0 B9R1.13 O=C(O)CC1=CC=NN1 SPC-v144 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.13 O=C(O)CC1=NN=CN1 SPC-p063 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 SPC-u508 [0,1,0,0,0,0|1,1,0]=3 3 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 SPC-k419 [0,1,0,0,0,0|2,0,1]=4 4 B10R1.54 CN1C=NC(CC(=O)O)=C1 SPC-q884 [0,1,0,0,0,0|3,0,0]=4 5 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 SPC-m710 [0,1,0,0,0,0|2,1,0]=4 6 B10R2.71 O=C1CC2C=CC(C1)O2 SPC-g990 [0,0,0,1,0,0|0,0,2]=3 7 B8R1.7 CC(=O)C1=CNN=C1 SPC-h422 [0,0,0,0,1,0|3,0,0]=4 8 B8R1.7 CC(=O)C1=CSC=C1 SPC-g143 [0,0,0,0,1,0|2,0,0]=3 9 B8R1.7 O=C(O)C1=CC=CN1 SPC-g146 [0,0,0,0,1,0|2,0,0]=3 10 B8R1.7 O=C(O)C1=COC=C1 SPC-n400 [0,0,0,0,1,0|3,0,0]=4 11 B8R1.7 O=C(O)C1=COC=N1 SPC-g687 [0,0,0,0,1,0|3,0,0]=4 12 B8R1.7 O=C(O)C1=NNC=C1 SPC-g199 [0,0,0,0,1,0|3,0,0]=4 13 B10R1.18 O=C(O)CC1=CN=NC=C1 SPC-j090 [0,0,0,0,0,1|3,0,0]=4 14 B10R1.18 O=C([O-])CC1=NC=CC=N1 SPC-j099 [0,0,0,0,0,1|2,0,0]=3 15 B10R1.66 O=C(O)\C=C\C1=CC=CS1 SPC-k420 [0,0,0,0,0,1|1,1,1]=4 16 B7R1.1 NCC1=CN=CO1 SPC-u502 [2,0,0,0,0,0|2,0,0]=4 17 B7R1.1 O=CC1=CC=NN1 SPC-p008 [2,0,0,0,0,0|2,0,0]=4 18 B7R1.1 O=CC1=CN=CS1 SPC-s113 [2,0,0,0,0,0|1,1,0]=4 19 B7R1.1 O=CC1=COC=N1 SPC-m897 [2,0,0,0,0,0|2,0,0]=4 20 B7R1.1 O=CC1=CSC=C1 SPC-g519 [2,0,0,0,0,0|2,0,0]=4 21 B7R1.1 O=CC1=NC=CN1 SPC-n997 [2,0,0,0,0,0|2,0,0]=4 22 B7R1.1 O=CC1=NC=CS1 SPC-s112 [2,0,0,0,0,0|1,1,0]=4 23 B9R1.35 CC(=O)C1=CC(N)=NN1 SPC-n888 [0,1,0,0,1,0|2,0,0]=4 24 B9R1.35 CC(=O)C1=CN=C(N)S1 SPC-n879 [0,1,0,0,1,0|1,1,0]=4 25 B9R1.35 CC(=O)C1=CSC(Cl)=C1 SPC-h825 [0,1,0,0,1,0|2,0,0]=4 26 B9R1.35 CC(=O)C1=NC=C(Br)S1 SPC-j787 [0,1,0,0,1,0|1,1,0]=4 27 B9R1.35 CC(=O)N1C=C(I)C=N1 SPC-g604 [0,1,0,0,1,0|2,0,0]=4 28 B9R1.35 CC1=CN=C(C(=O)[O-])O1 SPC-i906 [0,1,0,0,1,0|2,0,0]=4 29 B9R1.35 CC1=CSC(C(=O)O)=C1 SPC-n156 [0,1,0,0,1,0|1,1,0]=4 30 B9R1.35 NC(=O)C1=CC=C(Br)N1 SPC-m101 [0,1,0,0,1,0|2,0,0]=4 31 B9R1.35 O=C(O)C1=CC=C(Cl)S1 SPC-g094 [0,1,0,0,1,0|1,1,0]=4 32 B9R1.35 O=C(O)C1=CC=C(F)S1 SPC-j710 [0,1,0,0,1,0|1,1,0]=4 33 B9R1.41 CC(=O)C1=NC=CN1C SPC-h495 [0,1,0,0,1,0|2,0,0]=4 34 B9R1.41 NC(=O)C1=CC=CN1N SPC-r256 [0,1,0,0,1,0|2,0,0]=4 35 B9R1.41 O=C(O)C1=C(Br)C=CS1 SPC-g312 [0,1,0,0,1,0|1,1,0]=4 36 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 SPC-j674 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 SPC-r243 [0,1,0,0,0,1|2,0,0]=4 38 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 SPC-m376 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.20 O=C([O-])CC1=NC=C(Br)C=N1 SPC-r250 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.40 COC(=O)CC1=CN=NC=C1 SPC-j127 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.40 COC(=O)CC1=NC=CC=C1 SPC-j372 [0,1,0,0,0,1|1,0,0]=3 42 B11R1.40 COC(=O)CC1=NC=NC=C1 SPC-v636 [0,1,0,0,0,1|1,0,0]=3 43 B11R1.86 CC(=O)OC1=CC=CN=C1Br SPC-m968 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 SPC-k819 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.86 O=C(O)CC1=CC=CN=C1Cl SPC-h555 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.86 O=C(O)CC1=NC=CC=C1O SPC-t979 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.86 O=C(O)CC1=NC=CN=C1Cl SPC-m049 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 SPC-r232 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 SPC-m551 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 SPC-m615 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.39 COC(=O)CC1=CN=C(N)S1 SPC-h466 [0,2,0,0,0,0|1,1,0]=4 52 B11R1.39 COC(=O)CC1=CN=C(N)S1 SPC-r364 [0,2,0,0,0,0|1,1,0]=4 53 B11R1.39 COC(=O)CC1=NNC(C)=C1 SPC-t419 [0,2,0,0,0,0|2,0,0]=4 54 B11R2.10 O=C1CC2=C(C=CN=C2)N1 SPC-j040 [0,0,0,1,0,1|2,0,0]=4 55 B11R2.10 O=C1CC2=C(C=NC=C2)N1 SPC-j324 [0,0,0,1,0,1|2,0,0]=4 56 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-g779 [0,0,0,1,0,1|2,0,0]=4 57 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-j021 [0,0,0,1,0,1|2,0,0]=4 58 B11R2.10 O=C1CC2=C(N=CN=C2)N1 SPC-i211 [0,0,0,1,0,1|2,0,0]=4 59 B9R1.8 CNCC1=NC=CC=N1 SPC-q184 [1,0,0,0,0,1|2,0,0]=4 60 B11R1.91 CC(=O)CCC1=CC=CC=C1 SPC-k266 [0,0,0,0,0,2|1,0,0]=3 61 B11R1.91 O=C(O)CCC1=NN=CC=C1 SPC-v656 [0,0,0,0,0,2|2,0,0]=4