0 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 12167 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 102491 [0,0,0,0,0,0|1,0,1]=2 2 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 100971 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.42 C\C=C\C(=O)NNC1=CC=CC=C1 12166 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.8 CCCC\C=C/C1=CC=CC=C1 100548 [1,0,0,0,0,0|1,0,1]=3 5 B12R1.8 CCC\C=C/CC1=CC=CC=C1 100559 [1,0,0,0,0,0|1,0,1]=3 6 B12R1.27 CCC(O)\C=C\C1=CC=CC=C1 100526 [1,0,0,0,0,0|0,0,2]=3 7 B12R1.27 COC(=O)CCC1=CC=CC=C1 19761 [1,0,0,0,0,0|0,0,2]=3 8 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 103161 [1,0,0,0,0,0|0,0,0]=1 9 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 19785 [1,0,0,0,0,0|1,0,0]=2 10 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 17058 [0,1,0,0,0,0|2,0,1]=4 11 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1N 10687 [0,1,0,0,0,0|0,0,0]=1 12 B14R2.15 CCC1C(=O)NC1C2=CC=CC=C2 18222 [0,0,0,1,0,0|2,0,1]=4 13 B14R2.203 NCC1=C(O)C=CC2=CC=CC=C21 15403 [0,0,0,1,0,0|2,0,1]=4 14 B12R1.32 CCC\C(I)=C/C1=CC=CC=C1 100551 [0,0,0,0,1,0|2,0,0]=3 15 B11R1.28 CCC\C=C\C1=CC=CC=C1 100517 [2,0,0,0,0,0|0,0,1]=3 16 B11R1.28 C\C=C\C=C/C1=CC=CC=C1 100530 [2,0,0,0,0,0|0,0,1]=3 17 B11R1.91 C=C(C)\C=C/C1=CC=CC=C1 100560 [2,0,0,0,0,0|1,0,0]=3 18 B11R1.91 C=C(C)\C=C\C1=CC=CC=C1 100556 [2,0,0,0,0,0|1,0,0]=3 19 B11R1.91 CC(C)\C=C/C1=CC=CC=C1 100514 [2,0,0,0,0,0|1,0,1]=4 20 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [2,0,0,0,0,0|0,0,2]=4 21 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 12253 [2,0,0,0,0,0|0,0,0]=2 22 B13R1.11 COC(=O)CC(C)C1=CC=CC=C1 12294 [1,1,0,0,0,0|0,0,2]=4 23 B13R1.11 COC(=O)CC(C)C1=CC=CC=C1 12295 [1,1,0,0,0,0|0,0,2]=4 24 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 19830 [1,1,0,0,0,0|0,0,2]=4 25 B13R1.14 CCC(=O)CCC1=CC=C(O)C=C1 102151 [1,1,0,0,0,0|0,0,2]=4 26 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 20344 [1,1,0,0,0,0|0,0,0]=2 27 B13R1.15 COC(=O)\C=C\C1=CC=CC(Cl)=C1 20343 [1,1,0,0,0,0|0,0,0]=2 28 B13R1.417 COC(=CCC1=CC=CC=C1)OC 100955 [1,1,0,0,0,0|0,0,2]=4 29 B13R1.47 CCOC(=O)C(=O)C1=CC=CN=C1 101982 [0,1,0,0,1,0|1,0,0]=3 30 B13R1.79 CCO\C(C=O)=C/C1=CC=CC=C1 100958 [0,1,0,0,1,0|0,0,0]=2 31 B15R1.826 CCOC(=O)C(=O)NCC1=NC=CC=C1 21346 [0,1,0,0,0,1|1,0,1]=4 32 B15R1.640 CCOC(=O)\C(C#N)=C\C1=CC=CC=C1 13416 [0,2,0,0,0,0|0,0,0]=2 33 B15R1.5919 CN(C)\C=C\C(=O)\C=C\C1=CC=CC=C1 13205 [0,2,0,0,0,0|1,0,1]=4 34 B15R1.791 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1Cl 20346 [0,2,0,0,0,0|0,0,0]=2 35 B15R1.870 CC(C)OC(=O)\C=C\C1=CC=C(Cl)C=C1 20341 [0,2,0,0,0,0|0,0,0]=2 36 B15R1.130 CC(C)OC(=O)\C=C\C1=CC=CC=C1O 20337 [0,2,0,0,0,0|0,0,0]=2 37 B15R1.3465 CC(C)(C)OC(=O)NCC1=CC=CC=C1 102222 [0,2,0,0,0,0|1,0,1]=4 38 B15R1.3983 CCOC(=CCC1=CC=CC=C1)OCC 100940 [0,2,0,0,0,0|0,0,2]=4 39 B13R2.10 O=C1CN=C(C2=CC=CC=C2)N1 11307 [1,0,0,1,0,0|2,0,0]=4 40 B13R2.10 O=C1CSC(C2=CC=CC=C2)=N1 10154 [1,0,0,1,0,0|2,0,0]=4 41 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 12227 [1,0,0,1,0,0|2,0,0]=4 42 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 12229 [1,0,0,1,0,0|2,0,0]=4 43 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 21206 [1,0,0,1,0,0|0,0,2]=4 44 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 21213 [1,0,0,1,0,0|0,0,2]=4 45 B13R2.33 O=C1CCC2=CC=CC=C2CC1 21559 [1,0,0,1,0,0|0,0,2]=4 46 B13R2.57 OCC1=CC2=C(C=CC=C2)C=C1 20619 [1,0,0,1,0,0|2,0,0]=4 47 B15R2.31 O=C1C=C(NC2=CC=CC=C2)CCC1 13493 [0,0,0,1,0,1|1,0,0]=3 48 B15R2.1259 O=C(C=C1SCCS1)C2=CC=CC=C2 9895 [0,1,0,1,0,0|0,2,0]=4 49 B15R2.38 O=C1C=CCC\C1=C/C2=CC=CC=C2 13207 [0,1,0,1,0,0|1,0,0]=3 50 B15R2.1846 CCC1=CC2=CC=CC=C2C=CC1=O 15119 [0,1,0,1,0,0|1,0,0]=3 51 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [1,0,0,0,1,0|1,0,0]=3 52 B11R1.40 CC\C(I)=C/C1=CC=CC=C1 102669 [1,0,0,0,1,0|1,0,0]=3 53 B11R1.40 COC(=S)NC1=CC=CC=C1 10045 [1,0,0,0,1,0|1,1,0]=4