0 B8R0.28 CN(C)C\C=C/C(=O)O CS-0164231 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 C#CCCCN(C)C CS-0966989 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.4 C#CCCNC(C)C CS-0850466 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.4 C=CCCC[C@H](C)O CS-1049849 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.4 CC(=O)CCCCO CS-0514254 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 CCCCCC(N)=O CS-0128758 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.4 O=[N+]([O-])CCCCO CS-0198124 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.1 COC(=O)CCCC(C)Br CS-0884141 [0,1,0,0,0,0|1,0,0]=2 8 B9R0.7 CC(C)CC[C@H](N)C(=O)O CS-0154246 [0,1,0,0,0,0|0,0,0]=1 9 B9R0.7 NC(CCC(=O)O)C(=O)O CS-W022635 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.56 CC(C)(C)OCCC(=O)O CS-0449701 [0,1,0,0,0,0|1,0,0]=2 11 B9R0.56 CC(N)CCCC(C)(C)O CS-0769718 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.56 O=C(O)CCCC(F)(F)F CS-M3258 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.35 CC1CCC(C(=O)O)C1 CS-0217541 [0,0,0,1,0,0|0,0,0]=1 14 B9R1.35 CN1CCC(C(=O)O)C1 CS-0058763 [0,0,0,1,0,0|1,0,0]=2 15 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 CS-0035602 [0,0,0,1,0,0|1,0,0]=2 16 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 CS-0340668 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.35 O=C1COC(C(=O)O)C1 CS-0627494 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.53 O=C(O)CN1CC(F)C1 CS-0624091 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.66 CC1(C)CNCC(=O)N1 CS-0185258 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O CS-0047742 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.170 O=C(O)CC1CC1(F)F CS-0055996 [0,0,0,1,0,0|2,0,0]=3 22 B7R0.6 CC(=O)NCC(C)O CS-0223956 [0,0,0,0,1,0|3,0,0]=4 23 B7R0.6 CC(C)CC[N+](=O)[O-] CS-0252338 [0,0,0,0,1,0|1,0,1]=3 24 B7R0.6 CC(C)CNC(N)=S CS-0463955 [0,0,0,0,1,0|2,1,0]=4 25 B7R0.6 C[C@H](N)CCC(=O)O CS-0753666 [0,0,0,0,1,0|1,0,0]=2 26 B6R0.4 CC(C)CCCN CS-0252871 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.4 O=C(O)CCCF CS-0491783 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.6 CCCCCCO CS-0076046 [2,0,0,0,0,0|0,0,1]=3 29 B8R0.6 CCCCCC(=O)O[Na] CS-0152338 [1,1,0,0,0,0|0,0,0]=2 30 B8R0.6 OCCCCC(O)CO CS-W013379 [1,1,0,0,0,0|1,0,1]=4 31 B8R0.7 CCCC\C=C\C(=O)O CS-0161412 [1,1,0,0,0,0|0,0,1]=3 32 B8R0.7 COCCOCC(=O)O CS-0527874 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.7 NCCCNCC(=O)O CS-0119868 [1,1,0,0,0,0|1,0,0]=3 34 B8R0.7 NCCNCCC(=O)[O-] CS-0162521 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.7 NCCOCCC(=O)O CS-0114519 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.9 CC(C)NCC(O)CO CS-0454515 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.9 NC[C@@H](N)CCC(=O)O CS-0539323 [1,1,0,0,0,0|1,0,0]=3 38 B8R0.23 CC(C)C[C@H](Br)C(=O)O CS-0134712 [0,1,0,0,1,0|0,0,0]=2 39 B8R0.29 CC(C)(C)CCC(=O)O CS-0440906 [0,1,0,0,1,0|0,0,0]=2 40 B8R0.29 CC(C)(F)CCC(=O)O CS-0867883 [0,1,0,0,1,0|0,0,0]=2 41 B10R0.57 CCC(C)C(=O)NCC(=O)O CS-0201710 [0,2,0,0,0,0|1,0,1]=4 42 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O CS-0150133 [0,2,0,0,0,0|2,0,0]=4 43 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O CS-0111658 [0,2,0,0,0,0|2,0,0]=4 44 B8R1.1 CCC1CCC(=O)O1 CS-W016608 [1,0,0,1,0,0|0,0,0]=2 45 B8R1.1 CN1CC[C@H](CO)C1 CS-0053041 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.1 O=C1CC[C@@H](CO)O1 CS-W002306 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.1 O=C1OCC(CCl)O1 CS-0231732 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.4 CC1CC(O)CCO1 CS-0051835 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.4 CC1CCNC(=O)C1 CS-0052341 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.4 C[C@@H]1CCC[C@H](N)C1 CS-0309584 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.4 C[C@@H]1C[C@H](O)CCO1 CS-0472514 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.4 N[C@H]1CCC[C@@H](O)C1 CS-0042346 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.7 CC(=O)C1CCOC1 CS-W004273 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.7 CC(=O)[C@@H]1CCCO1 CS-0444349 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.22 O=C1CCCOCC1 CS-0037287 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O CS-0160090 [1,0,0,1,0,0|1,0,0]=3 58 B8R1.34 O=C(O)CN1CCC1 CS-0254192 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.72 CC1(C)CNCCO1 CS-0052185 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.77 CC1(C)C[C@@H]1C(=O)O CS-W019469 [0,0,0,1,1,0|0,0,0]=2 61 B10R1.54 CC1CCC(CC(=O)O)C1 CS-0524638 [0,0,0,1,0,1|0,0,0]=2 62 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 CS-WAA0246 [0,0,0,1,0,1|1,0,0]=3 63 B10R1.113 CC(C)N1CCCC(O)C1 CS-0316084 [0,0,0,1,0,1|1,0,1]=4 64 B10R1.113 CC(C)[C@@H]1COCC(=O)N1 CS-0098278 [0,0,0,1,0,1|1,0,0]=3 65 B10R1.113 CN1CCCC(C(N)=O)C1 CS-0332372 [0,0,0,1,0,1|2,0,0]=4 66 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)O1 CS-0926353 [0,0,0,1,0,1|1,0,0]=3 67 B10R1.13 NC(=O)[C@@H]1CC[C@@H](N)CO1 CS-0146868 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 CS-0138320 [0,1,0,1,0,0|1,0,0]=3 69 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 CS-0324362 [0,1,0,1,0,0|1,0,1]=4 70 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 CS-0112435 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.31 NC[C@@H]1CC[C@H](C(=O)O)O1 CS-0652804 [0,1,0,1,0,0|1,0,0]=3 72 B10R1.485 CC1(C#N)CCCC(=O)C1 CS-D1237 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.58 CN1CC(C(=O)O)CC1=O CS-0072294 [0,1,0,1,0,0|1,0,1]=4 74 B10R1.359 O=C(O)[C@H]1CC(F)(F)CN1 CS-0184571 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.329 CC1CC(=O)CC(C)(C)C1 CS-0070744 [0,1,0,1,0,0|1,0,0]=3 76 B10R2.348 O=C(O)C12CC(CO1)C2 CS-0134179 [0,0,0,2,0,0|1,0,0]=3 77 B10R2.357 [C@@H]12C[C@H](C(=O)O)N[C@@H]1C2 CS-0053616 [0,0,0,2,0,0|1,0,0]=3 78 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 CS-0166608 [0,0,0,2,0,0|2,0,0]=4 79 B10R2.534 O=C1CCNC2(CC2)C1 CS-0506033 [0,0,0,2,0,0|2,0,0]=4 80 B10R2.534 O=C1COCC2(CC2)N1 CS-0088418 [0,0,0,2,0,0|2,0,0]=4 81 B6R0.2 CC(C)C[N+](=O)[O-] CS-0252339 [0,0,0,0,2,0|1,0,1]=4 82 B6R0.2 O=C(O)CC(F)F CS-0054587 [0,0,0,0,2,0|2,0,0]=4 83 B10R0.97 CC(C)CCCCCC(=O)O CS-0265355 [0,0,0,0,0,2|0,0,0]=2