0 B12R1.125 CC(=O)NCc1ccccc1Br CSC011237613 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.125 CC(=O)NCc1ccccc1C CSC000175807 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.125 CC(=O)NCc1ccccc1Cl CSC000155626 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.125 CC(=O)NNc1ccccc1C CSC015226515 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.125 CC(=O)OCc1ccccc1C CSC000000619 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.125 Cc1ccccc1OCC(=O)N CSC000150533 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.125 NC(=O)CCc1ccccc1Cl CSC000162028 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.125 NC(=O)CCc1ccccc1F CSC000016472 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.125 NC(=O)COc1ccccc1Cl CSC000150432 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.125 NC(=O)COc1ccccc1F CSC000150391 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.125 NC(=O)COc1ccccc1O CSC000162348 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.125 NC(=O)NNc1ccccc1Cl CSC000022921 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.125 OC(=O)COc1ccccc1F CSC000182486 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.91 CC(=O)NNc1ccccc1 CSC000153448 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.91 NC(=O)C#Cc1ccccc1 CSC000041776 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.91 NC(=O)COc1ccccc1 CSC000150575 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.91 OC(=O)CSc1ccccn1 CSC000156281 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.90 COc1ccccc1CNC(=O)C CSC000152208 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.150 OC(=O)COc1cccc(c1Cl)Cl CSC000191259 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.164 OC(=O)COc1ccc(cc1Br)F CSC000184067 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.164 OC(=O)COc1ccc(cc1Cl)Br CSC000185252 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.164 OC(=O)COc1ccc(cc1Cl)Cl CSC000180860 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.164 OC(=O)COc1ccc(cc1Cl)F CSC000191239 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.201 CN(CC(=O)O)c1ccccc1F CSC011585902 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.202 Cc1ccccc1NC(=O)C(=O)N CSC009974089 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.202 Cc1ccccc1NC(=O)C(=O)O CSC011297352 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.202 NC(=O)C(=O)Nc1ccccc1Br CSC015388744 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.202 NC(=O)C(=O)Nc1ccccc1Cl CSC009974256 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.202 NC(=O)C(=O)Nc1ccccc1F CSC010733052 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.528 COC(=O)CCc1ccccc1Br CSC009815308 [0,1,0,0,0,0|1,0,2]=4 31 B13R1.528 COC(=O)CCc1ccccc1Cl CSC000151590 [0,1,0,0,0,0|1,0,2]=4 32 B13R1.528 COC(=O)CCc1ccccc1F CSC000016591 [0,1,0,0,0,0|1,0,2]=4 33 B13R1.528 COC(=O)COc1ccccc1C CSC000149375 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.528 COC(=O)COc1ccccc1Cl CSC000149908 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.528 COC(=O)COc1ccccc1F CSC000149924 [0,1,0,0,0,0|2,0,1]=4 36 B13R1.528 COC(=O)NCc1ccccc1Cl CSC000236058 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.3787 OC(=O)COc1c(cccc1Cl)Cl CSC000184137 [0,1,0,0,0,0|2,0,1]=4 38 B13R2.435 NC(=O)c1cc2ccccc2[nH]1 CSC000206395 [0,0,0,1,0,0|2,0,0]=3 39 B13R2.435 NC(=O)c1cc2ccccc2o1 CSC000162263 [0,0,0,1,0,0|1,0,0]=2 40 B13R2.435 NC(=O)c1nc2ccccc2s1 CSC000016678 [0,0,0,1,0,0|2,1,0]=4 41 B11R1.86 CC(=O)Nc1ccccc1Br CSC000153524 [0,0,0,0,1,0|3,0,0]=4 42 B11R1.86 CC(=O)Nc1ccccc1C CSC000153662 [0,0,0,0,1,0|3,0,0]=4 43 B11R1.86 CC(=O)Nc1ccccc1Cl CSC000153741 [0,0,0,0,1,0|3,0,0]=4 44 B11R1.86 CC(=O)Nc1ccccc1F CSC000154224 [0,0,0,0,1,0|3,0,0]=4 45 B11R1.86 CC(=O)Nc1ccccc1I CSC000154044 [0,0,0,0,1,0|3,0,0]=4 46 B11R1.86 CC(=O)Nc1ncccc1O CSC000022013 [0,0,0,0,1,0|3,0,0]=4 47 B11R1.86 CC(=O)Oc1ccccc1C CSC000001913 [0,0,0,0,1,0|3,0,0]=4 48 B11R1.86 CC(=O)Oc1ccccc1F CSC000001835 [0,0,0,0,1,0|3,0,0]=4 49 B11R1.86 Cc1ccccc1NC(=O)N CSC000181700 [0,0,0,0,1,0|3,0,0]=4 50 B11R1.86 NC(=O)Cc1ccccc1Cl CSC000162363 [0,0,0,0,1,0|2,0,1]=4 51 B11R1.86 NC(=O)Cc1ccccc1F CSC000162305 [0,0,0,0,1,0|2,0,1]=4 52 B11R1.86 NC(=O)Nc1ccccc1Br CSC000742221 [0,0,0,0,1,0|3,0,0]=4 53 B11R1.86 NC(=O)Nc1ccccc1Cl CSC000181701 [0,0,0,0,1,0|3,0,0]=4 54 B13R1.158 NC(=O)NN=Cc1ccccc1F CSC000163865 [0,0,0,0,0,1|3,0,0]=4 55 B12R1.21 OC(=O)COc1ccc(cc1)Br CSC000182358 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.27 COC(=O)C#Cc1ccccc1 CSC011216089 [1,1,0,0,0,0|0,0,2]=4 57 B12R1.27 COC(=O)COc1ccccc1 CSC000148705 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.27 COC(=O)CSc1ccccc1 CSC000151200 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.27 COC(=O)NCc1ccccc1 CSC000235978 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.27 OCC(=O)NCc1ccccc1 CSC000246335 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.43 NC(=O)C(=O)Nc1ccccc1 CSC000015721 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.75 COc1ccccc1CC(=O)N CSC000162009 [0,1,0,0,1,0|1,0,1]=4 63 B12R1.75 COc1ccccc1OC(=O)C CSC000002000 [0,1,0,0,1,0|2,0,0]=4 64 B12R1.127 CC(=O)Nc1cc(ccc1O)Br CSC010005742 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.127 CC(=O)Nc1cc(ccc1O)C CSC000035807 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl CSC000012038 [0,1,0,0,1,0|2,0,0]=4 67 B12R1.224 CC(=O)Nc1cccc(c1O)Cl CSC000117800 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl CSC010293595 [0,1,0,0,1,0|2,0,0]=4 69 B12R1.1009 CC(=O)Nc1c(cccc1O)C CSC000103797 [0,1,0,0,1,0|2,0,0]=4 70 B14R1.160 CC(=O)NNC(=O)c1ccccc1O CSC000016658 [0,1,0,0,0,1|2,0,0]=4 71 B14R1.160 NC(=O)NNC(=O)c1ccccc1O CSC000240747 [0,1,0,0,0,1|2,0,0]=4 72 B14R1.840 COc1ccccc1N(C)CC(=O)O CSC011584997 [0,2,0,0,0,0|1,0,1]=4 73 B14R1.863 COC(=O)CNc1ccccc1OC CSC000219752 [0,2,0,0,0,0|1,0,1]=4 74 B14R1.863 COC(=O)COc1ccccc1OC CSC000149912 [0,2,0,0,0,0|1,0,1]=4 75 B14R1.863 COC(=O)CSc1ccccc1OC CSC011448375 [0,2,0,0,0,0|1,0,1]=4 76 B14R1.3135 COc1ccccc1NC(=O)C(=O)N CSC000013240 [0,2,0,0,0,0|2,0,0]=4 77 B14R1.3135 COc1ccccc1NC(=O)C(=O)O CSC011297187 [0,2,0,0,0,0|1,0,0]=3 78 B14R1.153 Cc1cccc(c1C)NC(=O)C(=O)O CSC011297339 [0,2,0,0,0,0|2,0,0]=4 79 B14R1.6049 Cc1ccc(c(c1)C)NC(=O)C(=O)O CSC011297145 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.550 Cc1ccccc1C=C(C#N)C(=O)N CSC000003477 [0,2,0,0,0,0|2,0,0]=4 81 B14R1.550 NC(=O)C(=Cc1ccccc1F)C#N CSC016027075 [0,2,0,0,0,0|2,0,0]=4 82 B14R1.550 OC(=O)C(=Cc1ccccc1Br)C#N CSC000162725 [0,2,0,0,0,0|1,0,0]=3 83 B14R1.550 OC(=O)C(=Cc1ccccc1Cl)C#N CSC000162681 [0,2,0,0,0,0|1,0,0]=3 84 B14R1.550 OC(=O)C(=Cc1ccccc1F)C#N CSC000162707 [0,2,0,0,0,0|1,0,0]=3 85 B14R2.256 Cc1ccc(o1)c2ccccc2N CSC011217610 [0,0,0,1,0,1|2,0,0]=4 86 B14R2.450 Cc1c(oc2c1cccc2)C(=O)N CSC000192827 [0,1,0,1,0,0|1,0,0]=3 87 B14R2.450 Cn1c(cc2c1cccc2)C(=O)N CSC000044693 [0,1,0,1,0,0|2,0,0]=4 88 B14R2.1073 COc1cccc2c1ccc(n2)C CSC000700385 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.7969 Cc1cccc2c1oc(c2)C(=O)N CSC000057192 [0,1,0,1,0,0|1,0,0]=3 90 B14R2.4529 Cc1ccc2[nH]c(cc2c1)C(=O)N CSC000044047 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.4529 Cc1ccc2cc([nH]c2c1)C(=O)N CSC000044316 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)Br CSC009814496 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)Cl CSC000044049 [0,1,0,1,0,0|2,0,0]=4 94 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)F CSC000012626 [0,1,0,1,0,0|2,0,0]=4 95 B14R2.4529 NC(=O)c1cc2cc(ccc2o1)Br CSC000185017 [0,1,0,1,0,0|1,0,0]=3 96 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)Br CSC009814495 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)Cl CSC000045627 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.972 CNC(=O)c1cc2ccccc2o1 CSC000159883 [0,1,0,1,0,0|1,0,0]=3 99 B14R2.972 COC(=O)c1cc2ccccc2[nH]1 CSC000148470 [0,1,0,1,0,0|1,0,0]=3 100 B14R2.972 COC(=O)c1cc2ccccc2s1 CSC000198240 [0,1,0,1,0,0|0,1,0]=3 101 B14R2.972 COC(=O)c1cc2cccnc2[nH]1 CSC000044995 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.972 COC(=O)c1cn2ccccc2n1 CSC000148251 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.972 NNC(=O)c1cc2ccccc2[nH]1 CSC000016311 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.972 NNC(=O)c1cc2ccccc2s1 CSC000198294 [0,1,0,1,0,0|1,1,0]=4 105 B10R1.61 NC(=O)c1ccccc1Br CSC000162158 [0,0,0,0,2,0|2,0,0]=4 106 B10R1.61 NC(=O)c1ccccc1Cl CSC000162159 [0,0,0,0,2,0|2,0,0]=4 107 B10R1.61 NC(=O)c1ccccc1I CSC000162227 [0,0,0,0,2,0|2,0,0]=4