0 B10R0.97 C(CNCCC(=O)O)C(=O)O PI-34834 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.97 OC(=O)CCCCCC(=O)O PI-10808 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.2 BrCCCCCCC(=O)O PI-36573 [1,0,0,0,0,0|2,0,1]=4 3 B9R0.2 NCCCCCCC(=O)O PI-11340 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.2 O=C(O)CCCCCCO PI-37225 [1,0,0,0,0,0|1,0,1]=3 5 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N PI-42602 [0,1,0,0,0,0|3,0,0]=4 6 B11R0.29 C(CC[N+](=O)[O-])CC(C(=O)O)N PI-42507 [0,1,0,0,0,0|2,0,1]=4 7 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O PI-31172 [0,1,0,0,0,0|3,0,0]=4 8 B11R0.29 OC(=O)CCCCC(N)C(=O)O PI-27809 [0,1,0,0,0,0|1,0,0]=2 9 B11R0.85 S=C(SCC(=O)O)SCC(=O)O PI-10935 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.178 C1CC(C(C1)C(=O)O)C(=O)O PI-39041 [0,0,0,1,0,0|1,0,0]=2 11 B11R1.178 CC(=O)N1CCCC1C(=O)O PI-14252 [0,0,0,1,0,0|3,0,0]=4 12 B11R1.178 CC(=O)N1CSCC1C(=O)O PI-10788 [0,0,0,1,0,0|2,0,0]=3 13 B11R1.178 O=C(C1N(C(C)=O)CCC1)O PI-29050 [0,0,0,1,0,0|3,0,0]=4 14 B11R1.708 C1C(C(N1)C(=O)O)CC(=O)O PI-25277 [0,0,0,1,0,0|2,0,0]=3 15 B9R0.55 CC(=O)NCCCC(=O)O PI-26540 [0,0,0,0,1,0|2,0,0]=3 16 B11R0.30 C(CCCC(=O)Cl)CCC(=O)Cl PI-46867 [0,0,0,0,0,1|3,0,0]=4 17 B11R0.30 C(COCC(=O)O)OCC(=O)O PI-48255 [0,0,0,0,0,1|2,0,0]=3 18 B11R0.30 O=C(O)CCCCCCC(O)=O PI-37274 [0,0,0,0,0,1|1,0,0]=2 19 B8R0.7 BrCCCCCC(=O)O PI-26630 [2,0,0,0,0,0|1,0,1]=4 20 B8R0.7 O=C(O)CCCCCN PI-41159 [2,0,0,0,0,0|1,0,1]=4 21 B10R0.4 C(CCCC(=O)O)CCCO PI-20834 [1,1,0,0,0,0|1,0,1]=4 22 B10R0.75 C(CO)CSCC(C(=O)O)N PI-18144 [1,1,0,0,0,0|0,0,1]=3 23 B10R0.96 C(CC(=O)O)C(CC(=O)O)N PI-43828 [0,1,0,0,1,0|0,0,0]=2 24 B10R0.98 C(CC(C(=O)O)N)CC(=O)O PI-17860 [0,1,0,0,1,0|0,0,0]=2 25 B10R0.98 O=C(O)C(CCCC(O)=O)=O PI-40489 [0,1,0,0,1,0|0,0,1]=3 26 B10R0.98 OC(=O)CCC[C@@H](C(=O)O)N PI-27075 [0,1,0,0,1,0|0,0,0]=2 27 B10R0.98 OC(=O)CCC[C@H](C(=O)O)N PI-14324 [0,1,0,0,1,0|0,0,0]=2 28 B10R0.98 OC(=O)CSC[C@@H](C(=O)O)N PI-12973 [0,1,0,0,1,0|0,0,0]=2 29 B12R0.42 C(CCC(C(=O)O)N)CCC(=O)O PI-17859 [0,1,0,0,0,1|1,0,0]=3 30 B12R0.184 C=CC(=O)NCCCCCC(=O)O PI-46861 [0,1,0,0,0,1|2,0,0]=4 31 B12R0.184 CC(=O)OCCCCCC(=O)OC PI-26044 [0,1,0,0,0,1|2,0,0]=4 32 B12R0.184 O=C(OC)CCCCCCC(O)=O PI-37232 [0,1,0,0,0,1|1,0,0]=3 33 B12R0.183 COC(=O)CCCCCC(=O)OC PI-47199 [0,2,0,0,0,0|1,0,0]=3 34 B10R1.113 C1CC(NC(=O)C1)C(=O)O PI-25461 [0,0,0,1,1,0|1,0,0]=3 35 B10R1.113 O=C1CCCC(N1)C(=O)O PI-25511 [0,0,0,1,1,0|1,0,0]=3 36 B10R1.361 C1C[C@H]([C@@H]1C(=O)O)C(=O)O PI-48856 [0,0,0,1,1,0|0,0,0]=2 37 B10R1.361 O=C([C@H]1[C@@H](C(O)=O)CC1)O PI-41496 [0,0,0,1,1,0|0,0,0]=2 38 B12R1.261 C1CC(C(NC1)C(=O)O)C(=O)O PI-48735 [0,0,0,1,0,1|1,0,0]=3 39 B12R1.261 C1CCC(C(C1)C(=O)O)C(=O)O PI-30641 [0,0,0,1,0,1|1,0,0]=3 40 B12R1.261 OC(=O)[C@@H]1CCCC[C@H]1C(=O)O PI-17987 [0,0,0,1,0,1|1,0,0]=3 41 B12R1.261 OC(=O)[C@H]1CCCC[C@@H]1C(=O)O PI-35939 [0,0,0,1,0,1|1,0,0]=3 42 B12R1.1388 C1CC(C(C1)(C(=O)O)N)C(=O)O PI-17129 [0,1,0,1,0,0|1,0,0]=3 43 B12R1.850 C1C(C(CC1=O)C(=O)O)C(=O)O PI-34613 [0,1,0,1,0,0|1,0,0]=3 44 B12R2.2456 C1CC(C2C1CC2=O)C(=O)O PI-34775 [0,0,0,2,0,0|2,0,0]=4 45 B8R0.28 C(C(=O)N)SCC(=O)N PI-29144 [0,0,0,0,2,0|2,0,0]=4 46 B8R0.28 C(CC(=O)Cl)CC(=O)Cl PI-46857 [0,0,0,0,2,0|2,0,0]=4 47 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [0,0,0,0,2,0|2,0,0]=4 48 B8R0.28 CC(=O)NCCC(=O)O PI-26539 [0,0,0,0,2,0|2,0,0]=4