0  B7R0.6  CC(C)CCC(C)N MC446673 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.6  CN(C)CCN(C)C MC425151 [0,0,0,0,0,0|4,0,0]=4
2  B7R0.6  CN(C)CCN(C)C MC444920 [0,0,0,0,0,0|4,0,0]=4
3  B6R0.4  CC(C)CCCO MC428025 [1,0,0,0,0,0|3,0,0]=4
4  B6R0.4  CC(C)NCCN MC20461 [1,0,0,0,0,0|3,0,0]=4
5  B8R0.9  CC(C)NCC(O)CO MC437813 [0,1,0,0,0,0|3,0,0]=4
6  B8R0.9  CC(C)NCC(O)CO MC437814 [0,1,0,0,0,0|3,0,0]=4
7  B8R0.9  CC(C)NCC(O)CO MC445487 [0,1,0,0,0,0|3,0,0]=4
8  B8R0.23  CC(C)OC(=O)C(C)N CS14281 [0,1,0,0,0,0|2,1,0]=4
9  B8R0.23  CC(C)OC(=O)C(C)N MC436161 [0,1,0,0,0,0|2,1,0]=4
10  B8R0.23  CC(C)OC(=O)C(C)N MC439194 [0,1,0,0,0,0|2,1,0]=4
11  B8R1.3  CC1CNC(C)CN1 CS14078 [0,0,0,1,0,0|3,0,0]=4
12  B8R1.3  CC1CNC(C)CN1 MC103638 [0,0,0,1,0,0|3,0,0]=4
13  B8R1.3  CC1COC(C)CN1 MC107001 [0,0,0,1,0,0|2,1,0]=4
14  B8R1.3  CC1COC(C)CN1 MC107002 [0,0,0,1,0,0|2,1,0]=4
15  B8R1.23  CC(C)N1CC(O)C1 MC444113 [0,0,0,1,0,0|3,0,0]=4
16  B6R0.2  CC(C)PC(C)C MC444830 [0,0,0,0,1,0|1,0,0]=2
17  B8R0.28  CC(C)CCCC(C)N MC446672 [0,0,0,0,0,1|3,0,0]=4
18  B8R0.28  CC(C)N=C=NC(C)C MC439141 [0,0,0,0,0,1|2,0,0]=3
19  B5R0.1  CC(C)SC#N MC41971 [2,0,0,0,0,0|1,0,1]=4
20  B7R0.5  CCOC(=O)C(C)C CS11388 [1,1,0,0,0,0|1,1,0]=4
21  B7R0.9  CC(O)CC(C)(C)O MC428277 [0,1,0,0,1,0|2,0,0]=4
22  B7R0.9  CN(C)CC(C)(C)O MC41894 [0,1,0,0,1,0|2,0,0]=4
23  B7R0.16  CC(C)C(=O)N(C)C MC41952 [0,1,0,0,1,0|2,0,0]=4
24  B7R0.16  CC(C)C(N)C(C)C CS17730 [0,1,0,0,1,0|1,0,0]=3
25  B9R0.77  CC(C)(C)C[NH2+]C(C)(C)C MC112755 [0,2,0,0,0,0|2,0,0]=4
26  B7R1.3  CC1CCCCN1 MC20418 [1,0,0,1,0,0|2,0,0]=4
27  B7R1.3  CC1CCCNC1 CS16133 [1,0,0,1,0,0|2,0,0]=4
28  B7R1.3  CC1CCCNC1 MC425227 [1,0,0,1,0,0|2,0,0]=4
29  B7R1.14  CC1(C)NCCS1 CS22651 [1,0,0,1,0,0|2,0,0]=4
30  B7R1.16  CC1(C)CC(Br)C1 MC115986 [0,0,0,1,1,0|2,0,0]=4
31  B9R1.150  CC1(C)OBOC1(C)C MC20647 [0,0,0,1,0,1|0,2,0]=4
32  B9R1.69  CC1CN(C)C(C)CN1 MC102181 [0,1,0,1,0,0|2,0,0]=4
33  B9R1.69  CC1CN(C)C(C)CN1 MC102182 [0,1,0,1,0,0|2,0,0]=4
34  B9R2.49  C1CC2CCC1CN2 MC425241 [0,0,0,2,0,0|2,0,0]=4