0 B10R1.20 COC1=C(CCl)C=CN=N1 F30442 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.20 COC1=NC=NC=C1CO F30437 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.20 COC1=NN=CC=C1CO F30441 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.20 O=CC1=C(CBr)C=CC=C1 AB10132 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 CC1=C(CBr)C=CN=C1 D80203 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [1,0,0,0,0,0|2,1,0]=4 6 B9R1.15 N#CC1=C(O)C=CN=C1 62397 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.37 COC1=C(CO)C=CC(N)=C1 D77124 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.37 COC1=NC=C(Cl)C=C1CN 79399 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.41 N#CC1=C(CCN)C=CC=C1 59512 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=C1 Y12202 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=C1 Y14118 [0,1,0,0,0,0|3,0,0]=4 13 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [0,0,0,1,0,0|2,0,0]=3 14 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [0,0,0,1,0,0|2,0,0]=3 15 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [0,0,0,1,0,0|2,0,0]=3 16 B11R2.1 N[C@H]1COC2=NC=CC=C21 C16545 [0,0,0,1,0,0|3,0,0]=4 17 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.14 COC1=C(C=O)C=CS1 P15996 [0,0,0,0,1,0|3,0,0]=4 19 B10R1.2 CNC1=C(N)C(C)=CC=C1 C76359 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 C71753 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.2 COC1=C(Br)C(F)=CC=N1 P12279 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.2 COC1=C(F)C(F)=NC=C1 D79419 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.2 COC1=CN=CC(Br)=C1N D84818 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.2 NCC1=CC=CC(O)=C1O D96331 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.25 COC1=CN=C(Cl)C=C1Cl AC3276 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.30 COC1=CC(Cl)=NC=C1F 78990 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.30 COC1=CC(F)=CN=C1Br D76819 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.30 COC1=CC(F)=CN=C1Cl D76820 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.30 COC1=CC(F)=CN=C1N D70750 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.245 CC1=CC=CC(Br)=C1C=O W19253 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.245 CC1=CC=CC(Cl)=C1CN Y11683 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.245 COC1=C(F)C=CN=C1N D82404 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.245 COC1=C(N)C=CN=C1C AC4530 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.245 N#CC1=C(O)C=CC=C1N AT15778 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.245 N#CC1=C(O)C=CC=C1O Y14713 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.46 COC1=NC=C(Br)C=C1C(C)=O O10301 [0,2,0,0,0,0|2,0,0]=4 39 B12R1.46 COC1=NC=C(F)C=C1[C@H](C)N Y12431 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.77 CCC1=C(C(=O)OC)C=CC=N1 D83965 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.77 CSC1=C([C@@H](N)CO)C=CC=C1 D96367 [0,2,0,0,0,0|1,1,0]=4 42 B12R1.437 COC1=CC=CC(Cl)=C1[C@H](C)N Y12884 [0,2,0,0,0,0|1,0,0]=3 43 B12R2.24 C[C@H]1CNC2=C(C=CC=N2)O1 D96433 [0,1,0,1,0,0|2,0,0]=4 44 B12R2.24 ClC1=NC2=C(C=C1)CCCO2 AT13335 [0,1,0,1,0,0|2,0,0]=4 45 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y13240 [0,1,0,1,0,0|2,0,0]=4 46 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y13296 [0,1,0,1,0,0|2,0,0]=4 47 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 Y10762 [0,1,0,1,0,0|2,0,0]=4 48 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 Y14815 [0,1,0,1,0,0|2,0,0]=4 49 B12R2.132 O=C1COC2=C1C=C(F)C=C2 Y13790 [0,1,0,1,0,0|2,0,0]=4 50 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Y14103 [0,1,0,1,0,0|2,0,0]=4 51 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 Y11203 [0,1,0,1,0,0|2,0,0]=4 52 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 N11241 [0,1,0,1,0,0|2,0,0]=4 53 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 N11265 [0,1,0,1,0,0|2,0,0]=4 54 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 Y13417 [0,1,0,1,0,0|2,0,0]=4 55 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 Y14817 [0,1,0,1,0,0|2,0,0]=4 56 B12R2.315 COC1=C2NCCC2=CC=C1 Y14696 [0,1,0,1,0,0|1,0,0]=3 57 B12R2.315 COC1=C2OC=CC2=CC=N1 P10785 [0,1,0,1,0,0|1,0,1]=4 58 B12R2.1081 BrC1=C2NCCCC2=CC=C1 Y13909 [0,1,0,1,0,0|2,0,0]=4 59 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W19334 [0,1,0,1,0,0|2,0,0]=4 60 B12R2.1081 FC1=C2CCCCC2=CC=C1 Y14505 [0,1,0,1,0,0|2,0,0]=4 61 B12R2.1081 NC1=CC=CC2=C1C=CCO2 C73284 [0,1,0,1,0,0|1,0,1]=4 62 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 20130 [0,1,0,1,0,0|2,0,0]=4 63 B12R2.1081 O=C1CCOC2=C1C=NC=C2 F53452 [0,1,0,1,0,0|2,0,0]=4 64 B12R2.1081 O[C@H]1CCOC2=NC=CC=C21 AT21149 [0,1,0,1,0,0|2,0,0]=4 65 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 N11238 [0,1,0,1,0,0|2,0,0]=4 66 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N11251 [0,1,0,1,0,0|2,0,0]=4 67 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 N11266 [0,1,0,1,0,0|2,0,0]=4 68 B12R2.203 N[C@H]1COC2=CC=CC(Br)=C21 N16517 [0,1,0,1,0,0|2,0,0]=4 69 B12R2.203 N[C@H]1COC2=CC=CC(Br)=C21 Y14814 [0,1,0,1,0,0|2,0,0]=4 70 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 N11260 [0,1,0,1,0,0|2,0,0]=4 71 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 Y13416 [0,1,0,1,0,0|2,0,0]=4 72 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 59813 [0,1,0,1,0,0|2,0,0]=4 73 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 N11267 [0,1,0,1,0,0|2,0,0]=4 74 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 N11268 [0,1,0,1,0,0|2,0,0]=4