0 B12R1.286 COC1=CC(CC#N)=CC=C1Br CS-0202569 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.286 COC1=CC(CNN)=CC=C1C CS-0286970 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.286 O=CC1=CC(CCO)=CC=C1Cl CS-0094856 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.189 COC1=CC=CC(CCN)=N1 CS-W000067 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.189 COC1=CC=CC(CCO)=N1 CS-0265278 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.192 CCOC1=CC=C(N)C(O)=C1 CS-0513196 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.192 CNCC1=CC=C(O)C(O)=C1 CS-0059168 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.280 COC1=CC(C#N)=CC=C1I CS-0377852 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.280 COC1=CC(C=O)=CC=C1N CS-0374694 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.280 COC1=CC(OC)=C(N)N=C1 CS-0588840 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.280 COC1=CC=C(N)C(OC)=C1 CS-0033846 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.280 N#CC1=CC(CN)=CC=C1Cl CS-0200333 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.49 COC1=C(F)C=CC([C@@H](N)CO)=C1 CS-0438933 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.121 COC1=C2OCOC2=CC=C1Br CS-0889021 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.449 ClCCC1=CC=C2OCCC2=C1 CS-M1816 [0,0,0,1,0,0|2,0,0]=3 15 B13R2.449 NCCC1=CC2=C(C=C1)NN=C2 CS-0184454 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.599 COC1=C(Br)C=C2OCOC2=C1 CS-0882357 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.599 COC1=C(O)C=C2C=NNC2=C1 CS-0367348 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.10 CC1=CN=CC(CCN)=N1 CS-0675594 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.10 CCCC1=CC=CC(Br)=C1 CS-0060101 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.10 NNCC1=CC=CC(Cl)=C1 CS-0073035 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.10 OCCC1=CC(F)=CC=C1 CS-W021390 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.172 COC1=CC(CN)=NC=C1 CS-0483209 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.172 COC1=CC=NC(CCl)=C1 CS-0029801 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.172 CSC1=CC=CC(CO)=C1 CS-0225753 [2,0,0,0,0,0|1,1,0]=4 25 B10R1.1 CCCC1=CC=C(Cl)C=C1 CS-0319886 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.1 NCCC1=CN=C(Cl)C=C1 CS-0453416 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.1 NNCC1=CC=C(Br)C=C1 CS-0053038 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.176 CC1=CC(CO)=CC=C1Cl CS-0194584 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.176 CC1=CC(CO)=CC=C1I CS-0378772 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.176 CN1C=C(CN)C=CC1=O CS-0050768 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.176 COC1=CC=C(O)C(C)=C1 CS-W006115 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.176 NCC1=CC=C(Cl)C(I)=C1 CS-0613712 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.176 NCC1=CC=C(O)C(Cl)=C1 CS-0610660 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.176 OCC1=CC=C(I)C(O)=C1 CS-W018963 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.30 CCC1=CC(N)=CC=C1F CS-0567559 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.30 CCC1=NC(C)=CC=C1O CS-0182823 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.30 COC1=C(C)C=CC(I)=C1 CS-0153556 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.30 COC1=C(Cl)C=CC(N)=C1 CS-W016214 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.30 COC1=CC(F)=CC=C1I CS-0130922 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.30 COC1=CC(S)=CC=C1F CS-0568056 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.41 COC1=CC(N)=CC(CCO)=C1 CS-M0774 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.270 COC1=CC=C(Br)C(CCO)=N1 CS-0240824 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 CS-0162073 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.367 NCC(=O)C1=CC=C(O)C(O)=C1 CS-0379782 [1,1,0,0,0,0|0,0,1]=3 45 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 CS-W016884 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 CS-W010782 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.385 CC1=C(Cl)C=C(OCCN)C=C1 CS-0279701 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.385 OC\C=C\C1=CC=C(O)C(O)=C1 CS-0460124 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 CS-0000362 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.56 COC1=CC(C(F)F)=CC=C1Br CS-0525382 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.300 COC1=CC(OC)=C(Cl)C(N)=C1 CS-0138701 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.654 COC1=C(O)C(C=O)=CC=C1O CS-0059753 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.1864 COC1=CC=C(C(=O)NN)C=C1OC CS-0067928 [0,2,0,0,0,0|1,0,1]=4 54 B14R1.6795 COC(=O)C1=CC(CCO)=CC=C1Cl CS-0103004 [0,2,0,0,0,0|2,0,0]=4 55 B14R1.42 COC1=C(Br)C=CC(CCC(=O)O)=C1 CS-0749854 [0,2,0,0,0,0|2,0,0]=4 56 B14R1.42 COC1=CC(CCC(=O)O)=CC=C1Cl CS-0908619 [0,2,0,0,0,0|2,0,0]=4 57 B12R2.44 COC1=CC2=C(C=C1)NCC2 CS-0019194 [1,0,0,1,0,0|0,0,0]=2 58 B12R2.82 CC1=C(O)C2=C(C=C1)CCC2 CS-0215033 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.100 FC1=C(Cl)C=C2NCCC2=C1 CS-0657200 [1,0,0,1,0,0|2,0,0]=4 60 B14R2.966 CC(CN)C1=CC2=C(C=C1)CCC2 CS-0276150 [0,1,0,1,0,0|2,0,0]=4 61 B14R2.966 CC[C@@H](N)C1=CC=C2OCCC2=C1 CS-0653515 [0,1,0,1,0,0|2,0,0]=4 62 B14R2.3163 COC1=CC(C2(N)CC2)=CC=C1C CS-0629120 [0,1,0,1,0,0|2,0,0]=4 63 B14R2.82 COC1=CC2=C(C=C1OC)CNC2 CS-0101431 [0,1,0,1,0,0|2,0,0]=4 64 B14R2.991 OCCCC1=CC=C2OCCC2=C1 CS-0167312 [0,1,0,1,0,0|2,0,0]=4 65 B14R2.1128 COC1=C(Br)C=C2CNCCC2=C1 CS-0893138 [0,1,0,1,0,0|1,0,0]=3 66 B14R2.1128 COC1=CC2=C(C=C1Cl)CNCC2 CS-0531105 [0,1,0,1,0,0|1,0,0]=3 67 B14R2.1128 COC1=CC2=C(C=C1F)CNCC2 CS-0774635 [0,1,0,1,0,0|1,0,0]=3 68 B14R3.3046 C1=CC2=C(OCO2)C3=C1CNC3 CS-0187245 [0,0,0,2,0,0|2,0,0]=4