0 B8R0.23 CC(C)C[C@H](Br)C(=O)O CS-0134712 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CS-0035659 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 NC(=O)C[C@H](N)C(=O)O CS-W018159 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.2 C[C@@H](CO)CN(C)C CS-0897817 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.5 C#CCC(O)C(=O)O CS-0237172 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.5 C#CC[C@@H](N)C(=O)O CS-0158576 [1,0,0,0,0,0|0,0,2]=3 6 B7R0.5 N[C@H](CCS)C(=O)O CS-M1780 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.6 CC(=O)NCC(C)O CS-0223956 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.6 CC(C)CC[N+](=O)[O-] CS-0252338 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.6 CC(C)CNC(N)=S CS-0463955 [1,0,0,0,0,0|2,1,0]=4 10 B7R0.6 C[C@H](N)CCC(=O)O CS-0753666 [1,0,0,0,0,0|1,0,0]=2 11 B9R0.11 CC(N)(CC(=O)O)C(=O)O CS-0201902 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.23 COC(=O)[C@H](O)CC(C)C CS-0158522 [0,1,0,0,0,0|1,0,0]=2 13 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CS-0059140 [0,1,0,0,0,0|1,0,1]=3 14 B9R0.57 CC(OC(C)(C)C)C(=O)O CS-0234874 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O CS-0199586 [0,1,0,0,0,0|0,0,0]=1 16 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O CS-W016348 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.35 CC1CCC(C(=O)O)C1 CS-0217541 [0,0,0,1,0,0|1,0,0]=2 18 B9R1.35 CN1CCC(C(=O)O)C1 CS-0058763 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 CS-0035602 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 CS-0340668 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.35 O=C1COC(C(=O)O)C1 CS-0627494 [0,0,0,1,0,0|2,0,1]=4 22 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0031488 [0,0,0,0,1,0|1,0,0]=2 23 B9R0.7 CC(C)CC[C@H](N)C(=O)O CS-0154246 [0,0,0,0,0,1|0,0,0]=1 24 B9R0.7 NC(CCC(=O)O)C(=O)O CS-W022635 [0,0,0,0,0,1|2,0,1]=4 25 B6R0.1 COC[C@@H](N)CO CS-0201549 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.1 COC[C@H](N)CO CS-0201548 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.1 NC(CO)CCO CS-0091333 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.2 CC(C)C[N+](=O)[O-] CS-0252339 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.2 CC(N)CN(C)C CS-B1299 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.4 CC(C)CCCN CS-0252871 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.4 O=C(O)CCCF CS-0491783 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.3 CCC(Br)C(=O)O CS-W016049 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [2,0,0,0,0,0|1,0,0]=3 34 B8R0.24 CC(C)(C)C[C@@H](N)CO CS-0437163 [1,1,0,0,0,0|0,0,1]=3 35 B8R0.24 CC(C)(C)C[C@@H](N)CO CS-0499043 [1,1,0,0,0,0|0,0,1]=3 36 B8R0.34 CC(C)C[C@](C)(N)CO CS-0109916 [1,1,0,0,0,0|0,0,1]=3 37 B8R0.3 C=CCC(N)C(=O)OC CS-0158009 [1,1,0,0,0,0|0,0,2]=4 38 B8R0.3 COC(=O)[C@@H](O)CCN CS-0611326 [1,1,0,0,0,0|2,0,0]=4 39 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O CS-0447698 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.12 C=CC[C@@](C)(N)C(=O)O CS-0089885 [1,1,0,0,0,0|0,0,2]=4 41 B8R0.15 COC(CCN)C(=O)O CS-0344933 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.9 NC[C@@H](N)CCC(=O)O CS-0539323 [1,1,0,0,0,0|1,0,0]=3 43 B8R0.29 CC(C)(C)CCC(=O)O CS-0440906 [1,1,0,0,0,0|0,0,0]=2 44 B8R0.29 CC(C)(F)CCC(=O)O CS-0867883 [1,1,0,0,0,0|0,0,0]=2 45 B8R0.27 N[C@H](C(=O)O)C(F)(F)F CS-1177370 [0,1,0,0,1,0|2,0,0]=4 46 B8R0.27 [C@@H](O)(C(=O)O)C(C)(C)C CS-W005786 [0,1,0,0,1,0|1,0,0]=3 47 B8R0.37 CC(C)[C@](C)(N)C(=O)O CS-W013423 [0,1,0,0,1,0|0,0,0]=2 48 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O CS-0150133 [0,1,0,0,0,1|2,0,0]=4 49 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O CS-0111658 [0,1,0,0,0,1|2,0,0]=4 50 B10R0.37 COC(=O)C(N)CC(C)(C)C CS-0568362 [0,2,0,0,0,0|0,0,0]=2 51 B10R0.46 [C@H](N)(CC(=O)OC)C(=O)OC CS-W010556 [0,2,0,0,0,0|1,0,1]=4 52 B10R0.56 COC(=O)C(N)C(=O)C(C)C CS-0226768 [0,2,0,0,0,0|0,0,1]=3 53 B8R1.4 C[C@@H]1CCC[C@H](N)C1 CS-0309584 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.18 CC1CC(=O)C(C)O1 CS-0784607 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.5 CC1CCCCC1=O CS-W011265 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.5 O=C1NCCCC1Br CS-0072629 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.7 CC(=O)[C@@H]1CCCO1 CS-0444349 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.7 N=C(N)C1CCCN1 CS-WAA0204 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.54 O=C(O)[C@@H](O)C1CC1 CS-0501765 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.54 O=C(O)[C@H](O)C1CC1 CS-0747626 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.77 CC1(C)C[C@@H]1C(=O)O CS-W019469 [1,0,0,1,0,0|0,0,0]=2 62 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 CS-0138320 [0,0,0,1,0,1|1,0,0]=3 63 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 CS-0324362 [0,0,0,1,0,1|1,0,1]=4 64 B10R1.54 CC1CCC(CC(=O)O)C1 CS-0524638 [0,0,0,1,0,1|1,0,0]=3 65 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 66 B10R1.329 CC1CC(=O)CC(C)(C)C1 CS-0070744 [0,0,0,1,0,1|2,0,0]=4 67 B10R1.442 CC(C)CC1(C(=O)O)CC1 CS-0238716 [0,1,0,1,0,0|1,0,0]=3 68 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 CS-0112435 [0,1,0,1,0,0|1,0,0]=3 69 B10R1.33 CC1(C)CC(CO)C(=O)N1 CS-0343284 [0,1,0,1,0,0|2,0,0]=4 70 B10R1.424 COC(=O)[C@]1(C)C[C@H](N)C1 CS-0502230 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)O1 CS-0926353 [0,1,0,1,0,0|1,0,0]=3 72 B10R1.31 NC[C@@H]1CC[C@H](C(=O)O)O1 CS-0652804 [0,1,0,1,0,0|2,0,0]=4 73 B10R2.348 O=C(O)C12CC(CO1)C2 CS-0134179 [0,0,0,2,0,0|1,0,0]=3 74 B10R2.357 [C@@H]12C[C@H](C(=O)O)N[C@@H]1C2 CS-0053616 [0,0,0,2,0,0|0,0,0]=2 75 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 CS-0166608 [0,0,0,2,0,0|1,0,0]=3 76 B10R2.646 O=C(O)C1CC2(CC2)C1 CS-0056861 [0,0,0,2,0,0|1,0,0]=3 77 B10R2.636 O=C(O)C12CC(Cl)(C1)C2 CS-0078775 [0,0,0,2,0,0|2,0,0]=4 78 B8R0.28 CN(C)C\C=C/C(=O)O CS-0164231 [1,0,0,0,0,1|1,0,1]=4