0 B18R2.7189 O=C(NCCC1=CC=CC=C1)C2=CC=CC=C2 P64247 [0,0,0,0,0,0|1,0,0]=1 1 B17R2.2382 C1=CC=C(CSSCC2=CC=CC=C2)C=C1 D68268 [1,0,0,0,0,0|1,1,1]=4 2 B17R2.2382 C1=CC=C(OCCOC2=CC=CC=C2)C=C1 D65449 [1,0,0,0,0,0|3,0,0]=4 3 B17R2.2382 C1=CC=C(\C=C\C=C\C2=CC=CC=C2)C=C1 D68773 [1,0,0,0,0,0|1,0,2]=4 4 B19R3.27 C1=CC=C([C@H]2COC(C3=NC=CC=C3)=N2)C=C1 D62680 [0,0,0,1,0,0|2,0,0]=3 5 B19R3.17443 NC1=NN(CC2=CC=CC=C2)C3=C1C=CC=C3 B57594 [0,0,0,1,0,0|3,0,0]=4 6 B19R3.17443 [O-]C1=NN(CC2=CC=CC=C2)C3=C1C=CC=C3 S58074 [0,0,0,1,0,0|2,0,1]=4 7 B17R2.2342 C[C@@H](NCC1=CC=CC=C1)C2=CC=CC=C2 B39732 [0,0,0,0,1,0|2,0,1]=4 8 B17R2.2342 C[C@H](NCC1=CC=CC=C1)C2=CC=CC=C2 B68756 [0,0,0,0,1,0|2,0,1]=4 9 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 B57604 [0,0,0,0,1,0|1,0,0]=2 10 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CN=CC=C2 B64780 [0,0,0,0,1,0|1,0,0]=2 11 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 D69396 [0,0,0,0,1,0|0,0,2]=3 12 B17R2.2342 O[C@@H](COC1=CC=CC=C1)C2=CC=CC=C2 P57651 [0,0,0,0,1,0|1,0,2]=4 13 B18R2.253 CC1=CC=C(C(=O)OCC2=CC=CC=C2)C=C1 B58228 [0,1,0,0,1,0|0,0,0]=2 14 B18R2.253 NC1=CC=C(C(=O)NCC2=CN=CC=C2)C=C1 A65840 [0,1,0,0,1,0|2,0,0]=4 15 B18R2.253 O=C(OCC1=CC=CC=C1)C2=CC=C(I)C=C2 B37269 [0,1,0,0,1,0|0,0,0]=2 16 B18R2.257 O=C(\C=C\C1=CC=C(F)C=C1)C2=CC=CC=C2 F62139 [0,1,0,0,1,0|0,0,2]=4 17 B18R2.3634 O=C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 D68292 [0,1,0,0,1,0|0,0,1]=3 18 B18R2.3634 O=C(OC(=O)C1=CC=CC=C1)C2=CC=CC=C2 B60802 [0,1,0,0,1,0|0,0,1]=3 19 B20R2.130 COC1=CC=C(C(=O)CNCC2=CC=CC=C2)C=C1 B58878 [0,2,0,0,0,0|2,0,0]=4 20 B20R2.15224 O=C(NCCC1=CC=C(O)C=C1)C2=CC=C(Cl)C=C2 C58221 [0,2,0,0,0,0|1,0,0]=3 21 B20R2.4645 CN(CC(=O)C1=CC(O)=CC=C1)CC2=CC=CC=C2 B58879 [0,2,0,0,0,0|2,0,0]=4 22 B18R3.2108 C1=CC=C([C@@H]2NCCC3=C2C=CC=C3)C=C1 P58253 [1,0,0,1,0,0|1,0,1]=4 23 B18R3.2108 C1=CC=C([C@@H]2NCCC3=C2C=CC=C3)C=C1 P64248 [1,0,0,1,0,0|1,0,1]=4 24 B18R3.2108 C1=CC=C([C@H]2NCCC3=C2C=CC=C3)C=C1 P58254 [1,0,0,1,0,0|1,0,1]=4 25 B18R3.11551 O=C1C[C@H](C2=CC=CC=C2)C3=C1C=CC=C3 P58164 [0,0,0,1,1,0|0,0,0]=2 26 B20R3.2719 C1=CC=C(C[C@@H]2COC(C3=NC=CC=C3)=N2)C=C1 D62689 [0,0,0,1,0,1|2,0,0]=4 27 B20R3.2719 C1=CC=C(C[C@H]2COC(C3=NC=CC=C3)=N2)C=C1 B62678 [0,0,0,1,0,1|2,0,0]=4 28 B20R3.3470528 O=C1O[IH2](C#CC2=CC=CC=C2)C3=C1C=CC=C3 P31871 [0,0,0,1,0,1|0,0,2]=4 29 B20R3.413 O=C1CN(CC2=CC=CC=C2)C3=C(C=CC=C3)N1 B58216 [0,0,0,1,0,1|2,0,0]=4 30 B20R3.3197887 O=C1CC[C@@H](C2=C(F)C=CC=C2)C3=C1C=CC=C3 F58618 [0,1,0,1,0,0|1,0,0]=3 31 B20R3.13449 O=C1CN(CC2=CC=CC=C2)CC3=C1C=CC=C3 B58875 [0,1,0,1,0,0|2,0,0]=4 32 B20R3.87917 O=C1OC(=CC2=CC=C(Cl)C=C2)C3=C1C=CC=C3 C58525 [0,1,0,1,0,0|0,0,2]=4 33 B16R2.2256 C1=CC=C(CCOC2=CC=CC=C2)C=C1 P67709 [1,0,0,0,1,0|0,0,0]=2 34 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 D69321 [1,0,0,0,1,0|1,0,1]=4 35 B16R2.2256 C1=CC=C(SCSC2=CC=CC=C2)C=C1 B56796 [1,0,0,0,1,0|1,1,0]=4 36 B16R2.88 CN(CC1=CC=CC=C1)C2=CC=CC=C2 B57663 [0,0,0,0,2,0|2,0,0]=4 37 B16R2.88 N=C(NC1=CC=CC=C1)C2=CC=CC=C2 P56744 [0,0,0,0,2,0|2,0,0]=4 38 B16R2.88 O=C(CC1=CC=NC=C1)C2=CC=CC=C2 P38200 [0,0,0,0,2,0|1,0,0]=3 39 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=NC=C2 P55559 [0,0,0,0,2,0|2,0,0]=4