0 B12R2.18 BrC1=C(Br)C2=CC=CC=C2S1 CS-W005898 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.18 CC1=C(Br)C2=CC=CN=C2N1 CS-B0573 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.18 CN1C(=O)NC2=C1C=NC=C2 CS-0086207 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.18 CN1C(=O)NC2=NC=CC=C21 CS-0086354 [0,0,0,0,0,0|2,0,0]=2 4 B11R2.1 BrC1=CNC2=CC=NC=C12 CS-W006499 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.1 BrC1=NNC2=CC=CC=C21 CS-W007434 [1,0,0,0,0,0|3,0,0]=4 6 B11R2.1 IC1=CNC2=CC=CN=C12 CS-W021942 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.10 BrC1=CC2=C(C=NC=C2)N1 CS-WAA0095 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.10 BrC1=CC2=CC=CN=C2N1 CS-B0559 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.10 IC1=NC2=CC=CC=C2S1 CS-W005648 [1,0,0,0,0,0|2,0,1]=4 10 B11R2.10 O=C1NC2=C(C=NC=C2)N1 CS-W021327 [1,0,0,0,0,0|1,0,0]=2 11 B11R2.10 OC1=NC2=CC=CC=C2N1 CS-W008003 [1,0,0,0,0,0|0,0,2]=3 12 B11R2.10 S=C1NC2=NC=CC=C2S1 CS-0102747 [1,0,0,0,0,0|2,1,0]=4 13 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 CS-0041558 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.359 CC1(C)C(=O)NC2=CC=CN=C21 CS-0047489 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.3028 CC1C(=O)NC2=CC=C(Br)C=C21 CS-0036961 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 CS-0045288 [0,1,0,0,0,0|1,0,1]=3 17 B13R2.4825 CC1C(=O)NC2=C1C=CC=C2Br CS-0055872 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.4856 O=C1NC2=C(C1=O)C(Cl)=CC=C2 CS-W002403 [0,1,0,0,0,0|1,0,1]=3 19 B13R2.5190 CC1=CC2=C(C=CC(O)=C2)N1C CS-0099209 [0,1,0,0,0,0|3,0,0]=4 20 B13R2.5190 CC1=NC2=CC(N)=CC=C2N1C CS-0097055 [0,1,0,0,0,0|2,0,1]=4 21 B13R2.5190 CC1C(=O)NC2=CC(Br)=CC=C21 CS-0037724 [0,1,0,0,0,0|2,0,0]=3 22 B13R2.5190 CN1C(=O)CC2=CC(O)=CC=C21 CS-0036169 [0,1,0,0,0,0|2,0,0]=3 23 B13R2.5190 O=C1NC2=C(C=CC(I)=C2)C1=O CS-0037862 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CS-W021161 [0,0,1,0,0,0|2,0,0]=3 25 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 CS-0040444 [0,0,1,0,0,0|3,0,0]=4 26 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 CS-W023164 [0,0,0,0,0,1|2,0,0]=3 27 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 CS-W005491 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.32 OC1=C2C=CC=CC2=NN=C1Br CS-0041953 [0,0,0,0,0,1|2,0,1]=4 29 B13R2.328 CC1=NC2=CC=CC=C2C(O)=N1 CS-0043891 [0,0,0,0,0,1|2,0,1]=4 30 B13R2.328 NC1=NC(=O)C2=C(C=CC=C2)N1 CS-0036049 [0,0,0,0,0,1|2,0,1]=4 31 B13R2.328 NC1=NC2=CC=CC=C2C(O)=C1 CS-W016163 [0,0,0,0,0,1|2,0,1]=4 32 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)N1 CS-0097773 [0,0,0,0,0,1|2,0,0]=3 33 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 CS-W020079 [0,0,0,0,0,1|1,0,0]=2 34 B13R2.328 OC1=CC(O)=C2C=CC=CC2=C1 CS-0010073 [0,0,0,0,0,1|2,0,1]=4 35 B10R1.20 C#CC1=CC=CC=C1C=O CS-W005336 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.20 CCC1=CC=CC=C1C=O CS-W007787 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.20 CNC1=CC=CC=C1NC CS-W000645 [1,0,1,0,0,0|1,0,1]=4 38 B10R1.61 CN(C)C1=CC=CC=C1N CS-W008997 [1,0,1,0,0,0|1,0,1]=4 39 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 CS-0079928 [0,1,1,0,0,0|2,0,0]=4 40 B12R1.49 N=C(CC1=CC=C(O)C=C1)NO CS-0037137 [0,1,1,0,0,0|2,0,0]=4 41 B12R1.50 COC(=O)NC1=CC=CC(Br)=C1 CS-0037970 [0,1,1,0,0,0|2,0,0]=4 42 B12R2.1 OCC1=CNC2=C1C=CC=N2 CS-0037417 [1,1,0,0,0,0|2,0,0]=4 43 B12R2.132 CN1C=CC2=C1C=C(Br)C=C2 CS-0097300 [1,1,0,0,0,0|2,0,0]=4 44 B12R2.196 CC1=CNC2=C(Br)C=CC=C12 CS-0093897 [1,1,0,0,0,0|2,0,0]=4 45 B12R2.203 CC1=CNC2=CC=CC(O)=C12 CS-0038575 [1,1,0,0,0,0|2,0,0]=4 46 B12R2.2028 CN1C=[N+](C)C2=CC=CC=C21 CS-0091484 [1,1,0,0,0,0|1,0,1]=4 47 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS-W004828 [1,1,0,0,0,0|1,0,1]=4 48 B12R2.95 O=S1(=O)CC2=C(C=CC=C2)N1 CS-0038994 [1,1,0,0,0,0|2,0,0]=4 49 B12R2.202 CC1=CC2=C(C=CC=C2O)N1 CS-W008342 [1,1,0,0,0,0|2,0,0]=4 50 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 CS-0004789 [1,1,0,0,0,0|2,0,0]=4 51 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 CS-0032315 [1,1,0,0,0,0|1,0,0]=3 52 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 CS-0051004 [1,1,0,0,0,0|2,0,0]=4 53 B12R2.202 O=C1NC2=CC=CC(Cl)=C2S1 CS-0043170 [1,1,0,0,0,0|1,0,0]=3 54 B12R2.202 S=C1NC2=CC=CC(Cl)=C2O1 CS-0064118 [1,1,0,0,0,0|1,1,0]=4 55 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 CS-0027056 [1,1,0,0,0,0|2,0,0]=4 56 B12R2.606 CC1=CC2=C(C=CC(F)=C2)N1 CS-W007738 [1,1,0,0,0,0|2,0,0]=4 57 B12R2.606 CC1=NC2=C(C=C(F)C=C2)N1 CS-W007029 [1,1,0,0,0,0|1,0,1]=4 58 B12R2.606 ClC1=NC2=CC=C(Br)C=C2N1 CS-WAA0077 [1,1,0,0,0,0|1,0,1]=4 59 B12R2.606 FC1=CC2=C(C=C1)N=C(S)N2 CS-0043802 [1,1,0,0,0,0|0,1,1]=4 60 B12R2.606 FC1=CC=C2OC(=S)NC2=C1 CS-W005135 [1,1,0,0,0,0|1,1,0]=4 61 B12R2.606 N=C1NC2=C(C=C(Br)C=C2)O1 CS-W006120 [1,1,0,0,0,0|2,0,0]=4 62 B12R2.606 NC1=CN=C2NC(=O)CC2=C1 CS-B0574 [1,1,0,0,0,0|2,0,0]=4 63 B12R2.606 NC1=NC2=CC=C(Br)C=C2N1 CS-B1190 [1,1,0,0,0,0|1,0,1]=4 64 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 CS-0054232 [1,1,0,0,0,0|1,0,0]=3 65 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 CS-B0502 [1,1,0,0,0,0|2,0,0]=4 66 B12R2.606 O=C1CC2=CC(I)=CC=C2N1 CS-M1385 [1,1,0,0,0,0|1,0,0]=3 67 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 CS-W009255 [1,1,0,0,0,0|2,0,0]=4 68 B12R2.606 O=C1NC2=CC(Br)=CC=C2S1 CS-0112390 [1,1,0,0,0,0|1,0,0]=3 69 B12R2.606 O=C1NC2=CC=C(F)C=C2N1 CS-W020605 [1,1,0,0,0,0|0,0,0]=2 70 B12R2.606 S=C1NC2=CC(Br)=CC=C2O1 CS-0041844 [1,1,0,0,0,0|1,1,0]=4 71 B14R2.92 O=CC1=C(O)C2=CC=CC=C2C=C1 CS-0060583 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.8045 CC1=C2NC(=O)OC(=O)C2=CC=C1 CS-0034436 [0,1,0,0,0,1|1,0,1]=4 73 B14R2.8045 O=C1NC(=O)C2=C(N1)C(I)=CC=C2 CS-0039073 [0,1,0,0,0,1|1,0,1]=4 74 B14R2.8235 O=C1C=C(O)C2=CC(F)=CC=C2O1 CS-0073653 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.28480 O=C1NC(=O)C2=C(F)C=CC=C2N1 CS-0045378 [0,1,0,0,0,1|1,0,1]=4 76 B14R2.28480 O=C1NC2=CC=CC(Br)=C2C(=O)O1 CS-0041521 [0,1,0,0,0,1|1,0,1]=4 77 B14R2.29365 CC1=CC(=O)NC2=CC(Br)=CC=C12 CS-M3671 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.29365 CC1=NC2=C(C=C1)C(O)=CC(=O)N2 CS-B1689 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.29365 O=C1NC2=CC(Br)=CC=C2C(=O)O1 CS-0030378 [0,1,0,0,0,1|1,0,1]=4 80 B14R2.8239 CC1OC2=CC=C(Br)C=C2NC1=O CS-0101389 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F CS-0068200 [0,1,0,0,0,1|2,0,0]=4 82 B14R2.450 CN1C2=CC=CC=C2N=C1C(=O)O CS-W019148 [0,2,0,0,0,0|1,0,1]=4 83 B14R2.19008 N\N=C1/C(=O)NC2=C1C=C(F)C=C2 CS-0115284 [0,2,0,0,0,0|2,0,0]=4 84 B14R2.4504 CN1C2=CC(Br)=CC=C2NS1(=O)=O CS-0095520 [0,2,0,0,0,0|2,0,0]=4 85 B14R2.8716 CN1C(=O)N(C)C2=C1C=CC(N)=C2 CS-0067122 [0,2,0,0,0,0|1,0,0]=3 86 B14R2.9184 O=C1NC2=C(C=C(F)C=C2Cl)C1=O CS-0103497 [0,2,0,0,0,0|1,0,1]=4 87 B12R2.23 O=C1CCN1C2=CC=CC=C2 CS-0047218 [0,0,1,1,0,0|2,0,0]=4 88 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CS-W005598 [0,0,1,1,0,0|2,0,0]=4 89 B12R2.24 O=C1COC2=NC=CC=C2N1 CS-0030376 [0,0,1,1,0,0|2,0,0]=4 90 B10R2.2 O=C1NC2=C(N1)SC=C2 CS-0095545 [1,0,0,0,1,0|1,0,0]=3