0 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.15 COC(=O)C1=CCCNC1 T5805 [0,0,0,0,0,0|0,0,4]=4 3 B10R1.15 COC(=O)c1cccnc1 T5562 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.15 NNC(=O)C1=CC=CC=N1 T1374 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.15 NNC(=O)c1cccnc1 T0664 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 NNC(=O)c1ccncc1 T0972 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.6 N=C(N)c1ccccc1 T8362 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.6 NC(=O)c1cnccn1 T1426 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.6 O=C(O)c1ccccn1 T4850 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.6 O=C(O)c1cccnc1 T0879 [1,0,0,0,0,0|0,0,0]=1 19 B9R1.6 O=C(O)c1ccncc1 Fr13756 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.6 O=C(O)c1cnccn1 T0569 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.6 O=C([O-])c1ccccc1 T8124 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.6 O=C([O-])c1ccccn1 T4575 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.16 O=C(CCCl)c1ccccc1 T1342 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.16 O=C(NCO)c1cccnc1 T7869 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.22 O=C(CBr)c1ccc(O)cc1 T7084 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [0,1,0,0,0,0|0,0,0]=1 29 B11R1.36 O=C(O)C(=O)c1ccccc1 T8025 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.222 COC(=O)C1=NC=CN=C1N T22363 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.222 COC(=O)c1ccccc1N TN1925 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,0,0,0,0|1,0,0]=2 33 B11R2.1 O=C1CCc2ccccc21 T0564 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.11 COC(=O)c1ccco1 T8022 [0,0,0,0,1,0|1,0,0]=2 35 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|1,0,1]=4 36 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|1,0,0]=3 37 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|1,0,1]=4 38 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|0,0,1]=3 39 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [1,1,0,0,0,0|0,0,0]=2 44 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.13 O=C(O)C1=NC=C(O)N=C1 T10171 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.61 Cc1ccccc1C(=O)O T8068 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.61 O=C(O)C1=NC=CC=C1S T12929 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.61 O=C(O)c1ccccc1O T0649 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.61 O=C(O)c1ncccc1O T5986 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.61 O=C([O-])c1ccccc1O T0335 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [1,1,0,0,0,0|0,0,1]=3 57 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [1,1,0,0,0,0|0,0,2]=4 58 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.113 Cc1cccc(C(=O)Cl)c1 T7850 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.113 O=C(O)c1ccc[n+]([O-])c1 T0067 [1,1,0,0,0,0|0,0,1]=3 63 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,1,0,0,0,1|1,0,0]=3 66 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 T6782 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [0,2,0,0,0,0|1,0,0]=3 70 B12R1.308 CCOC(=O)c1ccccc1O TN1625 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.367 COC(=O)c1ccc(O)c(O)c1 T1368 [0,2,0,0,0,0|1,0,0]=3 72 B12R1.358 COC(=O)c1cc(O)cc(O)c1 T1355 [0,2,0,0,0,0|1,0,0]=3 73 B12R2.18 CC1C(=O)Nc2ccccc21 T0538 [0,0,0,1,0,1|2,0,0]=4 74 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,1|2,0,0]=4 75 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,1|2,0,0]=4 76 B12R2.2 c1cncc(C2=NCCC2)c1 T7671 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.7 O=C(O)C1=NC=NN1 T1371 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.7 O=C(O)c1ccco1 T5544 [1,0,0,0,1,0|1,0,0]=3 79 B8R1.7 O=C(O)c1ccoc1 T5277 [1,0,0,0,1,0|1,0,0]=3 80 B8R1.7 O=C(O)c1cnsc1 T4675 [1,0,0,0,1,0|1,0,0]=3 81 B12R1.27 COC(=O)\C=C\c1ccccc1 T5552 [0,0,0,0,0,2|1,0,0]=3