0 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS-W014323 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 CS-0097724 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.16 C(C)=CC(=O)C1=CC=CC=C1 CS-W010991 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.16 CCOC(=O)C1=CC=CC=N1 CS-W008053 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.16 CCOC(=O)C1=CC=NC=C1 CS-W020597 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS-W014344 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.16 CCOC(=O)C1=NC=CN=C1 CS-M0893 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.201 CC(C)CC(C)C1=CC=CC=C1N CS-0030818 [0,1,0,0,0,0|2,0,1]=4 9 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CS-W010863 [0,0,0,1,0,0|1,0,1]=3 10 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CS-0040300 [0,0,0,0,1,0|1,0,1]=3 11 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CS-0040396 [0,0,0,0,1,0|1,0,1]=3 12 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CC=C1 CS-0094475 [0,0,0,0,0,1|2,0,0]=3 13 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CS-W013344 [2,0,0,0,0,0|1,0,1]=4 14 B10R1.15 COC(=O)C1=CC=CC=N1 CS-W005458 [2,0,0,0,0,0|1,0,0]=3 15 B10R1.15 COC(=O)C1=CN=CN=C1 CS-D0147 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.15 COC(=O)C1=NC=CN=C1 CS-0080007 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.15 COS(=O)C1=CC=CC=C1 CS-M2210 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.15 NNC(=O)C1=CC=CC=C1 CS-W017759 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.15 O=C(CBr)C1=CN=CC=C1 CS-W010052 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [2,0,0,0,0,0|0,0,1]=3 21 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 CS-W017075 [1,1,0,0,0,0|2,0,0]=4 22 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 CS-0034666 [1,1,0,0,0,0|1,0,0]=3 23 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 CS-W007730 [1,1,0,0,0,0|0,0,0]=2 24 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 CS-W016987 [1,1,0,0,0,0|0,0,0]=2 25 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 CS-W007981 [1,1,0,0,0,0|0,0,0]=2 26 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 CS-W019557 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.16 CCOC(=O)C1=CN=C(N)C=N1 CS-W006179 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.16 CCOC(=O)C1=NN=C(Cl)C=C1 CS-D1635 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 CS-W005246 [1,1,0,0,0,0|1,0,0]=3 30 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 CS-0061579 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 CS-B1378 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 CS-D1173 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 CS-W017877 [1,1,0,0,0,0|0,0,0]=2 34 B12R1.17 CCOC(=O)C1=CC=CC(F)=C1 CS-W020154 [1,1,0,0,0,0|0,0,0]=2 35 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 CS-W022715 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 CS-0045655 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.17 CCOC(=O)C1=NC=CC(Br)=C1 CS-0041851 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.30 NCCNC(=O)C1=CC=CN=C1 CS-B1729 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CS-0030595 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 CS-W017890 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 CS-W016932 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.308 CCOC(=O)C1=CC=CC=C1Br CS-0097784 [1,1,0,0,0,0|0,0,0]=2 43 B12R1.308 CCOC(=O)C1=CC=NC=C1Cl CS-0042812 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.308 CCOC(=O)C1=CC=NC=C1N CS-D0762 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.308 CCOC(=O)C1=CN=CN=C1O CS-0090766 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.308 CCOC(=O)C1=CN=CNC1=O CS-W000639 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl CS-0042811 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.20 CC(C)C(=O)C1=CC=C(O)C=C1 CS-0105543 [0,1,0,0,1,0|0,0,0]=2 49 B12R1.20 CC(C)S(=O)C1=CC=C(Br)C=C1 CS-0097734 [0,1,0,0,1,0|1,0,0]=3 50 B12R1.20 CN(C)C(=O)C1=CN=C(Cl)C=C1 CS-W016976 [0,1,0,0,1,0|2,0,0]=4 51 B12R1.124 CC(C)C(=O)C1=CC=CC=C1F CS-0101621 [0,1,0,0,1,0|0,0,0]=2 52 B12R1.564 O=C(C1=CC=CC=C1)C(F)(F)F CS-0031430 [0,1,0,0,1,0|2,0,0]=4 53 B12R1.265 CC(C)(C)OC(=O)N1C=CN=C1 CS-W008539 [0,1,0,0,1,0|2,0,0]=4 54 B14R1.433 CC(C)(C)OC(=O)OC1=CC=CC=C1 CS-W010657 [0,1,0,0,0,1|0,0,0]=2 55 B14R1.683 CC(C)(C)NC(=O)C1=CN=C(Cl)C=C1 CS-0097451 [0,2,0,0,0,0|2,0,0]=4 56 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(F)C=C1 CS-W023011 [0,2,0,0,0,0|0,0,0]=2 57 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(N)C=C1 CS-M1336 [0,2,0,0,0,0|0,0,0]=2 58 B14R1.685 CC(C)OC(=O)C1=CC=C(Cl)C(N)=C1 CS-B1575 [0,2,0,0,0,0|0,0,0]=2 59 B14R1.4451 CC(C)(C)NC(=O)C1=CC=CC=C1Cl CS-D1017 [0,2,0,0,0,0|1,0,0]=3 60 B14R1.3335 CC(C)(C)NS(=O)(=O)C1=CC=CC=C1 CS-0038128 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.75 CC(C)OC1=C(C=O)C=CC=C1 CS-0037478 [0,0,1,1,0,0|2,0,0]=4 62 B12R2.1081 O=C1CCCC2=C1C=CN=C2 CS-W022523 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.1081 O=C1CCCC2=C1N=CC=C2 CS-D1458 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.1081 O=C1CCNC2=C1C=CC=C2 CS-W021492 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.1081 O=C1CSCC2=CC=CC=C12 CS-0063869 [1,0,0,1,0,0|2,0,0]=4 66 B14R2.4633 NC1=CC=CC=C1C(=O)NC2CC2 CS-0037154 [0,1,0,1,0,0|1,0,0]=3 67 B14R2.29496 CC1=NC(C)(C)CC2=C1C=CC=C2 CS-0045321 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.11 CCOC(=O)C1=COC=C1 CS-W020542 [1,0,0,0,1,0|1,0,0]=3 69 B10R1.11 CCOC(=O)C1=CON=C1 CS-0049560 [1,0,0,0,1,0|2,0,0]=4 70 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CS-W016087 [1,0,0,0,0,1|0,0,0]=2 71 B12R1.32 CCOC(=O)CC1=CC=NC=C1 CS-W017889 [1,0,0,0,0,1|1,0,0]=3 72 B12R1.32 CCOC(=O)NC1=CC=NC=C1 CS-0028344 [1,0,0,0,0,1|1,0,0]=3 73 B12R1.252 CC(C)OCCC1=NC=CC=C1 CS-0101421 [1,0,0,0,0,1|1,0,1]=4