0 B18R1.238877 CCC(C)C1=C(C=CC=C1)NC(=O)C(CC)CC MCULE-3662663392 [0,0,0,0,0,0|3,0,1]=4 1 B18R1.238877 CCC(CC)C(=O)NC1=CC=CC=C1C(=O)OC MCULE-1715106403 [0,0,0,0,0,0|1,0,0]=1 2 B18R1.238877 CCC(CC)C(=O)OC1=C(C=CC=C1)C(=O)OC MCULE-3879858618 [0,0,0,0,0,0|0,0,0]=0 3 B17R1.11855 CCOC1=C(C=CC=C1)NC(=O)C(CC)CC MCULE-6241752677 [1,0,0,0,0,0|3,0,0]=4 4 B17R1.19458 CCC(CC)C(=O)NC1=C(C=CC=C1)C(=O)O MCULE-8514103688 [1,0,0,0,0,0|1,0,0]=2 5 B17R1.19458 CCC(CC)C(=O)NC1=CC=CC=C1C(=O)N MCULE-9728692506 [1,0,0,0,0,0|2,0,0]=3 6 B17R1.19458 CCC(CC)C(=O)NC1=CC=CC=C1C(C)C MCULE-8816850023 [1,0,0,0,0,0|2,0,1]=4 7 B17R1.19458 CCC(CC)C(=O)NC1=CC=CC=C1N(=O)=O MCULE-8569189873 [1,0,0,0,0,0|2,0,1]=4 8 B17R1.19458 CCN(CC)C(=O)OC1=CN=CC=C1C(=O)O MCULE-9725828169 [1,0,0,0,0,0|2,0,0]=3 9 B17R1.23817 CCC(Br)C(=O)NC1=CC=CC=C1C(=O)OC MCULE-2063313763 [1,0,0,0,0,0|2,0,0]=3 10 B17R1.23817 CCC(C)C(=O)NC1=CC=CC=C1C(=O)OC MCULE-2743013799 [1,0,0,0,0,0|1,0,0]=2 11 B19R2.12776 COC(=O)C1=C(C=CC=C1)OC(=O)C2CCCC2 MCULE-3122482135 [0,0,0,1,0,0|0,0,0]=1 12 B19R2.12776 COC(=O)C1=CC=CC=C1NC(=O)C2CCCC2 MCULE-2174167878 [0,0,0,1,0,0|1,0,0]=2 13 B19R2.12776 COC(=O)C1=CC=CC=C1NC(=O)C2CCCO2 MCULE-3048520592 [0,0,0,1,0,0|2,0,0]=3 14 B19R2.12776 COC(=O)C1=CC=CC=C1NC(=O)N2CCCC2 MCULE-4305924292 [0,0,0,1,0,0|2,0,0]=3 15 B19R2.12776 COC(=O)C1=CC=CC=C1NC(=S)N2CCCC2 MCULE-6940288766 [0,0,0,1,0,0|2,1,0]=4 16 B17R1.24781 CCC(CC)C(=O)C1=CC=CC=C1C(=O)OC MCULE-1698513229 [0,0,0,0,1,0|0,0,0]=1 17 B17R1.136505 CCC(CC)C(=O)NC1=C(SC=C1)C(=O)OC MCULE-2436267068 [0,0,0,0,1,0|2,0,0]=3 18 B16R1.19285 CCC(CC)C(=O)NC1=CC=CC=C1OC MCULE-6322557296 [2,0,0,0,0,0|1,0,0]=3 19 B16R1.19285 CCC(CC)C(=O)OC1=CC=CC=C1OC MCULE-4575606329 [2,0,0,0,0,0|0,0,0]=2 20 B16R1.19285 CCC1=CC=CC=C1NC(=O)C(CC)CC MCULE-2294605546 [2,0,0,0,0,0|1,0,1]=4 21 B16R1.19285 CCN(CC)C(=O)NC1=C(C=CC=C1)OC MCULE-9676691430 [2,0,0,0,0,0|2,0,0]=4 22 B16R1.6958 CCC(Br)C(=O)NC1=CC=CC=C1C(=O)O MCULE-3111971118 [2,0,0,0,0,0|2,0,0]=4 23 B16R1.6958 CCC(C)C(=O)NC1=C(C=CC=C1)C(=O)O MCULE-8222824708 [2,0,0,0,0,0|1,0,0]=3 24 B16R1.6958 CCC(C)C(=O)NC1=CC=CC=C1C(=O)N MCULE-4702879661 [2,0,0,0,0,0|2,0,0]=4 25 B16R1.1556 CCCC(=O)NC1=C(C=CC=C1)C(=O)NC MCULE-9356307573 [2,0,0,0,0,0|2,0,0]=4 26 B16R1.1556 CCCC(=O)NC1=C(C=CC=C1)C(=O)OC MCULE-6326439777 [2,0,0,0,0,0|1,0,0]=3 27 B16R1.1556 CCCC(=O)OC1=C(C=CC=C1)C(=O)OC MCULE-5188766497 [2,0,0,0,0,0|0,0,0]=2 28 B16R1.1556 CCNC(=O)NC1=CC=CC=C1C(=O)OC MCULE-2348968990 [2,0,0,0,0,0|2,0,0]=4 29 B16R1.1556 CCOC(=O)CC1=CC=CC=C1C(=O)OC MCULE-2182006956 [2,0,0,0,0,0|2,0,0]=4 30 B16R1.1556 CCOC(=O)NC1=CC=CC=C1C(=O)OC MCULE-9794460946 [2,0,0,0,0,0|2,0,0]=4 31 B16R1.1556 CNCC(=O)NC1=C(C=CC=C1)C(=O)OC MCULE-3383317816 [2,0,0,0,0,0|2,0,0]=4 32 B16R1.1556 CNCC(=O)NC1=C(C=CC=C1)C(=O)OC MCULE-5276513280 [2,0,0,0,0,0|2,0,0]=4 33 B16R1.1556 COC(=O)C1=CC=CC=C1NC(=O)CCCl MCULE-2058991115 [2,0,0,0,0,0|2,0,0]=4 34 B16R1.1556 COCC(=O)NC1=CC=CC=C1C(=O)OC MCULE-9672757232 [2,0,0,0,0,0|2,0,0]=4 35 B16R1.16698 COC(=O)C1=C(C=CC=C1)NC(=O)C(C)Br MCULE-5619670188 [2,0,0,0,0,0|2,0,0]=4 36 B16R1.16698 COC(=O)C1=C(C=CC=C1)OC(=O)C(C)C MCULE-2301798530 [2,0,0,0,0,0|0,0,0]=2 37 B16R1.16698 COC(=O)C1=CC=CC=C1NC(=O)C(C)C MCULE-3744179376 [2,0,0,0,0,0|1,0,0]=3 38 B16R1.16698 COC(=O)C1=CC=CC=C1NC(=O)C(C)Cl MCULE-2509251310 [2,0,0,0,0,0|2,0,0]=4 39 B18R1.25826 CCC(CC)C(=O)NC1=CC(=CC=C1C(=O)O)Cl MCULE-8263289381 [1,1,0,0,0,0|1,0,0]=3 40 B18R1.208667 CCC(CC)C(=O)NC1=CC=C(C=C1C(=O)O)Br MCULE-9233536068 [1,1,0,0,0,0|1,0,0]=3 41 B18R1.208667 CCC(CC)C(=O)NC1=CC=C(C=C1C(=O)O)O MCULE-2284684592 [1,1,0,0,0,0|1,0,0]=3 42 B18R1.6137 CCCC(C)C(=O)NC1=CC=CC=C1C(=O)OC MCULE-8828159346 [1,1,0,0,0,0|1,0,0]=3 43 B18R1.28804 CCOC(=O)C1=CC=CC=C1NC(=O)C(C)CC MCULE-6261087665 [1,1,0,0,0,0|1,0,0]=3 44 B18R1.249322 COC(=O)C1=C(C=CC=C1)NC(=O)C(C)(C)CCl MCULE-7259339974 [1,1,0,0,0,0|2,0,0]=4 45 B18R1.30166 CCOC(=O)C1=CC=CC=C1C(=O)C(CC)CC MCULE-9343276203 [0,1,0,0,1,0|0,0,0]=2 46 B18R1.33095 CCC(CC)C(=O)C1=CC=C(C=C1C(=O)OC)Cl MCULE-9636804955 [0,1,0,0,1,0|0,0,0]=2 47 B20R1.1632899 CCN(CC)CC(=O)NC1=C(C=CC=C1C(=O)OC)C MCULE-1992383469 [0,1,0,0,0,1|2,0,0]=4 48 B20R1.112363 CCCCC(CC)C(=O)NC1=C(C=CC=C1)C(=O)OC MCULE-3093147671 [0,2,0,0,0,0|1,0,0]=3 49 B20R1.117936 CCCC(CCC)C(=O)NC1=C(C=CC=C1)C(=O)OC MCULE-4227788523 [0,2,0,0,0,0|1,0,0]=3 50 B20R1.151678 CCC(CC)C(=O)NC1=CC=CC=C1C(=O)NC(C)C MCULE-4688291644 [0,2,0,0,0,0|2,0,0]=4 51 B18R2.7144 NC(=O)C1=C(C=CC=C1)NC(=O)C2CCCC2 MCULE-9526029482 [1,0,0,1,0,0|2,0,0]=4 52 B18R2.7144 O=C(O)C1=C(C=CC=C1)NC(=O)C2CCCO2 MCULE-6045981558 [1,0,0,1,0,0|2,0,0]=4 53 B18R2.7144 O=C(O)C1=C(C=CC=C1)OC(=O)C2CCCC2 MCULE-9546005350 [1,0,0,1,0,0|0,0,0]=2 54 B18R2.7144 O=C(O)C1=CC=CC=C1NC(=O)N2CCCC2 MCULE-2438263790 [1,0,0,1,0,0|2,0,0]=4 55 B18R2.97177 COC(=O)C1=CC=CC=C1NC(=O)C2CC2C MCULE-9640089124 [1,0,0,1,0,0|1,0,0]=3 56 B18R2.9495 COC(=O)C1=CC=CC=C1OCC2CCNC2 MCULE-5741775636 [1,0,0,1,0,0|1,0,1]=4 57 B18R2.9495 COC(=O)C1=CC=CC=C1OCC2CCNC2 MCULE-9424586826 [1,0,0,1,0,0|1,0,1]=4 58 B18R2.9494 COC(=O)C1=C(C=CC=C1)C(=O)N2CCCC2 MCULE-7256610392 [0,0,0,1,1,0|1,0,0]=3 59 B18R2.9494 COC(=O)C1=C(C=CC=C1)[C@@H](N)C2CCCC2 MCULE-5911184473 [0,0,0,1,1,0|1,0,1]=4 60 B18R2.9494 COC(=O)C1=C(C=CC=C1)[C@@H](N)C2CCCC2 MCULE-6645961167 [0,0,0,1,1,0|1,0,1]=4 61 B18R2.9494 COC(=O)C1=C(C=CC=C1)[C@H](N)C2CCCC2 MCULE-2895891253 [0,0,0,1,1,0|1,0,1]=4 62 B18R2.9494 COC(=O)C1=C(C=CC=C1)[C@H](N)C2CCCC2 MCULE-7730780441 [0,0,0,1,1,0|1,0,1]=4 63 B18R2.9494 COC(=O)C1=CC=CC=C1C(=O)C2CCCC2 MCULE-9388328968 [0,0,0,1,1,0|0,0,0]=2 64 B20R2.16685 CNC(=O)C1=C(C=CC=C1)NC(=O)CC2CCCC2 MCULE-5355323018 [0,0,0,1,0,1|2,0,0]=4 65 B20R2.16685 COC(=O)C1=CC=CC=C1NC(=O)NC2CCCC2 MCULE-8512309435 [0,0,0,1,0,1|1,0,0]=3 66 B20R2.2381736 CCC(CC)C(=O)N1CCC(=O)NC2=CC=CC=C12 MCULE-7556429409 [0,0,0,1,0,1|2,0,0]=4 67 B20R2.16677 CNC(=O)C1=C(C=CC=C1)NC(=O)C2CCCCC2 MCULE-9132797560 [0,1,0,1,0,0|2,0,0]=4 68 B20R2.16677 COC(=O)C1=C(C=CC=C1)NC(=O)N2CCOCC2 MCULE-6483438127 [0,1,0,1,0,0|2,0,0]=4 69 B20R2.16677 COC(=O)C1=C(C=CC=C1)OC(=O)C2CCCCC2 MCULE-9263883335 [0,1,0,1,0,0|0,0,0]=2 70 B20R2.16677 COC(=O)C1=CC=CC=C1NC(=O)C2CCCCC2 MCULE-6789286948 [0,1,0,1,0,0|1,0,0]=3 71 B20R2.13906 CCOC(=O)C1=CC=CC=C1NC(=O)C2CCCO2 MCULE-1455397744 [0,1,0,1,0,0|2,0,0]=4 72 B16R1.5485 CCC(CC)C(=O)C1=C(C=CC=C1)C(C)C MCULE-2247207452 [1,0,0,0,1,0|1,0,1]=4 73 B16R1.5485 CCC(CC)C(=O)C1=CC=CC=C1N(C)C MCULE-1570191121 [1,0,0,0,1,0|2,0,0]=4 74 B16R1.1177 CCC(C)C(=O)C1=CC=CC=C1C(=O)OC MCULE-4365669004 [1,0,0,0,1,0|0,0,0]=2 75 B16R1.1177 CCC(C)[C@@H](N)C1=C(C=CC=C1)C(=O)OC MCULE-5592376610 [1,0,0,0,1,0|1,0,1]=4 76 B16R1.1177 CCC(C)[C@@H](N)C1=C(C=CC=C1)C(=O)OC MCULE-7138372276 [1,0,0,0,1,0|1,0,1]=4 77 B16R1.1177 CCC(C)[C@H](N)C1=C(C=CC=C1)C(=O)OC MCULE-2862906576 [1,0,0,0,1,0|1,0,1]=4 78 B16R1.1177 CCC(C)[C@H](N)C1=C(C=CC=C1)C(=O)OC MCULE-7459093791 [1,0,0,0,1,0|1,0,1]=4 79 B16R1.1177 CCC(Cl)C(=O)C1=CC=CC=C1C(=O)OC MCULE-9930843682 [1,0,0,0,1,0|1,0,0]=3 80 B16R1.1177 COC(=O)C1=CC=CC=C1C(=O)C(Br)CBr MCULE-7456815230 [1,0,0,0,1,0|2,0,0]=4 81 B16R1.16691 CCC(C)C(=O)NC1=C(SC=C1)C(=O)OC MCULE-1130480527 [1,0,0,0,1,0|2,0,0]=4 82 B18R1.20690 CCN(CC)C(=O)CSC1=C(C=CC=C1)C(=O)O MCULE-1443627342 [1,0,0,0,0,1|1,1,0]=4