0 B13R1.589 CC(=O)OC1=C(C(=O)O)C=CC=C1 01468 [1,0,0,0,0,0|1,0,0]=2 1 B13R1.589 O=C(O)CC1=CC=CC=C1C(=O)O 22040 [1,0,0,0,0,0|2,0,0]=3 2 B15R2.19309 COC(=O)C1=CC=CC2=C1N=C(N)S2 24980 [0,0,0,1,0,0|1,1,1]=4 3 B15R2.39201 CC(=O)N1C=C(C=O)C2=C1C=CC=C2 21537 [0,0,0,1,0,0|3,0,0]=4 4 B15R1.3845 COC(=O)CC1=CC=CC=C1NC(C)=O 26406 [0,0,0,0,0,1|0,0,0]=1 5 B12R1.75 COC1=C(NC(=N)N)C=CC=C1 20809 [2,0,0,0,0,0|2,0,0]=4 6 B12R1.283 CCOC1=C(C(=O)O)C=CC=C1 29904 [2,0,0,0,0,0|1,0,1]=4 7 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 27444 [2,0,0,0,0,0|1,0,1]=4 8 B14R1.707 COC(=O)C1=CC(C)=CC=C1[N+](=O)[O-] 23260 [0,1,0,0,1,0|2,0,0]=4 9 B14R1.707 COC(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-] 28307 [0,1,0,0,1,0|2,0,0]=4 10 B14R1.1153 COC(=O)C1=CC=CC(C)=C1[N+](=O)[O-] 28457 [0,1,0,0,1,0|2,0,0]=4 11 B14R2.10782 COC(=O)C1=C2NC=CC2=CC=C1 21562 [1,0,0,1,0,0|0,0,1]=3 12 B14R2.10782 COC(=O)C1=C2NN=CC2=CC=C1 20749 [1,0,0,1,0,0|1,0,1]=4 13 B14R2.10782 COC(=O)C1=CC=CC2=C1C=CN2 21954 [1,0,0,1,0,0|2,0,0]=4 14 B14R2.25733 CC(=O)N1C=C(O)C2=C1C=CC=C2 21300 [1,0,0,1,0,0|1,0,0]=3 15 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 20900 [1,0,0,1,0,0|0,0,0]=2 16 B14R2.7724 CC1=CC(=O)C2=C(C=CC=C2)C1=O 02868 [0,0,0,1,1,0|1,0,1]=4 17 B16R2.400351 CC(=O)C1=CN(C(C)=O)C2=C1C=CC=C2 20884 [0,1,0,1,0,0|2,0,0]=4 18 B12R1.261 O=C(O)C1=C(C(=O)O)C=CC=C1 32017 [1,0,0,0,1,0|1,0,0]=3 19 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=C1 02237 [1,0,0,0,1,0|2,0,0]=4 20 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=C1 02337 [1,0,0,0,1,0|2,0,0]=4 21 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O 24515 [1,0,0,0,1,0|2,0,0]=4 22 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O 01969 [1,0,0,0,1,0|1,0,0]=3