|1,0,0]=3 102 B14R2.7969 c1cc2cc(oc2c(c1)Br)C(=O)O MB08955 [0,0,1,1,0,0|2,0,0]=4 103 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Br CB10378 [0,0,1,0,1,0|2,0,0]=4 104 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Cl AB24958 [0,0,1,0,1,0|2,0,0]=4 105 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)F AB28722 [0,0,1,0,1,0|2,0,0]=4 106 B12R2.202 Cc1cccc2=NC(=O)N=c12 AB44499 [1,0,0,0,1,0|1,0,1]=4 107 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 PB17281 [1,0,0,0,1,0|1,0,1]=4 108 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 AB25436 [1,0,0,0,1,0|1,0,1]=4 109 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 AB11394 [1,0,0,0,1,0|1,0,1]=4 110 B12R2.612 Cn1ccc2c1ncc(c2)O AB48843 [1,0,0,0,1,0|1,0,1]=4