0 B12R1.286 COC1=C(F)C=CC(CCN)=C1 AT23332 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.286 O=CC1=C(Cl)C=CC(CCO)=C1 D72239 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.189 C#CCC1=CC=CC(OC)=C1 D75650 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.189 COC1=NC(CCN)=CC=C1 D77536 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.280 COC1=C(S)C=CC(C#N)=C1 C91011 [1,0,0,0,0,0|0,1,2]=4 5 B11R1.280 N#CC1=C(O)C=CC(CO)=C1 D76207 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.49 COC1=C(F)C=CC([C@@H](N)CO)=C1 E72743 [0,1,0,0,0,0|2,0,0]=3 7 B13R2.449 ClCCC1=CC2=C(C=C1)OC=C2 72608 [0,0,0,1,0,0|2,0,1]=4 8 B13R2.599 N#CC1=C(F)C=C2NCCC2=C1 AC4686 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.10 NCCC1=CC(=O)NC=C1 C73270 [2,0,0,0,0,0|1,0,1]=4 10 B10R1.172 CCC1=CN=CC(CN)=C1 AT26760 [2,0,0,0,0,0|2,0,0]=4 11 B10R1.172 CNC1=CC=CC(CO)=C1 AT21038 [2,0,0,0,0,0|2,0,0]=4 12 B10R1.172 COC1=NC(CN)=CN=C1 D76775 [2,0,0,0,0,0|2,0,0]=4 13 B10R1.172 COC1=NC=CC(CBr)=C1 C71690 [2,0,0,0,0,0|2,0,0]=4 14 B10R1.172 [C-]#[N+]C1=CC=CC(OC)=C1 AC9601 [2,0,0,0,0,0|1,0,1]=4 15 B10R1.1 NCCC1=CNC(=O)C=C1 FD7157 [2,0,0,0,0,0|1,0,1]=4 16 B10R1.176 CC1=C(Br)C=C(CN)C=C1 AC7764 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.176 CCC1=CC(C)=C(Br)C=N1 AT24017 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.176 NCC1=CC(Br)=C(I)C=C1 AT26930 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.176 NCC1=CC(Cl)=C(O)N=C1 79293 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.176 OCC1=CC(O)=C(O)C=N1 F53447 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.30 C#CC1=C(O)C=CC(N)=C1 AC8460 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.30 CSC1=C(C)C=CC(N)=C1 AT20855 [2,0,0,0,0,0|1,1,0]=4 25 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [2,0,0,0,0,0|1,1,0]=4 26 B12R1.279 CN(C)C1=CC=CC(CCO)=C1 D75796 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.279 NCCC1=CC=CC(B(O)O)=C1 AC8583 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.382 C#CCCC1=CC=CC(OC)=C1 D75649 [1,1,0,0,0,0|1,0,0]=3 29 B12R1.382 COC1=NC(CCCO)=CC=C1 AT22971 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=N1 Y12188 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.435 COC1=NC([C@@H](N)CO)=CC=C1 Y12210 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.435 COC1=NC([C@@H](N)CO)=CC=C1 Y12211 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.367 CC1=C(F)C=CC([C@@H](O)CN)=C1 AT26516 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.367 NC[C@H](N)C1=CC(Cl)=C(Br)C=C1 N13718 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.544 NCCC1=C(F)C(F)=C(Br)C=C1 AT12624 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.1123 CCCC1=C(Br)C=C(Cl)C(O)=C1 F52147 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.1123 NCCC1=CC(F)=C(Br)C=C1F AT12604 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.78 COC1=C(C#N)C=CC(CBr)=C1 E10134 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.78 COC1=CC(CO)=CN=C1OC H10093 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.78 COC1=NC=C(CN)N=C1OC D75779 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.449 CCC1=C(Br)C=C(F)C(OC)=C1 57978 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.449 COC1=C(F)C=C(F)C(CO)=C1 E70253 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O C11952 [1,1,0,0,0,0|1,0,1]=4 44 B14R1.41 COC1=C(Cl)C=CC([C@@H](N)[C@H](C)O)=C1 N16314 [0,2,0,0,0,0|2,0,0]=4 45 B14R1.41 COC1=C(F)C=CC([C@@H](N)[C@H](C)O)=C1 N16308 [0,2,0,0,0,0|2,0,0]=4 46 B14R1.1864 COC1=C(OC)C=C([C@@H](N)CO)C=C1 D96462 [0,2,0,0,0,0|1,0,0]=3 47 B14R1.42 COC1=C(Br)C=CC(CCC(=O)O)=C1 C90969 [0,2,0,0,0,0|2,0,0]=4 48 B12R2.1806 COC1=C2C(=O)CC2=CC=C1 70904 [1,0,0,1,0,0|1,0,1]=4 49 B12R2.82 FC1=C(Br)C=CC2=C1NCC2 P14762 [1,0,0,1,0,0|2,0,0]=4 50 B12R2.100 FC1=C(Cl)C=C2CCNC2=C1 C16760 [1,0,0,1,0,0|2,0,0]=4 51 B12R2.291 CC1=C(C)C=C(C2CC2)C=C1 AC9677 [1,0,0,1,0,0|2,0,0]=4 52 B12R2.291 CC1=C(N)C=CC(C2CC2)=C1 AC8750 [1,0,0,1,0,0|2,0,0]=4 53 B14R2.966 N[C@@H](CO)C1=CC2=C(C=C1)CCO2 Y14133 [0,1,0,1,0,0|2,0,0]=4 54 B14R2.3163 COC1=C(C)C=CC(C2(N)CC2)=C1 AC3019 [0,1,0,1,0,0|2,0,0]=4 55 B14R2.82 COC1=C(C=O)C=C2CCNC2=C1 C14654 [0,1,0,1,0,0|2,0,0]=4 56 B14R2.1128 COC1=C(Br)C=C2CCNCC2=C1 AC8300 [0,1,0,1,0,0|2,0,0]=4 57 B14R2.587 N#CCC1=CC(Cl)=C2OCOC2=C1 C93177 [0,1,0,1,0,0|0,0,2]=4 58 B14R2.587 N#CCC1=CC(F)=C2OCOC2=C1 C93183 [0,1,0,1,0,0|0,0,2]=4 59 B10R1.96 COC1=NOC(CCN)=C1 AT19589 [1,0,0,0,1,0|2,0,0]=4