0 B14R2.20 CC1=CC=C(C2=NOC(N)=C2)C=C1 SY012492 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.20 CC1=NC(C2=CC=C(Br)C=C2)=NO1 SY025145 [0,0,0,0,0,0|2,1,1]=4 2 B14R2.20 NC1=CC(C2=CC=C(Br)C=C2)=NO1 SY012482 [0,0,0,0,0,0|2,1,1]=4 3 B14R2.20 NC1=CC(C2=CC=C(Cl)C=C2)=NN1 SY011848 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.20 NC1=CC(C2=CC=C(Cl)C=C2)=NN1 SY268380 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.20 NC1=CC(C2=CC=C(F)C=C2)=NO1 SY012481 [0,0,0,0,0,0|2,1,1]=4 6 B14R2.20 NC1=CC(C2=CC=C(I)C=C2)=NO1 SY184898 [0,0,0,0,0,0|2,1,1]=4 7 B14R2.20 NC1=CC(C2=NC=C(Cl)C=C2)=NO1 SY280546 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=CS1 SY033873 [0,0,0,0,0,0|0,1,2]=3 9 B14R2.20 NC1=NC(C2=CC=C(F)C=C2)=CS1 SY012596 [0,0,0,0,0,0|0,2,2]=4 10 B14R2.20 NC1=NC(C2=CC=C(I)C=C2)=CS1 SY012621 [0,0,0,0,0,0|0,2,2]=4 11 B14R2.20 NC1=NC(C2=CC=C(O)C=C2)=CS1 SY012597 [0,0,0,0,0,0|1,1,2]=4 12 B14R2.20 O=C1CCC(C2=CC=C(Br)C=C2)N1 SY111565 [0,0,0,0,0,0|2,1,1]=4 13 B14R2.20 OC1=CC(C2=CC=C(Cl)C=C2)=NO1 SY122695 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 SY014437 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 SY270923 [1,0,0,0,0,0|0,0,2]=3 16 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 SY005299 [1,0,0,0,0,0|0,1,2]=4 17 B13R2.10 NC1=NC(C2=CC=CC=C2)CC1 SY262882 [1,0,0,0,0,0|1,0,0]=2 18 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 SY007375 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 SY031841 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 SY037846 [1,0,0,0,0,0|1,0,1]=3 21 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 SY013456 [1,0,0,0,0,0|1,0,1]=3 22 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 SY020305 [1,0,0,0,0,0|1,0,1]=3 23 B13R2.12 BrC1=CC=C(C2=NOC=N2)C=C1 SY024851 [1,0,0,0,0,0|1,1,1]=4 24 B13R2.12 ClC1=CC=C(C2=NC=CN2)C=C1 SY057676 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.12 ClC1=CC=C(N2C=CC=N2)C=C1 SY233680 [1,0,0,0,0,0|2,0,1]=4 26 B15R2.299 NC1=CC(C2=CC=C(Cl)C(Cl)=C2)=NO1 SY012496 [0,1,0,0,0,0|2,0,1]=4 27 B15R2.299 NC1=NC(C2=CC(Cl)=C(Cl)C=C2)=CS1 SY012599 [0,1,0,0,0,0|0,1,2]=4 28 B15R2.309 O=C1NC(C2=CC=C(Cl)C=C2)C(=O)O1 SY225161 [0,1,0,0,0,0|1,0,2]=4 29 B15R2.309 O=C1N[C@@H](C2=CC=C(Cl)C=C2)C(=O)O1 SY225296 [0,1,0,0,0,0|1,0,2]=4 30 B15R2.1153 NC1=CC(C2=CC=C(Cl)C=C2Br)=NO1 SY280537 [0,1,0,0,0,0|2,0,1]=4 31 B15R2.1153 NC1=CC(C2=CC=C(Cl)C=C2F)=NO1 SY280551 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 SY013642 [0,0,1,0,0,0|2,1,0]=4 33 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 SY028002 [0,0,1,0,0,0|2,1,0]=4 34 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 SY003634 [0,0,1,0,0,0|3,0,0]=4 35 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 SY007325 [0,0,1,0,0,0|3,0,0]=4 36 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 SY033465 [0,0,1,0,0,0|3,0,0]=4 37 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 SY109623 [0,0,1,0,0,0|3,0,0]=4 38 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 SY033190 [0,0,1,0,0,0|3,0,0]=4 39 B13R2.147 NC1CC(C2=CC=C(Br)C=C2)C1 SY017013 [0,0,0,0,1,0|1,1,1]=4 40 B13R2.147 N[C@H]1C[C@H](C2=CC=C(Br)C=C2)C1 SY162987 [0,0,0,0,1,0|1,1,1]=4 41 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 SY017720 [0,0,0,0,1,0|2,1,0]=4 42 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 SY014471 [0,0,0,0,0,1|2,0,1]=4 43 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 SY003370 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.27 COC(=O)CCC1=CC=CC=C1 SY017877 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.107 CC(CC(N)=O)C1=CC=CC=C1 SY249488 [1,0,1,0,0,0|1,0,1]=4 46 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 SY231348 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 SY226436 [1,0,1,0,0,0|2,0,0]=4 48 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 SY036707 [0,0,1,1,0,0|2,0,0]=4 49 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(Cl)C=C2 SY205590 [0,0,1,1,0,0|2,0,0]=4 50 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(Cl)C=C2 SY266088 [0,0,1,1,0,0|2,0,0]=4 51 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 SY266087 [0,0,1,1,0,0|2,0,0]=4 52 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 SY021204 [0,0,1,0,1,0|1,1,0]=4 53 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 SY052935 [0,0,1,0,1,0|2,0,0]=4 54 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 SY051360 [0,0,1,0,1,0|1,0,0]=3 55 B12R1.49 COC(=O)CC1=CC=C(Cl)N=C1 SY030613 [0,0,1,0,1,0|2,0,0]=4 56 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 SY041951 [0,0,1,0,1,0|1,1,0]=4 57 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 SY041745 [0,0,1,0,1,0|1,1,0]=4 58 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 SY100571 [0,0,1,0,1,0|2,0,0]=4 59 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 SY001844 [0,0,1,0,1,0|2,0,0]=4 60 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 SY021366 [0,0,1,0,1,0|1,1,0]=4 61 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 SY229641 [0,0,1,0,1,0|2,0,0]=4 62 B12R1.20 CC(C(N)=O)C1=CC=C(Br)C=C1 SY233699 [0,0,1,0,1,0|0,1,1]=4 63 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 SY023256 [0,0,1,0,1,0|2,0,0]=4 64 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 SY232364 [0,0,1,0,1,0|2,0,0]=4 65 B12R1.20 C[C@H](C(=O)O)C1=CC=C(O)C=C1 SY232323 [0,0,1,0,1,0|2,0,0]=4 66 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 SY017756 [0,0,1,0,1,0|2,0,0]=4 67 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 SY034129 [0,0,1,0,1,0|2,0,0]=4 68 B12R1.20 O=C(O)C(F)C1=CC=C(Cl)C=C1 SY263425 [0,0,1,0,1,0|2,0,0]=4 69 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 SY018914 [0,0,1,0,1,0|2,0,0]=4 70 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SY029843 [1,0,0,0,1,0|2,0,0]=4 71 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 SY258053 [1,0,0,0,1,0|1,0,1]=4 72 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 SY267181 [1,0,0,0,1,0|1,0,1]=4 73 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 SY047274 [0,0,0,0,2,0|0,1,1]=4 74 B12R2.79 NC1CC1C2=CC=C(F)C=C2 SY044993 [0,0,0,0,2,0|0,1,1]=4 75 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 SY045000 [0,0,0,0,2,0|0,1,1]=4 76 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 SY045001 [0,0,0,0,2,0|0,1,1]=4 77 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 SY010607 [1,0,0,0,0,1|1,0,1]=4 78 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 SY007401 [1,0,0,0,0,1|1,0,1]=4 79 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 SY030001 [1,0,0,0,0,1|1,0,1]=4 80 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 SY207241 [1,0,0,0,0,1|1,0,1]=4