0 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.16 CCOC(=O)c1ccc(N)cc1 T6782 [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 B12R1.16 OCCC(=O)c1ccc(O)cc1 TN5924 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.1 OCC=Cc1ccc(O)cc1 TN2028 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.16 CCCC(=O)c1ccccc1 T20324 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.16 CCOC(=O)c1ccccc1 TN4020 [1,0,0,0,0,0|0,0,0]=1 9 B11R1.16 ClCCC(=O)c1ccccc1 T1342 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.16 OCNC(=O)c1cccnc1 T7869 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.22 COC(=O)c1ccc(O)cn1 T40388 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.22 Clc1ccc(cc1)C(=O)CBr T8908 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.22 NNC(=O)c1ccc(N)cc1 T26389 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.22 Oc1ccc(cc1)C(=O)CBr T7084 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.17 CCCCC(=O)c1ccc(O)cc1 T20372 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.17 CCCOC(=O)c1ccc(N)cc1 T20260 [0,1,0,0,0,0|0,0,0]=1 20 B13R1.17 CCCOC(=O)c1ccc(O)cc1 T5557 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.17 NCCNC(=O)c1ccc(Cl)cn1 T5470 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.17 NCCNC(=O)c1ccc(Cl)cn1 T5678 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.17 O=C(NCCN)C1=CC=C(Cl)C=C1 T28559 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.17 OCCNC(=O)c1ccc(O)cc1 TN1456 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.132 CC(C)OC(=O)c1ccc(O)cc1 T5686 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.466 CCOC(=O)c1ccc(O)c(O)c1 T5684 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 T0948 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 T23571 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.5179 Clc1ccc2C(=O)CCCc2c1 T21355 [0,0,0,1,0,0|2,0,0]=3 30 B13R1.19 CCOC(=O)Cc1ccc(O)cc1 Fr12415 [0,0,0,0,0,1|1,0,0]=2 31 B10R1.17 CCOCc1ccccc1 T36790 [2,0,0,0,0,0|0,0,1]=3 32 B10R1.17 OC/C=C/c1ccccc1 TN2982 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.17 OCC=Cc1ccccc1 T5S1550 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.15 C=CC(=O)c1ccccc1 T20607 [2,0,0,0,0,0|0,0,2]=4 35 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.15 CNC(=O)c1ccccc1 T12150 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.15 CNC(=O)c1cccnc1 T5233 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.15 COC(=O)c1cccnc1 T5562 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.15 COC(c1ncccc1)=O T22220 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.15 O=CC(=O)c1ccccc1 T38465 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [2,0,0,0,0,0|1,0,0]=3 43 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [2,0,0,0,0,0|0,0,0]=2 47 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.17 CCOC(=O)c1cccc(O)c1 T20469 [1,1,0,0,0,0|0,0,0]=2 52 B12R1.17 CCOC(c1cc(N)ccc1)=O T21483 [1,1,0,0,0,0|0,0,0]=2 53 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.107 CC(C)CC(=O)c1ccccc1 T20363 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.107 CC(C)OC(=O)c1ccccc1 T32225 [1,1,0,0,0,0|0,0,0]=2 56 B12R1.308 CCOC(=O)c1ccccc1O TN1625 [1,1,0,0,0,0|0,0,0]=2 57 B12R1.308 NCCC(=O)c1ccccc1N T32431 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.5 COC(=O)c1ccc(OC)cc1 T20257 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.5 COc1ccc(cc1)C(=O)CBr T7541 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.367 COC(=O)c1cc(O)c(O)cc1 T1368 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.1703 COC(=O)c1ccc(O)cc1O TN6707 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.1579 CCOC(=O)c1[nH]cc(C)c1C T21349 [0,1,0,0,1,0|2,0,0]=4 63 B14R1.6823 CCOC(=O)Cc1ccc(O)cc1O TMA0518 [0,1,0,0,0,1|1,0,0]=3 64 B14R1.19164 CCOC(=O)CC1(O)C=CC(=O)C=C1 TN4015 [0,1,0,0,0,1|1,0,1]=4 65 B14R1.19 CCCCOC(=O)c1ccc(N)cc1 T0916 [0,2,0,0,0,0|0,0,0]=2 66 B14R1.19 CCCCOC(=O)c1ccc(O)cc1 T0927 [0,2,0,0,0,0|1,0,0]=3 67 B14R1.678 CC(C)COC(=O)c1ccc(N)cc1 T20336 [0,2,0,0,0,0|0,0,0]=2 68 B14R1.678 CC(C)COC(=O)c1ccc(O)cc1 T5670 [0,2,0,0,0,0|1,0,0]=3 69 B14R1.678 Nc1ccc(cc1)C(=O)NCC(O)=O T1436 [0,2,0,0,0,0|1,0,1]=4 70 B14R1.678 Nc1ccc(cc1)C(=O)NCC([O-])=O T5039 [0,2,0,0,0,0|1,0,1]=4 71 B14R1.88 CCN(CC)C(=O)c1ccc(C)cc1 T20459 [0,2,0,0,0,0|2,0,0]=4 72 B14R1.88 CCN(CC)C(=O)c1ccc(Cl)cc1 T4630 [0,2,0,0,0,0|2,0,0]=4 73 B14R1.626 CCOC(=O)c1ccc(O)c(OC)c1 T2929 [0,2,0,0,0,0|1,0,0]=3 74 B14R1.6821 CCOC(=O)c1cc(O)c(O)c(O)c1 T3729 [0,2,0,0,0,0|1,0,0]=3 75 B14R1.18811 CCOC(=O)c1c(C)cc(O)cc1O T2784 [0,2,0,0,0,0|1,0,0]=3 76 B14R1.18811 CCOC(=O)c1c(O)cc(O)cc1O TN4016 [0,2,0,0,0,0|1,0,0]=3 77 B14R2.106 CCSc1nc2ccc(N)cc2s1 T30460 [0,0,0,1,0,1|0,2,0]=4 78 B10R1.11 CCCC(=O)c1cccs1 T20377 [1,0,0,0,1,0|2,0,0]=4 79 B12R1.32 CCCC(=O)Oc1ccccc1 T25946 [1,0,0,0,0,1|1,0,0]=3 80 B12R1.32 CCOC(=O)Cc1ccccc1 T19317 [1,0,0,0,0,1|0,0,0]=2 81 B14R1.502 CCOC(=O)/C=C/c1ccc(O)cc1 T13808 [0,0,0,0,0,2|1,0,0]=3