0 B9R1.13 CC(=O)NC1=NC=CS1 CS-0095600 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.13 O=C(O)CN1C=CN=C1 CS-W011164 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.13 O=C(O)CN1C=CN=N1 CS-0037924 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 CCCC1=NC=CN1 CS-W013667 [1,0,0,0,0,0|2,0,1]=4 4 B8R1.8 CNCC1=CC=CS1 CS-W018825 [1,0,0,0,0,0|1,1,0]=3 5 B8R1.8 CNCC1=CSC=C1 CS-B1142 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.8 NCCC1=CC=CO1 CS-B1143 [1,0,0,0,0,0|1,0,1]=3 7 B8R1.8 OCCC1=CC=CS1 CS-W020421 [1,0,0,0,0,0|0,1,2]=4 8 B10R1.27 COC(=O)CC1=CSC=C1 CS-0019239 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.54 CC(=O)NC1=NC(C)=CS1 CS-W016233 [0,1,0,0,0,0|2,1,0]=4 10 B10R1.54 CC1=CN(CC(=O)O)N=C1 CS-0044023 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.54 CC1=NC(CC(=O)O)=CS1 CS-0037814 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.54 CC1=NC=C(CC(=O)O)S1 CS-B1136 [0,1,0,0,0,0|2,1,0]=4 13 B10R1.54 NC1=NC(CC(=O)O)=CS1 CS-0011440 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.54 NC1=NC(CC(=O)O)=CS1 CS-0042604 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.54 O=C(O)CN1C=C(Br)C=N1 CS-D0543 [0,1,0,0,0,0|3,0,0]=4 16 B8R1.7 CC(=O)C1=CC=NN1 CS-0036771 [0,0,0,0,1,0|2,0,0]=3 17 B8R1.7 CC(=O)C1=CNC=C1 CS-W005542 [0,0,0,0,1,0|2,0,0]=3 18 B8R1.7 NC(=O)C1=NC=CS1 CS-0030426 [0,0,0,0,1,0|2,1,0]=4 19 B8R1.7 O=C(O)C1=CC=CS1 CS-W020070 [0,0,0,0,1,0|1,1,0]=3 20 B8R1.7 O=C(O)C1=COC=N1 CS-W019634 [0,0,0,0,1,0|3,0,0]=4 21 B8R1.7 O=C(O)C1=CSC=N1 CS-W009228 [0,0,0,0,1,0|3,0,0]=4 22 B8R1.7 O=C(O)C1=NC=CN1 CS-W002590 [0,0,0,0,1,0|3,0,0]=4 23 B8R1.7 O=C([O-])C1=CC=CS1 CS-W000340 [0,0,0,0,1,0|1,1,0]=3 24 B10R1.18 CC(=O)NC1=CC=CN=C1 CS-0100272 [0,0,0,0,0,1|2,0,0]=3 25 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [0,0,0,0,0,1|2,0,0]=3 26 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [0,0,0,0,0,1|3,0,0]=4 27 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [0,0,0,0,0,1|2,0,0]=3 28 B7R1.1 CCC1=NN=CO1 CS-0028803 [2,0,0,0,0,0|2,0,0]=4 29 B7R1.1 ClCC1=NC=CO1 CS-D0011 [2,0,0,0,0,0|2,0,0]=4 30 B7R1.1 N#CC1=CC=CO1 CS-W016667 [2,0,0,0,0,0|1,0,1]=4 31 B7R1.1 NCC1=CC=CS1 CS-W007649 [2,0,0,0,0,0|1,1,0]=4 32 B7R1.1 O=CC1=CNC=C1 CS-D1061 [2,0,0,0,0,0|2,0,0]=4 33 B7R1.1 O=CC1=CNC=N1 CS-D1058 [2,0,0,0,0,0|2,0,0]=4 34 B7R1.1 O=CC1=COC=C1 CS-M0782 [2,0,0,0,0,0|2,0,0]=4 35 B7R1.1 O=CC1=CSC=N1 CS-W007683 [2,0,0,0,0,0|2,0,0]=4 36 B7R1.1 O=CC1=NC=CN1 CS-W007321 [2,0,0,0,0,0|2,0,0]=4 37 B7R1.1 OCC1=CC=NO1 CS-D0212 [2,0,0,0,0,0|1,0,1]=4 38 B9R1.19 CS(=O)(=O)C1=CC=CS1 CS-0053912 [0,1,0,0,1,0|1,1,0]=4 39 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS-0033728 [0,1,0,0,1,0|0,1,0]=3 40 B9R1.35 CC(=O)C1=CSC(N)=N1 CS-0031411 [0,1,0,0,1,0|2,0,0]=4 41 B9R1.35 CC1=CC=C(C(=O)O)S1 CS-W004720 [0,1,0,0,1,0|1,1,0]=4 42 B9R1.35 NC(=O)C1=CC=C(Br)S1 CS-W015353 [0,1,0,0,1,0|1,1,0]=4 43 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS-B0139 [0,1,0,0,1,0|1,1,0]=4 44 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS-W005615 [0,1,0,0,1,0|1,0,0]=3 45 B9R1.41 CC1=C(C(=O)O)NC=C1 CS-0036145 [0,1,0,0,1,0|2,0,0]=4 46 B9R1.41 CC1=C(C(=O)O)OC=C1 CS-0059276 [0,1,0,0,1,0|1,0,0]=3 47 B9R1.41 CC1=C(C(=O)O)OC=N1 CS-W008834 [0,1,0,0,1,0|2,0,0]=4 48 B11R1.20 CC(=O)NC1=NC=C(Br)C=N1 CS-M2506 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 CS-M2732 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS-0042617 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS-W018535 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS-D0933 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.40 COC(=O)CC1=CC=CC=C1 CS-W018528 [0,1,0,0,0,1|1,0,0]=3 54 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CS-D0368 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.40 O=C(CCl)NC1=NC=CC=N1 CS-B1375 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.86 CC(=O)CC1=CC=CC=C1Cl CS-0043797 [0,1,0,0,0,1|1,0,0]=3 57 B11R1.86 O=C(O)CC1=CC=CC=C1Br CS-W007544 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS-B0132 [0,1,0,0,0,1|1,0,0]=3 59 B11R1.157 CC(=O)NC1=CC=NC(=O)N1 CS-W010939 [0,1,0,0,0,1|2,0,0]=4 60 B11R1.157 O=C(O)CC1=CC(Br)=NC=C1 CS-0102175 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS-W010777 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 CS-W004799 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O CS-M2655 [0,1,0,0,0,1|1,1,0]=4 64 B11R1.35 [C@@H](N)(CC1=CC=CO1)C(=O)O CS-0043946 [0,1,0,0,0,1|1,0,0]=3 65 B9R1.6 CC(=O)C1=CC=CN=C1 CS-W008604 [0,0,1,1,0,0|1,0,1]=4 66 B11R2.10 O=C1CC2=CC=CC=C2O1 CS-M0764 [0,0,0,1,0,1|2,0,0]=4 67 B11R2.10 O=C1CC2=CC=CN=C2N1 CS-W019704 [0,0,0,1,0,1|2,0,0]=4 68 B11R2.10 O=C1CN2C=CC=CC2=N1 CS-0005554 [0,0,0,1,0,1|2,0,0]=4 69 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [0,0,0,0,0,2|1,0,1]=4 70 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [0,0,0,0,0,2|2,0,0]=4 71 B11R1.91 O=C(O)CSC1=CC=NC=C1 CS-W016033 [0,0,0,0,0,2|2,0,0]=4