0 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 CS11737 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS15465 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 MC103279 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CS16805 [0,0,0,0,0,0|1,0,0]=1 4 B14R1.520 N#CCC(=O)COCC1=CC=CC=C1 MC103280 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.718 COC(=O)CCNC1=CC=CC=C1 CS22398 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.718 COC(=O)\C=C\NC1=CC=CC=C1 MC111024 [1,0,0,0,0,0|1,0,2]=4 7 B15R1.11 CCOC(=O)CCCC1=CC=C(Br)C=C1 CS15747 [0,1,0,0,0,0|0,0,0]=1 8 B15R1.11 CCOC(=O)\C=C\CC1=CC=C(Cl)C=C1 MC112132 [0,1,0,0,0,0|0,0,2]=3 9 B15R1.633 CCOC(=O)CCCC1=CC(O)=CC=C1 MC106604 [0,1,0,0,0,0|0,0,0]=1 10 B15R1.826 CCOC(=O)C(N)CCC1=CC=CC=C1 CS16255 [0,1,0,0,0,0|0,0,0]=1 11 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 CS16761 [0,0,0,1,0,0|2,0,0]=3 12 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 MC10133 [0,0,0,1,0,0|2,0,0]=3 13 B15R2.31 O=C1CCNC(CC2=CC=CC=C2)C1 MC106735 [0,0,0,1,0,0|2,0,0]=3 14 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCO1 MC442304 [0,0,0,1,0,0|1,0,0]=2 15 B15R2.325 CC1CC(=O)CN1CC2=CC=CC=C2 MC33311 [0,0,0,1,0,0|2,0,0]=3 16 B15R2.7507 CC1(COCC2=CC=CC=C2)CCO1 MC425338 [0,0,0,1,0,0|2,0,1]=4 17 B13R1.42 C=COC(=O)OCC1=CC=CC=C1 MC111305 [0,0,0,0,1,0|1,0,2]=4 18 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 MC428315 [0,0,0,0,1,0|1,0,0]=2 19 B13R1.42 CCOC(=O)COC1=CC=CN=C1 CS19787 [0,0,0,0,1,0|2,0,0]=3 20 B13R1.42 CNCC(=O)OCc1ccccc1 MC438153 [0,0,0,0,1,0|3,0,0]=4 21 B13R1.42 NCCC(=O)OCc1ccccc1 MC436156 [0,0,0,0,1,0|3,0,0]=4 22 B12R1.8 CCCCCCC1=CC=NC=C1 CS17088 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.8 OCCCCCC1=CC=CC=C1 MC443206 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.252 O=C(O)CCCC1=NC=CC=C1 CS12802 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.252 O=C(O)CNCC1=NC=CC=C1 MC105962 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [2,0,0,0,0,0|1,0,0]=3 30 B14R1.123 CCCCCCCCC1=CC=CC=C1 MC41568 [1,1,0,0,0,0|1,0,1]=4 31 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 CS11453 [1,1,0,0,0,0|0,0,0]=2 32 B14R1.756 CCC(=O)C(C)OCC1=CC=CC=C1 MC418495 [1,1,0,0,0,0|1,0,0]=3 33 B14R1.756 COC(=O)C(N)CCc1ccccc1 MC439295 [1,1,0,0,0,0|0,0,0]=2 34 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CS11380 [0,1,0,0,1,0|0,0,1]=3 35 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 CS10017 [0,1,0,0,1,0|1,0,1]=4 36 B14R1.60 CCOC(=O)C(N)Cc1ccccc1 MC438087 [0,1,0,0,1,0|0,0,0]=2 37 B14R1.502 CCOC(=O)C#Cc1ccc(Cl)cc1 MC434037 [0,1,0,0,1,0|0,0,2]=4 38 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 CS12527 [0,1,0,0,1,0|0,0,0]=2 39 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 MC40041 [0,1,0,0,1,0|0,0,0]=2 40 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 MC442444 [0,1,0,0,1,0|0,0,0]=2 41 B14R1.502 CCOC(=O)CCC1=CC=C(N)N=C1 MC429710 [0,1,0,0,1,0|1,0,0]=3 42 B14R1.502 CCOC(=O)CSC1=CC=C(O)C=C1 MC120175 [0,1,0,0,1,0|1,0,0]=3 43 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 MC433908 [0,1,0,0,1,0|0,0,2]=4 44 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 MC431718 [0,1,0,0,1,0|0,0,2]=4 45 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 MC443167 [0,1,0,0,1,0|1,0,0]=3 46 B14R1.598 CCOC(=O)COC1=CC=CN=C1Br MC33500 [0,1,0,0,1,0|2,0,0]=4 47 B14R1.598 CCOC(=O)COC1=NC=CC=C1O MC443819 [0,1,0,0,1,0|2,0,0]=4 48 B16R1.14049 CCOC(=O)C(N)CSCc1ccccc1 MC436902 [0,1,0,0,0,1|0,0,0]=2 49 B16R1.58 CCOC(=O)CCC(=O)C1=CC=C(C)C=C1 MC430268 [0,2,0,0,0,0|0,0,1]=3 50 B16R1.1543 CCOC(=O)CCCC1=CC=C(C#N)C=C1 MC442203 [0,2,0,0,0,0|0,0,0]=2 51 B16R1.1543 CCOC(=O)CCCC1=CC=C(CN)C=C1 MC442204 [0,2,0,0,0,0|0,0,0]=2 52 B16R1.1543 CCOC(=O)CNCC1=CC=C(OC)C=C1 CS14275 [0,2,0,0,0,0|1,0,0]=3 53 B16R1.1543 CCOC(=O)CNCC1=CC=C(OC)C=C1 CS17862 [0,2,0,0,0,0|1,0,0]=3 54 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 CS22300 [1,0,0,1,0,0|1,0,0]=3 55 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10013 [1,0,0,1,0,0|1,0,0]=3 56 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10014 [1,0,0,1,0,0|1,0,0]=3 57 B14R2.19 S=C1NC(CC2=CC=CC=C2)CO1 MC114954 [1,0,0,1,0,0|1,1,0]=4 58 B14R2.68 O=C1CCC(C2=NC=CN=C2)CC1 MC106170 [1,0,0,1,0,0|2,0,0]=4 59 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 MC442722 [1,0,0,1,0,0|1,0,0]=3 60 B14R2.68 O=C1CCN(C2=CC=NC=C2)CC1 CS13579 [1,0,0,1,0,0|2,0,0]=4 61 B14R2.68 O=C1CNC(C2=CC=CC=C2)CO1 MC428330 [1,0,0,1,0,0|1,0,0]=3 62 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 CS13118 [1,0,0,1,0,0|2,0,0]=4 63 B14R2.95 O=C(CBr)C1NCC2=CC=CC=C21 MC106281 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.95 O=C(CCl)C1NCC2=CC=CC=C21 MC106280 [1,0,0,1,0,0|2,0,0]=4 65 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 CS15109 [0,0,0,1,1,0|1,0,0]=3 66 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 MC116196 [0,0,0,1,1,0|2,0,0]=4 67 B14R2.21 O=C1CCCC(C2=CC=NC=C2)C1 MC106126 [0,0,0,1,1,0|2,0,0]=4 68 B14R2.21 O=C1CCNC(C2=CC=CC=C2)C1 MC106734 [0,0,0,1,1,0|2,0,0]=4 69 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 CS21738 [0,0,0,1,1,0|2,0,0]=4 70 B14R2.598 O=C1CC(C2=CC=CC=C2)C(=O)O1 MC440514 [0,0,0,1,1,0|1,0,1]=4 71 B14R2.2899 O=C(OCC1=CC=CC=C1)N2CC2 MC430585 [0,0,0,1,1,0|2,0,0]=4 72 B16R2.5 CCOC(=O)CC1=CNC2=CC=CC=C12 CS11668 [0,0,0,1,0,1|0,0,2]=4 73 B16R2.3258 O=C1CCCN(CC2=CC=CC=C2)CC1 MC425713 [0,0,0,1,0,1|1,0,0]=3 74 B16R2.3258 O=C1CCN(CC2=CC=CC=C2)CCN1 CS11714 [0,0,0,1,0,1|1,0,0]=3 75 B16R2.723 CCOC(=O)C1CC1C2=CC=C(Br)C=C2 MC107576 [0,1,0,1,0,0|0,0,0]=2 76 B16R2.723 CCOC(=O)C1CC1C2=CC=C(Br)N=C2 MC103306 [0,1,0,1,0,0|1,0,0]=3 77 B16R2.2899 CC1OC(=O)CC1C(=O)C2=CC=CC=C2 CS17926 [0,1,0,1,0,0|0,0,1]=3 78 B16R2.3253 O=C1CCCCN(CC2=CC=CC=C2)C1 MC425216 [0,1,0,1,0,0|2,0,0]=4 79 B16R2.767 CCOC(=O)C1=CC2=CC=CC=C2CC1 MC107644 [0,1,0,1,0,0|0,0,1]=3 80 B16R2.767 CCOC(=O)C1CCC2=CC=CC=C2N1 CS18321 [0,1,0,1,0,0|0,0,0]=2 81 B16R2.767 CCOC(=O)C1COC2=C(C=CC=C2)O1 CS14506 [0,1,0,1,0,0|1,0,0]=3 82 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [1,0,0,0,1,0|0,0,0]=2 83 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [1,0,0,0,1,0|2,0,0]=4 84 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [1,0,0,0,1,0|2,0,0]=4 85 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [1,0,0,0,1,0|2,0,0]=4 86 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [1,0,0,0,1,0|2,0,0]=4 87 B12R1.32 CCOC(=O)CC1=NC=CC=C1 MC41619 [0,0,0,0,2,0|1,0,0]=3 88 B12R1.32 CCOC(=O)CC1=NC=CC=N1 CS12227 [0,0,0,0,2,0|2,0,0]=4