0  B17R2.5003  C[C@H](NC1C(=O)Nc2c1cccc2)C(=O)O 269956a_100000743915_200009996675 [0,0,0,0,0,0|2,0,2]=4
1  B16R2.4003  CC(=O)CCn1c(=O)[nH]c2c1cccc2 1458a_100000070787_203549783246 [1,0,0,0,0,0|2,0,1]=4
2  B16R2.4003  O=C(O)CNC1C(=O)Nc2c1cccc2 269956a_100016091260_200009996675 [1,0,0,0,0,0|1,0,2]=4
3  B18R3.115616  CC(=O)C1CCc2[nH]c3ccccc3c2C1 1458a_200010141132_200000210301 [0,0,0,1,0,0|3,0,0]=4
4  B18R3.115616  [13CH3]C(=O)C1CCc2[nH]c3ccccc3c2C1 1458a_200010141132_200025704644 [0,0,0,1,0,0|3,0,0]=4
5  B18R2.6178  CC(CNC1C(=O)Nc2c1cccc2)C(=O)O 269956a_100000749485_200009996675 [0,0,0,0,0,1|1,0,2]=4
6  B18R2.6178  O=C(O)C(F)CNC1C(=O)Nc2c1cccc2 269956a_100000084737_200009996675 [0,0,0,0,0,1|1,0,2]=4
7  B15R2.6  CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000070787_100011218569 [2,0,0,0,0,0|1,0,0]=3
8  B15R2.6  CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200000210301 [2,0,0,0,0,0|1,0,0]=3
9  B15R2.6  CC(=O)CCc1c[nH]c2c1cccn2 1458a_100000070787_100009895007 [2,0,0,0,0,0|2,0,0]=4
10  B15R2.6  CC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200000210301 [2,0,0,0,0,0|2,0,0]=4
11  B15R2.6  CC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100015343762 [2,0,0,0,0,0|2,0,0]=4
12  B15R2.6  CC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100103153847 [2,0,0,0,0,0|2,0,0]=4
13  B15R2.6  [13CH3]C(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200025704644 [2,0,0,0,0,0|1,0,0]=3
14  B15R2.6  [13CH3]C(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200025704644 [2,0,0,0,0,0|2,0,0]=4
15  B17R2.289  CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N 2230a_100015190000_200000210301 [1,1,0,0,0,0|1,0,0]=3
16  B17R2.289  [13CH3]N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N 2230a_100015190000_200025704644 [1,1,0,0,0,0|1,0,0]=3
17  B17R2.61029  O=C(CO)CCn1c(=O)[nH]c2c1cccc2 1458a_100000210174_203549783246 [1,1,0,0,0,0|1,0,1]=4
18  B17R2.16  C[C@H](NCc1csc2c1cccc2)C(=O)O 269956a_100000743915_200000742921 [1,0,0,0,0,1|2,0,0]=4
19  B17R2.5006  CC(=O)CCc1nc2ccccc2[nH]c1=O 1458a_100000010020_200000210301 [1,0,0,0,0,1|1,0,1]=4
20  B17R2.5006  [13CH3]C(=O)CCc1nc2ccccc2[nH]c1=O 1458a_100000010020_200025704644 [1,0,0,0,0,1|1,0,1]=4
21  B17R2.5025  CC(=O)NCCc1c([nH]c2c1cccc2)C 240690a_100000750322_100015343762 [1,0,0,0,0,1|2,0,0]=4
22  B17R2.5025  CC(=O)NCCc1c([nH]c2c1cccc2)C 527a_100000750322_100103153847 [1,0,0,0,0,1|2,0,0]=4
23  B17R2.5025  CC(=O)NCCc1c([nH]c2c1cccc2)O 271570a_203496583355_200010188624 [1,0,0,0,0,1|1,0,0]=3
24  B19R2.94809  C[C@H](NCc1cc(nc2c1cccc2)O)C(=O)O 269956a_100000743915_100000187625 [0,0,0,0,0,2|1,0,1]=4
25  B19R2.7365  C[C@H](NCc1nc2ccccc2[nH]c1=O)C(=O)O 269956a_100000743915_100000736137 [0,0,0,0,0,2|1,0,1]=4