0 B8R0.28 CC(=O)CCC=C(C)C CS-W011151 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.28 CN(C)C\C=C\C(=O)O CS-D1794 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 C(CCC)=CC(=O)O CS-W011247 [1,0,0,0,0,0|0,0,2]=3 4 B7R0.4 CC(O)CNCCO CS-M0804 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.4 CCCCCB(O)O CS-W018820 [1,0,0,0,0,0|1,0,1]=3 6 B9R0.7 NC(CCC(=O)O)C(=O)O CS-W022635 [0,1,0,0,0,0|2,0,1]=4 7 B9R1.35 O=C(O)C1CCC(O)=N1 CS-W013454 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.35 O=C1CC[C@H](C(=O)O)O1 CS-W021140 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.66 CC1(C)CC(=O)CCO1 CS-D0378 [0,0,0,1,0,0|2,0,0]=3 10 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [0,0,0,0,1,0|2,0,1]=4 11 B7R0.6 CN(C)CCC(=O)O CS-W007826 [0,0,0,0,1,0|1,0,0]=2 12 B7R0.6 NC(=O)CCC(=O)O CS-0094544 [0,0,0,0,1,0|2,0,1]=4 13 B6R0.4 CC(=O)CCCCl CS-W013569 [2,0,0,0,0,0|2,0,0]=4 14 B6R0.4 CC(C)OCCBr CS-W018660 [2,0,0,0,0,0|2,0,0]=4 15 B6R0.4 CCCOC(N)=O CS-W019060 [2,0,0,0,0,0|2,0,0]=4 16 B6R0.4 CN(C)CCCCl CS-W019575 [2,0,0,0,0,0|2,0,0]=4 17 B6R0.4 CNCCC(C)C CS-0039334 [2,0,0,0,0,0|1,0,1]=4 18 B6R0.4 COCCC(=O)O CS-W009112 [2,0,0,0,0,0|1,0,0]=3 19 B6R0.6 C=CCCCCBr CS-W008939 [2,0,0,0,0,0|2,0,0]=4 20 B8R0.7 C#CCCCCC(=O)O CS-0020150 [1,1,0,0,0,0|0,0,1]=3 21 B8R0.7 CN(C)CCOCCO CS-W011078 [1,1,0,0,0,0|1,0,1]=4 22 B8R0.7 O=C(O)CCCCCBr CS-W007559 [1,1,0,0,0,0|0,0,0]=2 23 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [1,1,0,0,0,0|0,0,0]=2 24 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [1,1,0,0,0,0|1,0,1]=4 25 B8R0.23 CC(C)CC(Br)C(=O)O CS-W021616 [0,1,0,0,1,0|0,0,0]=2 26 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,1,0,0,1,0|0,0,0]=2 27 B8R0.29 O=C(O)CCC(F)(F)F CS-W007460 [0,1,0,0,1,0|2,0,0]=4 28 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O CS-W010872 [0,2,0,0,0,0|1,0,0]=3 29 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.4 CC1CCCC(N)C1 CS-D0430 [1,0,0,1,0,0|1,0,1]=4 31 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [1,0,0,1,0,0|1,0,1]=4 32 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [1,0,0,1,0,0|1,0,0]=3 33 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [1,0,0,1,0,0|0,0,0]=2 36 B8R1.22 O=C1C=CCCCC1 CS-W007594 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,0,0,1,1,0|2,0,0]=4 38 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,0,0,1,1,0|2,0,0]=4 39 B8R1.23 O=C1CC(C(=O)O)C1 CS-D1519 [0,0,0,1,1,0|1,0,1]=4 40 B10R1.113 CC1CCCC(C(=O)O)N1 CS-0039203 [0,0,0,1,0,1|1,0,0]=3 41 B10R1.113 O=C1CC(C(=O)O)CCN1 CS-W006096 [0,0,0,1,0,1|1,0,1]=4 42 B10R1.13 CC(C)N1CCC(=O)CC1 CS-0028222 [0,1,0,1,0,0|2,0,0]=4 43 B10R1.13 CN1CCC(C(=O)O)CC1 CS-W004085 [0,1,0,1,0,0|1,0,0]=3 44 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 CS-0035994 [0,1,0,1,0,0|0,0,0]=2 45 B10R1.13 O=C1CCC(C(=O)O)CC1 CS-W004786 [0,1,0,1,0,0|1,0,1]=4 46 B10R1.329 CC1(C)CC(=O)CC(=O)C1 CS-W016456 [0,1,0,1,0,0|1,0,1]=4 47 B10R1.329 CC1(C)OC(=O)CC(=O)O1 CS-D1154 [0,1,0,1,0,0|1,0,1]=4 48 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,0,0,0,2,0|1,0,0]=3 49 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,0,0,0,2,0|1,0,0]=3