0 B11R1.91 CC(=O)COc1ccccc1 CM11227 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.21 c1cc(ncc1C=CC(=O)O)N CM11013 [0,1,0,0,0,0|1,0,0]=2 2 B12R1.27 COC(=O)CCc1ccccc1 CM13745 [0,1,0,0,0,0|0,0,2]=3 3 B12R1.43 CC(=Cc1ccccc1)[N+](=O)[O-] CM13917 [0,1,0,0,0,0|1,0,1]=3 4 B12R1.107 CC(c1ccccc1)NC(=O)C CM11017 [0,1,0,0,0,0|2,0,1]=4 5 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br CM13747 [0,1,0,0,0,0|0,0,2]=3 6 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O CM13573 [0,1,0,0,0,0|0,0,0]=1 7 B12R2.24 c1cc(=O)[nH]c2c1cncc2 CM10284 [0,0,0,1,0,0|2,0,0]=3 8 B12R2.24 c1cc(cc2c1ccnc2)O CM10593 [0,0,0,1,0,0|2,0,0]=3 9 B12R2.24 c1cc2c(ccc(n2)O)nc1 CM10314 [0,0,0,1,0,0|2,0,0]=3 10 B12R2.24 c1cc2cc(ccc2nc1)I CM13892 [0,0,0,1,0,0|3,0,0]=4 11 B12R2.24 c1cc2cnccc2cc1F CM10586 [0,0,0,1,0,0|3,0,0]=4 12 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 CM14099 [0,0,0,1,0,0|2,0,0]=3 13 B12R1.252 c1ccc(cc1)COCC(=O)O CM13869 [0,0,0,0,0,1|0,0,2]=3 14 B9R1.8 c1ccc(cc1)CNO CM10002 [2,0,0,0,0,0|1,0,1]=4 15 B11R1.20 CC(=O)Cc1ccc(cc1)Cl CM10951 [0,1,0,0,1,0|1,0,1]=4 16 B11R1.20 CC(=O)Cc1ccc(cc1)F CM10927 [0,1,0,0,1,0|1,0,1]=4 17 B11R1.20 CC(=O)Oc1ccc(cc1)F CM12027 [0,1,0,0,1,0|2,0,0]=4 18 B11R1.20 c1cc(ccc1CC(=O)O)F CM13704 [0,1,0,0,1,0|0,0,1]=3 19 B11R1.20 c1cc(ccc1F)[ClH]C(=O)[O-] CM13921 [0,1,0,0,1,0|1,0,1]=4 20 B11R1.20 c1cc(ccc1[ClH]C(=O)[O-])Br CM13923 [0,1,0,0,1,0|1,0,1]=4 21 B11R1.86 CC(=O)Cc1ccccc1Cl CM10944 [0,1,0,0,1,0|1,0,1]=4 22 B11R1.86 CC(=O)Cc1ccccc1F CM10960 [0,1,0,0,1,0|1,0,1]=4 23 B11R1.157 Cc1cccc(c1)CC(=O)O CM13725 [0,1,0,0,1,0|0,0,1]=3 24 B11R1.157 c1cc(cc(c1)F)CC(=O)O CM13703 [0,1,0,0,1,0|0,0,1]=3 25 B11R1.157 c1cc(cc(c1)I)CC(=O)O CM13719 [0,1,0,0,1,0|0,0,1]=3 26 B13R1.45 c1ccc(cc1)C(=O)CCC(=O)O CM11066 [0,1,0,0,0,1|0,0,1]=3 27 B13R1.3 c1cc(ccc1CCC(=O)O)C=O CM10124 [0,2,0,0,0,0|0,0,2]=4 28 B13R1.14 COC(=O)C=Cc1ccc(cc1)Cl CM13579 [0,2,0,0,0,0|0,0,0]=2 29 B13R1.14 COC(=O)CCc1ccc(cc1)O CM13750 [0,2,0,0,0,0|0,0,2]=4 30 B13R1.164 c1cc(c(cc1Br)Cl)C=CC(=O)O CM13575 [0,2,0,0,0,0|0,0,0]=2 31 B13R1.511 c1cc(c(cc1C=CC(=O)O)Br)F CM13576 [0,2,0,0,0,0|0,0,0]=2 32 B13R1.511 c1cc(c(cc1C=CC(=O)O)Cl)F CM13580 [0,2,0,0,0,0|0,0,0]=2 33 B13R1.15 COC(=O)C=Cc1cccc(c1)Br CM13574 [0,2,0,0,0,0|0,0,0]=2 34 B13R1.15 COC(=O)CCc1cccc(c1)Br CM13748 [0,2,0,0,0,0|0,0,2]=4 35 B13R1.528 COC(=O)CCc1ccccc1Br CM13746 [0,2,0,0,0,0|0,0,2]=4 36 B13R1.893 c1cc(c(cc1F)C=CC(=O)O)F CM13577 [0,2,0,0,0,0|0,0,0]=2 37 B11R1.53 c1ccc(c(c1)C#N)C(=O)O CM12612 [0,0,1,1,0,0|1,0,1]=4 38 B11R1.266 c1cc(cc(c1)C(=O)O)C#N CM12613 [0,0,1,1,0,0|1,0,1]=4 39 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br CM12531 [0,0,1,1,0,0|1,0,1]=4 40 B11R1.167 Cc1ccc(c(c1)C(=O)O)C CM12701 [0,0,1,1,0,0|0,0,2]=4 41 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl CM12592 [0,0,1,1,0,0|1,0,1]=4 42 B11R1.167 Cc1ccc(c(c1)C(=O)O)F CM12761 [0,0,1,1,0,0|1,0,1]=4 43 B11R1.167 Cc1ccc(c(c1)C(=O)O)I CM12821 [0,0,1,1,0,0|1,0,1]=4 44 B11R1.167 Cc1ccc(cc1C(=O)O)Br CM12537 [0,0,1,1,0,0|1,0,1]=4 45 B11R1.167 Cc1ccc(cc1C(=O)O)F CM10930 [0,0,1,1,0,0|1,0,1]=4 46 B11R1.167 Cc1ccc(cc1C(=O)O)I CM12825 [0,0,1,1,0,0|1,0,1]=4 47 B11R1.167 Cc1ccc(cc1C(=O)O)N CM12431 [0,0,1,1,0,0|1,0,1]=4 48 B11R1.167 Cc1ccc(cc1C(=O)O)O CM10889 [0,0,1,1,0,0|1,0,1]=4 49 B11R1.167 c1cc(c(cc1Br)C(=O)O)F CM12504 [0,0,1,1,0,0|2,0,0]=4 50 B11R1.167 c1cc(c(cc1Br)C(=O)O)I CM12521 [0,0,1,1,0,0|2,0,0]=4 51 B11R1.167 c1cc(c(cc1F)C(=O)O)F CM12658 [0,0,1,1,0,0|2,0,0]=4 52 B11R1.167 c1cc(c(cc1F)C(=O)O)I CM12741 [0,0,1,1,0,0|2,0,0]=4 53 B11R1.167 c1cc(c(cc1F)C(=O)O)N CM12398 [0,0,1,1,0,0|2,0,0]=4 54 B11R1.167 c1cc(c(cc1F)C(=O)O)O CM12725 [0,0,1,1,0,0|2,0,0]=4 55 B11R1.167 c1cc(c(cc1I)C(=O)O)Br CM12515 [0,0,1,1,0,0|2,0,0]=4 56 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl CM12586 [0,0,1,1,0,0|2,0,0]=4 57 B11R1.167 c1cc(c(cc1I)C(=O)O)F CM12735 [0,0,1,1,0,0|2,0,0]=4 58 B11R1.167 c1cc(c(cc1I)C(=O)O)I CM12693 [0,0,1,1,0,0|2,0,0]=4 59 B11R1.167 c1cc(c(cc1N)C(=O)O)F CM12408 [0,0,1,1,0,0|2,0,0]=4 60 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl CM12583 [0,0,1,1,0,0|2,0,0]=4 61 B11R1.167 c1cc(c(cc1O)C(=O)O)F CM12716 [0,0,1,1,0,0|2,0,0]=4 62 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [1,0,0,1,0,0|1,0,1]=4 63 B11R2.1 c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [1,0,0,1,0,0|2,0,0]=4 64 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [1,0,0,1,0,0|2,0,0]=4 65 B11R2.1 c1ccc2c(c1)c(no2)O CM10137 [1,0,0,1,0,0|2,0,0]=4 66 B11R2.20 c1cc2c(cccn2)nc1 CM10135 [1,0,0,1,0,0|2,0,0]=4 67 B11R2.20 c1ccc2cnccc2c1 CM14380 [1,0,0,1,0,0|2,0,0]=4 68 B11R2.36 c1cc(cc2c1cco2)O CM10757 [0,0,0,1,1,0|2,0,0]=4 69 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O CM13587 [0,0,0,1,0,1|0,0,0]=2 70 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O CM10300 [0,1,0,1,0,0|1,0,0]=3 71 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br CM10598 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.32 c1ccc2c(c1)ccc(c2O)Br CM11054 [0,1,0,1,0,0|1,0,0]=3 73 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 CM14093 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.57 c1ccc2cc(ccc2c1)CCl CM13877 [0,1,0,1,0,0|2,0,0]=4 75 B13R2.435 c1cc2cc(sc2nc1)C(=O)O CM10774 [0,1,0,1,0,0|1,0,0]=3 76 B13R2.435 c1cncc2c1sc(c2)C(=O)O CM10782 [0,1,0,1,0,0|1,0,0]=3 77 B13R2.328 c1ccc2c(c1)c(=O)cc([nH]2)N CM10363 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N CM10156 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br CM10588 [0,1,0,1,0,0|2,0,0]=4 80 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Cl CM10367 [0,1,0,1,0,0|2,0,0]=4 81 B13R2.328 c1ccc2c(c1)c(nc(n2)O)O CM14472 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br CM10587 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br CM10591 [0,1,0,1,0,0|1,0,0]=3 84 B13R2.162 c1cc2ccc(nc2c(c1)Br)N CM10275 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br CM10592 [0,1,0,1,0,0|1,0,0]=3 86 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)N CM10291 [0,1,0,1,0,0|1,0,0]=3 87 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)O CM10628 [0,1,0,1,0,0|1,0,0]=3 88 B13R2.3683 c1cc(cc2c1cc(cc2)F)N CM10501 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.3683 c1cc(cc2c1cc(cc2)F)O CM10502 [0,1,0,1,0,0|1,0,0]=3 90 B9R1.6 c1cncnc1C(=O)O CM10263 [0,0,0,0,2,0|2,0,0]=4