0 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 P8178 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 P8178 [0,0,0,0,0,0|1,0,2]=3 2 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 B8679 [0,1,0,0,0,0|2,0,1]=4 3 B14R2.2 CC(=O)CC1=CNC2=C1C=CC=C2 I7953 [0,0,0,1,0,0|2,0,1]=4 4 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,1,0,0|1,0,2]=4 5 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,1,0,0|1,0,2]=4 6 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,1,0,0|1,0,2]=4 7 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,1,0,0|1,0,2]=4 8 B14R2.31359 CC(=O)C1=CC=CC2=CC=CC=C21 A1585 [0,0,0,1,0,0|1,0,1]=3 9 B14R2.31359 NC(=O)C1=C2C=CC=CC2=CC=C1 N7865 [0,0,0,1,0,0|2,0,1]=4 10 B14R2.31359 O=C(Cl)C1=C2C=CC=CC2=CC=C1 N8625 [0,0,0,1,0,0|2,0,1]=4 11 B14R2.31359 O=C(O)C1=CC=CC2=CC=CC=C21 N11374 [0,0,0,1,0,0|2,0,1]=4 12 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 I0191 [0,0,0,1,0,0|3,0,0]=4 13 B12R1.252 CC(=O)CSCC1=CC=CC=C1 B8221 [0,0,0,0,1,0|1,0,1]=3 14 B12R1.252 NC(=O)CNCC1=CC=CC=C1 B13928 [0,0,0,0,1,0|2,0,1]=4 15 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B3212 [0,0,0,0,1,0|2,0,1]=4 16 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B9099 [0,0,0,0,1,0|2,0,1]=4 17 B11R1.28 CCO\C=N\C1=CC=CC=C1 E19308 [2,0,0,0,0,0|1,0,1]=4 18 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 B0903 [0,1,0,0,1,0|1,0,1]=4 19 B13R1.351 N[C@@H](\C=C\C1=CC=CC=C1)C(=O)O A12821 [0,1,0,0,1,0|1,0,0]=3 20 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 P17987 [1,0,0,1,0,0|1,0,1]=4 21 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 N0149 [1,0,0,1,0,0|1,0,1]=4 22 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P5888 [0,0,0,1,1,0|1,0,1]=4 23 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,1,1,0|1,0,1]=4 24 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,1,1,0|1,0,1]=4 25 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 A7482 [0,0,0,1,1,0|1,0,1]=4 26 B15R2.6 O=C(O)CCC1=CNC2=CC=CC=C12 I5033 [0,0,0,1,0,1|2,0,0]=4 27 B15R2.68122 CC(=O)NC1=CC=CC2=CC=CC=C21 A1658 [0,0,0,1,0,1|1,0,1]=4 28 B15R2.377 CC(=O)OC1=CNC2=C1C=CC(Br)=C2 B19433 [0,1,0,1,0,0|1,0,1]=4 29 B15R2.9410 CC(=O)OC1=CNC2=C1C=C(Br)C=C2 A19393 [0,1,0,1,0,0|1,0,1]=4 30 B11R1.91 O=C(Cl)\C=C\C1=CC=CN=C1 P4462 [0,0,0,0,2,0|2,0,0]=4 31 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [0,0,0,0,2,0|1,0,1]=4 32 B11R1.91 O=C(O)CNC1=CC=CC=C1 P17764 [0,0,0,0,2,0|2,0,0]=4 33 B11R1.91 O=C(O)CSC1=CC=CC=C1 T3907 [0,0,0,0,2,0|2,0,0]=4 34 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P14394 [0,0,0,0,2,0|2,0,0]=4 35 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 P14396 [0,0,0,0,2,0|2,0,0]=4 36 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 S7823 [0,0,0,0,2,0|1,0,0]=3