0 B13R2.4825 CN1c2cccc(c2CC1=O)Br PB19105 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O AB07072 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O AB01335 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O AB09245 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O MB01744 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.18 Cn1c2ccccc2nc1Cl AB07066 [1,0,0,0,0,0|2,0,1]=4 6 B12R2.196 Cn1ccc2c1cccc2N AB43235 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.196 c1cc2c(cnn2O)c(c1)Cl MB69255 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.196 c1cc2c(cnn2O)c(c1)F MB69251 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.202 Cc1cccc2=NC(=O)N=c12 AB44499 [1,0,0,0,0,0|0,0,2]=3 10 B12R2.202 Cc1cccc2c1nc(o2)S AB64565 [1,0,0,0,0,0|1,1,1]=4 11 B12R2.202 Cc1cccc2c1nc(s2)Br AB16505 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.202 Cc1cccc2c1nc(s2)Cl AB16506 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.202 Cc1cccc2c1nc(s2)O AB16509 [1,0,0,0,0,0|1,0,2]=4 14 B12R2.202 Cc1cccc2c1nc(s2)S AB62961 [1,0,0,0,0,0|1,1,1]=4 15 B12R2.202 Cc1cccc2c1oc(n2)S AB66120 [1,0,0,0,0,0|1,1,1]=4 16 B12R2.202 Cc1cccc2c1sc(n2)S AB66145 [1,0,0,0,0,0|1,1,1]=4 17 B12R2.202 c1c2c(c(cn1)Br)CC(=O)N2 AB66495 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.202 c1c2c(c(cn1)Cl)CC(=O)N2 AB73885 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.202 c1cc2c(c(c1)Br)CC(=O)C2 PB34393 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 PB23473 [1,0,0,0,0,0|2,0,0]=3 21 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 PB17281 [1,0,0,0,0,0|2,0,0]=3 22 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 AB15885 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 AB25436 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.202 c1cc2c(c(c1)F)CC(=O)N2 AB17595 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 AB11394 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.202 c1cc2c(c(c1)F)S=C(N2)Cl AB69982 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.202 c1cc2c(c(c1)O)CC(=O)N2 AB13551 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.202 c1cnc(c2c1NC(=O)C2)Br AB66493 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.202 c1cnc(c2c1NC(=O)C2)Cl AB66490 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.202 c1cnc(c2c1NC(=O)C2)N AB73887 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.202 c1cnc2c(c1Br)CC(=O)N2 AB65563 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.202 c1cnc2c(c1Cl)CC(=O)N2 PB29827 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.202 c1cnc2c(c1F)CC(=O)N2 PB11030 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.202 c1cnc2c(c1N)CC(=O)N2 AB73878 [1,0,0,0,0,0|3,0,0]=4 35 B14R2.7970 c1cc2c(c(c1)Br)NC(=O)C2(F)F AB84766 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.7970 c1cc2c(c(c1)Cl)NC(=O)C2(F)F AB84765 [0,1,0,0,0,0|3,0,0]=4 37 B14R2.8620 Cc1ccc(c2c1NC(=O)C2=O)Br AB25936 [0,1,0,0,0,0|1,0,1]=3 38 B14R2.8620 c1cc(c2c(c1F)C(=O)C(=O)N2)F AB32099 [0,1,0,0,0,0|2,0,1]=4 39 B14R2.8737 c1cc(c(c2c1C(=O)C(=O)N2)F)F AB51167 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.9184 Cc1cc2c(c(c1)Br)NC(=O)C2=O MB01226 [0,1,0,0,0,0|2,0,1]=4 41 B14R2.9184 c1c(cc(c2c1C(=O)C(=O)N2)F)F AB51119 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.225 Cc1cccc(c1)C(C(=O)O)N AB11988 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.225 Cc1cccc(c1)C(C(=O)O)N AB24611 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.225 Cc1cccc(c1)[C@@H](C(=O)O)N AB32661 [0,0,1,0,0,0|3,0,0]=4 45 B12R1.225 Cc1cccc(c1)[C@H](C(=O)O)N AB32657 [0,0,1,0,0,0|3,0,0]=4 46 B12R1.225 Cc1cccc(n1)C(C(=O)O)O AB31470 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.225 Cc1ccnc(c1)C(C(=O)O)O AB31477 [0,0,1,0,0,0|3,0,0]=4 48 B14R2.8045 Cc1cccc2c1nc(cc2O)C AB03395 [0,0,0,0,0,1|2,0,1]=4 49 B14R2.8045 Cc1cccc2c1nc(nc2O)C AB63500 [0,0,0,0,0,1|2,0,1]=4 50 B14R2.8045 c1cc2c(c(c1)Br)[nH]c(=O)[nH]c2=O CB11387 [0,0,0,0,0,1|2,0,1]=4 51 B14R2.8045 c1cc2c(c(c1)Br)[nH]c(=O)oc2=O AB27773 [0,0,0,0,0,1|2,0,1]=4 52 B11R1.159 Cc1c(c(ccn1)C(=O)O)N AB70614 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.159 Cc1cccc(c1N)C(=O)O AB00891 [1,0,1,0,0,0|1,0,0]=3 54 B11R1.159 Cc1ccnc(c1N)C(=O)O AB66557 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.159 Cc1cncc(c1N)C(=O)O AB75852 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O AB15588 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O AB03731 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AB09241 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.157 CC(=O)Nc1cccc(c1)O AB00216 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.157 Cc1cc(ccn1)NC(=O)C AB53272 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.157 Cc1cccc(c1)CC(=N)N AB49995 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [1,0,1,0,0,0|1,0,0]=3 63 B11R1.157 Cc1ccnc(c1)NC(=O)C AB05238 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.157 c1cc(cc(c1)Cl)NC(=N)N AB43838 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.86 c1ccc(c(c1)NC(=O)N)Br CB10141 [1,0,1,0,0,0|1,0,0]=3 70 B11R1.265 Cc1cccc(c1C=O)OC MB05932 [1,0,1,0,0,0|2,0,0]=4 71 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [2,0,0,0,0,0|2,0,0]=4 72 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [2,0,0,0,0,0|2,0,0]=4 73 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [2,0,0,0,0,0|1,0,0]=3 74 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [2,0,0,0,0,0|2,0,0]=4 75 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [2,0,0,0,0,0|2,0,0]=4 76 B11R2.106 Cc1cccc2c1CCN2 MB06155 [2,0,0,0,0,0|1,0,1]=4 77 B11R2.106 Cc1cccc2c1NCC2 MB04566 [2,0,0,0,0,0|1,0,1]=4 78 B11R2.106 Cc1cccc2c1occ2 MB00742 [2,0,0,0,0,0|2,0,0]=4 79 B13R2.135 c1ccc2c(c1)C(C(=O)N2)CN AB28484 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.359 CC1(c2ccccc2NC1=O)C MB00789 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.359 c1ccc2c(c1)C(C(=O)N2)(F)F AB75832 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.3028 CN1c2cc(ccc2CC1=O)N PB27060 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 AB15602 [1,1,0,0,0,0|1,0,1]=4 84 B13R2.4856 c1cc2c(c(c1)I)C(=O)C(=O)N2 MB02863 [1,1,0,0,0,0|1,0,1]=4 85 B13R2.5190 CN1c2ccc(cc2CC1=O)N PB12659 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O AB15604 [1,1,0,0,0,0|1,0,1]=4 87 B13R2.5190 c1cc2c(cc1I)NC(=O)C2=O MB02172 [1,1,0,0,0,0|1,0,1]=4 88 B13R2.54 Cc1cccc2c1oc(c2)C=O MB09961 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.581 COc1c2c(ccn1)NC(=O)C2 AB48335 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.581 COc1cccc2c1CC(=O)N2 AB31926 [1,1,0,0,0,0|1,0,0]=3 91 B13R2.581 COc1cccc2c1NC(=O)C2 AB11400 [1,1,0,0,0,0|1,0,0]=3 92 B13R2.581 COc1ccnc2c1CC(=O)N2 AB66469 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.581 c1cc2c(c(c1)C#N)NC(=O)C2 AB11404 [1,1,0,0,0,0|1,0,1]=4 94 B13R2.581 c1cnc(c2c1NC(=O)C2)CCl AB73899 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.581 c1cnc(c2c1NC(=O)C2)CN AB73898 [1,1,0,0,0,0|2,0,0]=4 96 B13R2.581 c1cnc2c(c1CN)CC(=O)N2 AB73879 [1,1,0,0,0,0|2,0,0]=4 97 B13R2.3050 c1cc(c(c2c1NC(=O)C2)Cl)F MB12060 [1,1,0,0,0,0|2,0,0]=4 98 B13R2.3050 c1cc(c(c2c1NC(=O)C2)F)Cl MB69359 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.3050 c1cc(c(c2c1NC(=O)C2)F)F AB17537 [1,1,0,0,0,0|2,0,0]=4 100 B13R2.5397 c1c(cc(c2c1NC(=O)C2)F)F MB01675 [1,1,0,0,0,0|2,0,0]=4 101 B15R2.20937 COc1cccc2c1[nH]c(=O)[nH]c2=O AB55578 [0,1,0,0,0,1|1,0,1]=4 102 B15R2.20937 COc1cccc2c1[nH]c(=O)oc2=O AB18079 [0,1,0,0,0,1|1,0,1]=4 103 B13R2.162 Cc1cccc2c1NC(=O)CC2 MB01240 [0,0,1,1,0,0|2,0,0]=4 104 B13R2.162 Cc1cccc2c1NC(=O)CO2 AB65924 [0,0,1,1,0,0|1,0,0]=3 105 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)N MB09230 [0,0,1,1,0,0|2,0,0]=4 106 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)O MB08401 [0,0,1,1,0,0|2,0,0]=4 107 B13R2.162 c1cc2c(c(c1)Br)NC(=O)CO2 AB72665 [0,0,1,1,0,0|2,0,0]=4 108 B13R2.162 c1cc2c(c(c1)Cl)NC(=O)CO2 AB65030 [0,0,1,1,0,0|2,0,0]=4 109 B13R2.163 c1ccc2c(c1)CCNC(=O)C2 MB01179 [0,0,1,1,0,0|2,0,0]=4 110 B13R2.163 c1ccc2c(c1)CCNC(=O)N2 AB65832 [0,0,1,1,0,0|1,0,0]=3 111 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [0,0,1,1,0,0|2,0,0]=4 112 B13R2.328 CC1CC(=O)Nc2c1cccc2 MB08925 [1,0,0,0,0,1|2,0,0]=4 113 B13R2.328 CN1CC(=O)Nc2c1cccc2 MB12301 [1,0,0,0,0,1|1,0,0]=3