0 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 020217 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.531 COC(=O)C1=CC2=C(C=CS2)S1 241858 [0,1,0,0,0,0|2,0,0]=3 2 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CO2 522021 [0,1,0,0,0,0|1,1,0]=3 3 B11R1.35 N[C@@H](CC1=CN=CN1)C(=O)O 104776 [0,0,1,0,0,0|1,0,2]=4 4 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=NN2 058473 [0,0,0,0,0,1|3,0,0]=4 5 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 047688 [0,0,0,0,0,1|2,0,1]=4 6 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 005895 [0,0,0,0,0,1|3,0,0]=4 7 B13R2.430 O=C(O)C1=CC2=NSN=C2C=C1 017046 [0,0,0,0,0,1|3,0,0]=4 8 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 023377 [0,0,0,0,0,1|2,0,1]=4 9 B13R2.430 O=C(O)C1=CC=C2N=CSC2=C1 005892 [0,0,0,0,0,1|1,0,0]=2 10 B13R2.430 O=C(O)C1=CC=C2NC=NC2=C1 066310 [0,0,0,0,0,1|2,0,0]=3 11 B13R2.430 O=C(O)C1=CC=C2SC=CC2=C1 325184 [0,0,0,0,0,1|2,0,0]=3 12 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 066307 [0,0,0,0,0,1|1,0,0]=2 13 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 066553 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.430 O=[N+]([O-])C1=CC=C2N=CSC2=C1 076761 [0,0,0,0,0,1|2,0,1]=4 15 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 043684 [0,0,0,0,0,1|2,0,0]=3 16 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 018198 [0,0,0,0,0,1|3,0,0]=4 17 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 079065 [0,0,0,0,0,1|2,0,0]=3 18 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 019325 [0,0,0,0,0,1|3,0,0]=4 19 B10R1.66 O=C(O)\C=C\C1=CC=CO1 099099 [1,0,1,0,0,0|1,1,0]=4 20 B10R1.66 O=C(O)\C=C\C1=CC=CS1 018999 [1,0,1,0,0,0|1,0,0]=3 21 B10R1.31 O=CC1=CC=C(C(=O)O)O1 009253 [1,0,1,0,0,0|1,1,0]=4 22 B10R1.31 O=CC1=CC=C(C(=O)O)S1 009254 [1,0,1,0,0,0|1,1,0]=4 23 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2N1 055235 [0,1,0,0,0,1|2,0,0]=4 24 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2S1 316019 [0,1,0,0,0,1|1,0,0]=3 25 B14R2.601 NC1=NC2=C(C=C(C(=O)O)C=C2)S1 027696 [0,1,0,0,0,1|1,0,0]=3 26 B14R2.601 O=C(O)C1=CC=C2N=C(Br)SC2=C1 079892 [0,1,0,0,0,1|1,0,0]=3 27 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 067042 [0,1,0,0,0,1|2,0,0]=4 28 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 077339 [0,1,0,0,0,1|2,0,0]=4 29 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2N1 023842 [0,1,0,0,0,1|2,0,0]=4 30 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 047899 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 077200 [0,1,0,0,0,1|2,0,0]=4 32 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 010193 [0,1,0,0,0,1|2,0,0]=4 33 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 321377 [0,1,0,0,0,1|2,0,0]=4 34 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 042985 [0,1,0,0,0,1|1,0,0]=3 35 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)N1 079941 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.781 O=C(O)C1=CC2=C(C=C1)C=NC=C2 223438 [0,0,0,0,0,2|2,0,0]=4 37 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 057738 [0,0,0,0,0,2|2,0,0]=4 38 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=N1 023689 [0,0,0,0,0,2|1,0,1]=4