0 B13R1.382 COC(=O)c1ccccc1N=C=O L12471 [1,0,0,0,0,0|0,0,2]=3 1 B13R1.382 COC(=O)c1ccccc1N=C=S B20693 [1,0,0,0,0,0|0,1,2]=4 2 B13R1.589 B(c1ccccc1NC(=O)C)(O)O H53302 [1,0,0,0,0,0|1,0,1]=3 3 B13R1.589 CC(=O)Nc1ccccc1C(=O)O A13600 [1,0,0,0,0,0|0,0,0]=1 4 B13R1.589 CC(=O)Nc1ccccc1[N+](=O)[O-] A16677 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.589 CC(=O)Oc1ccccc1C(=O)Cl L00919 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.589 CC(=O)Oc1ccccc1C(=O)O A12488 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.589 CC(=O)Oc1ccccc1C(=S)N H54033 [1,0,0,0,0,0|2,1,0]=4 8 B13R1.589 CC(=O)c1ccccc1OC(=O)C B21624 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.589 CC(C)c1ccccc1NC(=O)C B21237 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.589 c1ccc(c(c1)CC(=O)O)C(=O)O A14297 [1,0,0,0,0,0|2,0,0]=3 11 B15R1.925 CC(=O)Nc1ccc(cc1C(=O)OC)Br A17087 [0,1,0,0,0,0|0,0,0]=1 12 B15R1.925 CC(=O)Nc1ccc(cc1C(=O)OC)Cl A16826 [0,1,0,0,0,0|0,0,0]=1 13 B15R2.19309 COC(=O)c1cccc2c1NC(=O)C2 H66091 [0,0,0,1,0,0|0,0,0]=1 14 B15R2.24965 CC(=O)N1c2ccccc2C(=O)C1=O L17597 [0,0,0,1,0,0|2,0,0]=3 15 B15R2.39201 CC(=O)n1cc(c2c1cccc2)C=O B21527 [0,0,0,1,0,0|3,0,0]=4 16 B13R1.547 B(c1ccccc1C(=O)OC)(O)O L17958 [0,0,0,0,1,0|2,0,1]=4 17 B13R1.547 CN(C)c1ccccc1C(=O)OC L12066 [0,0,0,0,1,0|2,0,0]=3 18 B13R1.547 COC(=O)c1ccccc1C(=O)O A14780 [0,0,0,0,1,0|1,0,0]=2 19 B13R1.547 COC(=O)c1ccccc1[N+](=O)[O-] B23009 [0,0,0,0,1,0|2,0,0]=3 20 B13R1.547 c1ccc(c(c1)C(=O)[O-])C(=O)O[O-] B20565 [0,0,0,0,1,0|2,0,0]=3 21 B12R1.75 CC(=O)Cc1ccccc1OC B24495 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.75 CC(=O)Oc1ccccc1OC B20242 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.75 COc1ccccc1CC(=O)O A15211 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.75 COc1ccccc1NC(=S)N L11840 [2,0,0,0,0,0|1,1,0]=4 25 B12R1.77 CNC(=O)c1ccccc1OC H56836 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.77 CNc1ccccc1C(=O)OC B20233 [2,0,0,0,0,0|0,0,0]=2 27 B12R1.77 COC(=O)c1ccccc1SC A10905 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.77 COc1ccccc1C(=O)OC A17703 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.283 CCOc1ccccc1C(=O)C B20113 [2,0,0,0,0,0|1,0,1]=4 30 B12R1.283 CCOc1ccccc1C(=O)O A14758 [2,0,0,0,0,0|1,0,1]=4 31 B14R1.263 CCOC(=O)c1ccccc1N=C=O L09560 [1,1,0,0,0,0|0,0,2]=4 32 B14R1.746 COC(=O)c1ccccc1C(=O)OC A14253 [1,1,0,0,0,0|2,0,0]=4 33 B14R1.429 CC(=O)c1ccccc1[C@@H](C(=O)O)O H56567 [1,1,0,0,0,0|2,0,0]=4 34 B14R1.429 CC(=O)c1ccccc1[C@H](C(=O)O)O H56492 [1,1,0,0,0,0|2,0,0]=4 35 B14R1.815 CC(=O)Nc1ccccc1S(=O)(=O)C H26907 [1,1,0,0,0,0|1,0,0]=3 36 B14R1.3302 c1ccc(c(c1)NC(=O)CCl)[N+](=O)[O-] A14221 [1,1,0,0,0,0|1,0,1]=4 37 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)O)Cl L08632 [1,1,0,0,0,0|0,0,0]=2 38 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)O)Br L02139 [1,1,0,0,0,0|0,0,0]=2 39 B14R1.623 CCOC(=O)c1ccccc1[N+](=O)[O-] A19994 [0,1,0,0,1,0|2,0,0]=4 40 B14R1.707 COC(=O)c1cc(ccc1[N+](=O)[O-])Cl A19098 [0,1,0,0,1,0|2,0,0]=4 41 B14R1.707 COC(=O)c1cc(ccc1[N+](=O)[O-])F H61307 [0,1,0,0,1,0|2,0,0]=4 42 B14R1.745 COC(=O)c1ccccc1S(=O)(=O)Cl B23211 [0,1,0,0,1,0|2,0,0]=4 43 B14R1.745 COC(=O)c1ccccc1S(=O)(=O)N A13553 [0,1,0,0,1,0|2,0,0]=4 44 B14R1.1153 Cc1cccc(c1[N+](=O)[O-])C(=O)OC H61907 [0,1,0,0,1,0|2,0,0]=4 45 B16R1.25318 CC(=O)Nc1cc(ccc1CC(=O)OC)Br H33675 [0,1,0,0,0,1|0,0,0]=2 46 B14R2.1146 COc1cc(=O)oc2c1cccc2 A13670 [1,0,0,1,0,0|1,0,1]=4 47 B14R2.10782 COC(=O)c1cccc2c1[nH]cc2 H66729 [1,0,0,1,0,0|0,0,1]=3 48 B14R2.10782 COC(=O)c1cccc2c1[nH]nc2 H32529 [1,0,0,1,0,0|1,0,1]=4 49 B14R2.10782 COC(=O)c1cccc2c1cc[nH]2 L16021 [1,0,0,1,0,0|2,0,0]=4 50 B14R2.7724 CC1=CC(=O)c2ccccc2C1=O A13593 [0,0,0,1,1,0|1,0,1]=4 51 B16R2.400351 CC(=O)c1cn(c2c1cccc2)C(=O)C L03698 [0,1,0,1,0,0|2,0,0]=4 52 B12R1.261 B(c1ccccc1C(=O)C)(O)O H27327 [1,0,0,0,1,0|1,0,1]=4 53 B12R1.261 CC(=O)c1ccccc1C(=O)O A10216 [1,0,0,0,1,0|0,0,0]=2 54 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] A13208 [1,0,0,0,1,0|1,0,1]=4 55 B12R1.261 CN(C)c1ccccc1C(=O)O A12967 [1,0,0,0,1,0|2,0,0]=4 56 B12R1.261 CS(=O)c1ccccc1C(=O)O H27144 [1,0,0,0,1,0|1,0,0]=3 57 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)O A11414 [1,0,0,0,1,0|2,0,0]=4 58 B12R1.261 c1ccc(c(c1)C(=O)Cl)C(=O)Cl L08753 [1,0,0,0,1,0|2,0,0]=4 59 B12R1.261 c1ccc(c(c1)C(=O)N)C(=O)N L08600 [1,0,0,0,1,0|2,0,0]=4 60 B12R1.261 c1ccc(c(c1)C(=O)N)C(=O)O L12432 [1,0,0,0,1,0|1,0,0]=3 61 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)O 41770 [1,0,0,0,1,0|1,0,0]=3 62 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)O A14450 [1,0,0,0,1,0|1,0,0]=3 63 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)[O-] 41360 [1,0,0,0,1,0|1,0,0]=3 64 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)[O-] A12895 [1,0,0,0,1,0|1,0,0]=3 65 B12R1.261 c1ccc(c(c1)C(=O)O)[N+](=O)[O-] A10393 [1,0,0,0,1,0|2,0,0]=4 66 B12R1.261 c1cncc(c1C(=O)O)C(=O)O A14580 [1,0,0,0,1,0|2,0,0]=4 67 B14R1.4522 c1ccc(c(c1)C(=O)O)NCC(=O)O H27701 [1,0,0,0,0,1|1,0,0]=3 68 B14R1.4522 c1ccc(c(c1)C(=O)O)OCC(=O)O L13135 [1,0,0,0,0,1|2,0,0]=4 69 B14R1.4522 c1ccc(c(c1)C(=O)O)SCC(=O)O A12705 [1,0,0,0,0,1|2,0,0]=4 70 B14R1.4522 c1ccc(c(c1)\C=C\C(=O)O)C(=O)O L01467 [1,0,0,0,0,1|2,0,0]=4