0 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)Br MB06176 [0,0,0,0,0,0|2,1,1]=4 1 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)Cl MB02033 [0,0,0,0,0,0|2,1,1]=4 2 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)N AB09976 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)F AB51948 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.8239 Cc1cc2cc(ccc2nc1N)F AB05794 [0,0,0,0,0,0|4,0,0]=4 5 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)Br AB51952 [0,0,0,0,0,0|2,1,1]=4 6 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)Cl AB51955 [0,0,0,0,0,0|2,1,1]=4 7 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)F AB51968 [0,0,0,0,0,0|2,0,1]=3 8 B14R2.8239 Cc1cc2ccc(cc2nc1N)Br AB05830 [0,0,0,0,0,0|2,1,1]=4 9 B14R2.8239 Cc1cc2ccc(cc2nc1N)Cl AB05787 [0,0,0,0,0,0|2,1,1]=4 10 B14R2.8239 Cc1cc2ccc(cc2nc1N)F AB05796 [0,0,0,0,0,0|2,0,1]=3 11 B14R2.8239 Cc1cc2ccc(cc2oc1=O)O AB50338 [0,0,0,0,0,0|3,0,0]=3 12 B14R2.8239 Cc1ccc2cc(c(nc2c1)Cl)C AB11873 [0,0,0,0,0,0|3,0,1]=4 13 B14R2.8239 Cc1ccc2cc(c(nc2c1)N)C AB05775 [0,0,0,0,0,0|3,0,1]=4 14 B14R2.8239 c1cc2=NC(=O)C(=O)N=c2cc1Br MB07877 [0,0,0,0,0,0|1,1,2]=4 15 B14R2.8239 c1cc2c(cc1Cl)NC(=O)C(C2)N AB27601 [0,0,0,0,0,0|1,1,2]=4 16 B13R2.155 Cc1cc2c(ccc(=O)[nH]2)cn1 AB85046 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 AB09061 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.155 Cc1ccc2ccc(=O)[nH]c2c1 MB10586 [1,0,0,0,0,0|1,0,0]=2 20 B13R2.155 Cc1ccc2ccc(cc2n1)Br AB52370 [1,0,0,0,0,0|1,1,1]=4 21 B13R2.155 Cc1ccc2ccc(cc2n1)F AB12293 [1,0,0,0,0,0|1,0,1]=3 22 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Br MB07515 [1,0,0,0,0,0|0,1,0]=2 23 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Cl MB02526 [1,0,0,0,0,0|0,1,0]=2 24 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O MB03359 [1,0,0,0,0,0|1,0,0]=2 25 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br AB27609 [1,0,0,0,0,0|1,1,1]=4 26 B13R2.155 c1cc(cc2c1ccc(n2)N)Br MB05231 [1,0,0,0,0,0|1,1,1]=4 27 B13R2.155 c1cc(cc2c1ccc(n2)N)Cl MB10580 [1,0,0,0,0,0|1,1,1]=4 28 B13R2.155 c1cc(nc2c1ccc(n2)F)O AB45677 [1,0,0,0,0,0|1,0,2]=4 29 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 AB06108 [1,0,0,0,0,0|1,1,1]=4 30 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 AB09151 [1,0,0,0,0,0|1,1,0]=3 31 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AB04397 [1,0,0,0,0,0|1,1,1]=4 32 B13R2.155 c1cc2c(cc1F)CC(=O)CC2 AB17129 [1,0,0,0,0,0|1,0,2]=4 33 B13R2.155 c1cc2c(cc1F)CC(=O)CO2 AB56620 [1,0,0,0,0,0|2,0,1]=4 34 B13R2.155 c1cc2c(cc1F)NC(=O)CO2 AB14546 [1,0,0,0,0,0|1,0,1]=3 35 B13R2.155 c1cc2c(cc1I)NC(=O)CO2 MB04727 [1,0,0,0,0,0|1,1,1]=4 36 B13R2.155 c1cc2c(cc1N)NC(=O)CC2 MB04272 [1,0,0,0,0,0|1,0,2]=4 37 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 AB25068 [1,0,0,0,0,0|1,0,2]=4 38 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AB64531 [1,0,0,0,0,0|2,0,1]=4 39 B13R2.155 c1cc2cnc(nc2cc1F)Cl CB11528 [1,0,0,0,0,0|2,0,1]=4 40 B13R2.155 c1cc2cnc(nc2cc1F)N CB11238 [1,0,0,0,0,0|2,0,1]=4 41 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [1,0,0,0,0,0|2,0,1]=4 42 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [1,0,0,0,0,0|1,0,2]=4 43 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [1,0,0,0,0,0|3,0,0]=4 44 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [1,0,0,0,0,0|2,0,1]=4 45 B13R2.369 c1ccc2=NC(=O)C(=O)N=c2c1 AB06251 [1,0,0,0,0,0|1,0,2]=4 46 B13R2.369 c1ccc2=NC(=O)C(C=c2c1)Br MB06803 [1,0,0,0,0,0|1,0,2]=4 47 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br PB24640 [1,0,0,0,0,0|2,0,1]=4 48 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br PB20265 [1,0,0,0,0,0|2,0,1]=4 49 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [1,0,0,0,0,0|3,0,0]=4 50 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [1,0,0,0,0,0|3,0,0]=4 51 B13R2.3683 c1cc(cc2c1cc(cn2)Br)Cl CB11975 [1,0,0,0,0,0|1,1,1]=4 52 B13R2.3683 c1cc(cc2c1cc(cn2)Cl)Br CB11977 [1,0,0,0,0,0|1,1,1]=4 53 B13R2.3683 c1cc(cc2c1cc(cn2)N)Cl CB11980 [1,0,0,0,0,0|1,1,1]=4 54 B13R2.3683 c1cc(nc2c1cc(cc2)Br)O AB42143 [1,0,0,0,0,0|2,1,0]=4 55 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O CB10693 [1,0,0,0,0,0|2,1,0]=4 56 B13R2.3683 c1cc(nc2c1cc(cc2)F)Cl AB43963 [1,0,0,0,0,0|3,0,0]=4 57 B13R2.3683 c1cc(nc2c1cc(cc2)F)N AB31775 [1,0,0,0,0,0|3,0,0]=4 58 B13R2.3683 c1cc2c(cc1Br)ncc(n2)O AB56375 [1,0,0,0,0,0|1,1,1]=4 59 B15R2.1754 CCc1cc2ccc(cc2nc1N)F AB51678 [0,1,0,0,0,0|2,0,1]=4 60 B15R2.1754 c1cc(cc2c1cc(c(n2)Cl)C#N)F AB51971 [0,1,0,0,0,0|2,0,1]=4 61 B15R2.1754 c1cc(cc2c1cc(c(n2)Cl)C=O)F AB51974 [0,1,0,0,0,0|1,0,2]=4 62 B15R2.1754 c1cc(cc2c1cc(c(n2)Cl)CCl)F AB51936 [0,1,0,0,0,0|2,0,1]=4 63 B15R2.1824 c1cc2c(cc1F)cc(c(n2)Cl)C=O AB23746 [0,1,0,0,0,0|3,0,0]=4 64 B15R2.63893 Cc1c(c(=O)oc2c1ccc(c2)O)C AB01660 [0,1,0,0,0,0|3,0,0]=4 65 B13R2.3028 CC1Cc2ccc(cc2C1=O)F MB00358 [0,0,0,0,1,0|1,0,2]=4 66 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O AB15604 [0,0,0,0,1,0|0,0,1]=2 67 B13R2.5190 c1cc2c(cc1I)NC(=O)C2=O MB02172 [0,0,0,0,1,0|0,1,1]=3 68 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br AB00374 [1,0,1,0,0,0|1,1,0]=4 69 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl AB00377 [1,0,1,0,0,0|1,1,0]=4 70 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F AB00375 [1,0,1,0,0,0|1,0,0]=3 71 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [1,0,1,0,0,0|0,0,2]=4 72 B12R2.24 c1cc(cc2c1ccnc2)F MB09751 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [2,0,0,0,0,0|1,0,0]=3 75 B12R2.24 c1cc2ccc(cc2nc1)Br AB15717 [2,0,0,0,0,0|0,1,1]=4 76 B12R2.24 c1cc2cnccc2cc1F MB09677 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.24 c1cc2cnccc2cc1O AB19117 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [2,0,0,0,0,0|1,0,1]=4 79 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [2,0,0,0,0,0|1,0,1]=4 80 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [2,0,0,0,0,0|1,0,1]=4 81 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [2,0,0,0,0,0|1,0,1]=4 82 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [2,0,0,0,0,0|1,0,1]=4 83 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [2,0,0,0,0,0|1,0,1]=4 84 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [2,0,0,0,0,0|2,0,0]=4 85 B14R2.134 COc1ccc2ccc(=O)[nH]c2c1 MB07766 [1,1,0,0,0,0|1,0,0]=3 86 B14R2.134 c1cc2c(cc1C=O)[nH]c(=O)cn2 MB69331 [1,1,0,0,0,0|2,0,0]=4 87 B14R2.134 c1cc2c(cc1F)cc(cn2)C=O AB70025 [1,1,0,0,0,0|2,0,0]=4 88 B14R2.4513 Cn1c2cc(ccc2ncc1=O)Br AB56064 [1,1,0,0,0,0|1,1,0]=4 89 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O PB17055 [1,1,0,0,0,0|2,0,0]=4 90 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)Cl AB05606 [1,1,0,0,0,0|1,0,1]=4 91 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)N AB52079 [1,1,0,0,0,0|1,0,1]=4 92 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)O AB12584 [1,1,0,0,0,0|1,0,1]=4 93 B14R2.29365 c1c(cc(c2c1NC(=O)CO2)F)F AB42347 [1,1,0,0,0,0|1,0,1]=4 94 B14R2.1128 c1ccc2c(c1)cc(c(n2)C=O)Br AB46109 [1,1,0,0,0,0|1,0,1]=4 95 B14R2.1128 c1ccc2c(c1)cc(c(n2)O)C=O AB11914 [1,1,0,0,0,0|2,0,0]=4 96 B14R2.2332 COc1ccc2cc(ccc2c1)Br AB00334 [1,1,0,0,0,0|1,1,0]=4 97 B14R2.2332 c1cc2cc(ccc2cc1CO)N AB50496 [1,1,0,0,0,0|2,0,0]=4 98 B14R2.8235 Cc1cc(nc2c1cc(cc2)F)O AB55923 [1,1,0,0,0,0|2,0,0]=4 99 B14R2.9184 c1c(cc(c2c1C(=O)C(=O)N2)F)F AB51119 [0,1,0,0,1,0|1,0,1]=4 100 B14R2.4646 c1cc2c(cc1F)NC(=O)C2(F)F AB84742 [0,1,0,0,1,0|1,0,1]=4 101 B14R2.8737 c1cc(c(c2c1C(=O)C(=O)N2)F)F AB51167 [0,1,0,0,1,0|0,0,1]=3 102 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)Br)Br MB07222 [0,1,0,0,1,0|0,1,1]=4 103 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)Cl)Cl PB30714 [0,1,0,0,1,0|0,1,1]=4 104 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)F)F AB15600 [0,1,0,0,1,0|0,0,1]=3 105 B16R2.23520 Cc1c(cc2ccc(cc2n1)F)C(=O)O AB23701 [0,2,0,0,0,0|1,0,1]=4 106 B14R2.4529 Cc1ccc2cc(oc2c1)C(=O)O MB05116 [0,0,1,1,0,0|2,0,0]=4 107 B14R2.4529 c1cc(cc2c1cc(o2)C(=O)O)Br MB02552 [0,0,1,1,0,0|1,1,0]=4 108 B14R2.4529 c1cc2c(cc1F)oc(n2)C(=O)O AB57663 [0,0,1,1,0,0|2,0,0]=4 109 B14R2.8620 c1cc(c2c(c1F)C(=O)C(=O)N2)F AB32099 [0,0,1,1,0,0|1,0,1]=4 110 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O AB14112 [0,0,1,0,1,0|1,0,1]=4 111 B12R1.354 c1cc(c(cc1F)C(=O)C=O)F AB49787 [0,0,1,0,1,0|1,0,1]=4 112 B12R2.132 c1cc2c(cc1F)C(=O)CC2 AB08649 [1,0,0,0,1,0|0,0,2]=4 113 B12R2.132 c1cc2c(cc1F)C(=O)NC2 AB51004 [1,0,0,0,1,0|1,0,1]=4 114 B12R2.606 c1cc2=NC(=O)N=c2cc1F AB21861 [1,0,0,0,1,0|1,0,1]=4 115 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 PB24760 [1,0,0,0,1,0|0,1,1]=4 116 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 AB04797 [1,0,0,0,1,0|0,1,1]=4 117 B12R2.606 c1cc2c(cc1F)CC(=O)N2 AB11374 [1,0,0,0,1,0|2,0,0]=4 118 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AB02036 [1,0,0,0,1,0|0,0,1]=3 119 B12R2.606 c1cc2c(cc1N)NC(=O)C2 PB17556 [1,0,0,0,1,0|1,0,1]=4 120 B12R2.606 c1cc2c(cc1O)NC(=O)C2 AB21813 [1,0,0,0,1,0|1,0,1]=4