0 B14R2.28472 CC1C(=O)Nc2cccc(c2O1)N MB05445 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.28472 Cc1cc2c(ccnc2cc1C)Cl AB52102 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.28472 c1c2c(cc(c1O)O)ncnc2Cl PB11934 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.28472 c1cnc2cc(c(cc2c1Cl)Cl)Cl AB43475 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.162 Cc1ccc2c(c1)c(ccn2)Cl AB12588 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.162 Cc1ccc2ccnc(c2c1)Cl AB54695 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.162 c1cc(cc2c1ccnc2Cl)Br AB17337 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.162 c1cc(cc2c1ccnc2Cl)Cl AB64632 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.162 c1cc2c(cc1Br)c(ccn2)Cl PB19880 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.162 c1cc2c(cc1Cl)c(ccn2)Cl AB04150 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.162 c1cc2c(cc1F)c(ccn2)Cl AB05918 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.162 c1cc2c(cc1O)c(ncn2)Cl MB06082 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Cl MB10595 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.162 c1cc2ccc(nc2c(c1)Cl)N AB44300 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.162 c1cnc(c2c1ncc(c2)Br)Cl PB22921 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.162 c1cnc(c2c1ncc(c2)N)Cl AB73820 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [1,0,0,0,0,0|1,0,2]=4 18 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.369 c1ccc2=NC(=O)C(=O)N=c2c1 AB06251 [1,0,0,0,0,0|1,0,2]=4 21 B13R2.369 c1ccc2=NC(=O)C(C=c2c1)Br MB06803 [1,0,0,0,0,0|1,0,2]=4 22 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br PB24640 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br PB20265 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl AB63566 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.5179 Cc1ccc2c(ccnc2c1)Cl AB51456 [1,0,0,0,0,0|3,0,0]=4 28 B13R2.5179 Cc1ccc2c(n1)cccc2Br AB68514 [1,0,0,0,0,0|1,1,1]=4 29 B13R2.5179 Cc1cccc2c1OCC(=O)N2 AB53068 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.5179 c1cc(c2c(c1)NC(=O)CO2)N MB08392 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.5179 c1cc(nc2c1c(ncc2)Cl)Br AB73801 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.5179 c1cc(nc2c1c(ncc2)Cl)Cl AB54491 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.5179 c1cc2c(c(c1)Br)OCC(=O)N2 AB50082 [1,0,0,0,0,0|1,1,1]=4 34 B13R2.5179 c1cc2c(c(c1)Cl)CCC(=O)C2 AB17118 [1,0,0,0,0,0|1,0,2]=4 35 B13R2.5179 c1cc2c(c(c1)Cl)OCC(=O)N2 AB43540 [1,0,0,0,0,0|1,0,1]=3 36 B13R2.5179 c1cc2c(c(c1)F)OCC(=O)N2 AB53069 [1,0,0,0,0,0|1,1,1]=4 37 B13R2.5179 c1cc2c(c(c1)O)OCC(=O)N2 AB65028 [1,0,0,0,0,0|2,0,1]=4 38 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)Br MB09288 [1,0,0,0,0,0|0,1,0]=2 39 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O MB02360 [1,0,0,0,0,0|1,0,0]=2 40 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Br AB45170 [1,0,0,0,0,0|1,1,1]=4 41 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br MB09289 [1,0,0,0,0,0|1,1,1]=4 42 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br AB27582 [1,0,0,0,0,0|3,0,0]=4 43 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl AB27580 [1,0,0,0,0,0|3,0,0]=4 44 B13R2.5179 c1cc2c(ccnc2Cl)cc1F AB55623 [1,0,0,0,0,0|3,0,0]=4 45 B13R2.5179 c1cc2c(ccnc2cc1Br)Cl AB12594 [1,0,0,0,0,0|3,0,0]=4 46 B13R2.5179 c1cc2c(ccnc2cc1F)Cl AB04073 [1,0,0,0,0,0|3,0,0]=4 47 B13R2.5179 c1cnc(c2=CCC(=O)N=c21)Cl AB85042 [1,0,0,0,0,0|1,0,2]=4 48 B13R2.5179 c1cnc(c2c1NC(=O)CC2)Cl AB73018 [1,0,0,0,0,0|1,0,2]=4 49 B15R2.63633 Cc1ccc(c2c1nc(c(c2)C)Cl)Cl AB51619 [0,1,0,0,0,0|2,0,1]=4 50 B15R2.63633 Cc1ccc(c2c1nc(c(c2)C)N)Cl AB51698 [0,1,0,0,0,0|2,0,1]=4 51 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O AB07072 [0,0,0,0,1,0|1,1,1]=4 52 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O AB01335 [0,0,0,0,1,0|1,0,1]=3 53 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O AB09245 [0,0,0,0,1,0|1,1,1]=4 54 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O MB01744 [0,0,0,0,1,0|1,1,1]=4 55 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 AB15602 [0,0,0,0,1,0|0,1,1]=3 56 B13R2.4856 c1cc2c(c(c1)I)C(=O)C(=O)N2 MB02863 [0,0,0,0,1,0|0,1,1]=3 57 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [1,0,1,0,0,0|0,0,2]=4 58 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [1,0,1,0,0,0|2,0,0]=4 59 B12R1.1009 c1cc(c(c(c1)F)CC(=O)O)N AB31835 [1,0,1,0,0,0|0,1,1]=4 60 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [2,0,0,0,0,0|1,0,0]=3 62 B12R2.24 c1cc2cnccc2cc1O AB19117 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [2,0,0,0,0,0|1,0,1]=4 64 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [2,0,0,0,0,0|1,0,1]=4 65 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [2,0,0,0,0,0|1,0,1]=4 66 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [2,0,0,0,0,0|1,0,1]=4 67 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [2,0,0,0,0,0|1,0,1]=4 68 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [2,0,0,0,0,0|1,0,1]=4 69 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [2,0,0,0,0,0|2,0,0]=4 70 B12R2.1081 c1cc2c(cccn2)c(c1)Br AB05240 [2,0,0,0,0,0|0,1,1]=4 71 B12R2.1081 c1cc2c(ccnc2Cl)nc1 PB32262 [2,0,0,0,0,0|1,0,1]=4 72 B12R2.1081 c1cc2c(ccnc2nc1)Cl MB05961 [2,0,0,0,0,0|1,0,1]=4 73 B12R2.1081 c1ccc2c(c1)ccnc2Cl AB01423 [2,0,0,0,0,0|2,0,0]=4 74 B14R1.550 c1ccc(c(c1)\C=C(/C#N)\C(=O)O)Cl AB51103 [0,1,1,0,0,0|2,0,0]=4 75 B14R2.142 COc1cc2c(ccnc2Cl)nc1 PB37760 [1,1,0,0,0,0|1,0,1]=4 76 B14R2.142 COc1ccc2c(c1)c(ccn2)Cl AB01409 [1,1,0,0,0,0|2,0,0]=4 77 B14R2.142 COc1ccc2cccc(c2c1)Cl AB44054 [1,1,0,0,0,0|1,0,0]=3 78 B14R2.142 COc1ccc2cccc(c2c1)N AB44293 [1,1,0,0,0,0|2,0,0]=4 79 B14R2.142 COc1ccc2ccnc(c2c1)Cl AB69421 [1,1,0,0,0,0|2,0,0]=4 80 B14R2.1128 c1ccc2c(c1)cc(c(n2)C=O)Br AB46109 [1,1,0,0,0,0|1,0,1]=4 81 B14R2.1128 c1ccc2c(c1)cc(c(n2)O)C=O AB11914 [1,1,0,0,0,0|2,0,0]=4 82 B14R2.8239 Cc1cc2ccc(cc2oc1=O)O AB50338 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.1073 COc1cccc2c1ccc(=O)[nH]2 MB10591 [1,1,0,0,0,0|1,0,0]=3 84 B14R2.1801 c1cc2c(ccnc2Cl)cc1C=O AB70668 [1,1,0,0,0,0|2,0,0]=4 85 B14R2.29365 Cc1ccc2c(n1)cc(cc2Cl)Cl AB52171 [1,1,0,0,0,0|1,0,1]=4 86 B14R2.29365 c1c(cc(c2c1NC(=O)CO2)Cl)Br AB53064 [1,1,0,0,0,0|1,0,1]=4 87 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)Br)Br MB07222 [0,1,0,0,1,0|0,1,1]=4 88 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)Cl)Cl PB30714 [0,1,0,0,1,0|0,0,1]=3 89 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)F)F AB15600 [0,1,0,0,1,0|0,1,1]=4 90 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Cl AB24958 [0,0,1,0,1,0|1,0,1]=4 91 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 AB15885 [1,0,0,0,1,0|0,0,2]=4 92 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O PB25074 [1,0,0,0,1,0|0,0,2]=4 93 B12R2.196 c1cc2c(c(c1)Cl)CNC2=O AB51011 [1,0,0,0,1,0|1,0,1]=4