0 B11R2.1 CC1=NNC2=NC=CC=C12 3H32-1-B3 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.1 NC1CCC2=CC=CC=C21 3630-5-X0 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.1 NC1CCC2=CC=CC=C21 3730-1-47 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 3730-5-Z1 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.1 O=C1CCC2=C1C=CC=C2 2717-1-01 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.1 OC1CCC2=CC=CC=C21 2701-1-05 [0,0,0,0,0,0|3,0,0]=3 6 B10R2.7 C1=CC=C2CNCC2=C1 3H31-5-3D [1,0,0,0,0,0|3,0,0]=4 7 B10R2.7 C1=CC=C2COCC2=C1 2H10-1-13 [1,0,0,0,0,0|3,0,0]=4 8 B10R2.7 C1=CC=C2NCCC2=C1 3H31-1-U9 [1,0,0,0,0,0|3,0,0]=4 9 B10R2.7 C1=CC=C2OCCC2=C1 2H10-1-Y1 [1,0,0,0,0,0|3,0,0]=4 10 B10R2.7 C1=CN=C2NCCC2=C1 3H32-1-B0 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.18 NC1C2=CC=CC=C2CC1O 4656-1-93 [0,1,0,0,0,0|3,0,0]=4 12 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@@H]1O 4656-1-4B [0,1,0,0,0,0|3,0,0]=4 13 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O 4756-1-S1 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.18 OC1C2=CC=CC=C2CC1Br 2702-9-X0 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.18 [C@H]1(O)CC2=CC=CC=C2[C@H]1N 4H56-1-3Y [0,1,0,0,0,0|3,0,0]=4 16 B12R2.132 NC1CCC2=C1C=C(F)C=C2 3633-7-03 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 3633-7-S3 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.2403 CC1(C)CNC2=CC=CC=C21 3H31-1-R3 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.15 CC(CN)C1=CC=CC=C1 3730-1-Z4 [0,0,1,0,0,0|3,0,0]=4 20 B10R1.15 NCC(O)C1=CC=CN=C1 4H56-5-Q3 [0,0,1,0,0,0|3,0,0]=4 21 B10R1.15 [C@H](C)(CN)C1=CC=CC=C1 3730-1-Y2 [0,0,1,0,0,0|3,0,0]=4 22 B10R1.17 BrCCCC1=CC=CC=C1 1700-9-Z5 [0,0,1,0,0,0|3,0,0]=4 23 B10R1.17 CCNCC1=CC=CC=C1 3731-1-04 [0,0,1,0,0,0|3,0,0]=4 24 B10R1.17 CCNCC1=CC=CC=N1 3H31-1-3M [0,0,1,0,0,0|2,0,0]=3 25 B10R1.17 CNCCC1=CC=CC=N1 3H31-1-Q6 [0,0,1,0,0,0|2,0,0]=3 26 B10R1.17 NCCCC1=CC=CC=C1 3H30-1-H6 [0,0,1,0,0,0|3,0,0]=4 27 B10R1.17 NCCNC1=CC=CC=N1 3H31-5-17 [0,0,1,0,0,0|3,0,0]=4 28 B10R1.17 OCCCC1=CC=CC=N1 4H56-1-LM [0,0,1,0,0,0|2,0,0]=3 29 B10R1.17 OCCNC1=CC=CC=N1 4H56-1-FB [0,0,1,0,0,0|3,0,0]=4 30 B10R1.17 OCCNC1=CC=CC=N1 4H56-5-20 [0,0,1,0,0,0|3,0,0]=4 31 B10R1.20 C#CC1=NC=CN=C1OC 4H56-1-T7 [0,0,1,0,0,0|1,0,2]=4 32 B10R1.20 COC1=CC=CN=C1OC 4H08-1-11 [0,0,1,0,0,0|3,0,0]=4 33 B10R1.20 COC1=NC=CC=C1CN 4H56-5-0K [0,0,1,0,0,0|3,0,0]=4 34 B10R1.61 CC(=O)C1=NC=CN=C1C 4H17-1-2B [0,0,1,0,0,0|1,0,1]=3 35 B10R1.61 CC(C)C1=C(O)C=CC=C1 2701-1-42 [0,0,1,0,0,0|3,0,0]=4 36 B10R1.61 CC(C)C1=CC=CC=C1I 2700-H-01 [0,0,1,0,0,0|3,0,0]=4 37 B10R1.61 CC(C)C1=CC=CC=C1N 3732-1-X0 [0,0,1,0,0,0|3,0,0]=4 38 B10R1.61 CC1=NC=CN=C1C(=O)O 4H21-1-M9 [0,0,1,0,0,0|2,0,1]=4 39 B10R2.320 BrC1CC2=CC=CC=C21 1600-9-0A [0,0,0,0,1,0|3,0,0]=4 40 B12R2.24 CC1=CC2=NC=CN=C2C=C1 3H32-1-2D [0,0,0,0,0,1|0,0,3]=4 41 B12R2.24 OC1CCC2=CC=CC=C2C1 2602-1-08 [0,0,0,0,0,1|3,0,0]=4 42 B12R2.1081 NC1CCOC2=CC=CC=C21 4H30-1-9B [0,0,0,0,0,1|3,0,0]=4 43 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 3730-1-S1 [0,0,0,0,0,1|3,0,0]=4 44 B12R2.1081 O=C1CCCC2=C1N=CC=C2 4H17-1-15 [0,0,0,0,0,1|2,0,1]=4 45 B12R2.1081 OC1CCCC2=C1N=CC=C2 4H01-1-CP [0,0,0,0,0,1|2,0,0]=3 46 B12R2.1081 OC1CCCC2=CC=CC=C21 2702-1-00 [0,0,0,0,0,1|3,0,0]=4 47 B12R2.1081 OC1CCOC2=CC=CC=C21 2H02-1-07 [0,0,0,0,0,1|3,0,0]=4 48 B9R1.6 CC(=O)C1=CN=CC=N1 4H56-1-K0 [1,0,1,0,0,0|1,0,1]=4 49 B9R1.6 CC(C)C1=CC=CC=N1 3H32-1-C8 [1,0,1,0,0,0|1,0,0]=3 50 B9R1.6 CC(N)C1=CC=CC=N1 3H30-1-P4 [1,0,1,0,0,0|2,0,0]=4 51 B9R1.6 CC(N)C1=CC=CN=C1 3H30-1-P5 [1,0,1,0,0,0|2,0,0]=4 52 B9R1.6 CC(O)C1=CC=CC=N1 4H02-1-X1 [1,0,1,0,0,0|2,0,0]=4 53 B9R1.6 CN(C)C1=CC=CN=C1 3H32-1-73 [1,0,1,0,0,0|2,0,0]=4 54 B9R1.8 CNCC1=CC=CC=N1 3H31-1-8T [1,0,1,0,0,0|2,0,0]=4 55 B9R1.8 CNCC1=CC=CN=C1 3H31-1-P0 [1,0,1,0,0,0|2,0,0]=4 56 B9R1.8 COCC1=CC=CC=N1 4H07-1-Y1 [1,0,1,0,0,0|2,0,0]=4 57 B9R1.8 ClCCC1=CC=CC=N1 3H32-5-CX [1,0,1,0,0,0|2,0,0]=4 58 B9R1.8 NCCC1=CC=CN=C1 3H30-1-QN [1,0,1,0,0,0|2,0,0]=4 59 B9R1.15 C#CC1=NC=CN=C1C 3H32-1-Y5 [1,0,1,0,0,0|0,0,2]=4 60 B9R1.15 CC1=NC=CN=C1NN 3H39-1-X1 [1,0,1,0,0,0|2,0,0]=4 61 B9R1.15 COC1=NC=CN=C1Cl 4H07-5-Z1 [1,0,1,0,0,0|2,0,0]=4 62 B9R1.15 NCC1=NC=CN=C1Cl 3H30-7-Y2 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.12 CCB(CC)C1=CC=CN=C1 7H60-1-03 [0,1,1,0,0,0|2,0,0]=4 64 B11R1.16 CCOC(=O)C1=NC=CN=C1 4H23-1-3E [0,1,1,0,0,0|1,0,1]=4 65 B11R1.16 CN(CCO)C1=CC=CC=N1 4H32-1-13 [0,1,1,0,0,0|2,0,0]=4 66 B11R1.22 CCC(C)C1=CC=C(O)C=C1 2715-1-1S [0,1,1,0,0,0|2,0,0]=4 67 B11R1.1 CCCCC1=CC=C(Br)C=C1 1700-9-W8 [0,1,1,0,0,0|2,0,0]=4 68 B11R1.17 OCCNC1=NC=CN=C1Cl 4H56-5-J0 [0,1,1,0,0,0|2,0,0]=4 69 B11R1.24 CC1=CC=CC(CCCO)=N1 4H56-1-893 [0,1,1,0,0,0|2,0,0]=4 70 B11R1.24 CCCNC1=CC=CC(Br)=N1 3H33-D-0A [0,1,1,0,0,0|2,0,0]=4 71 B11R1.24 CCCOC1=CN=CC(C)=N1 4H56-1-413 [0,1,1,0,0,0|1,0,0]=3 72 B11R1.28 BrCCCCC1=CC=CC=C1 1700-9-Z4 [0,1,1,0,0,0|2,0,0]=4 73 B11R1.28 CCCCNC1=CC=CC=C1 3631-1-X4 [0,1,1,0,0,0|2,0,0]=4 74 B11R1.28 OCCCCC1=CC=CC=C1 2701-1-00 [0,1,1,0,0,0|2,0,0]=4 75 B11R1.91 CC(N)CCC1=CC=CC=C1 3630-1-X9 [0,1,1,0,0,0|2,0,0]=4 76 B11R1.91 CC(O)CCC1=CC=CC=C1 2602-1-09 [0,1,1,0,0,0|2,0,0]=4 77 B11R1.91 CN(C)CCC1=CC=CC=N1 3H32-1-N6 [0,1,1,0,0,0|2,0,0]=4 78 B11R1.41 CCSC1=CC=CC=C1CC 5766-1-01 [0,1,1,0,0,0|2,0,0]=4 79 B11R1.53 COC1=NC=CN=C1C(C)C 4H07-1-2B [0,1,1,0,0,0|1,0,0]=3 80 B11R1.166 CC1=CC(N)=CC=C1C(C)C 3730-5-Y3 [0,1,1,0,0,0|2,0,0]=4 81 B11R2.10 NC1CC2=CC=CC=C2C1 3630-1-Y1 [1,1,0,0,0,0|2,0,0]=4 82 B11R2.10 NC1CC2=CC=CC=C2C1 3730-5-Y7 [1,1,0,0,0,0|2,0,0]=4 83 B11R2.10 OC1CC2=CC=CC=C2C1 2701-1-X7 [1,1,0,0,0,0|2,0,0]=4 84 B11R2.36 BrC1=CN=C2NCCC2=C1 3H31-9-60 [1,1,0,0,0,0|2,0,0]=4 85 B11R2.36 NC1=CC=C2CCCC2=C1 3730-1-53 [1,1,0,0,0,0|2,0,0]=4 86 B11R2.106 ClC1=CC=NC2=C1CCC2 3H32-5-BT [1,1,0,0,0,0|1,0,0]=3 87 B13R2.32 CC1CCC2=CC=CC=C2C1=O 2617-1-2L [0,1,0,0,0,1|2,0,0]=4 88 B13R2.57 OCC1CCC2=CC=CC=C2O1 2H10-1-X6 [0,1,0,0,0,1|2,0,0]=4 89 B13R2.3683 CC1CCC2=C(C=CC(F)=C2)N1 3H31-3-X7 [0,1,0,0,0,1|2,0,0]=4 90 B11R2.55 NC1=C(C2CC2)C=CC=N1 3H30-1-UQ [0,0,1,1,0,0|2,0,0]=4 91 B9R1.41 CC(C)C1=CNN=C1N 3H32-1-BK [0,0,1,0,1,0|2,0,0]=4 92 B9R1.41 CC(C)C1=NNC=C1Br 3H31-9-42 [0,0,1,0,1,0|2,0,0]=4