0 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 T6782 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.1 OC\C=C\c1ccc(O)cc1 TN2028 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.16 O=C(CCCl)c1ccccc1 T1342 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.16 O=C(NCO)c1cccnc1 T7869 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.22 CCC(C)C1=CC=C(O)C=C1 T12515 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.22 O=C(CBr)c1ccc(O)cc1 T7084 [1,0,0,0,0,0|2,0,0]=3 11 B13R1.17 CCCOC(=O)c1ccc(O)cc1 T5557 [0,1,0,0,0,0|1,0,0]=2 12 B13R1.17 NCCNC(=O)c1ccc(Cl)cn1 T5470 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.17 NCCNC(=O)c1ccc(Cl)cn1 T5678 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.17 O=C(NCCO)c1ccc(O)cc1 TN1456 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.132 CC(C)OC(=O)c1ccc(O)cc1 T5686 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.466 CCOC(=O)c1ccc(O)c(O)c1 T5684 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 T0948 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.5179 O=C1CCCC2=C1C=CC(Cl)=C2 T21355 [0,0,0,1,0,0|2,0,0]=3 19 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [2,0,0,0,0,0|0,0,2]=4 21 B10R1.15 CNC(=O)c1cccnc1 T5233 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.15 COC(=O)c1cccnc1 T5562 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [2,0,0,0,0,0|0,0,0]=2 27 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.308 CCOC(=O)c1ccccc1O TN1625 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.5 COc1ccc(C(=O)CBr)cc1 T7541 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.367 COC(=O)c1ccc(O)c(O)c1 T1368 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.1579 CCOC(=O)C1=C(C)C(C)=CN1 T21349 [0,1,0,0,1,0|2,0,0]=4 35 B14R1.19 CCCCOC(=O)C1=CC=C(O)C=C1 T0927 [0,2,0,0,0,0|1,0,0]=3 36 B14R1.19 CCCCOC(=O)c1ccc(N)cc1 T0916 [0,2,0,0,0,0|0,0,0]=2 37 B14R1.678 CC(C)COC(=O)c1ccc(O)cc1 T5670 [0,2,0,0,0,0|1,0,0]=3 38 B14R1.678 Nc1ccc(C(=O)NCC(=O)O)cc1 T1436 [0,2,0,0,0,0|1,0,1]=4 39 B14R1.678 Nc1ccc(C(=O)NCC(=O)[O-])cc1 T5039 [0,2,0,0,0,0|1,0,1]=4 40 B14R1.88 CCN(CC)C(=O)c1ccc(Cl)cc1 T4630 [0,2,0,0,0,0|2,0,0]=4 41 B14R1.626 CCOC(=O)c1ccc(O)c(OC)c1 T2929 [0,2,0,0,0,0|1,0,0]=3 42 B14R1.6821 CCOC(=O)c1cc(O)c(O)c(O)c1 T3729 [0,2,0,0,0,0|1,0,0]=3 43 B14R1.18811 CCOC(=O)c1c(C)cc(O)cc1O T2784 [0,2,0,0,0,0|1,0,0]=3