0 B5R0.5 CC(C(=N)N)O WX619923 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 CN(C)C(=N)N WX619912 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.5 CN(C)C(=N)N WX619935 [0,0,0,0,0,0|4,0,0]=4 3 B4R0.1 CC(C)NN WX684009 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.1 CCC(=N)N WX619910 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.3 C([C@H](C(=O)N)N)O WX665005 [0,1,0,0,0,0|2,0,0]=3 6 B6R0.3 CC(C)C(=N)NO WX619096 [0,1,0,0,0,0|2,0,0]=3 7 B6R0.3 CC(C)C(=O)NN WX684019 [0,1,0,0,0,0|2,0,0]=3 8 B6R0.3 CC(C)\C(=N\O)\N WX690138 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.3 CN(C)C(=O)CI WX630194 [0,1,0,0,0,0|3,0,0]=4 10 B6R0.3 CNC(=O)C(=O)O WXC01945 [0,1,0,0,0,0|0,0,2]=3 11 B6R0.3 COC(=O)C(=N)N WX619922 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.7 CC(=O)C(C)(C)N WX600266 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.7 CC(C)(C(=N)N)O WXC00585 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.7 CC(C)(C)C(=N)N WX619906 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.7 CC(C)(C)C(=N)N WX619940 [0,1,0,0,0,0|3,0,0]=4 16 B6R1.11 B(C1CC1)(O)O WX658003 [0,0,0,1,0,0|2,0,1]=4 17 B6R1.11 C1CC1C(=N)N WX619908 [0,0,0,1,0,0|3,0,0]=4 18 B6R1.11 C1CC1C(=N)N WX684410 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.11 CC(C1CC1)O WX642143 [0,0,0,1,0,0|2,0,1]=4 20 B6R0.2 C[C@@H](CC(=O)O)N WX665057 [0,0,0,0,0,1|1,0,0]=2 21 B6R0.2 C\C(=C\C(=O)O)\I WXC02281 [0,0,0,0,0,1|1,0,1]=3 22 B5R0.1 C(CF)C(=O)O WX610266 [1,1,0,0,0,0|0,0,0]=2 23 B5R0.1 CC(=O)CNC WX600212 [1,1,0,0,0,0|1,0,0]=3 24 B5R0.1 CC(=O)\C=N\O WX690228 [1,1,0,0,0,0|0,0,2]=4 25 B5R0.1 CC(CNN)O WX684013 [1,1,0,0,0,0|1,0,1]=4 26 B5R0.1 CC(CNN)O WX684431 [1,1,0,0,0,0|1,0,1]=4 27 B5R0.1 CCCC(=N)N WX619909 [1,1,0,0,0,0|2,0,0]=4 28 B5R0.1 C[C@H](CC=C)O WX685032 [1,1,0,0,0,0|1,0,0]=3 29 B5R0.3 C(C(=O)NN)O WX684421 [1,1,0,0,0,0|1,0,0]=3 30 B5R0.4 CC(C)(CN)O WX600104 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.5 C(CN)[C@@H](C(=O)O)N WX665073 [0,2,0,0,0,0|1,0,0]=3 32 B7R0.14 CCC(=O)C(C)(C)C WX625148 [0,2,0,0,0,0|2,0,0]=4 33 B5R1.2 C1C(=O)CN1 WXC03556 [1,0,0,1,0,0|2,0,0]=4 34 B5R1.2 C1C(=O)CO1 WX625042 [1,0,0,1,0,0|1,0,0]=3 35 B5R1.2 C1C(CN1)O WX604205 [1,0,0,1,0,0|1,0,1]=4 36 B5R1.2 C1C(CO1)N WX604200 [1,0,0,1,0,0|1,0,1]=4 37 B5R1.2 C1CC(C1)O WX642079 [1,0,0,1,0,0|1,0,1]=4 38 B5R1.3 C1CC1CO WX640290 [1,0,0,1,0,0|1,0,1]=4 39 B7R1.2 C1C(=CC(=O)O1)Br WXC00644 [0,0,0,1,0,1|1,0,1]=4 40 B7R1.2 C1C(COC1=O)N WXC01359 [0,0,0,1,0,1|1,0,0]=3 41 B7R1.2 C1[C@@H](CNC1=O)O WX650011 [0,0,0,1,0,1|1,0,0]=3 42 B7R1.2 CC1CC(=O)NC1 WXC00781 [0,0,0,1,0,1|2,0,0]=4 43 B7R1.12 C1[C@H]([C@@H]1F)C(=O)O WX610333 [0,0,0,1,0,1|1,0,0]=3 44 B7R1.12 C1[C@H]([C@H]1F)C(=O)O WX610334 [0,0,0,1,0,1|1,0,0]=3 45 B7R1.12 CC1CC1C(=O)O WX610273 [0,0,0,1,0,1|1,0,0]=3 46 B7R1.12 C[C@H]1C[C@@H]1C(=O)O WX611005 [0,0,0,1,0,1|1,0,0]=3 47 B7R1.4 C1CNC(=O)[C@@H]1N WX604202 [0,1,0,1,0,0|2,0,0]=4 48 B7R1.4 C1CNC(=O)[C@H]1O WX642165 [0,1,0,1,0,0|1,0,0]=3 49 B7R1.4 C1COC(=O)C1N WXC03217 [0,1,0,1,0,0|1,0,0]=3 50 B7R1.4 C1[C@@H]([C@H](CO1)O)N WX604241 [0,1,0,1,0,0|1,0,1]=4 51 B7R1.4 C1[C@H]([C@@H](CO1)F)O WX641036 [0,1,0,1,0,0|1,0,1]=4 52 B7R1.4 C1[C@H]([C@@H](CO1)O)N WX601208 [0,1,0,1,0,0|1,0,1]=4 53 B7R1.4 C[C@H]1COC[C@@H]1O WX641037 [0,1,0,1,0,0|1,0,1]=4 54 B7R1.4 C[C@H]1COC[C@H]1O WX641035 [0,1,0,1,0,0|1,0,1]=4 55 B7R1.19 C1CC1(C(=O)N)N WX600316 [0,1,0,1,0,0|2,0,0]=4 56 B7R1.19 C1CC1(C(=O)O)F WXFC0175 [0,1,0,1,0,0|1,0,0]=3 57 B7R1.19 CC(=O)C1(CC1)F WX625133 [0,1,0,1,0,0|2,0,0]=4 58 B7R1.19 CC1(CC1)C(=O)O WX610274 [0,1,0,1,0,0|1,0,0]=3 59 B7R1.22 CCC(=O)C1CC1 WX625032 [0,1,0,1,0,0|2,0,0]=4