0 B14R2.10591 CC1=CC(=NC=C1Br)OCC2CC2 MCULE-3715922053 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.10591 NC1=C(C=C(C=C1)OCC2CC2)O MCULE-6556174127 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.527 BrC1=CC=C(N=C1)CNC2CC2 MCULE-5339142611 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.527 BrC1=CN=C(C=C1)OCC2CC2 MCULE-7028207967 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.527 CC1=CN=C(C=C1)CNC2CC2 MCULE-2236609606 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.527 CC1=NN=C(C=C1)OCC2CC2 MCULE-2272120077 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.527 ClC1=NN=C(C=C1)CNC2CC2 MCULE-5331990628 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.527 ClC1=NN=C(C=C1)CNC2CC2 MCULE-9002758794 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.527 FC1=CN=C(C=C1)OCC2CC2 MCULE-3866802801 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.527 IC1=CC=C(N=C1)OCC2CC2 MCULE-2641813634 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.527 NC1=CC=C(C=C1)CCC2CC2 MCULE-1270782462 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.527 NC1=CC=C(C=C1)CCC2CC2 MCULE-4025755729 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.527 NC1=CC=C(N=C1)OCC2CC2 MCULE-9458219859 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.527 OC1=CC=C(N=C1)OCC2CC2 MCULE-7913310119 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.5331 BrC1=CC(=NC=C1)OCC2CC2 MCULE-9278658688 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.5331 CC1=CC(=NC=C1)NCC2CC2 MCULE-9321378783 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.5331 CC1=CC=NC(=C1)OCC2CC2 MCULE-9282521654 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.5331 NC1=CC=NC(=C1)OCC2CC2 MCULE-4520730935 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.5331 OC1=CC(=CC=C1)CNC2CC2 MCULE-8068579266 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.5331 OC1=CC(=CC=C1)OCC2CC2 MCULE-8098401543 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.5331 OC1=CC(=CN=C1)OCC2CC2 MCULE-3723622909 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.5331 OC1=CC=CC(=C1)SCC2CC2 MCULE-6969164406 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.5331 OC1=CC=NC(=N1)SCC2CC2 MCULE-7384813195 [1,0,0,0,0,0|3,0,0]=4 23 B15R2.18898 N[C@@H](CC1CC1)C2=CC=C(C(=C2)O)O MCULE-4034011091 [0,1,0,0,0,0|2,0,1]=4 24 B15R2.18898 N[C@@H](CC1CC1)C2=CC=C(C(=C2)O)O MCULE-7559407066 [0,1,0,0,0,0|2,0,1]=4 25 B15R2.18898 N[C@H](CC1CC1)C2=CC=C(C(=C2)O)O MCULE-2947275400 [0,1,0,0,0,0|2,0,1]=4 26 B15R2.18898 N[C@H](CC1CC1)C2=CC=C(C(=C2)O)O MCULE-3051978642 [0,1,0,0,0,0|2,0,1]=4 27 B15R2.31892 CC1=CC(=NC=C1C=O)OCC2CC2 MCULE-5859251481 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.226 CC(C)CCC1=CC(=CC=C1)O MCULE-4370229903 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.1 CCCCCC1=CC=C(C=N1)O MCULE-8445153917 [1,0,1,0,0,0|1,0,1]=4 30 B12R1.1 CCCCOC1=NNC(=S)C=C1 MCULE-5338244614 [1,0,1,0,0,0|1,1,0]=4 31 B12R1.28 CCCCCC1=CC=CC(=C1)O MCULE-1153309638 [1,0,1,0,0,0|2,0,0]=4 32 B12R2.2057 C1=CC=C(N=C1)OCC2CC2 MCULE-1675415362 [2,0,0,0,0,0|2,0,0]=4 33 B12R2.2057 C1=CN=C(C=C1)CNC2CC2 MCULE-5469603631 [2,0,0,0,0,0|2,0,0]=4 34 B12R2.2057 C1=CN=C(C=C1)CNC2CC2 MCULE-9533374599 [2,0,0,0,0,0|2,0,0]=4 35 B14R2.933 N[C@@H](CC1CC1)C2=NC=C(C=C2)Br MCULE-2168626683 [1,1,0,0,0,0|2,0,0]=4 36 B14R2.933 N[C@@H](CC1CC1)C2=NC=C(C=C2)Br MCULE-6092354420 [1,1,0,0,0,0|2,0,0]=4 37 B14R2.933 N[C@H](CC1CC1)C2=NC=C(C=C2)Br MCULE-6355441490 [1,1,0,0,0,0|2,0,0]=4 38 B14R2.933 N[C@H](CC1CC1)C2=NC=C(C=C2)Br MCULE-7843478324 [1,1,0,0,0,0|2,0,0]=4 39 B14R2.9036 N[C@@H](CC1CC1)C2=CC(=CC=C2)O MCULE-6984159223 [1,1,0,0,0,0|2,0,0]=4 40 B14R2.9036 N[C@@H](CC1CC1)C2=CC(=CC=C2)O MCULE-7158899974 [1,1,0,0,0,0|2,0,0]=4 41 B14R2.9036 N[C@H](CC1CC1)C2=CC(=CC=C2)O MCULE-4133098981 [1,1,0,0,0,0|2,0,0]=4 42 B14R2.9036 N[C@H](CC1CC1)C2=CC(=CC=C2)O MCULE-7344228639 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.527 CCCCOC1=C(C(=O)NS1)O MCULE-6865345584 [0,0,1,0,1,0|2,0,0]=4 44 B12R2.1286 OC1=NC=NC(=C1)CC2CC2 MCULE-5369986003 [1,0,0,0,1,0|2,0,0]=4 45 B14R2.9061 OC1=CC(=CC=C1)CNCC2CC2 MCULE-5731269215 [1,0,0,0,0,1|2,0,0]=4