0 B9R1.35 O=C(O)C1=CC=C(Br)N1 M29567 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CC1=CC=C(C=O)O1 M18910 [1,0,0,0,0,0|3,0,0]=4 2 B8R1.7 CC(=O)C1=NC=CS1 M24117 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.7 O=C(O)C1=NC=NN1 M14652 [1,0,0,0,0,0|1,0,2]=4 4 B8R1.7 O=C(O)c1ccco1 M20299 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.7 O=C(O)c1ccoc1 M20037 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.7 O=C(O)c1cnsc1 M20297 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.14 COC(=O)C1=CC(Br)=CN1 M29527 [0,1,0,0,0,0|2,0,1]=4 8 B10R1.31 O=C(O)c1ccc(CO)o1 M20048 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.58 O=C(O)C1=CC(Br)=C(Br)N1 M29536 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.9 COC(=O)\C=C\C(=O)O M26304 [0,0,1,0,0,0|3,0,0]=4 11 B8R0.23 C\C(=C/C(=O)O)C(=O)O M22873 [0,0,1,0,0,0|3,0,0]=4 12 B8R0.23 C\C(=C\C(=O)O)C(=O)O M18656 [0,0,1,0,0,0|3,0,0]=4 13 B8R0.28 CC(=O)NCCC(=O)O M13947 [0,0,1,0,0,0|2,0,1]=4 14 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [0,0,0,0,0,1|3,0,0]=4 15 B10R1.13 Cc1ccc(C(=O)O)cc1 M22657 [0,0,0,0,0,1|2,0,0]=3 16 B10R1.13 NC1=CC=C(C(=O)O)C=C1 M12088 [0,0,0,0,0,1|3,0,0]=4 17 B10R1.13 Nc1ccc(C(=O)O)cn1 M21251 [0,0,0,0,0,1|2,0,1]=4 18 B10R1.13 O=C(O)C1=CC=C(O)C=C1 M19308 [0,0,0,0,0,1|3,0,0]=4 19 B10R1.13 O=C(O)c1ccc(O)nc1 M19612 [0,0,0,0,0,1|2,0,1]=4 20 B10R1.13 O=C1C=CC(C(=O)O)=CO1 M21279 [0,0,0,0,0,1|3,0,0]=4 21 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 M17696 [0,0,0,0,0,1|2,0,1]=4 22 B10R1.113 C[n+]1cccc(C(=O)O)c1 M18902 [0,0,0,0,0,1|3,0,0]=4 23 B10R1.113 Cc1cccc(C(=O)Cl)c1 M21101 [0,0,0,0,0,1|3,0,0]=4 24 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 M29526 [0,0,0,0,0,1|3,0,0]=4 25 B10R1.113 O=C(O)c1cccc(O)c1 M19679 [0,0,0,0,0,1|3,0,0]=4 26 B7R0.4 C\C=C\C=C\C(=O)O M21338 [1,0,1,0,0,0|2,0,0]=4 27 B7R0.5 CC\C=C(/C)C(=O)O M21395 [1,0,1,0,0,0|1,0,1]=4 28 B7R0.6 NC(=O)\C=C/C(=O)O M19628 [1,0,1,0,0,0|1,0,0]=3 29 B7R0.6 O=C(O)\C=C/C(=O)O M19545 [1,0,1,0,0,0|2,0,0]=4 30 B7R0.6 O=C(O)\C=C\C(=O)O M17809 [1,0,1,0,0,0|2,0,0]=4 31 B7R0.6 O=C(O)\C=C\C(=O)O M18226 [1,0,1,0,0,0|2,0,0]=4 32 B7R1.1 O=Cc1ccco1 M20306 [2,0,0,0,0,0|2,0,0]=4 33 B7R1.2 CC1=CC(N)=NO1 M10297 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.11 COC(=O)c1ccco1 M21355 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.3 COC1=CC=C(C(=O)O)C=C1 M17742 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 M15072 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)N=C1 M14755 [0,1,0,0,0,1|1,0,0]=3 38 B11R1.21 Cc1ccc(C(=O)O)cc1C M27053 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.21 Cn1cc(C(=O)O)ccc1=O M20579 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.22 COC(=O)c1ccc(O)cn1 M28296 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.166 Cc1ccc(C(=O)O)c(O)c1 M27523 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.23 COC(=O)C1=CC(C)=CN=C1 M13906 [0,1,0,0,0,1|1,0,0]=3 43 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 M15504 [0,1,0,0,0,1|1,0,1]=4 44 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 M16090 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.266 COc1cccc(C(=O)O)c1 M20595 [0,1,0,0,0,1|2,0,0]=4 46 B9R1.6 O=C(O)C1=CCCNC1 M20972 [0,0,1,1,0,0|1,0,1]=4 47 B9R1.6 O=C(O)C1=NC=CN=C1 M16905 [0,0,1,1,0,0|2,0,0]=4 48 B9R1.6 O=C(O)c1ccccn1 M19678 [0,0,1,1,0,0|1,0,1]=4