0 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br CM10592 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)N CM10291 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)O CM10628 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.3683 c1cc(cc2c1cc(cc2)F)N CM10501 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.3683 c1cc(cc2c1cc(cc2)F)O CM10502 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.3683 c1cc2c(cc1Br)COC(=O)N2 CM14341 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 CM10088 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.3683 c1cc2c(cc1F)CCC(=O)N2 CM10631 [0,0,0,0,0,0|2,0,2]=4 8 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 CM10308 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 CM10298 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.24 c1cc(=O)[nH]c2c1cncc2 CM10284 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.24 c1cc(cc2c1ccnc2)O CM10593 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.24 c1cc2c(ccc(n2)O)nc1 CM10314 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.24 c1cc2cc(ccc2nc1)I CM13892 [1,0,0,0,0,0|2,0,0]=3 14 B12R2.24 c1cc2cnccc2cc1F CM10586 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 CM14099 [1,0,0,0,0,0|2,0,0]=3 16 B14R2.2332 COc1ccc2cc(ccc2c1)Br CM14460 [0,1,0,0,0,0|2,0,0]=3 17 B14R2.2332 c1cc2c(ccc(n2)Cl)cc1C#N CM10599 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O CM13573 [0,0,1,0,0,0|1,0,0]=2 19 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br CM13592 [0,0,0,0,1,0|3,0,0]=4 20 B12R2.606 Cc1cc2cc(ccc2[nH]1)F CM13612 [0,0,0,0,1,0|3,0,0]=4 21 B12R2.606 Cc1cc2ccc(cc2[nH]1)F CM13613 [0,0,0,0,1,0|3,0,0]=4 22 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 CM14289 [0,0,0,0,1,0|2,0,1]=4 23 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 CM14364 [0,0,0,0,1,0|3,0,0]=4 24 B12R2.606 c1cc2c(cc1Br)nc(o2)N CM10622 [0,0,0,0,1,0|3,0,0]=4 25 B12R2.606 c1cc2c(cc1F)NC(=O)C2 CM14302 [0,0,0,0,1,0|3,0,0]=4 26 B12R2.612 c1cc2c(cc1Br)CCC2=O CM14359 [0,0,0,0,1,0|1,0,2]=4 27 B12R2.612 c1cc2c(cc1Br)OCC2=O CM10487 [0,0,0,0,1,0|2,0,1]=4 28 B12R2.612 c1cc2c(cc1Cl)OCC2=O CM10772 [0,0,0,0,1,0|2,0,1]=4 29 B12R2.612 c1cc2c(cc1F)CCC2=O CM14361 [0,0,0,0,1,0|1,0,2]=4 30 B12R2.612 c1cc2c(cc1O)OCC2=O CM10744 [0,0,0,0,1,0|2,0,1]=4 31 B11R1.20 CC(=O)Oc1ccc(cc1)F CM12027 [1,0,1,0,0,0|1,0,1]=4 32 B11R1.37 Cc1ccc(c(c1)C#N)C=O CM10508 [1,0,1,0,0,0|1,0,1]=4 33 B11R2.20 c1cc2c(cccn2)nc1 CM10135 [2,0,0,0,0,0|2,0,0]=4 34 B11R2.20 c1ccc2cnccc2c1 CM14380 [2,0,0,0,0,0|2,0,0]=4 35 B13R1.15 COC(=O)C=Cc1cccc(c1)Br CM13574 [0,1,1,0,0,0|1,0,0]=3 36 B13R1.511 c1cc(c(cc1C=CC(=O)O)Br)F CM13576 [0,1,1,0,0,0|1,0,0]=3 37 B13R1.511 c1cc(c(cc1C=CC(=O)O)Cl)F CM13580 [0,1,1,0,0,0|1,0,0]=3 38 B13R1.893 c1cc(c(cc1F)C=CC(=O)O)F CM13577 [0,1,1,0,0,0|1,0,0]=3 39 B13R2.32 c1ccc2c(c1)ccc(c2O)Br CM11054 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 CM14093 [1,1,0,0,0,0|1,0,1]=4 41 B13R2.57 c1ccc2cc(ccc2c1)CCl CM13877 [1,1,0,0,0,0|1,0,0]=3 42 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O CM10300 [1,1,0,0,0,0|1,0,0]=3 43 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br CM10598 [1,1,0,0,0,0|2,0,0]=4 44 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br CM10591 [1,1,0,0,0,0|1,0,0]=3 45 B13R2.162 c1cc2ccc(nc2c(c1)Br)N CM10275 [1,1,0,0,0,0|2,0,0]=4 46 B13R2.328 Cc1cc2ccccc2c(n1)O CM10269 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.328 c1ccc2c(c1)c(=O)cc([nH]2)N CM10363 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N CM10156 [1,1,0,0,0,0|2,0,0]=4 49 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br CM10588 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Cl CM10367 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br CM10587 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.43 c1cc2c(cc1Br)cc(s2)C=O CM10618 [0,1,0,0,1,0|1,1,0]=4 53 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC CM13615 [0,1,0,0,1,0|2,0,0]=4 54 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 CM13627 [0,1,0,0,1,0|2,0,0]=4 55 B13R2.2130 COc1ccc2c(c1)CCC2=O CM14360 [0,1,0,0,1,0|0,0,2]=4 56 B13R2.5187 c1cc2c(cc1F)C(=O)OC2=O CM13827 [0,1,0,0,1,0|2,0,0]=4 57 B15R2.4780 COc1ccc2cc(ccc2c1)C=O CM14461 [0,2,0,0,0,0|1,0,0]=3 58 B15R2.7180 c1cc(=O)[nH]c2c1cc(cc2)[N+](=O)[O-] CM10096 [0,2,0,0,0,0|2,0,0]=4 59 B15R2.21329 COc1ccc2c(c1)c(=O)oc(=O)[nH]2 CM13629 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.157 Cc1cccc(c1)CC(=O)O CM13725 [0,0,1,0,1,0|0,0,1]=3 61 B11R1.157 c1cc(cc(c1)F)CC(=O)O CM13703 [0,0,1,0,1,0|1,0,1]=4 62 B11R1.157 c1cc(cc(c1)I)CC(=O)O CM13719 [0,0,1,0,1,0|1,0,1]=4 63 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CM10965 [0,0,1,0,1,0|1,0,1]=4 64 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O CM12591 [0,0,1,0,1,0|2,0,0]=4 65 B11R1.166 Cc1ccc(c(c1)F)C(=O)O CM10021 [0,0,1,0,1,0|2,0,0]=4 66 B11R1.166 Cc1ccc(c(c1)N)C(=O)O CM12428 [0,0,1,0,1,0|2,0,0]=4 67 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [1,0,0,0,1,0|1,0,1]=4 68 B11R2.1 c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [1,0,0,0,1,0|2,0,0]=4 69 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [1,0,0,0,1,0|2,0,0]=4 70 B11R2.36 Cc1ccc2c(c1)cco2 CM10745 [1,0,0,0,1,0|0,0,0]=2 71 B11R2.36 Cc1ccc2ccsc2c1 CM10722 [1,0,0,0,1,0|1,0,0]=3 72 B11R2.36 c1cc(cc2c1cc[nH]2)F CM13607 [1,0,0,0,1,0|2,0,0]=4 73 B11R2.36 c1cc(cc2c1cco2)Br CM10729 [1,0,0,0,1,0|2,0,0]=4 74 B11R2.36 c1cc(cc2c1cco2)O CM10757 [1,0,0,0,1,0|2,0,0]=4 75 B11R2.36 c1cc(cc2c1ccs2)Br CM10504 [1,0,0,0,1,0|2,0,0]=4 76 B11R2.36 c1cc2c(cc[nH]2)cc1F CM13606 [1,0,0,0,1,0|2,0,0]=4 77 B11R2.36 c1cc2c(cco2)cc1Br CM10728 [1,0,0,0,1,0|1,0,0]=3 78 B11R2.36 c1cc2c(cco2)cc1Cl CM10740 [1,0,0,0,1,0|1,0,0]=3 79 B11R2.36 c1cc2c(cco2)cc1F CM10741 [1,0,0,0,1,0|1,0,0]=3 80 B11R2.36 c1cc2c(ccs2)cc1Br CM10617 [1,0,0,0,1,0|1,1,0]=4