0 B6R0.2 C(CC(=O)O)(=O)O ACS015709 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.2 C(CC(=O)O)(=O)O ACS015731 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.2 CC(=CC(=O)O)C ACS012002 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 C(/C=C/C)(=O)O ACS015662 [1,0,0,0,0,0|2,0,0]=3 4 B5R0.1 C(C#CC)(=O)O ACS011747 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 CC(CC=O)C ACS015719 [1,0,0,0,0,0|1,0,2]=4 6 B5R0.1 COCC(=O)N ACS015711 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.2 C(CC(=O)C)(=O)OC ACS015718 [0,1,0,0,0,0|2,0,0]=3 8 B7R0.2 COC(CC(=O)[O-])=O ACS015730 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.9 C(C)(=O)OC(C)(C)C ACS024598 [0,1,0,0,0,0|0,0,2]=3 10 B7R1.2 CC1=NNC(=C1)C ACS015339 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.2 CC1=NOC(=C1)C ACS015338 [0,0,0,1,0,0|2,0,1]=4 12 B7R1.2 CN1N=C(C=C1)C ACS011202 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.2 FC1CC(CC1)=O ACF022433 [0,0,0,1,0,0|2,0,1]=4 14 B7R1.2 IC1=CN=C(S1)C ACS017445 [0,0,0,1,0,0|2,1,0]=4 15 B7R1.2 IC=1N=C(SC1)C ACS017642 [0,0,0,1,0,0|2,1,0]=4 16 B7R1.2 N1C(CCC1=O)=O ACS015391 [0,0,0,1,0,0|2,0,0]=3 17 B5R0.5 C(C(=O)C)(=O)O ACS015732 [0,0,0,0,1,0|2,0,0]=3 18 B5R0.5 C(C(C)C)(=O)Cl ACS013410 [0,0,0,0,1,0|1,0,2]=4 19 B5R0.5 CC(C(=O)O)Cl ACS010833 [0,0,0,0,1,0|2,0,1]=4 20 B5R0.5 C[C@@H](C(=O)O)Br ACS011128 [0,0,0,0,1,0|2,0,1]=4 21 B5R0.5 FC(C(=O)C)F ACF024170 [0,0,0,0,1,0|2,0,1]=4 22 B5R0.5 FC(C(=O)O)C ACF017008 [0,0,0,0,1,0|2,0,1]=4 23 B5R0.5 NC(=O)C(=O)N ACS011838 [0,0,0,0,1,0|3,0,0]=4 24 B5R0.5 N[C@H](C)C(=O)O ACS011403 [0,0,0,0,1,0|2,0,1]=4 25 B4R0.1 BrCC(C)=O ACS012097 [2,0,0,0,0,0|1,0,1]=4 26 B4R0.1 C(C=C)(=O)N ACS015634 [2,0,0,0,0,0|1,0,0]=3 27 B4R0.1 C(CC)(=O)Cl ACS013417 [2,0,0,0,0,0|1,0,1]=4 28 B4R0.2 C(/C=C/C)=O ACS015659 [2,0,0,0,0,0|1,0,0]=3 29 B4R0.2 C(=C)OCC ACS015700 [2,0,0,0,0,0|0,0,1]=3 30 B4R0.2 C(=O)OCC ACS015696 [2,0,0,0,0,0|0,0,1]=3 31 B4R0.2 C(CCC)=O ACS015647 [2,0,0,0,0,0|1,0,1]=4 32 B4R0.2 CCOCC ACF015760 [2,0,0,0,0,0|0,0,2]=4 33 B6R0.1 BrCC(=O)OCC ACS015691 [1,1,0,0,0,0|0,0,1]=3 34 B6R0.1 C(/C=C/C)(=O)OC ACS015752 [1,1,0,0,0,0|1,0,0]=3 35 B6R0.1 C(C)OC(CN)=O ACS015702 [1,1,0,0,0,0|0,0,1]=3 36 B6R0.1 ClCC(=O)OCC ACS015694 [1,1,0,0,0,0|0,0,1]=3 37 B6R0.1 I\C=C\C(=O)OC ACS011459 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.3 N[C@H](C(=O)O)C=C ACS012215 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.7 CC(C(C)(C)C)=O ACS015733 [0,1,0,0,1,0|0,0,2]=4 40 B8R0.5 C(CC(=O)C)(=O)OCC ACS015689 [0,2,0,0,0,0|2,0,0]=4 41 B8R0.5 C(OCCl)(OC(C)C)=O ACS012188 [0,2,0,0,0,0|0,0,2]=4 42 B8R0.19 ClCC(CC(=O)OC)=O ACS011413 [0,2,0,0,0,0|2,0,0]=4 43 B8R0.24 BrCC(=O)OC(C)(C)C ACS024599 [0,2,0,0,0,0|0,0,2]=4 44 B8R0.24 ClCC(=O)OC(C)(C)C ACS024600 [0,2,0,0,0,0|0,0,2]=4 45 B6R1.2 C1(CCCC1)=O ACS012220 [1,0,0,1,0,0|1,0,1]=4 46 B6R1.2 CC1=CNC=C1 ACS011599 [1,0,0,1,0,0|2,0,0]=4 47 B6R1.2 CC1=CSC=C1 ACS015380 [1,0,0,1,0,0|1,1,0]=4 48 B6R1.2 CC=1N=CNC1 ACS011012 [1,0,0,1,0,0|2,0,0]=4 49 B6R1.2 CC=1OC=CC1 ACS015370 [1,0,0,1,0,0|0,0,1]=3 50 B6R1.2 N1C(NC=C1)=O ACS011886 [1,0,0,1,0,0|2,0,0]=4 51 B6R1.2 S1CC(CC1)=O ACS010816 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.3 C1(=CC=C(C=C1)C)C ACS015032 [0,0,0,1,0,1|2,0,0]=4 53 B8R1.3 CC1=NC=C(C=C1)C ACS015205 [0,0,0,1,0,1|2,0,0]=4 54 B8R1.3 CC=1C=CC(NN1)=O ACS015494 [0,0,0,1,0,1|1,0,1]=4 55 B8R1.1 C1=CC(=O)O[C@@H]1CO ACS010998 [0,1,0,1,0,0|0,0,2]=4 56 B8R1.1 CC1=CC=C(S1)C=O ACS010765 [0,1,0,1,0,0|0,1,1]=4 57 B8R1.1 ClCC=1N=C(SC1)C ACS018765 [0,1,0,1,0,0|1,1,0]=4 58 B8R1.1 ClCC=1OC(=NN1)C ACS023910 [0,1,0,1,0,0|2,0,0]=4 59 B8R1.4 C1(=CC(=CC=C1)C)C ACS015031 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.4 CC1=NC(=CC=C1)C ACS015206 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.4 CC=1N=NC=C(C1)C ACS015340 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.18 CC=1OC(OC1C)=O ACS015336 [0,1,0,1,0,0|1,0,0]=3 63 B8R1.50 ClN1C(CCC1=O)=O ACS024398 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.50 IN1C(CCC1=O)=O ACS011522 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.50 ON1C(CCC1=O)=O ACS011400 [0,1,0,1,0,0|2,0,0]=4