0 B9R1.37 CC1=C(Br)C(=O)OC1=O D86617 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.37 CC1=C(C)C(I)=C(C)S1 32779 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.37 CC1=C(O)C(=O)C[C@@H]1C D93041 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.37 CC1=NN(C)C(C)=C1O F50510 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.37 O=C1O[C@H](O)C(Br)=C1Br 31315 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.18 CC1=C(C)OC(N)=N1 F16841 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [1,0,0,0,0,0|1,0,0]=2 7 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [1,0,0,0,0,0|1,1,1]=4 8 B8R1.18 CC1=CC(Cl)=NN1C D72062 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.18 CC1=C[C@@H](O)OC1=O C77517 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.18 CC1=C[C@H](Cl)OC1=O F17135 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.18 CC1=NN(C)C=C1O F30460 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.18 CN1NC(=O)C=C1N P19144 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C75058 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.50 CC1=C(Br)C(=O)NN1 C77007 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.50 CC1=C(Br)COC1=O W19136 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.50 CC1=NNC(O)=C1C S10439 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.50 CC1=NOC(C)=C1O AT19674 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.50 CC1=NOC(N)=C1Cl 70875 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [0,0,1,0,0,0|1,0,2]=4 20 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [0,0,1,0,0,0|0,0,2]=3 21 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,0,1,0,0,0|0,0,2]=3 23 B10R1.22 CC1=CC(=O)C(Br)=C(C)O1 AT10845 [0,0,0,0,0,1|2,0,1]=4 24 B10R1.22 CC1=CC(=O)C(C)=C(C)N1 W12381 [0,0,0,0,0,1|2,0,1]=4 25 B10R1.118 CC1=C(C)NC(=O)C(Cl)=N1 C72614 [0,0,0,0,0,1|2,0,1]=4 26 B10R1.118 CC1=C(C)NC(=O)C(N)=N1 W16856 [0,0,0,0,0,1|2,0,1]=4 27 B10R1.118 CC1=C(Cl)N=C(Cl)C(=O)O1 W11390 [0,0,0,0,0,1|2,0,1]=4 28 B10R1.118 CC1=CC(O)=C(Br)C=C1C W17032 [0,0,0,0,0,1|2,0,1]=4 29 B10R1.118 CC1=NC(C)=C(C)N=C1O Y10052 [0,0,0,0,0,1|2,0,1]=4 30 B7R0.2 CC(C)OC(=O)CN FD21588 [1,0,1,0,0,0|1,0,1]=4 31 B7R0.2 CC(C)OC(=O)NN A11099 [1,0,1,0,0,0|2,0,0]=4 32 B7R0.2 CC[C@H](C)CC(=O)O 63986 [1,0,1,0,0,0|0,0,2]=4 33 B7R0.2 CO\C(C)=C/C(C)=O D93418 [1,0,1,0,0,0|2,0,0]=4 34 B7R0.5 CCC[C@H](O)C(=O)O 77792 [1,0,1,0,0,0|0,0,2]=4 35 B7R0.5 CCOC(=O)C(=N)N W18562 [1,0,1,0,0,0|2,0,0]=4 36 B7R0.5 CCOC(=O)[C@H](C)O D75729 [1,0,1,0,0,0|0,0,1]=3 37 B7R0.5 C[C@H](NC=O)C(=O)O FD21046 [1,0,1,0,0,0|2,0,0]=4 38 B7R0.10 CC[C@H](O)C(=O)OC 98375 [1,0,1,0,0,0|0,0,2]=4 39 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [1,0,1,0,0,0|1,0,1]=4 40 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [1,0,1,0,0,0|1,0,1]=4 41 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [1,0,1,0,0,0|1,0,1]=4 42 B7R0.7 C=C=CC(=O)OCC T71774 [1,0,1,0,0,0|0,0,2]=4 43 B7R1.2 CC1=CC(=O)CO1 Y10351 [2,0,0,0,0,0|2,0,0]=4 44 B7R1.2 CC1=CC=C(Br)O1 C71939 [2,0,0,0,0,0|1,0,1]=4 45 B7R1.2 CN1C=C(O)C=N1 W16286 [2,0,0,0,0,0|2,0,0]=4 46 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [2,0,0,0,0,0|0,0,0]=2 47 B7R1.2 C[C@H]1CNC(=O)O1 90054 [2,0,0,0,0,0|1,0,1]=4 48 B7R1.2 C[C@H]1COC(=O)N1 O10180 [2,0,0,0,0,0|1,0,1]=4 49 B7R1.2 C[C@H]1COC(=O)N1 W17357 [2,0,0,0,0,0|1,0,1]=4 50 B7R1.2 C[C@H]1COC(=O)O1 D77722 [2,0,0,0,0,0|1,0,1]=4 51 B7R1.2 NC1=CC(=O)CC1 90005 [2,0,0,0,0,0|2,0,0]=4 52 B7R1.2 O=C1C=C(Br)CC1 W19329 [2,0,0,0,0,0|2,0,0]=4 53 B7R1.2 O=C1C=C(Br)CO1 W10959 [2,0,0,0,0,0|1,0,0]=3 54 B7R1.2 O=C1C=C(I)CC1 A12694 [2,0,0,0,0,0|2,0,0]=4 55 B7R1.2 O=C1C=C(O)CO1 F21287 [2,0,0,0,0,0|1,0,0]=3 56 B7R1.2 O=C1C=C[C@@H](O)O1 F11119 [2,0,0,0,0,0|1,0,0]=3 57 B7R1.2 O=C1C=C[C@H](Br)O1 D96050 [2,0,0,0,0,0|1,0,0]=3 58 B7R1.2 O=C1COC(=O)N1 F20602 [2,0,0,0,0,0|2,0,0]=4 59 B7R1.4 CC1=C(C)NC=C1 F20873 [2,0,0,0,0,0|1,0,1]=4 60 B7R1.4 CC1=CCOC1=O T72100 [2,0,0,0,0,0|1,0,0]=3 61 B7R1.4 CC1=NOC=C1N O11036 [2,0,0,0,0,0|2,0,0]=4 62 B7R1.4 O=C1OCC[C@@H]1O F14291 [2,0,0,0,0,0|0,0,2]=4 63 B9R0.35 CCNC(=O)C(=O)OCC W18547 [0,1,1,0,0,0|0,0,2]=4 64 B9R0.37 CC=C(C#N)C(=O)OCC D94304 [0,1,1,0,0,0|1,0,0]=3 65 B9R0.37 CCOC(=O)\C(CCl)=N/O W19300 [0,1,1,0,0,0|1,0,1]=4 66 B9R1.22 CC1=C(CBr)OC(=O)O1 78356 [1,1,0,0,0,0|1,0,1]=4 67 B9R1.38 CC1(C)OC(=O)C=C1O W17107 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.132 COC1=C(Br)C(=O)CC1 P19034 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.278 CC1=C(C)C(O)=C(C=O)C=C1 D85771 [0,1,0,0,0,1|1,0,1]=4 70 B9R1.41 CC1=C(C(=O)O)CCO1 W15901 [0,0,1,1,0,0|2,0,0]=4 71 B9R1.34 CC1=CC(Br)=CC(=O)O1 W11181 [1,0,0,0,0,1|1,0,1]=4 72 B9R1.34 CC1=CC(N)=CC(=O)O1 W11182 [1,0,0,0,0,1|1,0,1]=4