0 B7R0.6 CC(=O)CCN(C)C 4090669 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 CC(=O)CCN(C)C 5108147 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.6 CC(C)CCC(=N)N 4012910 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 CC(C)CCC(=N)N 4091144 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.6 CC(C)NCC(=O)O 4028411 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.6 CC(C)OCC(=O)O 4020858 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.6 CC(C)SCC(=O)O 4028613 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.4 C=CCNC(C)C 4026873 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.4 C=CCNC(C)C 4090944 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 CNCCC(=O)O 4036102 [1,0,0,0,0,0|1,0,2]=4 10 B8R0.9 CC(C)CNC(=O)CCl 4025710 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.9 CCN(C)CCC(=O)O 4027808 [0,1,0,0,0,0|1,0,2]=4 12 B8R0.9 CCN(C)CCC(=O)O 4089689 [0,1,0,0,0,0|1,0,2]=4 13 B8R0.23 CC(=O)CC(=O)C(C)C 4036300 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.23 CC(=O)CN(C)C(C)C 4028473 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.23 CC(C)N(C)CC(=O)O 4027636 [0,1,0,0,0,0|1,0,1]=3 16 B8R0.23 CC(C)NC(=O)C(=O)O 4030323 [0,1,0,0,0,0|1,0,0]=2 17 B8R0.23 CC(C)OC(C)C(=O)O 4020867 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.23 CC(CC(=O)O)N(C)C 4027634 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.23 CC(CN(C)C)C(=O)O 4028170 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.29 CC(C)(C)CCC(=O)O 4027662 [0,1,0,0,0,0|0,0,2]=3 21 B8R0.29 CC(C)(N)CCC(=O)O 4020441 [0,1,0,0,0,0|0,0,2]=3 22 B8R0.29 CC(C)(O)C#CC(=O)O 5858379 [0,1,0,0,0,0|0,0,2]=3 23 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 4079353 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.35 O=C(O)C#CC1CC1 5118948 [0,0,0,1,0,0|0,0,2]=3 27 B8R1.51 CC1(C)CCC(=O)C1 4042132 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.51 CC1(C)CNC(=O)C1 4026748 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.51 CC1(C)COC(=O)C1 4108200 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.51 CC1(C)COC(=O)N1 4044911 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.51 NC1C=CS(=O)(=O)C1 4090730 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.51 NC1C=CS(=O)(=O)C1 4100795 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.51 O=S1(=O)C=CC(Cl)C1 4011803 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.77 CC1(C)CC1C(=O)O 4031328 [0,0,0,1,0,0|0,0,2]=3 35 B6R0.2 CC(C)CC(=N)N 4012906 [0,0,0,0,1,0|2,0,1]=4 36 B8R0.28 CC(C)NCCC(N)=O 4029400 [0,0,0,0,0,1|1,0,2]=4 37 B7R0.2 CCN(C)CC(=O)O 4026801 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.2 CNC(=O)CC(=O)O 4027258 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.4 CCCOCC(=O)O 4020861 [1,1,0,0,0,0|0,0,2]=4 40 B7R0.4 CCCSCC(=O)O 4028731 [1,1,0,0,0,0|0,0,2]=4 41 B7R0.4 CCSCCC(=O)O 4028457 [1,1,0,0,0,0|0,0,2]=4 42 B7R0.5 CCOC(C)C(=O)O 4020873 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.5 CCSC(C)C(=O)O 4028492 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.16 CC(=O)C(=O)N(C)C 4051999 [0,1,0,0,1,0|2,0,0]=4 45 B7R0.16 CC(C(=O)O)N(C)C 4028231 [0,1,0,0,1,0|1,0,1]=4 46 B9R0.7 CC(C)C(=O)NCC(=O)O 4029604 [0,1,0,0,0,1|0,0,1]=3 47 B9R0.7 CC(C)CNC(=O)C(=O)O 4030063 [0,1,0,0,0,1|0,0,1]=3 48 B9R0.7 CC(C)N(C)CCC(=O)O 4028345 [0,1,0,0,0,1|0,0,2]=4 49 B9R0.7 CC(C)N(C)CCC(=O)O 4091071 [0,1,0,0,0,1|0,0,2]=4 50 B9R0.7 CN(C)C(=O)NCC(=O)O 4028570 [0,1,0,0,0,1|1,0,1]=4 51 B9R0.42 CCC(C)NC(=O)C(=O)O 4027251 [0,2,0,0,0,0|1,0,0]=3 52 B9R0.48 C=C(C)\C=C\C(=O)OCC 4074677 [0,2,0,0,0,0|0,0,2]=4 53 B9R0.64 CC(C)(C#N)CCC(=O)O 4110676 [0,2,0,0,0,0|0,0,2]=4 54 B9R0.11 CC(C)S(=O)(=O)CC(=O)O 4027959 [0,2,0,0,0,0|1,0,1]=4 55 B9R0.57 CC(C)(C)NC(=O)C(=O)O 4027307 [0,2,0,0,0,0|1,0,0]=3 56 B7R1.2 CC1CNC(=O)C1 4026755 [1,0,0,1,0,0|1,0,1]=4 57 B7R1.2 CC1CNC(=O)O1 4043936 [1,0,0,1,0,0|1,0,1]=4 58 B7R1.3 O=C1NCCCO1 4035958 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.35 CC(C)C1=CSC(N)=N1 4030723 [0,0,0,1,0,1|2,0,0]=4 60 B9R1.35 CC(C)C1=NC=C(Br)N1 4042592 [0,0,0,1,0,1|2,0,0]=4 61 B9R1.35 CC(C)C1=NN=C(N)O1 4013101 [0,0,0,1,0,1|2,0,0]=4 62 B9R1.35 CC(C)C1=NN=C(O)S1 4044929 [0,0,0,1,0,1|1,1,0]=4 63 B9R1.35 CC(C)C1=NOC(O)=N1 4042921 [0,0,0,1,0,1|2,0,0]=4 64 B9R1.35 CC1=CNC(C(=O)O)=N1 4401881 [0,0,0,1,0,1|1,0,1]=4 65 B9R1.35 CC1=NC(C(=O)O)=CN1 4018371 [0,0,0,1,0,1|1,0,1]=4 66 B9R1.35 CC1=NC(C(=O)O)=CS1 4087997 [0,0,0,1,0,1|1,0,1]=4 67 B9R1.35 CC1=NC(C(=O)O)=CS1 4400182 [0,0,0,1,0,1|1,0,1]=4 68 B9R1.35 CN1C=C(C(=O)O)C=N1 4005269 [0,0,0,1,0,1|1,0,1]=4 69 B9R1.35 CN1C=CC(C(=O)O)=N1 4401286 [0,0,0,1,0,1|2,0,0]=4 70 B9R1.35 CN1C=NC(C(=O)O)=N1 4110445 [0,0,0,1,0,1|2,0,0]=4 71 B9R1.85 O=C(O)CSCC1CC1 4028705 [0,0,0,1,0,1|0,0,2]=4 72 B9R1.69 CC1=C(C)NC(=O)C=C1 4034896 [0,1,0,1,0,0|1,0,1]=4 73 B9R1.84 O=C(O)CCC1CCC1 4030352 [0,1,0,1,0,0|0,0,2]=4 74 B9R1.137 CC(=O)CC(=O)C1CC1 5108777 [0,1,0,1,0,0|1,0,1]=4 75 B9R2.143 O=C(O)C1CC12CC2 4012322 [0,0,0,2,0,0|0,0,2]=4 76 B5R0.5 CC(C)C(=N)N 4034735 [0,0,0,0,2,0|2,0,0]=4 77 B5R0.5 CC(C)C(=N)N 4088764 [0,0,0,0,2,0|2,0,0]=4