0 B4R0.1 C#CC(=O)O S6108 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C(=NN)(N)N S4548 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.1 C(=NN)(N)N S4548 [0,0,0,0,0,0|4,0,0]=4 3 B4R0.1 C(=O)(N)NO S1896 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 C(=O)(N)NO S1896 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 C(=O)(N)NO S1896 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 C(=O)(N)NO S1896 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 C(C(=O)O)N S4821 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 C(C(=O)O)O S1826 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.1 C(C(=O)O)O S1826 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 C(C(=O)O)O S1826 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 C(C(=O)O)O S6272 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.1 C(C(=O)O)[NH-] S7448 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.1 C(C(=O)O)[NH-] S7448 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.1 C(C(=O)[O-])N S6436 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 C(C(=O)[O-])N S6449 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 C=CC(=O)N S6227 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 CC(=O)NO S4602 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.1 CC(=O)NO S4602 [0,0,0,0,0,0|2,0,0]=2 19 B4R0.1 CC(CO)O S6258 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 CN(C)C=O S6192 [0,0,0,0,0,0|4,0,0]=4 21 B4R0.1 CN=C(N)N S6309 [0,0,0,0,0,0|3,0,0]=3 22 B4R0.1 CSC(=N)N S3631 [0,0,0,0,0,0|2,1,0]=3 23 B3R0.2 C(=N)(N)N S4070 [1,0,0,0,0,0|3,0,0]=4 24 B3R0.2 C(=N)(N)N S4070 [1,0,0,0,0,0|3,0,0]=4 25 B3R0.2 C(=O)(N)N S3687 [1,0,0,0,0,0|2,0,0]=3 26 B3R0.2 C(=O)([O-])[O-] S4828 [1,0,0,0,0,0|1,0,1]=3 27 B3R0.2 C(=O)([O-])[O-] S4933 [1,0,0,0,0,0|1,0,1]=3 28 B3R0.2 C(=O)([O-])[O-] S4933 [1,0,0,0,0,0|1,0,1]=3 29 B3R0.2 CC(=O)N S6011 [1,0,0,0,0,0|1,0,0]=2 30 B3R0.2 CC(=O)[O-] S4843 [1,0,0,0,0,0|0,0,1]=2 31 B3R0.2 CC(=S)[O-] S6020 [1,0,0,0,0,0|0,1,1]=3 32 B3R0.2 O[Al](O)O S4826 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 C(C(=O)O)ON S4989 [0,1,0,0,0,0|2,0,0]=3 34 B5R0.1 C(CN)C(=O)O S5526 [0,1,0,0,0,0|2,0,0]=3 35 B5R0.1 CCCC(=O)[O-] S1999 [0,1,0,0,0,0|2,0,0]=3 36 B5R0.1 CCCC(=O)[O-] S1999 [0,1,0,0,0,0|2,0,0]=3 37 B5R0.1 CCOC(=O)N S4544 [0,1,0,0,0,0|1,0,0]=2 38 B5R0.1 CCOC(=O)N S4544 [0,1,0,0,0,0|1,0,0]=2 39 B5R0.1 CNCC(=O)O S4702 [0,1,0,0,0,0|2,0,0]=3 40 B5R0.1 CNCC(=O)O S4702 [0,1,0,0,0,0|2,0,0]=3 41 B5R0.5 C(=O)(C(=O)O)O S9354 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.5 C(=O)(C(=O)[O-])N S6871 [0,1,0,0,0,0|3,0,0]=4 43 B5R0.5 C(=O)(C(=O)[O-])N S6871 [0,1,0,0,0,0|3,0,0]=4 44 B5R0.5 C(C(=O)[O-])(Cl)Cl S8615 [0,1,0,0,0,0|3,0,0]=4 45 B5R0.5 CC(C(=O)O)N S3203 [0,1,0,0,0,0|2,0,0]=3 46 B5R0.5 CC(C(=O)O)N S5631 [0,1,0,0,0,0|2,0,0]=3 47 B5R0.5 CC(C(=O)O)O S6250 [0,1,0,0,0,0|2,0,0]=3 48 B5R0.5 CC(C(=O)[O-])O S4829 [0,1,0,0,0,0|2,0,0]=3 49 B5R0.5 CC(C(=O)[O-])O S5625 [0,1,0,0,0,0|2,0,0]=3 50 B5R0.5 CC(C(=O)[O-])O S6010 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.5 CC(C(C)O)O S6040 [0,1,0,0,0,0|1,0,2]=4 52 B2R0.1 C(=O)[O-] S6262 [2,0,0,0,0,0|0,0,1]=3 53 B2R0.1 CNC S6197 [2,0,0,0,0,0|1,0,0]=3 54 B2R0.1 O=[Si]=O S1900 [2,0,0,0,0,0|0,1,1]=4 55 B4R0.2 CSCC=C S6204 [1,1,0,0,0,0|0,1,1]=4 56 B4R0.2 CSSSC S6311 [1,1,0,0,0,0|1,1,0]=4 57 B4R0.3 C[N+](C)(C)[O-] S6042 [1,1,0,0,0,0|1,0,1]=4 58 B4R0.3 OP(=O)([O-])[O-] S5011 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.1 COC(=O)CCN S6219 [0,2,0,0,0,0|0,0,0]=2 60 B6R0.2 CC(=CC(=O)O)C S6247 [0,2,0,0,0,0|2,0,0]=4 61 B6R0.2 CC(C)CC(=O)N S4116 [0,2,0,0,0,0|2,0,0]=4 62 B6R0.2 CC(C)CC(=O)O S6287 [0,2,0,0,0,0|2,0,0]=4 63 B6R0.2 CC(CC(=O)O)O S1031 [0,2,0,0,0,0|2,0,0]=4 64 B6R0.2 CN(C)CC(=O)O S6056 [0,2,0,0,0,0|2,0,0]=4 65 B6R0.3 C(C(=O)C(=O)O)Br S5426 [0,2,0,0,0,0|2,0,0]=4 66 B6R0.3 C(C(C(=O)O)N)O S5545 [0,2,0,0,0,0|2,0,0]=4 67 B6R0.3 C(C(C(=O)O)N)O S6224 [0,2,0,0,0,0|2,0,0]=4 68 B6R0.3 C(C(C(=O)O)N)O S9353 [0,2,0,0,0,0|2,0,0]=4 69 B6R0.3 C(C(C(=O)O)N)S S4815 [0,2,0,0,0,0|2,0,0]=4 70 B6R0.3 C(C(C(=O)O)N)S S5635 [0,2,0,0,0,0|2,0,0]=4 71 B6R0.3 CC(=NO)C(=O)C S3699 [0,2,0,0,0,0|1,0,0]=3 72 B6R0.3 CC(CN)C(=O)O S6134 [0,2,0,0,0,0|2,0,0]=4 73 B6R0.3 CC=C(C)C(=O)O S3789 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.3 CC=C(C)C(=O)O S3803 [0,2,0,0,0,0|1,0,0]=3 75 B6R0.3 CCC(=O)C(=O)O S6329 [0,2,0,0,0,0|1,0,1]=4 76 B6R0.3 CCC(C(=O)O)N S6203 [0,2,0,0,0,0|2,0,0]=4 77 B6R0.3 CCC(C(=O)O)N S6330 [0,2,0,0,0,0|2,0,0]=4 78 B6R0.3 CCC(C(=O)O)O S6119 [0,2,0,0,0,0|2,0,0]=4 79 B6R0.4 C(CC(=O)O)CN S4700 [0,2,0,0,0,0|2,0,0]=4 80 B6R0.4 C(CC(=O)O)CN S4700 [0,2,0,0,0,0|2,0,0]=4 81 B6R0.4 C=CCCC(=O)O S6268 [0,2,0,0,0,0|2,0,0]=4 82 B6R0.4 CSCCC(=O)O S6341 [0,2,0,0,0,0|1,1,0]=4 83 B6R0.7 CC(C)(C(=O)O)N S6270 [0,2,0,0,0,0|2,0,0]=4 84 B6R0.7 CC(C)(C(=O)O)O S6307 [0,2,0,0,0,0|2,0,0]=4