0 B13R1.45 CC(C)=NOC(=O)C1=CC=CC=C1 SY102616 [1,0,0,0,0,0|1,0,1]=3 1 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 SY025980 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.45 CC(O)CNC(=O)C1=CC=CC=C1 SY016204 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.674 O=C(OCCO)C1=CC=CC=C1O SY032913 [1,0,0,0,0,0|2,0,0]=3 4 B15R1.86 CNC1=CC=CC=C1C(=O)OCC(C)C SY022057 [0,1,0,0,0,0|0,0,0]=1 5 B15R1.5822 CC(O)CNC(=O)C1=CC=C(Cl)C=C1Cl SY017149 [0,1,0,0,0,0|3,0,0]=4 6 B15R2.308 CC1CCN(C2=CC=CC=C2N)CC1 SY237452 [0,0,0,1,0,0|3,0,0]=4 7 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SY013718 [2,0,0,0,0,0|1,0,0]=3 8 B12R1.30 CCCOC(=O)C1=CN=CC=C1 SY273653 [2,0,0,0,0,0|1,0,0]=3 9 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 SY042617 [2,0,0,0,0,0|1,0,0]=3 10 B12R1.252 CC(O)COCC1=CC=CC=C1 SY115719 [2,0,0,0,0,0|1,0,1]=4 11 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 SY226247 [2,0,0,0,0,0|1,0,1]=4 12 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 SY059957 [2,0,0,0,0,0|1,0,1]=4 13 B12R1.308 CCOC(=N)C1=CC=CC=C1F SY129446 [2,0,0,0,0,0|2,0,0]=4 14 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 SY005168 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 SY003267 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.308 CCOC(=O)C1=C(N)C=CC=N1 SY005551 [2,0,0,0,0,0|1,0,0]=3 17 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 SY007491 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.308 CCOC(=O)C1=CC=CC=C1Br SY004041 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl SY048209 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.308 CCOC(=O)C1=CC=CC=C1I SY037880 [2,0,0,0,0,0|1,0,0]=3 21 B12R1.308 CCOC(=O)C1=CC=CN=C1C SY004406 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.308 CCOC(=O)C1=CC=CN=C1N SY007228 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.308 CCOC(=O)C1=CC=NN=C1N SY011639 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl SY036078 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.308 CCOC(=O)C1=CN=CN=C1N SY015021 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.308 CCOC(=O)C1=NC=CC=C1Br SY025917 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.308 CCOC(=O)C1=NC=CC=C1C SY013318 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.308 CCOC(=O)C1=NC=CC=C1Cl SY253689 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.308 CCOC(=O)C1=NC=CC=C1F SY014737 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.308 CCOC(=O)C1=NC=CC=C1O SY047825 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.308 O=C(CCCl)C1=CC=CC=C1F SY096664 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.308 O=C(CCCl)C1=CC=CC=C1O SY046373 [2,0,0,0,0,0|2,0,0]=4 33 B14R1.678 CC1=CC=C(C(=O)CCN(C)C)C=C1 SY004002 [1,1,0,0,0,0|2,0,0]=4 34 B14R1.678 CN(C)CCC(=O)C1=CC=C(Cl)C=C1 SY003981 [1,1,0,0,0,0|2,0,0]=4 35 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 SY288308 [1,1,0,0,0,0|2,0,0]=4 36 B14R2.29285 CC1(C)CCC(=O)C2=C1C=CC=C2 SY042790 [1,0,0,1,0,0|1,0,0]=3 37 B14R2.2 CN(C)CC1=CNC2=C1C=CC=C2 SY005107 [0,0,0,1,1,0|2,0,0]=4 38 B14R2.29496 CC1(C)CC(=O)C2=C(C=CC=C2)O1 SY060985 [0,0,0,1,1,0|1,0,0]=3 39 B14R2.29496 CC1=CC(C)(C)NC2=C1C=CC=C2 SY029873 [0,0,0,1,1,0|1,0,1]=4 40 B16R2.25802 CC1(C)COC(C2=C(F)C=CC=C2F)=N1 SY248606 [0,1,0,1,0,0|2,0,0]=4 41 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SY011141 [1,0,0,0,1,0|1,0,1]=4 42 B12R1.124 CC(Br)C(=O)C1=C(Cl)C=CC=C1 SY031882 [0,0,0,0,2,0|2,0,0]=4 43 B12R1.124 CN(C)C(=O)C1=CC=CC=C1S SY253093 [0,0,0,0,2,0|2,0,0]=4 44 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 SY043362 [1,0,0,0,0,1|1,0,0]=3