0 B13R1.61 COC(=O)CCC1=CC=C(C=O)S1 C92138 [0,1,0,0,0,0|1,1,1]=4 1 B13R2.4 O=CC1=CC=C(C2OCCO2)O1 T70128 [0,0,0,1,0,0|2,0,0]=3 2 B13R1.371 CCCCNC1=NC=C(C=O)C=C1 FD10600 [0,0,0,0,0,1|2,0,0]=3 3 B13R1.666 CCCCOC1=CC=CC(C=O)=C1 S11902 [0,0,0,0,0,1|2,0,0]=3 4 B13R1.666 O=CC1=CC=CC(OCCCBr)=C1 AC4295 [0,0,0,0,0,1|3,0,0]=4 5 B10R0.4 CCCCCC\C=C\C(=O)O A11728 [1,0,1,0,0,0|0,0,1]=3 6 B10R0.91 CCCCC[C@H](O)\C=C\C=O AC8369 [1,0,1,0,0,0|0,0,1]=3 7 B10R1.21 OCCNCC1=CC=CO1 F16080 [2,0,0,0,0,0|2,0,0]=4 8 B10R1.96 CCCN1C=CC(C=O)=N1 AT14222 [2,0,0,0,0,0|2,0,0]=4 9 B10R1.96 CCOC1=CC=C(C=O)O1 AT17093 [2,0,0,0,0,0|1,0,0]=3 10 B10R1.96 COCC1=CC=C(C=O)S1 AT26622 [2,0,0,0,0,0|1,1,0]=4 11 B10R1.96 O=CC1=CC=C(CCO)S1 F19778 [2,0,0,0,0,0|1,1,0]=4 12 B12R1.29 CCCC[C@H](N)C1=CC=C(C)O1 N16753 [1,1,0,0,0,0|0,0,1]=3 13 B12R1.29 CCCC[C@H](N)C1=CC=C(C)O1 N16754 [1,1,0,0,0,0|0,0,1]=3 14 B12R1.29 CCCC[C@H](N)C1=CC=C(C)O1 N16755 [1,1,0,0,0,0|0,0,1]=3 15 B12R1.337 CCCCC1=NC(C(=O)O)=CO1 AC2960 [1,1,0,0,0,0|2,0,0]=4 16 B12R1.28 CCCCCC1=CC=CC(=O)O1 T70705 [0,0,1,1,0,0|0,0,0]=2 17 B12R2.32 O=CC1=CC2=C(CCCC2)S1 D73370 [1,0,0,1,0,0|0,1,0]=3 18 B12R2.2094 O=CC1=CN=C(C2CCC2)S1 91739 [1,0,0,1,0,0|1,1,0]=4 19 B12R2.2094 O=CC1=NN(C2CCC2)C=C1 AT14228 [1,0,0,1,0,0|2,0,0]=4 20 B14R2.53 O=C(O)C1=CC=C(C2CCCC2)N1 D80551 [0,1,0,1,0,0|1,0,0]=3 21 B14R2.31338 O=C(O)C1=CC2=C(CCCCC2)S1 F19643 [0,1,0,1,0,0|0,1,0]=3