0  B7R1.1  C1C[C@@H](NC1)CO HAL1025 [0,1,0,0,0,0|1,1,0]=3
1  B7R1.1  C1C[C@H](NC1)CO FAL1015 [0,1,0,0,0,0|1,1,0]=3
2  B7R1.4  C1COC(=O)[C@@H]1N HAA1538 [0,1,0,0,0,0|1,1,1]=4
3  B7R1.4  C1COC(=O)[C@H]1N HAA1543 [0,1,0,0,0,0|1,1,1]=4
4  B7R1.4  CN1CCCC1=O SOL-009 [0,1,0,0,0,0|1,1,1]=4
5  B5R0.2  C(CCN)CN HNN1070 [0,0,1,0,0,0|2,0,0]=3
6  B5R0.2  C(CCN)CN HNN1080 [0,0,1,0,0,0|2,0,0]=3
7  B7R1.3  CC1CCNCC1 RL-2003 [0,0,0,0,0,1|1,0,0]=2
8  B4R0.1  C[C@@H](CN)O FAL1033 [1,0,1,0,0,0|1,1,0]=4
9  B4R0.1  C[C@H](CO)N FAL1004 [1,0,1,0,0,0|2,0,0]=4
10  B4R0.2  CCOCC SOL-005 [1,0,1,0,0,0|1,0,0]=3
11  B4R0.2  COCCBr S-30131 [1,0,1,0,0,0|2,0,0]=4
12  B4R0.2  COCCBr S-30901 [1,0,1,0,0,0|2,0,0]=4
13  B4R0.2  COCCN HL12132 [1,0,1,0,0,0|2,0,0]=4
14  B4R0.2  COCCN HL12902 [1,0,1,0,0,0|2,0,0]=4
15  B4R0.2  COCCO S-30130 [1,0,1,0,0,0|1,1,0]=4
16  B4R0.2  COCCO S-30900 [1,0,1,0,0,0|1,1,0]=4
17  B4R0.2  COCCS HL12134 [1,0,1,0,0,0|1,0,0]=3
18  B4R0.2  COCCS HL12904 [1,0,1,0,0,0|1,0,0]=3
19  B6R0.3  CC(C)[C@@H](CO)N FAL1018 [0,1,1,0,0,0|2,0,0]=4
20  B6R0.3  C[C@H]([C@@H](CO)N)O FAL1016 [0,1,1,0,0,0|1,1,0]=4
21  B6R0.6  C(CCN)CCO FAL1003 [0,1,1,0,0,0|0,1,0]=3
22  B6R0.6  C(COCCS)O PEG5450 [0,1,1,0,0,0|1,0,0]=3
23  B6R0.6  C(COCCS)O PEG5460 [0,1,1,0,0,0|1,0,0]=3
24  B6R0.6  C(COCCS)O PEG5470 [0,1,1,0,0,0|1,0,0]=3
25  B8R1.5  C1[C@H]([C@@H](CSS1)O)O RL-1012 [0,1,0,0,0,1|1,1,0]=4
26  B8R1.5  C1[C@H]([C@H](CSS1)O)O RL-1011 [0,1,0,0,0,1|1,1,0]=4
27  B8R1.7  C1C[C@@H](NC1)C(=O)N HAA1047 [0,2,0,0,0,0|1,1,0]=4
28  B8R1.7  C1C[C@@H](NC1)C(=O)O HAA1048 [0,2,0,0,0,0|1,1,0]=4
29  B8R1.7  C1C[C@H](NC1)C(=O)N HAA7160 [0,2,0,0,0,0|1,1,0]=4
30  B8R1.7  C1C[C@H](NC1)C(=O)O HAA1126 [0,2,0,0,0,0|1,1,0]=4
31  B6R1.1  C1CCNCC1 SOL-010 [0,0,1,1,0,0|1,0,0]=3