0 B5R0.1 CC(=O)OCBr BIM590 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.1 CNCC(=O)O BIS0907 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 C[C@@H](N)CO BIA0108 [1,0,0,0,0,0|2,0,1]=4 3 B4R0.1 C[C@H](N)CO BIA0120 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.1 NC(=O)NO BIH0153 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.1 NCC(=O)O BIG0503 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 NCC(=O)O BIG0709 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.3 CCC(=O)C(=O)[O-] BIK8008 [0,1,0,0,0,0|1,0,1]=3 8 B6R0.3 CCN(C)C(=O)Cl BIB6299 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.3 N[C@@H](CO)C(=O)O BIS0718 [0,1,0,0,0,0|2,0,0]=3 10 B6R0.3 N[C@@H](CS)C(=O)O BIC0706 [0,1,0,0,0,0|2,0,0]=3 11 B6R0.3 N[C@@H](CS)C(=O)O BIC0707 [0,1,0,0,0,0|2,0,0]=3 12 B6R0.3 N[C@@H](CS)C(=O)O BIC0709 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.3 [C@@H](N)(CO)C(=O)O BIS2001 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.5 C[N+](C)(C)CCO BIC0605 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.5 NCCS(=O)(=O)O BIA0603 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.5 O=S(=O)([O-])CCBr BIB1184 [0,1,0,0,0,0|3,0,0]=4 17 B6R1.2 N=C1CCCS1 BIM099 [0,0,0,1,0,0|1,1,0]=3 18 B6R1.2 N=C1CCCS1 BIM100 [0,0,0,1,0,0|1,1,0]=3 19 B3R0.1 NCCS BIC2510 [2,0,0,0,0,0|1,1,0]=4 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 B5R0.5 CC(=O)C(=O)[O-] BIB6270 [1,1,0,0,0,0|1,0,1]=4 23 B5R0.5 CC(=O)C([13CH3])=O BID0431 [1,1,0,0,0,0|0,0,1]=3 24 B5R0.5 CC(=O)N(C)C BIA3145 [1,1,0,0,0,0|1,0,0]=3 25 B5R0.5 CC(N)C(=O)O BIA0868 [1,1,0,0,0,0|1,0,0]=3 26 B5R0.5 C[C@@H](N)C(=O)O BIA0863 [1,1,0,0,0,0|1,0,0]=3 27 B5R0.5 C[C@H](N)C(=O)O BIA0703 [1,1,0,0,0,0|1,0,0]=3 28 B5R0.2 NCCCCN BIB6265 [1,1,0,0,0,0|1,0,1]=4 29 B5R0.2 NCCCCN BIP0733 [1,1,0,0,0,0|1,0,1]=4 30 B7R0.2 CC(C)C[C@@H](N)CO BIL0711 [0,2,0,0,0,0|1,0,1]=4 31 B7R0.5 CCOC(=O)[C@H](C)N BIA0106 [0,2,0,0,0,0|1,0,0]=3 32 B7R0.5 N[C@@H](CCS)C(=O)O BIB6065 [0,2,0,0,0,0|1,0,0]=3 33 B7R0.10 COC(=O)[C@@H](N)CO BIS0720 [0,2,0,0,0,0|1,0,0]=3 34 B7R0.16 CC(C)[C@H](N)C(=O)O BIV0722 [0,2,0,0,0,0|1,0,0]=3 35 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BIT0719 [0,2,0,0,0,0|1,0,0]=3 36 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BIT0724 [0,2,0,0,0,0|1,0,0]=3 37 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O BIT0801 [0,2,0,0,0,0|1,0,0]=3 38 B7R0.16 C[C@H](O)[C@H](N)C(=O)O BIT0901 [0,2,0,0,0,0|1,0,0]=3 39 B7R0.6 CC(=O)NCC(=O)O BIA1745 [0,2,0,0,0,0|1,0,1]=4 40 B7R0.6 CN(C)CCN(C)C BIT7140 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.6 CN(C)CCN(C)C BIT7141 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.6 O=C(O)CCC(=O)O BI225 [0,2,0,0,0,0|1,0,1]=4 43 B7R1.2 O=C1CCC(=O)N1 BI224 [0,1,0,1,0,0|1,0,1]=4 44 B7R1.4 NC1CCSC1=O BIH4018 [0,1,0,1,0,0|1,0,0]=3 45 B7R1.4 N[C@@H]1CONC1=O BIC0119 [0,1,0,1,0,0|2,0,0]=4 46 B7R1.4 N[C@H]1CCOC1=O BIH4006 [0,1,0,1,0,0|1,0,0]=3 47 B7R1.19 NC1(C(=O)O)CC1 BIA1373 [0,1,0,1,0,0|1,0,0]=3