0 B14R2.22 CC1=CC(C2=NOC(N)=C2)=CC=C1 SY084730 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.22 NC1=CC(C2=CC=CC(Br)=C2)=NO1 SY012484 [0,0,0,0,0,0|2,1,1]=4 2 B14R2.22 NC1=CC(C2=CC=CC(Cl)=C2)=CS1 SY021594 [0,0,0,0,0,0|1,1,2]=4 3 B14R2.22 NC1=CC(C2=CC=CC(Cl)=C2)=NN1 SY012512 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.22 NC1=CC(C2=CC=CC(Cl)=C2)=NO1 SY012483 [0,0,0,0,0,0|2,0,1]=3 5 B14R2.22 NC1=CC(C2=CC=CC(F)=C2)=NO1 SY012488 [0,0,0,0,0,0|2,1,1]=4 6 B14R2.22 NC1=CC(C2=CC=CC(I)=C2)=NO1 SY280445 [0,0,0,0,0,0|2,1,1]=4 7 B14R2.22 NC1=NC(C2=CC(O)=CC=C2)=CS1 SY012616 [0,0,0,0,0,0|1,1,2]=4 8 B14R2.22 NC1=NC(C2=CC=CC(Br)=C2)=CS1 SY012603 [0,0,0,0,0,0|0,2,2]=4 9 B14R2.22 NC1=NC(C2=CC=CC(Cl)=C2)=CS1 SY026517 [0,0,0,0,0,0|0,1,2]=3 10 B14R2.22 OC1=CC(C2=CC=CC(Cl)=C2)=NO1 SY122694 [0,0,0,0,0,0|3,0,1]=4 11 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 SY014437 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 SY270923 [1,0,0,0,0,0|0,0,2]=3 13 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 SY005299 [1,0,0,0,0,0|0,1,2]=4 14 B13R2.10 NC1=NC(C2=CC=CC=C2)CC1 SY262882 [1,0,0,0,0,0|1,0,0]=2 15 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 SY007375 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 SY031841 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 SY037846 [1,0,0,0,0,0|1,0,1]=3 18 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 SY013456 [1,0,0,0,0,0|1,0,1]=3 19 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 SY020305 [1,0,0,0,0,0|1,0,1]=3 20 B13R2.13 ClC1=CC(C2=NC=CN2)=CC=C1 SY057710 [1,0,0,0,0,0|2,0,1]=4 21 B15R2.290 NC1=CC(C2=CC(Cl)=CC=C2Br)=NO1 SY280518 [0,1,0,0,0,0|2,0,1]=4 22 B15R2.290 NC1=NC(C2=C(Cl)C=CC(Cl)=C2)=CS1 SY012605 [0,1,0,0,0,0|0,1,2]=4 23 B15R2.299 CC1=CC=C(C2=NOC(N)=C2)C=C1Cl SY280458 [0,1,0,0,0,0|2,0,1]=4 24 B15R2.299 NC1=CC(C2=CC=C(Br)C(Cl)=C2)=NO1 SY280579 [0,1,0,0,0,0|2,0,1]=4 25 B15R2.299 NC1=CC(C2=CC=C(Cl)C(Cl)=C2)=NO1 SY012496 [0,1,0,0,0,0|2,0,1]=4 26 B15R2.299 NC1=NC(C2=CC(Cl)=C(Cl)C=C2)=CS1 SY012599 [0,1,0,0,0,0|0,1,2]=4 27 B15R2.334 O=C1NC(C2=CC=CC(Cl)=C2)C(=O)O1 SY225147 [0,1,0,0,0,0|1,0,2]=4 28 B15R2.41345 NC1=CC(C2=CC(Cl)=CC(Cl)=C2)=NO1 SY012489 [0,1,0,0,0,0|2,0,1]=4 29 B13R1.15 COC(=O)CCC1=CC=CC(Br)=C1 SY110360 [0,0,1,0,0,0|2,1,0]=4 30 B13R1.15 COC(=O)CCC1=CC=CC(O)=C1 SY046258 [0,0,1,0,0,0|3,0,0]=4 31 B13R1.147 CC(CC(=O)O)C1=CC=CC(O)=C1 SY030737 [0,0,1,0,0,0|3,0,0]=4 32 B13R1.147 NC(CC(=O)O)C1=CC(Cl)=CC=C1 SY007324 [0,0,1,0,0,0|3,0,0]=4 33 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)C1 SY174507 [0,0,0,0,1,0|2,1,0]=4 34 B15R2.28 O=C1CCC(C2=CC=CC(Cl)=C2)CN1 SY033478 [0,0,0,0,0,1|2,0,1]=4 35 B15R2.30 NC1=NC=CC(C2=CC=CC(Cl)=C2)=N1 SY286084 [0,0,0,0,0,1|1,0,2]=4 36 B12R1.27 COC(=O)CCC1=CC=CC=C1 SY017877 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SY017063 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.107 CC(CC(N)=O)C1=CC=CC=C1 SY249488 [1,0,1,0,0,0|1,0,1]=4 39 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 SY231348 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 SY226436 [1,0,1,0,0,0|2,0,0]=4 41 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 SY036722 [0,0,1,1,0,0|2,0,0]=4 42 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(Cl)=C2 SY252807 [0,0,1,1,0,0|2,0,0]=4 43 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(Cl)=C2 SY266224 [0,0,1,1,0,0|2,0,0]=4 44 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 SY266223 [0,0,1,1,0,0|2,0,0]=4 45 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 SY004524 [0,0,1,0,1,0|1,1,0]=4 46 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 SY053038 [0,0,1,0,1,0|1,0,0]=3 47 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 SY051263 [0,0,1,0,1,0|1,1,0]=4 48 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 SY005119 [0,0,1,0,1,0|2,0,0]=4 49 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 SY023952 [0,0,1,0,1,0|2,0,0]=4 50 B12R1.225 CC(C(=O)O)C1=CC=CC(Br)=C1 SY043041 [0,0,1,0,1,0|1,1,0]=4 51 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 SY014427 [0,0,1,0,1,0|2,0,0]=4 52 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 SY028540 [0,0,1,0,1,0|2,0,0]=4 53 B12R1.225 O=C(O)C(F)C1=CC=CC(Cl)=C1 SY263428 [0,0,1,0,1,0|2,0,0]=4 54 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 SY239962 [0,0,1,0,1,0|2,0,0]=4 55 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SY029843 [1,0,0,0,1,0|2,0,0]=4 56 B12R2.80 N[C@@H]1C[C@H]1C2=CC=CC(Cl)=C2 SY122639 [0,0,0,0,2,0|0,0,1]=3 57 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 SY010607 [1,0,0,0,0,1|1,0,1]=4 58 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 SY007401 [1,0,0,0,0,1|1,0,1]=4