0 B12R1.16 CCCC(N)C1=CC=C(Cl)C=C1 F2167-1914 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.16 CCCC(N)C1=CC=C(F)C=C1 F2167-1928 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.16 CCNC(=O)C1=NNC(=O)C=C1 F2799-0171 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.16 CCOC(=O)C1=CC=C(S)N=N1 F1967-0659 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.16 CCOC(=O)C1=NC=C(C)C=N1 F1903-9871 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.1 NC1=CC=C(C#CCO)C=C1 F2167-5514 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.1 NCC#CC1=CC=C(N)C=C1 F2167-5629 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.16 NCCC(=O)C1=CC=CC=C1 F8886-7384 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.452 C#CC1=NC=C(C(=O)OCC)C=N1 F2197-7980 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.452 CCOC(=O)C1=NC=C(CC)C=N1 F1903-9868 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.1511 CCOC(=O)C1=CNC(=O)NC1=S F1967-6733 [0,1,0,0,0,0|3,0,0]=4 11 B13R2.2986 NC1=CC=C(C2(F)CCC2)C=C1 F1913-7445 [0,0,0,1,0,0|2,0,1]=4 12 B13R2.2986 NC1=CC=C(C2(F)CCC2)C=C1 F2147-8315 [0,0,0,1,0,0|2,0,1]=4 13 B13R2.2986 NC1=CC=C(C2(O)CCC2)C=C1 F1913-7129 [0,0,0,1,0,0|1,0,2]=4 14 B13R2.5179 NC1=CC=C2C(=O)OCCC2=C1 F1913-1641 [0,0,0,1,0,0|0,0,0]=1 15 B11R1.15 CCOC(=O)C1=CC=C(N)S1 F2163-0146 [0,0,0,0,1,0|1,0,0]=2 16 B11R1.15 CCOC(=O)C1=NOC(I)=C1 F2147-8094 [0,0,0,0,1,0|3,0,0]=4 17 B12R1.1 COCC#CC1=CC=C(N)C=C1 F2167-5755 [1,1,0,0,0,0|1,0,1]=4 18 B12R1.1 NC1=CC=C(C#CCCO)C=C1 F2167-6251 [1,1,0,0,0,0|1,0,1]=4 19 B12R1.21 CC(O)C#CC1=CC=C(N)C=C1 F2167-6371 [1,1,0,0,0,0|1,0,1]=4 20 B12R1.17 CCOC(=O)C1=CC(C)=NN=C1 F1967-2908 [1,1,0,0,0,0|2,0,0]=4 21 B12R1.17 CCOC(=O)C1=NC(C)=CN=C1 F1903-9805 [1,1,0,0,0,0|2,0,0]=4 22 B12R1.17 CCOC(=O)C1=NC=NC(C)=C1 F1967-8331 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.308 CCOC(=O)C1=C(F)C=NC=N1 F1903-9824 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.312 CCOC(=O)C1=COC(C=O)=C1 F8887-7494 [0,1,0,0,1,0|2,0,0]=4 25 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(N)N=C1 F2147-2094 [0,2,0,0,0,0|1,0,0]=3 26 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(N)N=N1 F2147-4222 [0,2,0,0,0,0|2,0,0]=4 27 B14R1.610 CCOC(=O)C1=CC=C(C(C)N)C=C1 F1911-5515 [0,2,0,0,0,0|0,0,0]=2 28 B14R1.610 CCOC(=O)C1=CC=C([C@@H](C)N)C=C1 F1911-5520 [0,2,0,0,0,0|0,0,0]=2 29 B14R1.610 CCOC(=O)C1=NN=C(N(C)C)C=C1 F1967-5326 [0,2,0,0,0,0|2,0,0]=4 30 B14R1.7234 CCOC(=O)C1=CC=C(C#N)C=C1Cl F1904-6333 [0,2,0,0,0,0|0,0,1]=3 31 B14R1.7265 CCOC(=O)C1=CNC(=O)C(N)=C1O F2167-2795 [0,2,0,0,0,0|2,0,0]=4 32 B12R2.24 NC1=CC2=C(C=C1)OCCC2 F8880-3780 [1,0,0,1,0,0|2,0,0]=4 33 B12R2.24 NC1=CC=C2CNCCC2=C1 F1913-1628 [1,0,0,1,0,0|1,0,1]=4 34 B12R2.24 NC1=CC=C2COCCC2=C1 F2147-2750 [1,0,0,1,0,0|0,0,1]=3 35 B12R2.24 NC1=CC=C2CSCCC2=C1 F2147-2749 [1,0,0,1,0,0|0,1,1]=4 36 B12R2.2302 NC1=CC=C(C2CCC2)C=C1 F8887-6868 [1,0,0,1,0,0|1,0,1]=4 37 B14R2.926 O=C1CCCC1C2=CC=C(F)C=C2 F8880-3030 [0,0,0,1,0,1|2,0,0]=4 38 B14R2.68 NC1=CC=C(C2=CCNCC2)C=C1 F1913-5699 [0,1,0,1,0,0|2,0,0]=4 39 B14R2.68 NC1=CC=C(C2COCCO2)C=C1 F2147-3189 [0,1,0,1,0,0|0,0,2]=4 40 B14R2.10606 O=C(C1=CC=C(Cl)C=C1)C2CNC2 F2167-2538 [0,1,0,1,0,0|2,0,0]=4 41 B14R2.10606 O=C(C1=CC=C(F)C=C1)C2CNC2 F2167-2537 [0,1,0,1,0,0|2,0,0]=4 42 B14R2.1 NCC1=CC=C(C2CCCO2)C=C1 F2167-2590 [0,1,0,1,0,0|1,0,1]=4 43 B14R2.8038 O=C1CCCC2=C(Br)C(Cl)=CC=C12 F1909-1764 [0,1,0,1,0,0|2,0,0]=4 44 B14R2.8038 O=C1CCCC2=C1C=CC(Cl)=C2I F1909-1763 [0,1,0,1,0,0|2,0,0]=4 45 B14R1.502 CCOC(=O)C#CC1=CC=C(N)C=C1 F2167-6725 [0,0,0,0,0,2|0,0,0]=2 46 B14R1.502 CCOC(=O)C#CC1=CC=C(N)C=N1 F2167-6625 [0,0,0,0,0,2|1,0,0]=3 47 B14R1.502 CCOC(=O)C#CC1=CC=C(N)N=N1 F2167-6688 [0,0,0,0,0,2|2,0,0]=4 48 B14R1.502 CCOC(=O)C#CC1=CN=C(N)C=C1 F2167-6617 [0,0,0,0,0,2|1,0,0]=3 49 B14R1.502 CCOC(=O)C#CC1=NC=C(C)C=C1 F2167-6637 [0,0,0,0,0,2|2,0,0]=4 50 B14R1.502 CCOC(=O)C#CC1=NC=C(F)C=C1 F2167-6701 [0,0,0,0,0,2|2,0,0]=4