0 B5R0.5 CC(=O)C(=O)[O-] BIB6270 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.5 CC(=O)C([13CH3])=O BID0431 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.5 CC(=O)N(C)C BIA3145 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.5 CC(N)C(=O)O BIA0868 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.5 C[C@@H](N)C(=O)O BIA0863 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.5 C[C@H](N)C(=O)O BIA0703 [0,0,0,0,0,0|1,0,0]=1 6 B4R0.1 C[C@@H](N)CO BIA0108 [1,0,0,0,0,0|1,0,1]=3 7 B4R0.1 C[C@H](N)CO BIA0120 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 NC(=O)NO BIH0153 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 NCC(=O)O BIG0503 [1,0,0,0,0,0|1,0,0]=2 10 B4R0.1 NCC(=O)O BIG0709 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.3 CCC(=O)C(=O)[O-] BIK8008 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.3 CCN(C)C(=O)Cl BIB6299 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.3 COC(=O)[C@@H](C)N BIA0107 [0,1,0,0,0,0|1,0,0]=2 14 B6R0.3 COC(=O)[C@H](C)N BIA0121 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.3 N[C@@H](CO)C(=O)O BIS0718 [0,1,0,0,0,0|1,0,0]=2 16 B6R0.3 N[C@@H](CS)C(=O)O BIC0706 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.3 N[C@@H](CS)C(=O)O BIC0707 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.3 N[C@@H](CS)C(=O)O BIC0709 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.3 [C@@H](N)(CO)C(=O)O BIS2001 [0,1,0,0,0,0|1,0,0]=2 20 B3R0.2 CS(C)=O BID1200 [2,0,0,0,0,0|1,0,0]=3 21 B3R0.2 NC(N)=O BIU4110 [2,0,0,0,0,0|2,0,0]=4 22 B5R0.1 CC(=O)OCBr BIM590 [1,1,0,0,0,0|2,0,0]=4 23 B5R0.1 CNCC(=O)O BIS0907 [1,1,0,0,0,0|0,0,0]=2 24 B5R0.3 O=C[C@@H](O)CO BIB6060 [1,1,0,0,0,0|1,0,0]=3 25 B5R0.3 OCC(O)CO BIA3092 [1,1,0,0,0,0|1,0,1]=4 26 B5R0.3 OCC(O)CS BIM0178 [1,1,0,0,0,0|1,0,1]=4 27 B7R0.2 CC(C)C[C@@H](N)CO BIL0711 [0,1,0,0,0,1|1,0,1]=4 28 B7R0.16 CC(C)[C@H](N)C(=O)O BIV0722 [0,1,0,0,0,1|0,0,0]=2 29 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BIT0719 [0,1,0,0,0,1|1,0,0]=3 30 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BIT0724 [0,1,0,0,0,1|1,0,0]=3 31 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O BIT0801 [0,1,0,0,0,1|1,0,0]=3 32 B7R0.16 C[C@H](O)[C@H](N)C(=O)O BIT0901 [0,1,0,0,0,1|1,0,0]=3 33 B7R0.5 CCOC(=O)[C@H](C)N BIA0106 [0,2,0,0,0,0|1,0,0]=3 34 B7R0.5 N[C@@H](CCS)C(=O)O BIB6065 [0,2,0,0,0,0|1,0,0]=3 35 B7R0.10 COC(=O)[C@@H](N)CO BIS0720 [0,2,0,0,0,0|1,0,0]=3 36 B7R0.10 O=C[C@H](O)[C@H](O)CO BIFS0103 [0,2,0,0,0,0|1,0,1]=4 37 B7R0.13 [2H]C([2H])(C=O)C(C)C BIM0590 [0,2,0,0,0,0|1,0,1]=4 38 B7R1.4 NC1CCSC1=O BIH4018 [0,1,0,1,0,0|1,1,0]=4 39 B7R1.4 N[C@@H]1CONC1=O BIC0119 [0,1,0,1,0,0|1,0,0]=3 40 B7R1.4 N[C@H]1CCOC1=O BIH4006 [0,1,0,1,0,0|1,0,0]=3 41 B7R1.19 NC1(C(=O)O)CC1 BIA1373 [0,1,0,1,0,0|0,0,0]=2 42 B7R0.6 CC(=O)NCC(=O)O BIA1745 [0,0,0,0,0,2|1,0,1]=4