0 B9R1.37 CC1=NN(C)C(F)=C1I Q53426 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.37 CC1=NN(C)C(N)=C1Br I-9960 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.18 CC1=NN(C)C(Br)=C1 C-2888 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.18 CC1=NN(C)C(Br)=C1 I-9623 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.18 CC1=NN(C)C(Br)=C1 O33273 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.18 CC1=NN(C)C(I)=C1 Q62006 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.18 CC1=NN(C)C=C1Br L18470 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.18 CC1=NN(C)C=C1N A-858 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.18 CC1=NN(C)C=C1N A-858-1 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.18 CC1=NN(C)C=C1N O30250 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.18 CC1=NN(C)C=C1O Q61948 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.50 CC1=C(C)C(N)=NO1 A-570 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.50 CC1=C(O)C=NN1C Q61947 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.50 CC1=C(O)COC1=O O32297 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.50 CC1=NOC(C)=C1Br C-3323 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.50 CN1CCC(=O)C1=O Q59432 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.50 O=C1CCC(O)=C1F Q54658 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.50 O=C1CCC(O)=C1I Q54659 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.25 O=C1C(=O)C(O)=C1O P45810 [0,0,0,0,1,0|2,0,1]=4 19 B10R1.22 CC1=CC(C)=C(O)C(Br)=C1 N24428 [0,0,0,0,0,1|2,0,1]=4 20 B10R1.22 CC1=CN(C)C(=O)C(Br)=C1 N26507 [0,0,0,0,0,1|3,0,0]=4 21 B10R1.22 CC1CC(=O)C(F)=C(O)C1 P50218 [0,0,0,0,0,1|3,0,0]=4 22 B7R0.2 CCC(=O)CC(=O)O P43007 [1,0,1,0,0,0|1,0,1]=4 23 B7R0.2 CCC(=O)CC(C)=O O31794 [1,0,1,0,0,0|0,0,2]=4 24 B7R0.5 CCNC(C)C(=O)O P36832 [1,0,1,0,0,0|1,0,1]=4 25 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [1,0,1,0,0,0|1,0,1]=4 26 B7R0.5 CCN[C@H](C)C(=O)O P35138 [1,0,1,0,0,0|1,0,1]=4 27 B7R0.5 CCOC(=O)C(=O)O P37044 [1,0,1,0,0,0|1,0,0]=3 28 B7R0.7 CCOC(=O)\C=C\[O-] I-9388 [1,0,1,0,0,0|1,0,1]=4 29 B7R1.2 CC1=NN(C)C=C1 A-857 [2,0,0,0,0,0|2,0,0]=4 30 B7R1.2 NC1=CC(=O)CC1 O29931 [2,0,0,0,0,0|2,0,0]=4 31 B7R1.4 O=C1CCC=C1O A-670 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.22 CC1=NC(CO)=C(C)O1 O30534 [1,1,0,0,0,0|1,0,1]=4 33 B9R1.22 CC1=NN(C)C=C1CO Q62002 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.132 COC1=C(Br)C(=O)CC1 Q53459 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.464 CC1=CC(C)=C(C=O)C(O)=C1 P40722 [0,1,0,0,0,1|1,0,1]=4 36 B11R1.464 CC1=CC(C)=C(C=O)C(O)=N1 S72815 [0,1,0,0,0,1|1,0,1]=4 37 B9R1.3 O=C1CCCC(O)=C1Cl P44934 [0,0,1,1,0,0|1,0,0]=3 38 B9R1.3 O=C1CCCC(O)=C1F O33419 [0,0,1,1,0,0|1,0,0]=3 39 B9R1.3 O=C1CCCC(O)=C1I L22382 [0,0,1,1,0,0|1,0,0]=3 40 B9R1.3 O=C1COCC(O)=C1I Q54496 [0,0,1,1,0,0|2,0,0]=4 41 B9R2.39 O=C1CC2CCC1O2 P45436 [1,0,0,1,0,0|0,0,2]=4 42 B9R1.34 CC1CC(=O)CC(=O)O1 H-8797 [1,0,0,0,0,1|1,0,1]=4 43 B9R1.34 CC1CC(=O)CC(C)O1 F-4696 [1,0,0,0,0,1|0,0,2]=4 44 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55059 [1,0,0,0,0,1|0,0,2]=4 45 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55809 [1,0,0,0,0,1|0,0,2]=4 46 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 L14381 [1,0,0,0,0,1|0,0,2]=4 47 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 Q55060 [1,0,0,0,0,1|0,0,2]=4