0  B12R2.252  O=C(O)C1=CC2=C(SN=C2)S1 D86311 [0,0,0,0,0,0|3,0,0]=3
1  B12R2.252  O=[N+]([O-])C1=CC2=C(C=CS2)S1 E72346 [0,0,0,0,0,0|2,0,1]=3
2  B13R2.2334  CN1C(C(=O)O)=CC2=C1N=CS2 P19403 [0,1,0,0,0,0|1,0,0]=2
3  B13R2.2334  O=C(O)C1=CC2=CC=CN2C1=O I10980 [0,1,0,0,0,0|3,0,0]=4
4  B11R1.35  N[C@@H](CC1=CC=CO1)C(=O)O F12115 [0,0,1,0,0,0|0,1,2]=4
5  B11R1.35  N[C@@H](CC1=CSC=C1)C(=O)O A50229 [0,0,1,0,0,0|2,0,1]=4
6  B13R2.430  NC(=O)C1=CC2=C(C=CO2)C=C1 SC5129 [0,0,0,0,0,1|2,1,0]=4
7  B13R2.430  O=C(O)C1=CN2C=CN=C2C=C1 F52390 [0,0,0,0,0,1|3,0,0]=4
8  B13R2.435  CC(=O)C1=CC2=C(C=CC=C2)S1 50326 [0,0,0,0,0,1|3,0,0]=4
9  B10R1.66  O=C(O)\C=C/C1=CC=CS1 D86404 [1,0,1,0,0,0|0,0,0]=2
10  B10R1.66  O=C(O)\C=C\C1=CC=CN1 D87751 [1,0,1,0,0,0|1,0,0]=3
11  B12R1.104  CC1=CC=C(\C=C(/C)C(=O)O)O1 E72362 [0,1,1,0,0,0|1,1,0]=4
12  B12R1.104  N[C@@H](CC1=CC=C(Br)S1)C(=O)O A50246 [0,1,1,0,0,0|0,0,2]=4
13  B12R1.104  N[C@@H](CC1=CC=C(Cl)S1)C(=O)O A50380 [0,1,1,0,0,0|0,0,2]=4
14  B12R1.145  CC1=C(C[C@H](N)C(=O)O)SC=C1 A50383 [0,1,1,0,0,0|0,0,2]=4
15  B12R1.179  COC(=O)C1=CC(SC#N)=CN1 D87095 [0,1,1,0,0,0|1,0,1]=4
16  B12R2.30  CN1C(CO)=CC2=C1C=CS2 AT18498 [1,1,0,0,0,0|0,0,1]=3
17  B14R2.601  CC1=NC2=C(C=C(C(=O)O)C=C2)S1 86770 [0,1,0,0,0,1|2,0,0]=4
18  B14R2.5998  O=C(O)C1=CN=C2SC=CN2C1=O W10233 [0,1,0,0,0,1|2,0,0]=4
19  B14R2.972  COC(=O)C1=CC2=CC=CN=C2S1 68598 [0,1,0,0,0,1|2,0,0]=4
20  B14R2.972  COC(=O)C1=CC2=NC=CN=C2S1 O11980 [0,1,0,0,0,1|2,0,0]=4
21  B14R2.4529  CC1=CC2=C(C=C1)NC(C(=O)O)=N2 D82194 [0,1,0,0,0,1|2,0,0]=4
22  B14R2.4529  O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 D85343 [0,1,0,0,0,1|2,0,0]=4
23  B14R2.4529  O=C(O)C1=NC2=C(C=CC(Cl)=C2)N1 F14476 [0,1,0,0,0,1|2,0,0]=4
24  B14R2.7969  CC1=CC=CC2=C1OC(C(=O)O)=C2 95737 [0,1,0,0,0,1|2,0,0]=4
25  B14R2.7969  O=C(O)C1=CC2=CC=CC(F)=C2N1 25078 [0,1,0,0,0,1|1,0,0]=3
26  B12R1.43  C\C(=C/C1=CC=CC=C1)C(=O)O 78150 [0,0,1,0,0,1|2,0,0]=4
27  B12R1.125  NC1=C(C=CC(=O)O)C=CC=N1 77496 [0,0,1,0,0,1|1,0,0]=3
28  B12R1.125  O=C(O)\C=C\C1=C(F)C=CC=C1 77939 [0,0,1,0,0,1|2,0,0]=4