0 B7R0.4 C#CCCCC(=O)O CS-W009272 [1,0,0,0,0,0|0,0,2]=3 1 B7R0.4 C#CCOCC(=O)O CS-0070099 [1,0,0,0,0,0|1,0,2]=4 2 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.4 O=C([O-])CCCCO CS-0047732 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.7 C[C@H](CCC(=O)O)C(=O)O CS-0063209 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 CS-0101206 [0,0,0,1,0,0|0,0,0]=1 7 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-0101213 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CS-M0679 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-0020162 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-W003511 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.69 O=C1CCC(Br)C(=O)N1 CS-0091177 [0,0,0,1,0,0|3,0,0]=4 12 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [0,0,0,0,1,0|2,0,1]=4 13 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [0,0,0,0,1,0|2,0,1]=4 14 B6R0.4 C#CCCC(=O)O CS-W008784 [2,0,0,0,0,0|0,0,2]=4 15 B6R0.4 C=CCCC(=O)O CS-W009138 [2,0,0,0,0,0|0,0,0]=2 16 B6R0.4 CC(=O)NCCN CS-W013694 [2,0,0,0,0,0|2,0,0]=4 17 B6R0.4 CCOCC(=O)O CS-0071579 [2,0,0,0,0,0|1,0,1]=4 18 B6R0.4 N#CCCC(=O)O CS-W018565 [2,0,0,0,0,0|0,0,2]=4 19 B6R0.4 O=C(O)CCCBr CS-W016047 [2,0,0,0,0,0|1,0,0]=3 20 B6R0.6 C=CCCCCO CS-W013711 [2,0,0,0,0,0|0,0,1]=3 21 B8R0.8 C=CCC[C@H](N)C(=O)O CS-0100618 [1,1,0,0,0,0|2,0,0]=4 22 B8R0.7 C=CCCCCC(=O)O CS-0097711 [1,1,0,0,0,0|0,0,0]=2 23 B8R0.7 COCCOCC(=O)O CS-0084611 [1,1,0,0,0,0|1,0,1]=4 24 B8R0.7 O=C(O)CCCCCCl CS-W018132 [1,1,0,0,0,0|0,0,2]=4 25 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [1,1,0,0,0,0|1,0,1]=4 26 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CS-W016142 [0,1,0,0,0,1|1,0,0]=3 27 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [1,0,0,1,0,0|1,0,1]=4 29 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [1,0,0,1,0,0|1,0,1]=4 30 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [1,0,0,1,0,0|0,0,2]=4 32 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [1,0,0,1,0,0|1,0,1]=4 35 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [1,0,0,1,0,0|0,0,2]=4 36 B8R1.23 O=C(O)C1CC(O)C1 CS-W019144 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.23 [C@H]1(O)C[C@@H](C(=O)O)C1 CS-W005391 [1,0,0,1,0,0|1,0,1]=4 38 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W016417 [0,1,0,1,0,0|0,0,2]=4 39 B6R0.3 C=CC(C)C(=O)O CS-0006592 [0,0,0,0,2,0|1,0,0]=3 40 B6R0.3 CCC(N)C(=O)O CS-W011306 [0,0,0,0,2,0|0,0,2]=4 41 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [0,0,0,0,2,0|0,0,2]=4 42 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [0,0,0,0,2,0|1,0,1]=4 43 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [0,0,0,0,2,0|1,0,1]=4 44 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [0,0,0,0,2,0|1,0,1]=4 45 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [0,0,0,0,2,0|1,0,1]=4