0 B11R1.266 B(c1cccc(c1)CC)(O)O FS000715 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.266 B(c1cccc(c1)OC)(O)O FS000870 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.113 c1cc(cc(c1)O)C(F)F FS010305 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.113 c1cnc(cc1Br)C(=O)O FS061087 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.113 c1cnc(cc1C(=O)O)Cl FS000571 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.172 CCc1cccc(c1)[Zn]Br FS430227 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.172 CCc1cccc(c1)[Zn]Br FS430730 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.172 COc1cc(ccn1)C=O FS005104 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.172 COc1cc(ccn1)[Mg]Br FS410313 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.172 COc1cc(ccn1)[Mg]Br FS420306 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.172 COc1cc(ccn1)[Zn]Br FS430398 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.172 COc1cc(ccn1)[Zn]Br FS430890 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.172 COc1cc(cnc1)[Zn]Br FS430146 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.172 COc1cc(cnc1)[Zn]Br FS430646 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.172 COc1cccc(c1)[Zn]Br FS430142 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.172 COc1cccc(c1)[Zn]Br FS430642 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.172 COc1cccc(n1)[Zn]Br FS430147 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.172 CSc1cccc(c1)[Zn]Br FS430183 [1,0,0,0,0,0|2,1,0]=4 18 B10R1.172 CSc1cccc(c1)[Zn]Br FS430682 [1,0,0,0,0,0|2,1,0]=4 19 B12R1.258 B(c1cccc(c1)C(=O)C)(O)O FS000885 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.258 B(c1cccc(c1)C(=O)O)(O)O FS000841 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.258 B(c1cccc(c1)C(C)F)(O)O FS008967 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.435 COC(=O)c1cccc(n1)[Zn]Br FS430418 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.435 COC(=O)c1cccc(n1)[Zn]Br FS430910 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.435 COC(=O)c1ccnc(c1)[Zn]Br FS430421 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.435 COC(=O)c1ccnc(c1)[Zn]Br FS430913 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])I FS000836 [0,1,0,0,0,0|1,0,1]=3 27 B12R1.453 c1cc(c(cc1C=O)C(=O)O)O FS000819 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.438 CC(=O)Oc1cccc(c1)C=O FS011360 [0,0,0,0,0,1|3,0,0]=4 29 B12R1.438 C[C@@H](Cc1cccc(c1)OC)O FS024564 [0,0,0,0,0,1|1,0,1]=3 30 B12R1.438 C[C@H](Cc1cccc(c1)OC)O FS024563 [0,0,0,0,0,1|1,0,1]=3 31 B9R1.2 Cc1cccc(c1)[Zn]Br FS430173 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.2 Cc1cccc(c1)[Zn]Br FS430672 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.2 c1cc(cc(c1)I)CO FS000603 [2,0,0,0,0,0|1,0,1]=4 34 B11R1.21 c1cc(nc(c1F)Br)C(=O)O FS023202 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr FS000051 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.74 c1c(cc(cc1O)Br)C(=O)O FS007934 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.74 c1c(cc(nc1F)F)C(=O)O FS007291 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.159 B(c1cccc(c1F)C)(O)O FS009385 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.159 CC(=O)c1cccc(c1F)Br FS005071 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)N FS007914 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.159 c1cc(c(c(c1)I)Br)C(=O)O FS007747 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.159 c1cc(c(c(c1)O)F)[N+](=O)[O-] FS007311 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.159 c1cnc(c(c1C(=O)O)F)Br FS023205 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.167 Cc1cc(c(nn1)Cl)C(=O)O FS012212 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])I FS000837 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.167 c1cc(c(cc1I)C(=O)O)Br FS000863 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.9 COc1cc(cc(c1)[Zn]Br)F FS430101 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.9 COc1cc(cc(c1)[Zn]Br)F FS430601 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.189 CCOc1cccc(c1)[Zn]Br FS430091 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.189 CCOc1cccc(c1)[Zn]Br FS430592 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.189 COCc1cccc(c1)[Zn]Br FS430492 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.189 COCc1cccc(c1)[Zn]Br FS430976 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.189 COc1cccc(n1)CCO FS010560 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.280 COc1cc(ccc1Cl)[Zn]Br FS430025 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.280 COc1cc(ccc1Cl)[Zn]Br FS430531 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.280 COc1cc(ccc1F)[Mg]Br FS410045 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.280 COc1cc(ccc1F)[Mg]Br FS420041 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.280 COc1cc(ccc1F)[Zn]Br FS430102 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.280 COc1cc(ccc1F)[Zn]Br FS430602 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.280 COc1ccc(c(c1)[Mg]Br)Cl FS410182 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.280 COc1ccc(c(c1)[Mg]Br)Cl FS420177 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.280 COc1ccc(c(c1)[Zn]Br)Cl FS430311 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.280 COc1ccc(c(c1)[Zn]Br)Cl FS430815 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.280 Cc1ccc(cc1OC)[Mg]Br FS410270 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.280 Cc1ccc(cc1OC)[Mg]Br FS420265 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.280 Cc1ccc(cc1OC)[Zn]Br FS430343 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.280 Cc1ccc(cc1OC)[Zn]Br FS430847 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.298 B(c1cc(c(c(c1)F)F)OC)(O)O FS000755 [0,2,0,0,0,0|1,0,1]=4 69 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O FS011456 [0,2,0,0,0,0|1,0,1]=4 70 B13R1.543 CC(=O)c1cccc(c1)C(=O)OC FS005060 [0,2,0,0,0,0|1,0,0]=3 71 B13R1.568 B(c1cccc(c1)OCC#N)(O)O FS010795 [0,2,0,0,0,0|1,0,1]=4 72 B13R1.568 B(c1cccc(c1)OCCC)(O)O FS011458 [0,2,0,0,0,0|1,0,1]=4 73 B9R1.35 Cc1cc(sn1)C(=O)O FS008751 [1,0,0,0,1,0|2,0,0]=4 74 B9R1.41 c1csc(c1Br)C(=O)O FS000850 [1,0,0,0,1,0|2,0,0]=4 75 B11R1.157 C[C@@H](Cc1cccc(c1)O)O FS024550 [1,0,0,0,0,1|1,0,1]=4 76 B11R1.157 C[C@H](Cc1cccc(c1)O)O FS024549 [1,0,0,0,0,1|1,0,1]=4 77 B11R1.157 c1cc(nc(c1)Cl)CC(=O)O FS011485 [1,0,0,0,0,1|2,0,0]=4