0 B14R1.623 B(c1ccccc1C(=O)OCC)(O)O H25867 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.623 CCOC(=O)c1ccccc1[N+](=O)[O-] A19994 [0,0,0,0,0,0|1,0,1]=2 2 B13R1.464 CCNC(=O)c1ccccc1OC H59445 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.464 CCOC(=O)c1ccccc1OC A11287 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.547 B(c1ccccc1C(=O)NC)(O)O H54628 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.547 B(c1ccccc1C(=O)OC)(O)O L17958 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.547 CN(C)c1ccccc1C(=O)OC L12066 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.547 COC(=O)c1ccccc1C(=O)O A14780 [1,0,0,0,0,0|0,0,0]=1 8 B13R1.547 COC(=O)c1ccccc1[N+](=O)[O-] B23009 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.547 c1ccc(c(c1)C(=O)CBr)[N+](=O)[O-] H30275 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.547 c1ccc(c(c1)C(=O)[O-])C(=O)O[O-] B20565 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.572 B(c1ccccc1COCC)(O)O H53269 [1,0,0,0,0,0|1,0,2]=4 12 B13R1.572 CCCOc1ccccc1C(=O)O B24581 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.572 CCCSc1c(cccn1)C(=O)O A14623 [1,0,0,0,0,0|3,0,0]=4 14 B15R1.765 B(c1ccc(cc1C(=O)OCC)Cl)(O)O H53153 [0,1,0,0,0,0|1,0,1]=3 15 B15R1.765 B(c1ccc(cc1C(=O)OCC)F)(O)O H61322 [0,1,0,0,0,0|1,0,1]=3 16 B15R1.811 CCOC(=O)c1ccccc1C(F)(F)F A16215 [0,1,0,0,0,0|2,0,1]=4 17 B15R1.811 [B-](c1ccccc1C(=O)OCC)(F)(F)F H52760 [0,1,0,0,0,0|3,0,0]=4 18 B15R1.5509 CC(C)OC(=O)c1c(cccn1)C(=O)C L13583 [0,1,0,0,0,0|2,0,0]=3 19 B15R1.10569 B(c1cc(ccc1C(=O)OCC)Cl)(O)O H53016 [0,1,0,0,0,0|1,0,1]=3 20 B12R1.77 CNc1ccccc1C(=O)OC B20233 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.77 COC(=O)c1ccccc1SC A10905 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.77 COc1ccccc1C(=O)OC A17703 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.121 CCCOc1ccccc1C=O H50473 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.308 CCNC(=O)c1ccccc1Cl H59064 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.308 CCNC(=O)c1ccccc1F H59435 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.308 CCOC(=O)c1ccccc1Br A13166 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.308 CCOC(=O)c1ccccc1C L00598 [2,0,0,0,0,0|0,0,1]=3 28 B12R1.308 CCOC(=O)c1ccccc1Cl A10141 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.308 CCOC(=O)c1ccccc1F A16564 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.308 CCOC(=O)c1ccccc1I L07650 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.308 CCOC(=O)c1ccccc1N A14378 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.308 CCOC(=O)c1ccccc1O A10101 [2,0,0,0,0,0|0,0,0]=2 33 B12R1.308 CCOC(=O)c1ccccc1[Zn+] H58721 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.308 CCOC(=O)c1cccnc1Br H52335 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.308 CCOC(=O)c1cccnc1C L03256 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.308 CCOC(=O)c1cccnc1Cl B20359 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.308 CCOC(=O)c1cccnc1N H64957 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.308 CCOC(=O)c1ccncc1N H64188 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.261 B(c1ccccc1C(=O)C)(O)O H27327 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.261 B(c1ccccc1C(=O)O)(O)O L16301 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.261 CC(=O)c1ccccc1C(=O)O A10216 [2,0,0,0,0,0|0,0,0]=2 42 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] A13208 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.261 CN(C)c1ccccc1C(=O)O A12967 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.261 CS(=O)c1ccccc1C(=O)O H27144 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)O A11414 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.261 c1ccc(c(c1)C(=O)Cl)C(=O)Cl L08753 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.261 c1ccc(c(c1)C(=O)N)C(=O)N L08600 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.261 c1ccc(c(c1)C(=O)N)C(=O)O L12432 [2,0,0,0,0,0|1,0,0]=3 49 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)O 41770 [2,0,0,0,0,0|0,0,0]=2 50 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)O A14450 [2,0,0,0,0,0|0,0,0]=2 51 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)[O-] 41360 [2,0,0,0,0,0|0,0,1]=3 52 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)[O-] A12895 [2,0,0,0,0,0|0,0,1]=3 53 B12R1.261 c1ccc(c(c1)C(=O)O)[N+](=O)[O-] A10393 [2,0,0,0,0,0|1,0,1]=4 54 B12R1.261 c1cnc(c(n1)C(=O)O)C(=O)O B22108 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.261 c1cncc(c1C(=O)O)C(=O)O A14580 [2,0,0,0,0,0|1,0,0]=3 56 B12R1.283 B(c1ccccc1OCC)(O)O B23644 [2,0,0,0,0,0|1,0,1]=4 57 B12R1.283 CCOc1c(cccn1)C(=O)O B20887 [2,0,0,0,0,0|1,0,0]=3 58 B12R1.283 CCOc1ccccc1C(=O)C B20113 [2,0,0,0,0,0|1,0,0]=3 59 B12R1.283 CCOc1ccccc1C(=O)Cl L17686 [2,0,0,0,0,0|1,0,0]=3 60 B12R1.283 CCOc1ccccc1C(=O)N B25455 [2,0,0,0,0,0|1,0,0]=3 61 B12R1.283 CCOc1ccccc1C(=O)O A14758 [2,0,0,0,0,0|0,0,0]=2 62 B12R1.283 CCOc1ccccc1C(=S)N H33353 [2,0,0,0,0,0|1,1,0]=4 63 B12R1.283 CCSc1c(cccn1)C(=O)O L07801 [2,0,0,0,0,0|1,1,0]=4 64 B14R1.263 CCOC(=O)c1ccccc1N=C=O L09560 [1,1,0,0,0,0|0,0,1]=3 65 B14R1.263 CCOC(=O)c1ccccc1N=C=S L12569 [1,1,0,0,0,0|0,1,1]=4 66 B14R1.707 B(c1ccc(cc1C(=O)OC)F)(O)O H53254 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.707 COC(=O)c1cc(ccc1[N+](=O)[O-])Cl A19098 [1,1,0,0,0,0|1,0,1]=4 68 B14R1.707 COC(=O)c1cc(ccc1[N+](=O)[O-])F H61307 [1,1,0,0,0,0|1,0,1]=4 69 B14R1.745 COC(=O)c1ccccc1S(=O)(=O)Cl B23211 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.745 COC(=O)c1ccccc1S(=O)(=O)N A13553 [1,1,0,0,0,0|1,0,1]=4 71 B14R1.746 COC(=O)c1ccccc1C(=O)OC A14253 [1,1,0,0,0,0|0,0,0]=2 72 B14R1.746 COC(=O)c1cccnc1C(=O)OC H64939 [1,1,0,0,0,0|1,0,0]=3 73 B14R1.1126 B(c1cc(ccc1C(=O)OC)F)(O)O H52756 [1,1,0,0,0,0|1,0,1]=4 74 B14R1.1153 Cc1cccc(c1[N+](=O)[O-])C(=O)OC H61907 [1,1,0,0,0,0|1,0,1]=4 75 B16R1.14964 CCOC(=O)c1ccccc1C(=O)OCC A17529 [0,2,0,0,0,0|0,0,0]=2 76 B16R1.12475 CC(C)(C)NC(=O)c1ccccc1C(=O)O H57518 [0,2,0,0,0,0|1,0,0]=3 77 B16R1.12475 CC(C)(C)OC(=O)c1ccccc1C(=O)O L08534 [0,2,0,0,0,0|0,0,0]=2 78 B14R1.468 CCOc1cccc(c1)\C=C\C(=O)O L08607 [0,0,1,1,0,0|1,0,0]=3 79 B14R2.215 CCN1C(=O)c2ccccc2C1=O A16014 [1,0,0,1,0,0|1,0,0]=3 80 B14R2.215 c1ccc2c(c1)C(=O)N(C2=O)CBr L02818 [1,0,0,1,0,0|2,0,0]=4 81 B14R2.215 c1ccc2c(c1)C(=O)N(C2=O)CCl A12018 [1,0,0,1,0,0|2,0,0]=4 82 B14R2.215 c1ccc2c(c1)C(=O)N(C2=O)CO B21292 [1,0,0,1,0,0|2,0,0]=4 83 B14R2.510 CC\C=C/1\c2ccccc2C(=O)O1 A13319 [1,0,0,1,0,0|1,0,1]=4 84 B14R2.7724 CC1=CC(=O)c2ccccc2C1=O A13593 [1,0,0,1,0,0|1,0,1]=4 85 B14R2.1131 COc1ccc(c2c1cccc2)O B20701 [1,0,0,1,0,0|2,0,0]=4 86 B14R1.617 B(c1cccc(c1)C(=O)OCC)(O)O H26615 [0,0,0,0,1,1|1,0,1]=4 87 B14R1.617 CCOC(=O)c1cccc(c1)[N+](=O)[O-] A10626 [0,0,0,0,1,1|1,0,1]=4 88 B14R1.617 CCOC(=O)c1ccnc(c1)C(=O)C H36911 [0,0,0,0,1,1|2,0,0]=4