0 B13R1.547 B(c1ccccc1C(=O)NC)(O)O H54628 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.547 B(c1ccccc1C(=O)OC)(O)O L17958 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.547 CN(C)c1ccccc1C(=O)OC L12066 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.547 COC(=O)c1ccccc1C(=O)O A14780 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.547 COC(=O)c1ccccc1[N+](=O)[O-] B23009 [0,0,0,0,0,0|2,0,1]=3 5 B13R1.547 c1ccc(c(c1)C(=O)[O-])C(=O)O[O-] B20565 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.77 CNC(=O)c1ccccc1OC H56836 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.77 CNc1ccccc1C(=O)OC B20233 [1,0,0,0,0,0|0,0,0]=1 8 B12R1.77 COC(=O)c1ccccc1SC A10905 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.77 COc1ccccc1C(=O)CBr L07696 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.77 COc1ccccc1C(=O)NN A13619 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.77 COc1ccccc1C(=O)OC A17703 [1,0,0,0,0,0|1,0,0]=2 12 B12R1.261 B(c1ccccc1C(=O)C)(O)O H27327 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.261 B(c1ccccc1C(=O)O)(O)O L16301 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.261 B(c1ccccc1C(C)C)(O)O L20110 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.261 CC(=O)c1ccccc1C(=O)O A10216 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] A13208 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.261 CN(C)c1ccccc1C(=O)O A12967 [1,0,0,0,0,0|0,0,0]=1 18 B12R1.261 CS(=O)c1ccccc1C(=O)O H27144 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.261 C[SiH](C)c1ccccc1[SiH](C)C 43755 [1,0,0,0,0,0|2,1,0]=4 20 B12R1.261 c1ccc(c(c1)C(=O)N)C(=O)O L12432 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)O 41770 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)O A14450 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)[O-] 41360 [1,0,0,0,0,0|3,0,0]=4 24 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)[O-] A12895 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.261 c1ccc(c(c1)C(=O)O)[N+](=O)[O-] A10393 [1,0,0,0,0,0|2,0,1]=4 26 B14R1.623 B(c1ccccc1C(=O)OCC)(O)O H25867 [0,1,0,0,0,0|3,0,0]=4 27 B14R1.623 CCOC(=O)c1ccccc1[N+](=O)[O-] A19994 [0,1,0,0,0,0|2,0,1]=4 28 B14R1.707 B(c1ccc(cc1C(=O)OC)F)(O)O H53254 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.707 COC(=O)c1cc(ccc1[N+](=O)[O-])Cl A19098 [0,1,0,0,0,0|2,0,1]=4 30 B14R1.707 COC(=O)c1cc(ccc1[N+](=O)[O-])F H61307 [0,1,0,0,0,0|2,0,1]=4 31 B14R1.745 COC(=O)c1ccccc1C(F)(F)F L14132 [0,1,0,0,0,0|3,0,0]=4 32 B14R1.745 COC(=O)c1ccccc1S(=O)(=O)Cl B23211 [0,1,0,0,0,0|3,0,0]=4 33 B14R1.745 COC(=O)c1ccccc1S(=O)(=O)N A13553 [0,1,0,0,0,0|3,0,0]=4 34 B14R1.746 COC(=O)c1ccccc1C(=O)OC A14253 [0,1,0,0,0,0|2,0,0]=3 35 B14R1.746 COC(=O)c1cccnc1C(=O)OC H64939 [0,1,0,0,0,0|3,0,0]=4 36 B14R1.1126 B(c1cc(ccc1C(=O)OC)F)(O)O H52756 [0,1,0,0,0,0|3,0,0]=4 37 B14R1.1153 Cc1cccc(c1[N+](=O)[O-])C(=O)OC H61907 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.53 C=Cc1ccccc1C(=O)O H31723 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.53 CC(=O)c1ccccc1OC A11929 [2,0,0,0,0,0|1,0,0]=3 40 B11R1.53 CC(C)c1ccccc1OC H53383 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.53 CNc1ccccc1C(=O)O B20531 [2,0,0,0,0,0|0,0,0]=2 42 B11R1.53 CNc1ccccc1[N+](=O)[O-] A19538 [2,0,0,0,0,0|1,0,1]=4 43 B11R1.53 COc1c(cccn1)C(=O)O A13193 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.53 COc1ccccc1C(=O)Cl B22784 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.53 COc1ccccc1C(=O)N A12520 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.53 COc1ccccc1C(=O)O A13513 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.53 CSc1c(cccn1)C(=O)O L09920 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.53 CSc1ccccc1C(=O)O A10379 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.53 C[C@@H](c1ccccc1OC)N H26948 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.53 C[C@H](c1ccccc1OC)N H27669 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.53 c1ccc(c(c1)C#N)C(=O)O H50237 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.53 c1ccc(c(c1)C(=O)O)I=O L15606 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.53 c1ccc(c(c1)C(=O)O)NN L11015 [2,0,0,0,0,0|1,0,0]=3 54 B11R1.53 c1ccc(c(c1)C=O)C(=O)O A11201 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.53 c1ccc(c(c1)CBr)C(=O)O H28927 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.222 CCC(=O)c1ccccc1F L12423 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.222 CCC(=O)c1ccccc1O B25442 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.222 CNC(=O)c1ccccc1Br H50583 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.222 CNC(=O)c1ccccc1Cl H56910 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.222 CNC(=O)c1ccccc1F H56104 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.222 COC(=O)c1c(nccn1)N H29172 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.222 COC(=O)c1ccccc1Br A12435 [2,0,0,0,0,0|1,0,0]=3 63 B11R1.222 COC(=O)c1ccccc1Cl A11237 [2,0,0,0,0,0|1,0,0]=3 64 B11R1.222 COC(=O)c1ccccc1F A16133 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.222 COC(=O)c1ccccc1I A13204 [2,0,0,0,0,0|1,0,0]=3 66 B11R1.222 COC(=O)c1ccccc1N A15681 [2,0,0,0,0,0|0,0,0]=2 67 B11R1.222 COC(=O)c1ccccc1O A10578 [2,0,0,0,0,0|1,0,0]=3 68 B11R1.222 COC(=O)c1ccccc1S H28400 [2,0,0,0,0,0|1,0,0]=3 69 B11R1.222 COC(=O)c1cccnc1Cl H64798 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.222 COC(=O)c1cccnc1N H50013 [2,0,0,0,0,0|1,0,0]=3 71 B11R1.222 COC(=O)c1cccnc1O H33334 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.222 COC(=O)c1cccoc1=O H25932 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.222 COC(=O)c1ccncc1N H34007 [2,0,0,0,0,0|1,0,0]=3 74 B11R1.222 COC(=O)c1cnccc1N B25324 [2,0,0,0,0,0|1,0,0]=3 75 B11R1.222 Cc1c(cccn1)C(=O)OC L09074 [2,0,0,0,0,0|1,0,0]=3 76 B11R1.222 Cc1ccccc1C(=O)CBr H64651 [2,0,0,0,0,0|2,0,0]=4 77 B11R1.222 Cc1ccccc1C(=O)NN L00668 [2,0,0,0,0,0|2,0,0]=4 78 B11R1.222 Cc1ccccc1C(=O)OC A15695 [2,0,0,0,0,0|0,0,0]=2 79 B11R1.222 c1ccc(c(c1)C(=O)NN)N A10805 [2,0,0,0,0,0|2,0,0]=4 80 B13R1.89 CN(C)C(=O)c1ccccc1OC H59312 [1,1,0,0,0,0|2,0,0]=4 81 B13R1.107 COc1c(cccc1F)C(=O)OC H32147 [1,1,0,0,0,0|1,0,0]=3 82 B13R1.382 COC(=O)c1ccccc1N=C=O L12471 [1,1,0,0,0,0|0,0,2]=4 83 B13R1.382 COC(=O)c1ccccc1N=C=S B20693 [1,1,0,0,0,0|0,0,2]=4 84 B13R1.464 CCNC(=O)c1ccccc1OC H59445 [1,1,0,0,0,0|2,0,0]=4 85 B13R1.464 CCOC(=O)c1ccccc1OC A11287 [1,1,0,0,0,0|1,0,0]=3 86 B13R1.2065 COC(=O)c1ccc(cc1CBr)Br H52350 [1,1,0,0,0,0|2,0,0]=4 87 B13R1.2065 COc1cc(ccc1C(=O)OC)Br H27773 [1,1,0,0,0,0|1,0,0]=3 88 B13R1.2065 COc1cc(ccc1C(=O)OC)F H52370 [1,1,0,0,0,0|1,0,0]=3 89 B13R1.2065 COc1cc(ccc1C(=O)OC)I B25529 [1,1,0,0,0,0|1,0,0]=3 90 B13R1.2065 COc1cc(ccc1C(=O)OC)N A13239 [1,1,0,0,0,0|1,0,0]=3 91 B13R1.2209 COc1c(cc(cn1)Br)C(=O)OC H50066 [1,1,0,0,0,0|2,0,0]=4 92 B13R1.2209 COc1ccc(cc1C(=O)OC)Cl A10787 [1,1,0,0,0,0|1,0,0]=3 93 B13R1.2357 COc1cccc(c1C(=O)OC)F H32955 [1,1,0,0,0,0|1,0,0]=3 94 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])Cl H63169 [1,1,0,0,0,0|1,0,1]=4 95 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])F H63357 [1,1,0,0,0,0|1,0,1]=4 96 B13R1.295 CN(C)c1c(cccc1Cl)[N+](=O)[O-] H63288 [1,1,0,0,0,0|1,0,1]=4 97 B13R1.295 CN(C)c1c(cccc1F)[N+](=O)[O-] H63011 [1,1,0,0,0,0|1,0,1]=4 98 B13R1.349 CS(=O)(=O)c1ccccc1C(=O)O H51018 [1,1,0,0,0,0|2,0,0]=4 99 B15R1.925 CC(=O)Nc1ccc(cc1C(=O)OC)Br A17087 [0,1,0,0,0,1|2,0,0]=4 100 B15R1.925 CC(=O)Nc1ccc(cc1C(=O)OC)Cl A16826 [0,1,0,0,0,1|2,0,0]=4 101 B13R2.32 CC1CCc2ccccc2C1=O H31865 [1,0,0,1,0,0|2,0,0]=4 102 B13R2.371 CC1CCC(=O)c2c1cccc2 B21967 [1,0,0,1,0,0|2,0,0]=4 103 B13R2.582 COc1cccc2c1C(=O)CC2 H66249 [1,0,0,1,0,0|2,0,0]=4 104 B13R2.3085 CN1c2ccccc2C(=O)C1=O A12942 [1,0,0,1,0,0|2,0,0]=4 105 B13R2.5252 c1ccc2c(c1)C(=O)OCCO2 L13582 [1,0,0,1,0,0|1,0,0]=3 106 B15R2.19309 COC(=O)c1cccc2c1NC(=O)C2 H66091 [0,0,0,1,0,1|2,0,0]=4 107 B11R1.59 COc1ccsc1C(=O)OC B20586 [1,0,0,0,1,0|2,0,0]=4