0 B14R1.818 O=C(O)CC(=O)OCC1=CC=NC=C1 MC110597 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.42 C=COC(=O)OCC1=CC=CC=C1 MC111305 [1,0,0,0,0,0|1,0,2]=4 2 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 MC428315 [1,0,0,0,0,0|1,0,0]=2 3 B13R1.42 CNCC(=O)OCc1ccccc1 MC438153 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.42 NCCC(=O)OCc1ccccc1 MC436156 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.337 CN(C)CCNCC1=CC=CC=C1 MC21090 [1,0,0,0,0,0|2,0,1]=4 6 B15R1.741 CC(CCl)NC(=O)OCC1=CC=CC=C1 MC106767 [0,1,0,0,0,0|1,0,0]=2 7 B15R1.3678 CC(C)C(N)C(=O)OCC1=CC=CC=C1 CS11561 [0,1,0,0,0,0|0,0,0]=1 8 B15R1.3678 CC(C)C(N)C(=O)OCC1=CC=CC=C1 MC20664 [0,1,0,0,0,0|0,0,0]=1 9 B15R1.3678 CC(C)C(N)C(=O)OCc1ccccc1 MC438302 [0,1,0,0,0,0|0,0,0]=1 10 B15R1.3678 CC(O)C(N)C(=O)OCC1=CC=CC=C1 MC113757 [0,1,0,0,0,0|1,0,0]=2 11 B15R1.3678 CC(O)C(N)C(=O)OCc1ccccc1 MC438203 [0,1,0,0,0,0|1,0,0]=2 12 B15R1.3678 CC(O)C(N)C(=O)OCc1ccccc1 MC438204 [0,1,0,0,0,0|1,0,0]=2 13 B15R1.8263 CC(C)NC(=O)NCC1=CC(Br)=CC=C1 MC112537 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 CS14334 [0,0,0,0,1,0|1,0,0]=2 15 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436155 [0,0,0,0,1,0|1,0,0]=2 16 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436157 [0,0,0,0,1,0|1,0,0]=2 17 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436158 [0,0,0,0,1,0|1,0,0]=2 18 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 MC437818 [0,0,0,0,1,0|1,0,0]=2 19 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 CS15331 [0,0,0,0,1,0|2,0,0]=3 20 B15R1.5919 NC(=O)CNC(=O)OCc1ccccc1 MC438419 [0,0,0,0,0,1|2,0,1]=4 21 B15R1.5919 O=C(O)CNC(=O)OCC1=CC=CC=C1 MC20506 [0,0,0,0,0,1|2,0,1]=4 22 B15R1.9084 O=C(O)CC(=O)OCCC1=CC=CC=C1 MC110596 [0,0,0,0,0,1|2,0,1]=4 23 B12R1.8 BrCCCOCC1=CC=CC=C1 CS10023 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [2,0,0,0,0,0|1,0,0]=3 31 B14R1.60 CCOC(=O)C(N)Cc1ccccc1 MC438087 [1,1,0,0,0,0|2,0,0]=4 32 B14R1.156 NCCCC(=O)OCc1ccccc1 MC436009 [1,1,0,0,0,0|0,0,0]=2 33 B14R1.156 NCCNC(=O)NCC1=CC=CC=C1 MC112506 [1,1,0,0,0,0|2,0,0]=4 34 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 CS11001 [1,1,0,0,0,0|1,0,0]=3 35 B14R1.156 NCCNC(=O)OCc1ccccc1 MC438390 [1,1,0,0,0,0|1,0,0]=3 36 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 CS13478 [1,1,0,0,0,0|1,0,0]=3 37 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 CS11002 [1,1,0,0,0,0|1,0,0]=3 38 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 CS12527 [1,1,0,0,0,0|2,0,0]=4 39 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 MC40041 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 MC442444 [1,1,0,0,0,0|2,0,0]=4 41 B14R1.756 C(N)(CO)C(=O)OCC1=CC=CC=C1 MC438162 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.756 NC(CO)C(=O)OCc1ccccc1 CS13835 [1,1,0,0,0,0|1,0,0]=3 43 B14R1.756 NC(CO)C(=O)OCc1ccccc1 MC438161 [1,1,0,0,0,0|1,0,0]=3 44 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 MC436137 [0,1,0,0,1,0|0,0,0]=2 45 B16R1.1343 COC(=O)CNC(=O)OCC1=CC=CC=C1 CS18678 [0,1,0,0,0,1|1,0,1]=4 46 B16R1.1343 NCC(=O)NCC(=O)OCc1ccccc1 MC439480 [0,1,0,0,0,1|1,0,1]=4 47 B16R1.6944 CC(C)CC(N)C(=O)OCc1ccccc1 MC428040 [0,1,0,0,0,1|0,0,0]=2 48 B16R1.6944 CC(C)CC(N)C(=O)OCc1ccccc1 MC428086 [0,1,0,0,0,1|0,0,0]=2 49 B16R1.6944 CC(C)CC(N)C(=O)OCc1ccccc1 MC437839 [0,1,0,0,0,1|0,0,0]=2 50 B16R1.7422 CC(C)(C)OC(=O)NCC1=C(N)C=CC=C1 CS20120 [0,2,0,0,0,0|2,0,0]=4 51 B16R1.11405 CC(C)CC(=O)OCC1=CC(=O)C=CC1=O MC425553 [0,2,0,0,0,0|0,0,0]=2 52 B16R1.12572 CC(C)(C)OC(=O)C(N)CC1=CC=CC=C1 CS11443 [0,2,0,0,0,0|2,0,0]=4 53 B16R1.12572 CC(C)(C)OC(=O)C(N)Cc1ccccc1 MC438083 [0,2,0,0,0,0|2,0,0]=4 54 B16R1.12572 CC(C)(C)OC(=O)C(N)Cc1ccccc1 MC439363 [0,2,0,0,0,0|2,0,0]=4 55 B16R1.1672 CCC(C)C(N)C(=O)OCc1ccccc1 MC437804 [0,2,0,0,0,0|0,0,0]=2 56 B16R1.1672 CCC(C)C(N)C(=O)OCc1ccccc1 MC437805 [0,2,0,0,0,0|0,0,0]=2 57 B16R1.10317 CC(C)(C#N)NC(=O)OCC1=CC=CC=C1 MC42202 [0,2,0,0,0,0|1,0,0]=3 58 B16R1.10317 CC(C)(C=O)NC(=O)OCC1=CC=CC=C1 MC112353 [0,2,0,0,0,0|1,0,0]=3 59 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(Br)C=C1 MC33023 [0,2,0,0,0,0|2,0,0]=4 60 B16R1.3281 CNC(C(=O)OCC1=CC=CC=C1)C(C)C MC435521 [0,2,0,0,0,0|0,0,0]=2 61 B16R1.3281 CNC(C(=O)OCc1ccccc1)C(C)C MC437994 [0,2,0,0,0,0|0,0,0]=2 62 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 CS15109 [1,0,0,1,0,0|2,0,0]=4 63 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 MC116196 [1,0,0,1,0,0|1,0,0]=3 64 B14R2.21 O=C1CCCC(C2=CC=NC=C2)C1 MC106126 [1,0,0,1,0,0|2,0,0]=4 65 B14R2.21 O=C1CCNC(C2=CC=CC=C2)C1 MC106734 [1,0,0,1,0,0|2,0,0]=4 66 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 CS21738 [1,0,0,1,0,0|2,0,0]=4 67 B14R2.2899 O=C(OCC1=CC=CC=C1)N2CC2 MC430585 [1,0,0,1,0,0|1,0,0]=3 68 B14R2.3018 C1=CC=C(COCCC2CO2)C=C1 MC425595 [1,0,0,1,0,0|1,0,1]=4 69 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O CS10019 [0,0,0,1,1,0|2,0,0]=4 70 B16R2.3322 NC1CN(C(=O)OCC2=CC=CC=C2)C1 MC444108 [0,0,0,1,0,1|1,0,0]=3 71 B16R2.3322 O=C(OCC1=CC=CC=C1)C2CC(Br)C2 MC112081 [0,0,0,1,0,1|1,0,0]=3 72 B16R2.3322 O=C(OCC1=CC=CC=C1)C2CC(O)C2 MC104104 [0,0,0,1,0,1|1,0,0]=3 73 B16R2.3322 O=C(OCC1=CC=CC=C1)C2CC(O)C2 MC104105 [0,0,0,1,0,1|1,0,0]=3 74 B16R2.3322 O=C(OCC1=CC=CC=C1)N2CC(Br)C2 MC113282 [0,0,0,1,0,1|1,0,0]=3 75 B16R2.3322 O=C1CN(C(=O)OCC2=CC=CC=C2)C1 CS13035 [0,0,0,1,0,1|1,0,1]=4 76 B16R2.312 NC1CCN(CC2=CC=CC=C2)C(=O)C1 MC105216 [0,1,0,1,0,0|2,0,0]=4 77 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 MC444216 [0,1,0,1,0,0|1,0,0]=3 78 B16R2.79341 O=C1CC(O)CC(C2=CC=C(Br)C=C2)C1 MC431717 [0,1,0,1,0,0|2,0,0]=4 79 B16R2.4101 CC(NC(=O)C1CC1F)C2=CC=CC=C2 MC102752 [0,1,0,1,0,0|2,0,0]=4 80 B16R2.4101 CC(NC(=O)C1CC1F)C2=CC=CC=C2 MC102753 [0,1,0,1,0,0|2,0,0]=4 81 B16R2.4101 CC(NC(=O)C1CC1I)C2=CC=CC=C2 MC102760 [0,1,0,1,0,0|2,0,0]=4 82 B16R2.4101 CC(NC(=O)C1CC1I)C2=CC=CC=C2 MC425297 [0,1,0,1,0,0|2,0,0]=4 83 B16R2.2991 CC(C)C1C(=O)CCC2=CC(F)=CC=C21 CS17471 [0,1,0,1,0,0|1,0,0]=3 84 B12R1.32 CCOC(=O)CC1=NC=CC=C1 MC41619 [1,0,0,0,1,0|2,0,0]=4 85 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [1,0,0,0,1,0|1,0,0]=3 86 B12R1.252 CN(C)CCOC1=CC=CC=C1 CS11261 [1,0,0,0,1,0|1,0,1]=4 87 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,0,0,0,2,0|1,0,1]=4 88 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS15465 [1,0,0,0,0,1|2,0,0]=4 89 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 MC103279 [1,0,0,0,0,1|1,0,0]=3 90 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CS16805 [1,0,0,0,0,1|2,0,0]=4 91 B14R1.520 N#CCC(=O)COCC1=CC=CC=C1 MC103280 [1,0,0,0,0,1|1,0,1]=4