0 B13R2.435 B(c1cc2ccccc2o1)(O)O LS00109 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.435 B(c1cc2ccccc2s1)(O)O LS11084 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.435 c1ccc2c(c1)CC(N2)C(=O)O LS20412 [0,0,0,0,0,0|0,0,2]=2 3 B13R2.435 c1ccc2c(c1)C[C@H](N2)C(=O)O LS30268 [0,0,0,0,0,0|0,0,2]=2 4 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O LS40345 [0,0,0,0,0,0|1,0,0]=1 5 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br LS20433 [0,1,0,0,0,0|0,0,0]=1 6 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O LS20431 [0,1,0,0,0,0|0,0,0]=1 7 B14R2.4529 c1cc2c(cc1N)cc(o2)C(=O)O LS41072 [0,1,0,0,0,0|1,0,0]=2 8 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Br LS40988 [0,1,0,0,0,0|1,0,0]=2 9 B12R1.43 CC(C(=O)O)Nc1ccccc1 LS10086 [0,0,1,0,0,0|0,0,2]=3 10 B12R1.43 C\C(=C/c1ccccc1)\[N+](=O)[O-] LS11815 [0,0,1,0,0,0|2,0,1]=4 11 B14R2.781 B(c1cc2ccccc2nc1)(O)O LS11116 [0,0,0,0,0,1|1,0,2]=4 12 B14R2.781 B(c1ccc2ccccc2c1)(O)O LS40263 [0,0,0,0,0,1|2,0,1]=4 13 B14R2.781 B(c1ccc2ccccc2n1)(O)O LS11115 [0,0,0,0,0,1|1,0,2]=4 14 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O LS20865 [0,0,0,0,0,1|0,0,1]=2 15 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O LS20881 [0,0,0,0,0,1|0,0,1]=2 16 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O LS20864 [0,0,0,0,0,1|0,0,1]=2 17 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O LS20126 [0,0,0,0,0,1|0,0,1]=2 18 B11R1.91 c1cc(cnc1)\C=C\C(=O)O LS20492 [1,0,1,0,0,0|1,0,0]=3 19 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [1,0,1,0,0,0|0,0,0]=2 20 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [2,0,0,0,0,0|1,0,1]=4 21 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [2,0,0,0,0,0|1,0,1]=4 22 B11R2.10 c1ccc2c(c1)[nH]c(n2)N LS11771 [2,0,0,0,0,0|2,0,0]=4 23 B11R2.10 c1ccc2c(c1)[nH]c(n2)S LS21164 [2,0,0,0,0,0|1,1,0]=4 24 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br LS30159 [0,1,1,0,0,0|0,0,2]=4 25 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Br LS30158 [0,1,1,0,0,0|0,0,2]=4 26 B13R1.148 c1cc(cc(c1)Br)C[C@@H](C(=O)O)N LS30161 [0,1,1,0,0,0|0,0,2]=4 27 B13R1.148 c1cc(cc(c1)Br)C[C@H](C(=O)O)N LS30160 [0,1,1,0,0,0|0,0,2]=4 28 B13R2.54 Cc1cccn2c1nc(c2)C=O LS40132 [1,1,0,0,0,0|1,0,1]=4 29 B15R2.1592 COC(=O)c1c(c2c([nH]1)cccn2)Br LS40858 [0,2,0,0,0,0|1,0,0]=3 30 B15R2.1592 COC(=O)c1c(c2c(s1)cccn2)N LS40872 [0,2,0,0,0,0|2,0,0]=4 31 B15R2.1356 CCOC(=O)c1cc2cnccc2[nH]1 LS20984 [0,2,0,0,0,0|1,0,0]=3 32 B15R2.1590 COC(=O)c1cc2cc(ccc2[nH]1)F LS20051 [0,2,0,0,0,0|0,0,0]=2 33 B15R2.4834 COc1ccc2cc([nH]c2c1)C(=O)O LS20609 [0,2,0,0,0,0|0,0,0]=2 34 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O LS20931 [0,0,1,1,0,0|2,0,0]=4 35 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [0,0,1,0,1,0|0,0,2]=4 36 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [0,0,1,0,1,0|0,0,2]=4 37 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [0,0,1,0,1,0|1,0,1]=4 38 B11R1.86 c1ccc(c(c1)CC(=O)O)O LS10642 [0,0,1,0,1,0|1,0,1]=4 39 B13R2.57 c1cc2cc(ccc2nc1)C=O LS00079 [1,0,0,0,0,1|2,0,0]=4 40 B13R2.57 c1ccc2cc(ccc2c1)C=O LS40773 [1,0,0,0,0,1|1,0,0]=3 41 B13R2.57 c1ccc2cc(ccc2c1)CO LS40771 [1,0,0,0,0,1|1,0,1]=4 42 B15R2.1668 c1cc2cc(ccc2nc1)CC(=O)O LS20576 [0,0,0,0,0,2|2,0,0]=4