0  B11R1.16  NCCC(=O)C1=CC=CC=C1 AC9010 [1,0,0,0,0,0|1,0,0]=2
1  B11R1.16  NCCC(=O)C1=CC=CC=C1 D76552 [1,0,0,0,0,0|1,0,0]=2
2  B13R1.18  O=C(NCCO)C1=CC(O)=CC=C1 D86005 [0,1,0,0,0,0|2,0,0]=3
3  B13R2.10  C[C@H]1CN=C(C2=CC=NC=C2)N1 E70261 [0,0,0,1,0,0|3,0,0]=4
4  B13R2.223  C[C@@]1(C2=CC=CC=C2)CCCN1 C77460 [0,0,0,1,0,0|2,0,1]=4
5  B13R2.371  N[C@H]1CCC(=O)C2=C1C=CC=C2 AT21617 [0,0,0,1,0,0|2,0,0]=3
6  B13R2.2931  NC[C@@H]1OB(O)C2=C1C=CC=C2 A11709 [0,0,0,1,0,0|2,0,1]=4
7  B13R2.5252  O=C1CCCCC2=CC=CN=C12 AT25946 [0,0,0,1,0,0|2,0,0]=3
8  B12R1.16  CCOC(=O)C1=NC=C(O)C=N1 AT23880 [1,1,0,0,0,0|2,0,0]=4
9  B12R1.17  CCOC(=O)C1=NC(O)=NC=C1 C90447 [1,1,0,0,0,0|2,0,0]=4
10  B12R1.308  CCOC(=O)C1=NN=CC=C1C P12979 [1,1,0,0,0,0|2,0,0]=4
11  B12R1.8  OCCC\C=C\C1=CC=CC=C1 D73916 [1,1,0,0,0,0|1,0,0]=3
12  B12R1.27  C[C@@H](CN)OCC1=CC=CC=C1 AT22581 [1,1,0,0,0,0|1,0,1]=4
13  B12R1.27  C[C@@H](CO)OCC1=CC=CC=C1 F31051 [1,1,0,0,0,0|1,0,1]=4
14  B12R1.252  C[C@H](N)COCC1=CC=CC=C1 75113 [1,1,0,0,0,0|0,0,1]=3
15  B14R1.19  COCCNC(=O)C1=CN=C(Cl)C=C1 D86003 [0,2,0,0,0,0|2,0,0]=4
16  B12R2.1081  O=C1CCOC2=C1C=CC=N2 AT19775 [1,0,0,1,0,0|2,0,0]=4
17  B12R2.1081  O=C1CCOC2=C1C=CN=C2 AT19772 [1,0,0,1,0,0|2,0,0]=4
18  B12R2.1081  O=C1COCC2=C1C=CN=C2 P20308 [1,0,0,1,0,0|2,0,0]=4
19  B12R2.23  O[C@@H]1CO[C@@H]1C2=CC=CC=C2 E73295 [1,0,0,1,0,0|1,0,1]=4
20  B12R2.23  O[C@H]1CO[C@@H]1C2=CC=CC=C2 E73297 [1,0,0,1,0,0|1,0,1]=4
21  B12R2.229  O=C1CCCCC2=C1OC=C2 AC9322 [0,0,0,1,1,0|2,0,0]=4
22  B12R2.229  O=C1CCCCN2C=CC=C12 E70280 [0,0,0,1,1,0|2,0,0]=4
23  B12R2.229  O=C1NCCCC2=C1C=CN2 W14842 [0,0,0,1,1,0|2,0,0]=4
24  B14R2.24  O=C1CCNC[C@@H]1C2=CC=CC=C2 65831 [0,0,0,1,0,1|2,0,0]=4
25  B14R2.24  O=C1NCCC[C@H]1C2=CC=CC=C2 D75929 [0,0,0,1,0,1|1,0,0]=3
26  B14R2.8719  O=C1CCCCC2=C1C=CC(O)=C2 AT10258 [0,1,0,1,0,0|1,0,0]=3
27  B14R2.8719  O=C1CCCSC2=C1C=CC(O)=C2 D73672 [0,1,0,1,0,0|2,0,0]=4
28  B14R2.8719  O=C1CCOCC2=C1C=CC(Br)=C2 AT16080 [0,1,0,1,0,0|2,0,0]=4
29  B14R2.8719  O=C1NCCNC2=C1C=CC(Br)=C2 AT21570 [0,1,0,1,0,0|2,0,0]=4
30  B14R2.8719  O=C1NCCOC2=C1C=CC(Br)=C2 AT16071 [0,1,0,1,0,0|2,0,0]=4
31  B14R2.10606  O=C(C1=CC=C(F)C=C1)C2CNC2 P12835 [0,1,0,1,0,0|2,0,0]=4
32  B14R2.685  O=C1NCCOC2=C(Br)C=CC=C12 AT16067 [0,1,0,1,0,0|2,0,0]=4
33  B14R2.5637  O=C1CCOCC2=C1C=C(Br)C=C2 AT16107 [0,1,0,1,0,0|2,0,0]=4
34  B14R2.8864  O=C1NCCOC2=CC=CC(Br)=C12 AT16074 [0,1,0,1,0,0|2,0,0]=4
35  B14R3.12265  O=C1NC2(CC2)C3=C1C=CC=C3 D72995 [0,0,0,2,0,0|1,0,0]=3