0 B9R1.11 COC(=O)C1=COC=N1 4H23-1-CN [0,0,0,0,0,0|2,0,0]=2 1 B9R1.11 COC(=O)C1=NOC=C1 4H23-1-J4 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.11 COC(=O)[C@@H]1CCCO1 2H23-1-S2 [0,0,0,0,0,0|0,0,4]=4 3 B9R1.11 NCC(O)C1=CC=CO1 4H30-1-T0 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.7 CC(=O)C1=CNN=C1 4H17-1-3L [1,0,0,0,0,0|3,0,0]=4 5 B8R1.7 CC(=O)C1=NC=CN1 4H17-1-3M [1,0,0,0,0,0|2,0,0]=3 6 B8R1.7 CC(N)C1=CC=CO1 4H56-1-1T [1,0,0,0,0,0|1,0,1]=3 7 B8R1.7 CC(N)C1=CN=CO1 4H30-1-39 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.7 NC(=O)C1=CC=NO1 4H48-1-H4 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.11 CO\N=C(/C)C1=CC=CS1 8H47-1-E0 [0,1,0,0,0,0|1,1,0]=3 10 B10R1.14 COC(=O)C1=CC(O)=CS1 6H23-1-0V [0,1,0,0,0,0|0,1,0]=2 11 B10R1.14 COC(=O)C1=CC=C(Cl)O1 2H23-5-0B [0,1,0,0,0,0|0,0,0]=1 12 B10R1.14 COC(=O)C1=CN(C)C=C1 4H23-1-GT [0,1,0,0,0,0|2,0,0]=3 13 B10R1.14 COC(=O)C1=CN=C(Br)O1 4H58-9-5S [0,1,0,0,0,0|1,0,0]=2 14 B10R1.14 COC(=O)C1=CNC(C)=C1 4H23-1-KY [0,1,0,0,0,0|2,0,0]=3 15 B10R1.14 COC(=O)C1=NC=C(C)S1 8H23-1-0R [0,1,0,0,0,0|1,1,0]=3 16 B10R1.14 COC(=O)C1=NNC(I)=C1 4H58-H-13 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.149 COC(=O)C1=C(C)C=CN1 4H23-1-G5 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.149 COC(=O)C1=COC=C1Br 2H23-9-0H [0,1,0,0,0,0|2,0,0]=3 19 B10R1.149 COC(=O)C1=CON=C1C 4H23-1-LE [0,1,0,0,0,0|3,0,0]=4 20 B10R1.149 O=C(CBr)C1=C(Cl)C=CS1 6H66-D-06 [0,1,0,0,0,0|2,1,0]=4 21 B8R0.3 C=CC[C@H](N)C(=O)OC 4358-1-S0 [0,0,1,0,0,0|1,0,2]=4 22 B10R2.16 NC1(C2=CC=CO2)CC1 4H30-1-8U [0,0,0,1,0,0|2,0,1]=4 23 B10R2.32 O=C1CCN2C=NC=C12 4H17-1-3E [0,0,0,1,0,0|3,0,0]=4 24 B10R1.15 C=CC(=O)C1=CC=CC=C1 2617-1-0U [0,0,0,0,0,1|2,0,1]=4 25 B10R1.15 COC(=O)C1=CCOCC1 2H23-1-62 [0,0,0,0,0,1|1,0,2]=4 26 B10R1.15 COC(=O)C1=CNCCC1 4H58-1-488 [0,0,0,0,0,1|1,0,2]=4 27 B10R1.15 O=C(CCl)C1=CC=NC=C1 4H33-5-0L [0,0,0,0,0,1|3,0,0]=4 28 B10R1.27 COC(=O)CC1=CNC=N1 4H23-5-5A [0,0,0,0,0,1|2,0,0]=3 29 B7R0.4 C\C=C\C=C\C(C)=O 2317-1-0E [1,0,1,0,0,0|1,0,0]=3 30 B9R1.35 CC(=O)C1=CC(C)=NS1 8H15-1-0F [1,1,0,0,0,0|1,1,0]=4 31 B9R1.35 CC(=O)C1=CC=C(Br)O1 2H17-9-30 [1,1,0,0,0,0|0,0,0]=2 32 B9R1.35 CC(=O)C1=NC=C(Br)S1 8H70-9-16 [1,1,0,0,0,0|1,1,0]=4 33 B9R1.35 CC(=O)N1C=CC(N)=C1 4H48-1-WC [1,1,0,0,0,0|2,0,0]=4 34 B9R1.35 NC1=NC(C(=O)O)=CN1 4H57-1-0E [1,1,0,0,0,0|2,0,0]=4 35 B9R1.35 O=C(O)C1=CC(I)=CN1 4H21-H-0D [1,1,0,0,0,0|1,0,0]=3 36 B9R1.41 CC(O)C1=C(Br)C=CO1 2H02-9-00 [1,1,0,0,0,0|0,0,2]=4 37 B9R1.41 CC1=C(C(=O)O)SN=C1 8H70-1-88 [1,1,0,0,0,0|1,1,0]=4 38 B9R1.41 CC1=CNC=C1C(=O)O 4H21-1-63 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.41 O=C(O)C1=C(Br)C=CO1 2H21-9-0K [1,1,0,0,0,0|0,0,0]=2 40 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 4648-5-0U [0,1,0,0,0,1|2,0,0]=4 41 B11R1.22 COC(=O)C1=NC=C(N)C=N1 4H58-1-VS [0,1,0,0,0,1|1,0,0]=3 42 B11R1.23 CNC(=O)C1=CC(Cl)=CC=C1 4648-5-2X [0,1,0,0,0,1|2,0,0]=4 43 B11R1.23 COC(=O)C1=CC=NC(C)=C1 4H23-1-DB [0,1,0,0,0,1|1,0,0]=3 44 B11R1.23 COC(=O)C1=CC=NC(C)=N1 4H23-1-D2 [0,1,0,0,0,1|1,0,0]=3 45 B11R1.23 COC(=O)C1=CN=CC(C)=N1 4H58-1-ZY [0,1,0,0,0,1|1,0,0]=3 46 B11R1.222 CCC(=O)C1=CC=CC=C1Cl 2617-5-31 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.222 COC(=O)C1=NC=CC=C1I 4H23-H-02 [0,1,0,0,0,1|1,0,0]=3 48 B11R1.222 COC(=O)C1=NC=NC=C1Br 4H58-9-2Z [0,1,0,0,0,1|1,0,0]=3 49 B11R1.31 COC(=O)C(=O)C1=CC=CN1 4H29-1-4Y [0,1,0,0,0,1|1,0,0]=3 50 B11R1.31 CON(C)C(=O)C1=CC=CO1 4H48-1-07A [0,1,0,0,0,1|2,0,0]=4 51 B11R1.39 COC(=O)CN1C=C(N)C=N1 4H58-5-91 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.15 CCOC(=O)C1=CC(C)=NO1 4H58-1-XY [0,2,0,0,0,0|1,0,0]=3 53 B11R1.15 CCOC(=O)C1=CC=C(O)S1 6H23-1-0S [0,2,0,0,0,0|0,1,0]=3 54 B11R1.15 CCOC(=O)C1=COC(C)=N1 4H23-1-7C [0,2,0,0,0,0|2,0,0]=4 55 B11R1.15 CCOC(=O)C1=CSC(F)=N1 8H70-3-16 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.15 CNNC(=O)C1=CC(Br)=CN1 4H56-9-AA [0,2,0,0,0,0|2,0,0]=4 57 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 2H18-1-09 [0,2,0,0,0,0|1,0,0]=3 58 B11R1.199 CCOC(=O)C1=C(Br)NC=N1 4H58-9-3J [0,2,0,0,0,0|2,0,0]=4 59 B11R1.199 CCOC(=O)C1=C(F)C=CN1 4H58-3-0Z [0,2,0,0,0,0|1,0,0]=3 60 B11R1.199 CCOC(=O)N1C=CC=C1Br 4H56-9-8B [0,2,0,0,0,0|2,0,0]=4 61 B11R1.44 CCC1=CC=C(C(=O)OC)S1 6H23-1-0P [0,2,0,0,0,0|0,1,0]=3 62 B11R1.44 COC(=O)C1=CSC(C=O)=N1 8H70-1-1J [0,2,0,0,0,0|2,0,0]=4 63 B11R1.225 COC(=O)C1=C(C)NC(=O)C1 4H23-1-9X [0,2,0,0,0,0|2,0,0]=4 64 B11R1.225 COC(=O)C1=C(C)OC(C)=N1 4H23-1-JP [0,2,0,0,0,0|2,0,0]=4 65 B11R1.225 COC(=O)C1=C(C)SC(C)=C1 6H23-1-0R [0,2,0,0,0,0|2,0,0]=4 66 B11R1.59 COC(=O)C1=C(CBr)C=CO1 2H23-9-0G [0,2,0,0,0,0|0,0,0]=2 67 B9R1.2 COC1=CC=CC(O)=N1 4H07-1-4R [0,0,1,1,0,0|1,0,0]=3 68 B11R2.1 O=C1CCC2=NC=CC=C12 4H17-1-3K [0,0,0,1,0,1|2,0,0]=4 69 B11R2.1 O=C1NCC2=CC=NC=C12 4H48-1-AW [0,0,0,1,0,1|2,0,0]=4 70 B11R2.1 O=C1NCC2=NC=CC=C12 4H48-1-11 [0,0,0,1,0,1|2,0,0]=4 71 B11R2.202 O=C1OC(=O)C2=C1C=CS2 6H66-1-1A [0,1,0,1,0,0|0,1,1]=4 72 B9R1.6 CC(=O)C1=CC=CN=N1 4H56-1-030 [1,0,0,0,0,1|1,0,0]=3 73 B9R1.6 O=C(Cl)C1=CC=NC=N1 4H16-4-01 [1,0,0,0,0,1|2,0,0]=4 74 B11R1.40 CNC(=O)OC1=CC=CC=C1 4656-1-7R [0,0,0,0,0,2|2,0,0]=4 75 B11R1.40 COC(=O)CC1=CC=NN=C1 4H58-1-AW [0,0,0,0,0,2|2,0,0]=4 76 B11R1.25 COC(=O)CCC1=CC=CN1 4H23-1-8N [0,0,0,0,0,2|1,0,0]=3 77 B11R1.25 COC(=O)CCN1C=CC=C1 4H23-1-JH [0,0,0,0,0,2|2,0,0]=4 78 B11R1.25 COC(=O)\C=C\C1=CC=CN1 4H23-1-8P [0,0,0,0,0,2|1,0,0]=3