0  B8R0.9  C=CC(N)CCC(O)=O BCP16218 [0,0,0,0,0,0|0,0,0]=0
1  B8R0.9  C=C[C@@H](N)CCC(O)=O BCP09861 [0,0,0,0,0,0|0,0,0]=0
2  B8R0.9  NCC(=O)CCC(O)=O BCP23830 [0,0,0,0,0,0|2,0,2]=4
3  B8R0.9  O=C(O)CCC(CN)=O BCP02161 [0,0,0,0,0,0|2,0,2]=4
4  B7R0.4  O=C(O)CCCCO BCP10662 [1,0,0,0,0,0|1,0,1]=3
5  B7R0.6  O=C(O)CC[N+]([O-])=O BCP15066 [1,0,0,0,0,0|3,0,0]=4
6  B7R0.6  O=C(O)CSC(F)F BCP19125 [1,0,0,0,0,0|3,0,0]=4
7  B9R0.7  N[C@@H](C(N)=O)CCC(O)=O BCP17216 [0,1,0,0,0,0|1,0,0]=2
8  B9R1.35  O=C(O)[C@@H]1NC[C@@H](O)C1 BCP17069 [0,0,0,1,0,0|2,0,1]=4
9  B9R1.69  O=C1C(N)CCC(N1)=O BCP16250 [0,0,0,1,0,0|2,0,0]=3
10  B9R1.69  O=C1CCC(C(N1)=O)N BCP05827 [0,0,0,1,0,0|2,0,0]=3
11  B9R1.69  O=C1CCC(C(N1)=O)N BCP13299 [0,0,0,1,0,0|2,0,0]=3
12  B7R0.2  O=C(O)C[C@@H](N)CC BCP07772 [0,0,0,0,1,0|0,0,2]=3
13  B6R0.4  OC(CSCC)=O BCP05241 [2,0,0,0,0,0|1,0,1]=4
14  B6R0.6  C=CCCCCO BCP03575 [2,0,0,0,0,0|0,0,1]=3
15  B6R0.6  O=CCCCCO BCP10790 [2,0,0,0,0,0|1,0,1]=4
16  B8R0.23  CC(C)[C@@H](CC(=O)O)N BCP11719 [1,1,0,0,0,0|1,0,1]=4
17  B10R0.98  N[C@@H](CSCC(O)=O)C(O)=O BCP13359 [0,1,0,0,0,1|1,0,0]=3
18  B10R0.43  CC(C(O)=O)(N)CCC(O)=O BCP19864 [0,2,0,0,0,0|1,0,0]=3
19  B8R1.1  OC[C@@H]1C=C[C](N)C1 BCP12685 [1,0,0,1,0,0|0,0,2]=4
20  B8R1.1  OC[C@@H]1C[C](N)C=C1 BCP12585 [1,0,0,1,0,0|0,0,2]=4
21  B8R1.4  NC=1CCCC(C1)=O BCP19985 [1,0,0,1,0,0|2,0,0]=4
22  B8R1.7  O=C(O)C1=COCC1 BCP10326 [1,0,0,1,0,0|1,0,1]=4
23  B8R1.7  O=C(O)C1CNCC1 BCP04865 [1,0,0,1,0,0|1,0,1]=4
24  B8R1.7  OC(=O)C1COCC1 BCP08172 [1,0,0,1,0,0|1,0,1]=4
25  B8R1.34  O=C(O)CC1CCC1 BCP15064 [1,0,0,1,0,0|0,0,2]=4
26  B8R1.23  O=C(C1CC(N1)=O)O BCP06201 [1,0,0,1,0,0|1,0,1]=4
27  B8R1.23  O=C(O)[C@@H]1C[C@@H](N)C1 BCP04214 [1,0,0,1,0,0|0,0,1]=3
28  B8R1.77  O=C(C1C(F)(F)C1)O BCP19593 [1,0,0,1,0,0|2,0,0]=4
29  B10R1.66  O=C(O)CCC1=CSC=C1 BCP20489 [0,1,0,1,0,0|1,0,1]=4
30  B10R1.66  OC(=O)CCn1cncc1 BCP11410 [0,1,0,1,0,0|1,0,1]=4
31  B10R1.66  OC(CCN1C=NC=N1)=O BCP18144 [0,1,0,1,0,0|1,0,1]=4
32  B6R0.2  C[C@@H](N)CC(O)=O BCP11586 [1,0,0,0,1,0|0,0,1]=3
33  B6R0.2  C[C@@H](N)CC(O)=O BCP16924 [1,0,0,0,1,0|0,0,1]=3
34  B6R0.3  CC[C@@H](N)C(O)=O BCP17075 [0,0,0,0,2,0|0,0,2]=4