0 B10R1.17 CNCCc1ccccn1 T0246 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 CNCCc1ccccn1 T0246L [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 CNCCc1ccccn1 T4195 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 NNCCc1ccccc1 T12441 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [0,0,0,0,0,0|0,0,4]=4 5 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [0,0,0,0,0,0|0,0,4]=4 6 B10R1.17 OCCCC1=CC=CC=C1 T3754 [0,0,0,0,0,0|0,0,0]=0 7 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [0,0,0,0,0,0|0,0,2]=2 8 B10R1.17 S=C=NCc1ccccc1 T1082 [0,0,0,0,0,0|1,1,1]=3 9 B9R1.8 NCCC1=NC=CC=C1 T22501 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [1,0,0,0,0,0|0,0,2]=3 13 B9R1.8 OCCC1=CC=CC=C1 T0011 [1,0,0,0,0,0|0,0,0]=1 14 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.1 COCCc1ccc(O)cc1 T0635 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.1 OCCCc1ccc(O)cc1 T3738 [0,1,0,0,0,0|0,0,0]=1 17 B11R1.1 OC\C=C\c1ccc(O)cc1 TN2028 [0,1,0,0,0,0|0,0,2]=3 18 B11R1.16 O=C(CCCl)c1ccccc1 T1342 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.16 O=C(NCO)c1cccnc1 T7869 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.28 NCCSSC1=NC=CC=C1 T19106 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [0,1,0,0,0,0|0,0,2]=3 22 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,1,0,0,0,0|1,0,2]=4 24 B11R1.91 O=C(O)CCc1ccccc1 T3731 [0,1,0,0,0,0|0,0,1]=2 25 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [0,1,0,0,0,0|0,0,3]=4 26 B11R1.91 O=C(O)\C=C\c1ccccc1 T5646 [0,1,0,0,0,0|0,0,3]=4 27 B11R2.1 O=C1CCc2ccccc21 T0564 [0,0,0,1,0,0|0,0,2]=3 28 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,0,0,1,0,0|1,0,0]=2 29 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|0,0,2]=4 32 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|0,0,0]=2 33 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.1 N#CCc1ccc(O)cc1 Fr16745 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.1 NCCc1ccc(O)cc1 T3095 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.10 NCCC1=CC(O)=CC=C1 T11937L [1,1,0,0,0,0|1,0,0]=3 41 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|0,0,0]=2 43 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.18 O=C(O)Cc1cccnc1 T1366 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.21 CCCCCC1=CC=CO1 TCS0324 [0,1,0,0,1,0|2,0,0]=4 46 B12R1.1 CCCCOc1ccc(O)cc1 T1350 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,2,0,0,0,0|1,0,1]=4 48 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.16 CNCC(O)c1ccc(O)cc1 T6688 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,2,0,0,0,0|0,0,2]=4 51 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [0,2,0,0,0,0|0,0,1]=3 53 B12R1.69 CCCCc1ccc(O)cc1O T7125 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.69 Nc1ccc(OCCO)c(N)c1 T5672 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T0453 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.30 CCCCC(O)c1ccccc1 T0857 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.121 COc1ccccc1OCCN T1698 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.125 O=C(O)CCc1ccccc1O T4892 [0,2,0,0,0,0|0,0,1]=3 59 B12R1.226 O=C(O)CCc1cccc(O)c1 T7437 [0,2,0,0,0,0|0,0,1]=3 60 B12R1.32 C#CCN(C)Cc1ccccc1 T0300 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.32 C#CCN(C)Cc1ccccc1 T1578 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.252 O=C(O)CCCc1ccccc1 T5886 [0,2,0,0,0,0|0,0,0]=2 63 B12R1.252 O=C([O-])CCCc1ccccc1 T1535 [0,2,0,0,0,0|0,0,1]=3 64 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O T3377 [0,2,0,0,0,0|0,0,1]=3 65 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O TN1592 [0,2,0,0,0,0|0,0,1]=3 66 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O T0689 [0,2,0,0,0,0|0,0,1]=3 67 B12R1.43 O=C(O)C(=O)Cc1ccccc1 T5251 [0,2,0,0,0,0|0,0,2]=4 68 B12R1.43 O=C(O)C(O)Cc1ccccc1 T4455 [0,2,0,0,0,0|0,0,1]=3 69 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 T5290 [0,2,0,0,0,0|0,0,1]=3 70 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 T5274 [0,2,0,0,0,0|0,0,1]=3 71 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [1,0,0,1,0,0|0,0,0]=2 72 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,1,0,1,0,0|0,0,2]=4 73 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,1,0,1,0,0|0,0,1]=3 74 B12R2.2 c1cncc(C2=NCCC2)c1 T7671 [0,1,0,1,0,0|2,0,0]=4 75 B12R2.612 OB1OCc2cc(Cl)ccc21 T4040 [0,1,0,1,0,0|2,0,0]=4 76 B12R2.612 OB1OCc2cc(F)ccc21 T3349 [0,1,0,1,0,0|2,0,0]=4