0 B8R0.28 CN(C)C\C=C/C(=O)O CS-0164231 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 C=CCCC[C@H](C)O CS-1049849 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.4 CC(=O)CCCCO CS-0514254 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.4 CCCCCC(N)=O CS-0128758 [1,0,0,0,0,0|2,0,0]=3 4 B9R0.1 COC(=O)CCCC(C)Br CS-0884141 [0,1,0,0,0,0|2,0,0]=3 5 B9R0.7 CC(C)CC[C@H](N)C(=O)O CS-0154246 [0,1,0,0,0,0|2,0,0]=3 6 B9R0.56 CC(C)(C)OCCC(=O)O CS-0449701 [0,1,0,0,0,0|3,0,0]=4 7 B9R0.56 CC(N)CCCC(C)(C)O CS-0769718 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.35 CC(C)C1=NNC(=O)C1 CS-0047055 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.35 CC1CCC(C(=O)O)C1 CS-0217541 [0,0,0,1,0,0|2,0,0]=3 10 B9R1.35 CN1CCC(C(=O)O)C1 CS-0058763 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 CS-0035602 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 CS-0340668 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.66 CC1(C)CNCC(=O)N1 CS-0185258 [0,0,0,1,0,0|3,0,0]=4 14 B7R0.6 CC(=O)NCC(C)O CS-0223956 [0,0,0,0,1,0|2,0,0]=3 15 B7R0.6 CC(C)CC[N+](=O)[O-] CS-0252338 [0,0,0,0,1,0|2,0,0]=3 16 B7R0.6 CC(C)CNC(N)=S CS-0463955 [0,0,0,0,1,0|2,1,0]=4 17 B7R0.6 C[C@H](N)CCC(=O)O CS-0753666 [0,0,0,0,1,0|2,0,0]=3 18 B6R0.4 CC(C)CCCN CS-0252871 [2,0,0,0,0,0|1,0,1]=4 19 B6R0.4 CNCCC(C)O CS-0459922 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.4 CSCCC(C)O CS-0242060 [2,0,0,0,0,0|1,1,0]=4 21 B6R0.4 O=C(O)CCCF CS-0491783 [2,0,0,0,0,0|2,0,0]=4 22 B8R0.5 CCOC(C)SC(C)=O CS-0160359 [1,1,0,0,0,0|1,1,0]=4 23 B8R0.6 CCCCCC(=O)O[Na] CS-0152338 [1,1,0,0,0,0|2,0,0]=4 24 B8R0.7 CCCC\C=C\C(=O)O CS-0161412 [1,1,0,0,0,0|2,0,0]=4 25 B8R0.7 COCCOCC(=O)O CS-0527874 [1,1,0,0,0,0|2,0,0]=4 26 B8R0.23 CC(C)C[C@H](Br)C(=O)O CS-0134712 [0,1,0,0,1,0|1,0,0]=3 27 B8R0.29 CC(C)(C)CCC(=O)O CS-0440906 [0,1,0,0,1,0|1,0,0]=3 28 B8R0.29 CC(C)(F)CCC(=O)O CS-0867883 [0,1,0,0,1,0|1,0,0]=3 29 B10R0.98 C=C(C)C(=O)OCCN(C)C CS-0540035 [0,1,0,0,0,1|2,0,0]=4 30 B8R1.1 C=C[C@@H]1COC(=O)C1 CS-B0325 [1,0,0,1,0,0|0,0,2]=4 31 B8R1.1 CCC1CCC(=O)O1 CS-W016608 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.1 O=C1OCC(CCl)O1 CS-0231732 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.4 CC1CC(O)CCO1 CS-0051835 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.4 CC1CCNC(=O)C1 CS-0052341 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.4 C[C@@H]1C[C@H](O)CCO1 CS-0472514 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.7 CC(=O)C1CCOC1 CS-W004273 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.7 CC(=O)[C@@H]1CCCO1 CS-0444349 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.7 CC(N)C1CCOC1 CS-0486993 [1,0,0,1,0,0|1,0,1]=4 39 B8R1.22 O=C1CCCOCC1 CS-0037287 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.72 CC1(O)CC=CCC1 CS-0998568 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.51 CC1(C)CC(=O)NO1 CS-0067871 [0,0,0,1,1,0|2,0,0]=4 42 B8R1.77 CC1(C)C[C@@H]1C(=O)O CS-W019469 [0,0,0,1,1,0|1,0,0]=3 43 B10R1.54 CC1CCC(CC(=O)O)C1 CS-0524638 [0,0,0,1,0,1|2,0,0]=4 44 B10R1.113 CC(C)[C@@H]1COCC(=O)N1 CS-0098278 [0,0,0,1,0,1|1,0,0]=3 45 B10R1.485 CC1(C#N)CCCC(=O)C1 CS-D1237 [0,1,0,1,0,0|1,0,1]=4 46 B10R1.329 CC1CC(=O)CC(C)(C)C1 CS-0070744 [0,1,0,1,0,0|1,0,0]=3 47 B10R2.534 O=C1CCNC2(CC2)C1 CS-0506033 [0,0,0,2,0,0|2,0,0]=4 48 B6R0.2 CC(C)C[N+](=O)[O-] CS-0252339 [0,0,0,0,2,0|2,0,0]=4 49 B6R0.2 CC(C)OC(=S)[S-] CS-0109042 [0,0,0,0,2,0|1,1,0]=4 50 B10R0.97 CC(=O)OCCCOC(C)=O CS-0535666 [0,0,0,0,0,2|1,0,1]=4 51 B10R0.97 CC(C)CCCCCC(=O)O CS-0265355 [0,0,0,0,0,2|2,0,0]=4