0 B10R1.66 CC(=O)CSC1=CC=CS1 6H66-1-09 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.66 CC(=O)OC=C1C=CC=C1 2623-1-0Q [0,0,0,0,0,0|1,1,1]=3 2 B10R1.66 CC(=O)OCC1=CC=CO1 2H23-1-16 [0,0,0,0,0,0|0,1,0]=1 3 B10R1.66 CC(=O)\C=C\C1=CC=CO1 2H17-1-24 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.66 CC(=O)\C=C\C1=CC=CS1 6H17-1-24 [0,0,0,0,0,0|1,1,1]=3 5 B10R1.66 CC(=O)\C=C\C1=CSC=C1 6H66-1-65 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.66 NC(=O)NCC1=CC=CO1 4H53-1-20 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.66 NC(=O)\C=C\C1=CC=CS1 8H48-1-16 [0,0,0,0,0,0|2,1,1]=4 8 B10R1.66 O=C(O)CCC1=CC=CO1 2H21-1-X6 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.66 O=C(O)CCC1=CNC=N1 4H21-1-J6 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.66 O=C(O)CCC1=CSC=C1 6H21-1-0G [0,0,0,0,0,0|4,0,0]=4 11 B10R1.66 O=C(O)CCC1=NC=CS1 8H21-1-0H [0,0,0,0,0,0|3,1,0]=4 12 B10R1.66 O=C(O)CCN1C=CC=C1 4H21-1-HA [0,0,0,0,0,0|4,0,0]=4 13 B10R1.66 O=C(O)CCN1C=CC=N1 4H21-1-GX [0,0,0,0,0,0|4,0,0]=4 14 B10R1.66 O=C(O)\C=C\C1=CC=CN1 4H56-1-KN [0,0,0,0,0,0|3,0,1]=4 15 B10R1.66 S=C(S)NCC1=CC=CS1 7H67-1-44 [0,0,0,0,0,0|2,2,0]=4 16 B9R1.12 CCCCC1=CC=CS1 5H66-1-23 [1,0,0,0,0,0|1,1,1]=4 17 B9R1.12 CCNCC1=CC=CS1 7H31-1-0C [1,0,0,0,0,0|1,1,1]=4 18 B9R1.12 CCOCC1=CC=CO1 2H07-1-0D [1,0,0,0,0,0|0,1,1]=3 19 B9R1.12 CSSCC1=CC=CO1 6H66-1-1B [1,0,0,0,0,0|1,0,0]=2 20 B9R1.12 O=C\C=C\C1=CC=CO1 2H15-1-0U [1,0,0,0,0,0|1,0,1]=3 21 B11R1.25 COC(=O)\C=C\C1=CC=CS1 6H23-1-17 [0,1,0,0,0,0|1,1,1]=4 22 B11R1.25 NNC(=S)NCC1=CC=CO1 8H67-1-01 [0,1,0,0,0,0|2,1,0]=4 23 B11R1.25 O=C(CCl)NCC1=CC=CS1 8H48-5-77 [0,1,0,0,0,0|1,1,0]=3 24 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O 4H57-1-48 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O 8H57-1-12 [0,1,0,0,0,0|2,1,0]=4 26 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O 8H57-1-13 [0,1,0,0,0,0|2,1,0]=4 27 B11R1.75 O=C(O)\C=C\C1=CC=C(I)O1 2H21-H-17 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.77 CC(=O)OC(C)=C1C=CC=C1 2623-1-0R [0,1,0,0,0,0|1,1,1]=4 29 B11R1.77 NC(CC(=O)O)C1=CC=CO1 4H57-1-38 [0,1,0,0,0,0|2,0,0]=3 30 B11R2.36 CC1=CC=C2OC=CC2=C1 2H10-1-0Q [0,0,0,1,0,0|2,0,1]=4 31 B11R2.36 O=C1CCC2=C(C1)SC=N2 8H70-1-25 [0,0,0,1,0,0|3,0,0]=4 32 B11R2.36 O=C1CCC2=C(C=CN2)C1 4H48-1-CV [0,0,0,1,0,0|2,0,0]=3 33 B11R2.36 O=C1CCN2C=CC=C2C1 4H17-1-12 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.13 CC(=O)CC1=CC=CS1 6H17-1-43 [0,0,0,0,1,0|0,1,0]=2 35 B9R1.13 CC(N)CC1=CC=CS1 7H66-1-92 [0,0,0,0,1,0|1,1,1]=4 36 B9R1.13 CC(N)CC1=CC=CS1 7H66-5-92 [0,0,0,0,1,0|1,1,1]=4 37 B9R1.13 CC(O)CC1=CC=CO1 2H02-1-08 [0,0,0,0,1,0|0,0,2]=3 38 B9R1.13 CN(C)CC1=CC=CN1 3H31-1-9G [0,0,0,0,1,0|3,0,0]=4 39 B9R1.13 NC(=O)CC1=CC=CS1 8H48-1-0H [0,0,0,0,1,0|1,1,0]=3 40 B9R1.13 NC(=O)CC1=CSC=C1 8H48-1-0Z [0,0,0,0,1,0|3,0,0]=4 41 B9R1.13 O=C(O)CC1=CC=CN1 4H21-1-GY [0,0,0,0,1,0|2,0,0]=3 42 B9R1.13 O=C(O)CC1=CC=CO1 2H21-1-0S [0,0,0,0,1,0|1,0,0]=2 43 B9R1.13 O=C(O)CC1=CNC=C1 4H21-1-GG [0,0,0,0,1,0|3,0,0]=4 44 B9R1.13 O=C(O)CC1=COC=C1 2H21-1-40 [0,0,0,0,1,0|3,0,0]=4 45 B9R1.13 O=C(O)CC1=CSC=N1 8H21-1-0R [0,0,0,0,1,0|3,0,0]=4 46 B9R1.13 O=C(O)CC1=CSC=N1 8H70-5-55 [0,0,0,0,1,0|3,0,0]=4 47 B9R1.13 O=C(O)CC1=NC=CS1 8H21-1-0N [0,0,0,0,1,0|2,1,0]=4 48 B9R1.13 O=C(O)CC1=NNC=C1 4H21-1-0Z [0,0,0,0,1,0|3,0,0]=4 49 B9R1.13 O=C(O)CN1C=CC=C1 4H21-1-MW [0,0,0,0,1,0|3,0,0]=4 50 B11R1.91 C=C(C)OCC1=CC=CC=C1 2607-1-1T [0,0,0,0,0,1|2,1,0]=4 51 B11R1.91 CC(=N)NCC1=CC=CC=N1 3H41-H-02 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.91 CC(=N)NCC1=CC=CN=C1 3H41-H-01 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.91 CC(=O)C#CC1=CC=CC=C1 2617-1-1J [0,0,0,0,0,1|2,0,1]=4 54 B11R1.91 CC(=O)CSC1=CC=CC=C1 6666-1-X8 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.91 CC(=O)NCC1=CC=CC=C1 4648-1-4F [0,0,0,0,0,1|2,0,0]=3 56 B11R1.91 CC(=O)NCC1=CC=CN=C1 4H48-1-0X [0,0,0,0,0,1|2,0,0]=3 57 B11R1.91 CC(=O)NNC1=CC=CC=C1 4639-1-03 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.91 CC(=O)OCC1=CC=CC=C1 2623-1-4E [0,0,0,0,0,1|1,1,0]=3 59 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 2617-1-0Z [0,0,0,0,0,1|2,0,1]=4 60 B11R1.91 CC(=O)\C=C\C1=CC=C[NH+]=C1 4H33-5-15 [0,0,0,0,0,1|2,0,1]=4 61 B11R1.91 NC(=O)CCC1=CC=CC=C1 4648-1-2Y [0,0,0,0,0,1|3,0,0]=4 62 B11R1.91 NC(=O)NCC1=CC=CC=C1 4653-1-07 [0,0,0,0,0,1|3,0,0]=4 63 B11R1.91 NC(=O)NCC1=CC=CN=C1 4H53-1-21 [0,0,0,0,0,1|3,0,0]=4 64 B11R1.91 O=C(O)CCC1=CC=CC=N1 4H21-1-KE [0,0,0,0,0,1|3,0,0]=4 65 B11R1.172 O=C(O)CCCC1=CC=CS1 6H21-1-0F [0,0,0,0,0,1|2,1,0]=4 66 B8R1.8 CCCC1=CC=CO1 2H10-1-14 [2,0,0,0,0,0|0,0,1]=3 67 B8R1.8 CNCC1=CC=CS1 7H31-1-0F [2,0,0,0,0,0|1,1,0]=4 68 B8R1.8 CNCC1=CN=CO1 4H31-1-62 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.8 NCCC1=CC=CO1 4H30-1-9R [2,0,0,0,0,0|1,0,1]=4 70 B10R1.21 CCCCCC1=CC=CO1 2H10-1-16 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.21 NCCSCC1=CC=CO1 8H66-1-3N [1,1,0,0,0,0|0,0,1]=3 72 B10R1.23 NC(C(=O)O)C1=CC=CS1 8H57-1-0A [0,1,0,0,1,0|1,1,0]=4 73 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 8H57-1-R0 [0,1,0,0,1,0|1,1,0]=4 74 B10R1.54 CC(=O)CC1=NN=C(C)O1 4H56-1-0GD [0,1,0,0,1,0|2,0,0]=4 75 B10R1.54 CC(=O)CN1C=C(I)C=N1 4H17-H-00 [0,1,0,0,1,0|2,0,0]=4 76 B10R1.54 CC(=O)NC1=CC(C)=NO1 4H48-1-7J [0,1,0,0,1,0|2,0,0]=4 77 B10R1.54 CC(=O)NC1=CC(N)=NO1 4H48-1-0S [0,1,0,0,1,0|2,0,0]=4 78 B10R1.54 CC1=CC=C(CC(=O)O)S1 6H21-1-0R [0,1,0,0,1,0|1,1,0]=4 79 B10R1.54 O=C(O)CC1=CC(Br)=CS1 6H21-9-X0 [0,1,0,0,1,0|1,1,0]=4 80 B10R1.54 O=C(O)CC1=CC=C(Cl)S1 6H21-5-0B [0,1,0,0,1,0|1,1,0]=4 81 B10R1.64 CC(=O)OC1=C(N)C=CS1 8H58-1-00 [0,1,0,0,1,0|0,2,0]=4 82 B10R1.64 CN1C=CC=C1CC(=O)O 4H58-1-9K [0,1,0,0,1,0|2,0,0]=4 83 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 2717-3-29 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 4748-3-19 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 2723-1-17 [0,1,0,0,0,1|1,1,0]=4 86 B12R1.21 CC(=O)OCC1=CN=C(Cl)C=C1 4H23-5-4M [0,1,0,0,0,1|1,1,0]=4 87 B12R1.27 COC(=O)CCC1=CC=NC=C1 4H23-1-HZ [0,1,0,0,0,1|2,0,0]=4 88 B12R1.27 NCC(=O)OCC1=CC=CC=C1 4658-1-6S [0,1,0,0,0,1|1,1,0]=4 89 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 2617-9-0P [0,1,0,0,0,1|2,0,0]=4 90 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 2623-9-X0 [0,1,0,0,0,1|1,1,0]=4 91 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 2623-5-0V [0,1,0,0,0,1|1,1,0]=4 92 B12R1.27 O=C(CO)OCC1=CC=CC=C1 2629-1-2N [0,1,0,0,0,1|1,1,0]=4 93 B12R1.43 CC(=O)N(C)CC1=CC=CN=C1 4H48-1-94 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 4648-1-4Y [0,1,0,0,0,1|2,0,0]=4 95 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 2623-1-2B [0,1,0,0,0,1|1,1,0]=4 96 B12R1.226 CC(=O)CCC1=CC=CC(Br)=C1 2617-9-0B [0,1,0,0,0,1|2,0,0]=4 97 B12R1.891 CS(=O)(=O)SCC1=CC=CC=C1 6764-1-06 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 2H29-1-0G [0,2,0,0,0,0|1,0,1]=4 99 B12R1.15 COC(=O)CC(N)C1=CC=CS1 8H66-1-8L [0,2,0,0,0,0|1,1,0]=4 100 B12R1.120 NC(C(=O)O)C(O)C1=CC=CO1 4H57-1-45 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.59 CC(=O)OCC1=CC=C(C=O)O1 2H23-1-14 [0,2,0,0,0,0|0,1,0]=3 102 B10R1.18 CC(=O)SC1=CC=CC=C1 6666-1-0N [0,0,1,1,0,0|1,0,1]=4 103 B10R1.61 CC(=O)C1=NC=CC=C1O 4H17-1-8H [0,0,1,1,0,0|2,0,0]=4 104 B10R2.71 O=C1CC2C=CC(C1)O2 4H17-1-2Z [0,0,0,1,1,0|0,0,2]=4 105 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 4H48-1-GG [0,0,0,1,0,1|2,0,0]=4 106 B12R2.24 O=C1CC2=CC=CC=C2CN1 4H48-1-5E [0,0,0,1,0,1|2,0,0]=4 107 B12R2.24 O=C1CC2=CC=CC=C2CO1 2625-1-04 [0,0,0,1,0,1|1,1,0]=4 108 B8R1.7 CC(=O)C1=COC=C1 2H17-1-31 [0,0,0,0,2,0|2,0,0]=4 109 B8R1.7 CC(=O)C1=CSC=N1 8H17-1-0K [0,0,0,0,2,0|2,0,0]=4 110 B8R1.7 CC(=O)C1=NC=CS1 8H70-1-U9 [0,0,0,0,2,0|1,1,0]=4 111 B8R1.7 CC(=O)C1=NNC=C1 4H17-1-A9 [0,0,0,0,2,0|2,0,0]=4 112 B8R1.7 CC(=O)N1C=CC=N1 4H17-1-A6 [0,0,0,0,2,0|2,0,0]=4 113 B8R1.7 CC(O)C1=CC=CO1 2H02-1-01 [0,0,0,0,2,0|0,0,2]=4 114 B8R1.7 NC(=O)C1=CC=CO1 4H48-1-0T [0,0,0,0,2,0|1,0,0]=3 115 B8R1.7 NC(=S)C1=CC=CO1 8H67-1-21 [0,0,0,0,2,0|1,1,0]=4 116 B8R1.7 O=C([O-])C1=CC=CS1 6H22-1-05 [0,0,0,0,2,0|1,1,0]=4 117 B10R1.17 O=CCCC1=CC=CC=C1 2615-1-0W [1,0,0,0,0,1|2,0,0]=4 118 B10R1.17 O=CCCC1=CC=CN=C1 4H15-1-1S [1,0,0,0,0,1|2,0,0]=4 119 B10R1.17 O=COCC1=CC=CC=C1 2615-1-0P [1,0,0,0,0,1|1,1,0]=4 120 B12R1.252 CC(=O)NCCC1=CC=CC=C1 4748-1-31 [0,0,0,0,0,2|2,0,0]=4