0 B7R0.2 CCC(=O)CC(C)=O F8880-5203 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.2 CNC(=O)CC(C)=O F0001-0716 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.2 COC(=O)CC(C)=O F0001-0105 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 COC(C)CCO F0001-0848 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.2 CC(C)CC(N)=O F1995-0350 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.4 C#CCCC(=O)O F1913-1832 [1,0,0,0,0,0|0,0,2]=3 6 B6R0.4 CCCCB(O)O F0001-1206 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.4 CSCCC(C)=O F0001-0996 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.4 N#CCCC(=O)O F8884-9159 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.4 NC(=O)NCCO F1019-0075 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.5 CCOC(=O)CC(=O)Cl F0001-1038 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.23 CC(C)C(N)CC(=O)O F0913-5477 [0,1,0,0,0,0|1,0,0]=2 12 B8R0.23 NC(CC(=O)O)C(=O)O F2191-0170 [0,1,0,0,0,0|2,0,1]=4 13 B8R1.1 O=C1CC[C@H](CO)N1 F9995-1839 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.4 NC1CCCC(O)C1 F2147-2237 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.34 O=C(O)CC1CCC1 F8889-2823 [0,0,0,1,0,0|0,0,0]=1 16 B6R0.3 N[C@@H](CS)C(=O)O F8880-8973 [0,0,0,0,1,0|2,0,0]=3 17 B8R0.9 COC(=O)CCC(=O)O F1107-0326 [0,0,0,0,0,1|2,0,1]=4 18 B5R0.1 CC(C)CC#N F0001-1677 [2,0,0,0,0,0|1,0,1]=4 19 B5R0.2 CCCCC#N F0001-0220 [2,0,0,0,0,0|1,0,1]=4 20 B5R0.2 CCCCC=O F2190-0583 [2,0,0,0,0,0|0,0,0]=2 21 B5R0.2 CCCCCO F0001-1831 [2,0,0,0,0,0|0,0,1]=3 22 B5R0.2 CCCCNN F2169-0384 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.11 COC(C)(C)CCO F0001-1482 [1,1,0,0,0,0|1,0,1]=4 24 B7R0.9 CC(=O)CC(C)(C)O F0001-0366 [1,1,0,0,0,0|1,0,0]=3 25 B7R0.4 C=CCCCC(=O)O F1913-3310 [1,1,0,0,0,0|0,0,1]=3 26 B7R0.4 CCCCCB(O)O F0001-1263 [1,1,0,0,0,0|1,0,1]=4 27 B7R0.4 CCCCCC(=O)Cl F0001-0498 [1,1,0,0,0,0|1,0,0]=3 28 B7R0.6 CC(C)SCC(=O)O F3249-0157 [1,1,0,0,0,0|1,0,0]=3 29 B7R0.13 COC(C)(C)C(=O)O F8888-1332 [0,1,0,0,1,0|1,0,0]=3 30 B7R0.15 CCC(CC)C(=O)Cl F2190-0017 [0,1,0,0,1,0|1,0,0]=3 31 B7R0.15 CCN(CC)C(=O)Cl F0001-2185 [0,1,0,0,1,0|2,0,0]=4 32 B9R0.34 CCOC(=O)CC(=O)CC F8889-9376 [0,2,0,0,0,0|1,0,1]=4 33 B9R0.10 CN(CC(=O)O)S(C)(=O)=O F2135-0519 [0,2,0,0,0,0|2,0,0]=4 34 B7R1.2 O=C1CCC(=O)C1 F0001-1098 [1,0,0,1,0,0|1,0,1]=4 35 B7R1.3 NC1CCOCC1 F0001-1086 [1,0,0,1,0,0|1,0,1]=4 36 B7R1.6 CNCC1CCC1 F2148-2252 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.10 O=C1CC(CBr)C1 F2147-4325 [1,0,0,1,0,0|1,0,0]=3 38 B7R1.18 CC(=O)C1CCC1 F0001-0928 [1,0,0,1,0,0|1,0,0]=3 39 B7R1.18 NC(=O)C1CCC1 F1913-0022 [1,0,0,1,0,0|1,0,0]=3 40 B7R1.18 NC(=O)C1CNC1 F2158-1524 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.19 O=C(O)C1(F)CC1 F1913-1545 [0,0,0,1,1,0|1,0,0]=3 42 B9R1.35 CN1CCC(C(=O)O)C1 F0001-1164 [0,0,0,1,0,1|1,0,0]=3 43 B9R1.35 O=C1CC[C@H](C(=O)O)N1 F0001-2478 [0,0,0,1,0,1|1,0,1]=4 44 B9R1.110 NC(C(=O)O)C1CCC1 F8887-4032 [0,1,0,1,0,0|0,0,0]=2 45 B9R1.13 CC(=O)NC1CCNC1 F2158-0957 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.13 O=C(O)CC1CCNC1 F2197-0065 [0,1,0,1,0,0|0,0,0]=2 47 B5R0.5 CC(F)C(=O)O F2147-5479 [1,0,0,0,1,0|1,0,0]=3