0 B4R0.2 CSCC=C S6204 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.2 CSSSC S6311 [0,0,0,0,0,0|4,0,0]=4 2 B3R0.1 C(CO)N S6210 [1,0,0,0,0,0|1,0,0]=2 3 B3R0.1 C(CS)N S4206 [1,0,0,0,0,0|1,1,0]=3 4 B3R0.1 C(CS)N S6402 [1,0,0,0,0,0|1,1,0]=3 5 B5R0.1 C(C(=O)O)ON S4989 [0,1,0,0,0,0|2,0,1]=4 6 B5R0.1 C(CN)C(=O)O S5526 [0,1,0,0,0,0|1,0,1]=3 7 B5R0.1 CCCC(=O)[O-] S1999 [0,1,0,0,0,0|0,0,2]=3 8 B5R0.1 CCCC(=O)[O-] S1999 [0,1,0,0,0,0|0,0,2]=3 9 B5R0.1 CCOC(=O)N S4544 [0,1,0,0,0,0|1,0,2]=4 10 B5R0.1 CCOC(=O)N S4544 [0,1,0,0,0,0|1,0,2]=4 11 B5R0.1 CNCC(=O)O S4702 [0,1,0,0,0,0|1,0,1]=3 12 B5R0.1 CNCC(=O)O S4702 [0,1,0,0,0,0|1,0,1]=3 13 B5R0.2 C(CCN)CN S5344 [0,1,0,0,0,0|1,0,0]=2 14 B5R0.2 C(CCN)CN S5825 [0,1,0,0,0,0|1,0,0]=2 15 B5R0.2 C(CCN)CN S5825 [0,1,0,0,0,0|1,0,0]=2 16 B5R0.3 C(C(CO)O)O S2766 [0,1,0,0,0,0|1,0,0]=2 17 B5R1.3 C1C(O1)CCl S4129 [0,0,0,1,0,0|1,0,0]=2 18 B5R1.3 C1C(O1)CCl S4134 [0,0,0,1,0,0|1,0,0]=2 19 B2R0.1 CNC S6197 [2,0,0,0,0,0|1,0,0]=3 20 B4R0.1 C(C(=O)O)N S4821 [1,1,0,0,0,0|1,0,1]=4 21 B4R0.1 C(C(=O)O)O S1826 [1,1,0,0,0,0|1,0,1]=4 22 B4R0.1 C(C(=O)O)O S1826 [1,1,0,0,0,0|1,0,1]=4 23 B4R0.1 C(C(=O)O)O S1826 [1,1,0,0,0,0|1,0,1]=4 24 B4R0.1 C(C(=O)O)O S6272 [1,1,0,0,0,0|1,0,1]=4 25 B4R0.1 C(C(=O)O)[NH-] S7448 [1,1,0,0,0,0|1,0,1]=4 26 B4R0.1 C(C(=O)O)[NH-] S7448 [1,1,0,0,0,0|1,0,1]=4 27 B4R0.1 CC(=O)NO S4602 [1,1,0,0,0,0|1,0,1]=4 28 B4R0.1 CC(=O)NO S4602 [1,1,0,0,0,0|1,0,1]=4 29 B4R0.1 CC(CO)O S6258 [1,1,0,0,0,0|0,0,0]=2 30 B6R0.1 COC(=O)CCN S6219 [0,2,0,0,0,0|1,0,1]=4 31 B6R0.2 CC(C)CC(=O)N S4116 [0,2,0,0,0,0|0,0,2]=4 32 B6R0.2 CC(C)CC(=O)O S6287 [0,2,0,0,0,0|0,0,1]=3 33 B6R0.2 CC(CC(=O)O)O S1031 [0,2,0,0,0,0|0,0,1]=3 34 B6R0.2 CN(C)CC(=O)O S6056 [0,2,0,0,0,0|1,0,1]=4 35 B6R0.3 C(C(C(=O)O)N)O S5545 [0,2,0,0,0,0|1,0,1]=4 36 B6R0.3 C(C(C(=O)O)N)O S6224 [0,2,0,0,0,0|1,0,1]=4 37 B6R0.3 C(C(C(=O)O)N)O S9353 [0,2,0,0,0,0|1,0,1]=4 38 B6R0.3 C(C(C(=O)O)N)S S4815 [0,2,0,0,0,0|1,0,1]=4 39 B6R0.3 C(C(C(=O)O)N)S S5635 [0,2,0,0,0,0|1,0,1]=4 40 B6R0.3 CC(CN)C(=O)O S6134 [0,2,0,0,0,0|1,0,1]=4 41 B6R0.3 CCC(=O)C(=O)O S6329 [0,2,0,0,0,0|0,0,2]=4 42 B6R0.3 CCC(C(=O)O)N S6203 [0,2,0,0,0,0|0,0,1]=3 43 B6R0.3 CCC(C(=O)O)N S6330 [0,2,0,0,0,0|0,0,1]=3 44 B6R0.3 CCC(C(=O)O)O S6119 [0,2,0,0,0,0|0,0,1]=3 45 B6R0.4 C(CC(=O)O)CN S4700 [0,2,0,0,0,0|0,0,1]=3 46 B6R0.4 C(CC(=O)O)CN S4700 [0,2,0,0,0,0|0,0,1]=3 47 B6R0.4 C=CCCC(=O)O S6268 [0,2,0,0,0,0|0,0,2]=4 48 B6R0.4 CSCCC(=O)O S6341 [0,2,0,0,0,0|0,0,1]=3 49 B6R0.5 C(CS(=O)(=O)O)N S2008 [0,2,0,0,0,0|2,0,0]=4 50 B6R0.5 C(CS(=O)(=O)[O-])O S6190 [0,2,0,0,0,0|2,0,0]=4 51 B6R0.5 C[N+](C)(C)CCO S4171 [0,2,0,0,0,0|1,0,0]=3 52 B6R0.6 C#CCOCCN S1946 [0,2,0,0,0,0|1,0,1]=4 53 B6R0.6 C#CCOCCO S1780 [0,2,0,0,0,0|0,0,1]=3 54 B6R0.6 C(CCN)CCN S6357 [0,2,0,0,0,0|1,0,0]=3 55 B6R0.6 C(COCCBr)O S1686 [0,2,0,0,0,0|0,0,0]=2 56 B6R0.6 C(COCCN)N S1800 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.6 CCC=CCCO S6059 [0,2,0,0,0,0|0,0,0]=2 58 B6R0.6 CCCC=CC=O S6303 [0,2,0,0,0,0|0,0,2]=4 59 B6R1.2 CN1CCCC1 S6216 [0,1,0,1,0,0|1,0,0]=3 60 B6R1.1 C1CNCCN1 S4574 [0,1,0,1,0,0|1,0,0]=3 61 B6R1.1 C1CNCCN1 S4574 [0,1,0,1,0,0|1,0,0]=3