0 B15R1.889 CC(C)NCC(C1=CC(=C(C=C1)O)O)O I129810 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.889 CC(C)NCC(C1=CC(=C(C=C1)O)O)O I157589 [0,0,0,0,0,0|0,0,0]=0 2 B15R1.889 CC(C)NCC(C1=CC(=C(C=C1)O)O)O I423081 [0,0,0,0,0,0|0,0,0]=0 3 B15R1.889 CC(C)NCC(O)C1=CC=C(O)C(=C1)O I409121 [0,0,0,0,0,0|0,0,0]=0 4 B14R1.678 CC(C)NCC(C1=CC=C(C=C1)O)O D332770 [1,0,0,0,0,0|0,0,0]=1 5 B14R1.687 CC(=O)OCCC1=CC(=C(C=C1)O)O H344401 [1,0,0,0,0,0|2,0,1]=4 6 B14R1.687 CC(=O)OCCC1=CC(=C(C=C1)O)O H425538 [1,0,0,0,0,0|2,0,1]=4 7 B16R1.52957 CC(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O C135828 [0,1,0,0,0,0|2,0,0]=3 8 B16R1.52957 CC(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O C140640 [0,1,0,0,0,0|2,0,0]=3 9 B14R1.685 CN(C)CC(C1=CC(=C(C=C1)O)O)O R339890 [0,0,0,0,1,0|1,0,0]=2 10 B13R1.466 CNCC(=O)C1=CC(=C(C=C1)O)O A129906 [2,0,0,0,0,0|0,0,2]=4 11 B13R1.466 CNCC(=O)C1=CC(=C(O)C=C1)O A408863 [2,0,0,0,0,0|0,0,2]=4 12 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O D274858 [2,0,0,0,0,0|0,0,0]=2 13 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O E113174 [2,0,0,0,0,0|0,0,0]=2 14 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O E129809 [2,0,0,0,0,0|0,0,0]=2 15 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G108394 [2,0,0,0,0,0|0,0,0]=2 16 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G108395 [2,0,0,0,0,0|0,0,0]=2 17 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G108396 [2,0,0,0,0,0|0,0,0]=2 18 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G108397 [2,0,0,0,0,0|0,0,0]=2 19 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G108398 [2,0,0,0,0,0|0,0,0]=2 20 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G274269 [2,0,0,0,0,0|0,0,0]=2 21 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O L137183 [2,0,0,0,0,0|0,0,0]=2 22 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O L303968 [2,0,0,0,0,0|0,0,0]=2 23 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O L424712 [2,0,0,0,0,0|0,0,0]=2 24 B13R1.466 CNCC(O)C1=CC(=C(O)C=C1)O E408820 [2,0,0,0,0,0|0,0,0]=2 25 B13R1.466 CNCC(O)C1=CC(=C(O)C=C1)O L408183 [2,0,0,0,0,0|0,0,0]=2 26 B15R1.5450 CC(C)NCC(C1=CC(=CC(=C1)O)O)O M135206 [1,1,0,0,0,0|0,0,0]=2 27 B17R1.2672 CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C I332026 [0,2,0,0,0,0|0,0,0]=2 28 B17R1.5286 CC(C)(C)NCC(C1=CC(=C(C=C1)N)C#N)O C136659 [0,2,0,0,0,0|2,0,0]=4 29 B17R1.5286 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O B301272 [0,2,0,0,0,0|0,0,0]=2 30 B17R1.5286 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O L412848 [0,2,0,0,0,0|0,0,0]=2 31 B17R1.5286 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O L425329 [0,2,0,0,0,0|0,0,0]=2 32 B17R1.5286 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O S111969 [0,2,0,0,0,0|0,0,0]=2 33 B17R1.5286 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O S299212 [0,2,0,0,0,0|0,0,0]=2 34 B17R1.5286 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O S422272 [0,2,0,0,0,0|0,0,0]=2 35 B17R1.5286 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O S424389 [0,2,0,0,0,0|0,0,0]=2 36 B17R1.304823 CC(C)(C)NCC(C1=CC(=C(C(=C1)Br)N)Br)O B114249 [0,2,0,0,0,0|2,0,0]=4 37 B17R1.304823 CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O C113894 [0,2,0,0,0,0|2,0,0]=4 38 B17R1.304823 CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O C140536 [0,2,0,0,0,0|2,0,0]=4 39 B17R1.304823 CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O C266104 [0,2,0,0,0,0|2,0,0]=4 40 B15R2.3 CC1CCC(CC1)C2=CC=C(C=C2)O M399728 [1,0,0,1,0,0|2,0,0]=4 41 B13R1.510 CC(C)C(=O)C1=CC(=C(C=C1)O)O U344159 [0,0,0,0,2,0|0,0,2]=4