0 B16R1.602 C=C(C)CNC1=CC=C(C=C1)C(C)C(=O)O MCULE-5684082766 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.55 CCCCC1=CC=C(C=C1)C(C)C(=O)O MCULE-3031259946 [1,0,0,0,0,0|1,0,1]=3 2 B15R1.55 CCCCC1=CC=C(C=C1)[C@@H](C)C(=O)O MCULE-5313370571 [1,0,0,0,0,0|1,0,1]=3 3 B15R1.55 CCCCC1=CC=C(C=C1)[C@@H](C)C(=O)O MCULE-6624494724 [1,0,0,0,0,0|1,0,1]=3 4 B15R1.55 CCCCC1=CC=C(C=C1)[C@H](C)C(=O)O MCULE-7678478879 [1,0,0,0,0,0|1,0,1]=3 5 B15R1.55 CCCCC1=CC=C(C=C1)[C@H](C)C(=O)O MCULE-8553177078 [1,0,0,0,0,0|1,0,1]=3 6 B15R1.55 CCCOC1=CC=C(C=C1)C(N)C(=O)O MCULE-3737584373 [1,0,0,0,0,0|2,0,1]=4 7 B15R1.55 CCCOC1=CC=C(C=C1)C(O)C(=O)O MCULE-5741493058 [1,0,0,0,0,0|2,0,1]=4 8 B15R1.499 C=C(C)CCC1=CC=C(C=C1)OC(=O)C MCULE-6185836790 [1,0,0,0,0,0|3,0,0]=4 9 B15R1.499 C=C(C)COC1=CC=C(C=C1)NC(=O)C MCULE-7400931270 [1,0,0,0,0,0|3,0,0]=4 10 B15R1.499 CC(C)COC1=CC=C(C=C1)CC(=O)O MCULE-1990795531 [1,0,0,0,0,0|1,0,2]=4 11 B17R1.16372 CC(C)COC1=CC=C(C=C1)C(C)(C)C(=O)O MCULE-7763425998 [0,1,0,0,0,0|1,0,2]=4 12 B17R1.104611 CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O MCULE-4373800524 [0,1,0,0,0,0|3,0,0]=4 13 B17R2.19728 CC(C(=O)O)C1=CC=C2N=CC(=CC2=C1)Br MCULE-1576227526 [0,0,0,1,0,0|1,0,2]=4 14 B15R1.12250 CC(=CC1=CC=C(C=C1)C(C)C(=O)O)C MCULE-6190247495 [0,0,0,0,1,0|0,0,2]=3 15 B15R1.12250 CC(=O)C(C)C1=CC=C(C=C1)CC(C)C MCULE-6254402442 [0,0,0,0,1,0|1,0,2]=4 16 B15R1.12250 CC(=O)NC1=CC=C(C=C1)C(C)C(=O)O MCULE-8644789320 [0,0,0,0,1,0|1,0,0]=2 17 B15R1.12250 CC(=O)NC1=CC=C(C=C1)N(C)C(=O)C MCULE-7012717826 [0,0,0,0,1,0|3,0,0]=4 18 B15R1.12250 CC(C)CC1=CC=C(C=C1)C(C)C(=O)Cl MCULE-2477947423 [0,0,0,0,1,0|1,0,2]=4 19 B15R1.12250 CC(C)CC1=CC=C(C=C1)C(C)C(=O)N MCULE-7082233294 [0,0,0,0,1,0|1,0,2]=4 20 B15R1.12250 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O MCULE-9475454445 [0,0,0,0,1,0|0,0,2]=3 21 B15R1.12250 CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-] MCULE-8543222879 [0,0,0,0,1,0|0,0,3]=4 22 B15R1.12250 CC(C)CC1=CC=C(C=C1)[C@@H](C)C(=O)N MCULE-4883109072 [0,0,0,0,1,0|1,0,2]=4 23 B15R1.12250 CC(C)CC1=CC=C(C=C1)[C@@H](C)C(=O)O MCULE-2705745406 [0,0,0,0,1,0|0,0,2]=3 24 B15R1.12250 CC(C)CC1=CC=C(C=C1)[C@@H](C)C(=O)O MCULE-5291883887 [0,0,0,0,1,0|0,0,2]=3 25 B15R1.12250 CC(C)CC1=CC=C(C=C1)[C@H](C)C(=O)O MCULE-6401400613 [0,0,0,0,1,0|0,0,2]=3 26 B15R1.12250 CC(C)CC1=CC=C(C=C1)[C@H](C)C(=O)O MCULE-7632594346 [0,0,0,0,1,0|0,0,2]=3 27 B15R1.12250 CC(C)SC1=CC=C(C=C1)C(C)C(=O)O MCULE-6443204378 [0,0,0,0,1,0|1,0,2]=4 28 B17R1.9287 CC(C)CCC1=CC=C(C=C1)C(C)CC(=O)O MCULE-3225469281 [0,0,0,0,0,1|1,0,2]=4 29 B17R1.9288 CC(=O)CCC1=CC=C(C=C1)OC(C)C(=O)O MCULE-7963366245 [0,0,0,0,0,1|2,0,0]=3 30 B14R1.68 C=CCOC1=CC=C(C=C1)CC(=O)O MCULE-3016064383 [2,0,0,0,0,0|1,0,0]=3 31 B14R1.68 CCCCC1=CC=C(C=C1)CC(=O)O MCULE-6585663085 [2,0,0,0,0,0|1,0,1]=4 32 B14R1.68 CCCOC1=CC=C(C=C1)CC(=O)O MCULE-4526933926 [2,0,0,0,0,0|1,0,1]=4 33 B14R1.141 CCCC1=CC=C(C=C1)C(C)C(=O)O MCULE-1255714462 [2,0,0,0,0,0|0,0,1]=3 34 B14R1.141 CCOC1=CC=C(C=C1)C(N)C(=O)O MCULE-9019964904 [2,0,0,0,0,0|2,0,0]=4 35 B14R1.141 CCOC1=CC=C(C=C1)C(O)C(=O)O MCULE-8561069062 [2,0,0,0,0,0|2,0,0]=4 36 B14R1.141 COCC1=CC=C(C=C1)C(C)C(=O)O MCULE-2056983932 [2,0,0,0,0,0|1,0,0]=3 37 B14R1.419 C=C(C)CCC1=CC=C(C=C1)C(C)C MCULE-3021787356 [2,0,0,0,0,0|1,0,1]=4 38 B14R1.419 C=C(C)COC1=CC=C(C=C1)C(=O)C MCULE-6856696302 [2,0,0,0,0,0|1,0,1]=4 39 B16R1.6676 CCCOC1=CC=C(C=C1)C(C)(N)C(=O)O MCULE-3436210296 [1,1,0,0,0,0|1,0,1]=4 40 B16R1.6676 CCCOC1=CC=C(C=C1)C(C)(N)C(=O)O MCULE-9966810279 [1,1,0,0,0,0|1,0,1]=4 41 B16R1.1139 CNC(=O)COC1=CC=C(C=C1)CC(=O)O MCULE-4264609904 [1,1,0,0,0,0|2,0,0]=4 42 B16R1.1139 COC(=O)CCC1=CC=C(C=C1)CC(=O)O MCULE-1975303244 [1,1,0,0,0,0|2,0,0]=4 43 B16R1.1139 COC(=O)COC1=CC=C(C=C1)CC(=O)O MCULE-7450433671 [1,1,0,0,0,0|2,0,0]=4 44 B16R1.1636 CC(C)CC1=CC=C(C=C1)C(C)C(=O)NO MCULE-1644914455 [0,1,0,0,1,0|0,0,2]=4 45 B16R1.1636 COC(=O)C(C)C1=CC=C(C=C1)CC(C)C MCULE-4705961946 [0,1,0,0,1,0|0,0,2]=4 46 B16R1.1636 COC(=O)[C@@H](N)C1=CC=C(C=C1)NC(=O)C MCULE-1135487198 [0,1,0,0,1,0|2,0,0]=4 47 B16R1.1636 COC(=O)[C@@H](N)C1=CC=C(C=C1)NC(=O)C MCULE-9472955494 [0,1,0,0,1,0|2,0,0]=4 48 B16R1.1636 COC(=O)[C@H](N)C1=CC=C(C=C1)NC(=O)C MCULE-5981556531 [0,1,0,0,1,0|2,0,0]=4 49 B16R1.1636 COC(=O)[C@H](N)C1=CC=C(C=C1)NC(=O)C MCULE-7954224821 [0,1,0,0,1,0|2,0,0]=4 50 B16R1.1636 [C@@H](C)(C(=O)OC)C1=CC=C(C=C1)CC(C)C MCULE-3786375197 [0,1,0,0,1,0|0,0,2]=4 51 B16R1.1677 CCC(C(=O)O)C1=CC=C(C=C1)CC(C)C MCULE-4490878107 [0,1,0,0,1,0|0,0,2]=4 52 B16R1.1677 CC[C@@H](C(=O)O)C1=CC=C(C=C1)CC(C)C MCULE-1209722674 [0,1,0,0,1,0|0,0,2]=4 53 B16R1.4124 CC(C(=O)O)C1=CC=C(C=C1)CC(C)(C)O MCULE-6862064250 [0,1,0,0,1,0|0,0,2]=4 54 B16R1.24540 CC(C(=O)O)C1=CC=C(C=C1)C(Br)C(C)C MCULE-8839883609 [0,1,0,0,1,0|0,0,2]=4 55 B16R1.24540 CC(C(=O)O)C1=CC=C(C=C1)C(O)C(C)C MCULE-1374792416 [0,1,0,0,1,0|0,0,2]=4 56 B16R2.6284 CC(C(=O)O)C1=CC2=C(C=C1)N=CC=C2 MCULE-5328081478 [1,0,0,1,0,0|0,0,2]=4 57 B16R2.6284 CC(C(=O)O)C1=CC2=C(C=CC=C2)C=C1 MCULE-2468277732 [1,0,0,1,0,0|1,0,1]=4 58 B16R2.49470 CC(C(=O)O)C1=CC=C(C=C1)C2CNC2 MCULE-2532851053 [1,0,0,1,0,0|2,0,0]=4 59 B16R2.49470 CC(C(=O)O)C1=CC=C(C=C1)C2CNC2 MCULE-7719074662 [1,0,0,1,0,0|2,0,0]=4 60 B16R2.11975 CC1=CC2=CC(=CC=C2N=C1)CC(=O)O MCULE-9344751697 [1,0,0,1,0,0|0,0,2]=4 61 B16R2.3946 CC(=O)NC1=CC2=C(C=C1)N(C(=O)O2)C MCULE-2836383476 [0,0,0,1,1,0|2,0,0]=4 62 B18R2.528789 C=C(C)COC1=CC2=C(C=C1)C(=CC(=O)O2)C MCULE-5015331645 [0,0,0,1,0,1|1,0,1]=4 63 B18R2.17885 COC1=CC2=CC(=CC=C2C=C1)C(C)C(=O)O MCULE-2190866390 [0,1,0,1,0,0|1,0,1]=4 64 B14R1.805 C=C(C)CC1=CC=C(C=C1)OC(=O)C MCULE-6933271055 [1,0,0,0,1,0|2,0,0]=4 65 B14R1.805 CC(=O)CC1=CC=C(C=C1)NC(=O)C MCULE-4281899235 [1,0,0,0,1,0|2,0,0]=4 66 B14R1.805 CC(=O)NC1=CC=C(C=C1)CC(=O)O MCULE-7045967741 [1,0,0,0,1,0|1,0,0]=3 67 B14R1.805 CC(=O)OC1=CC=C(C=C1)CC(=O)O MCULE-5606823269 [1,0,0,0,1,0|2,0,0]=4 68 B14R1.805 CC(C)CC1=CC=C(C=C1)CC(=O)O MCULE-9215319549 [1,0,0,0,1,0|0,0,2]=4 69 B14R1.805 CN(C)CC1=CC=C(C=C1)CC(=O)O MCULE-4462021956 [1,0,0,0,1,0|1,0,1]=4 70 B14R1.805 CN(C)CC1=CC=C(C=C1)CC(=O)O MCULE-9097366174 [1,0,0,0,1,0|1,0,1]=4 71 B14R1.805 NC(=O)NC1=CC=C(C=C1)CC(=O)O MCULE-9936363602 [1,0,0,0,1,0|2,0,0]=4 72 B14R1.805 O=C(O)CC1=CC=C(C=C1)CC(=O)O MCULE-1758863091 [1,0,0,0,1,0|2,0,0]=4 73 B14R1.717 CC(C)CC1=CC=C(C=C1)C(C)C=O MCULE-4882551483 [1,0,0,0,1,0|0,0,2]=4 74 B14R1.6402 CC(C(=O)O)C1=CC=C(C=C1)C(=O)N MCULE-6974122363 [0,0,0,0,2,0|2,0,0]=4 75 B14R1.6402 CC(C(=O)O)C1=CC=C(C=C1)C(=O)O MCULE-3278431470 [0,0,0,0,2,0|2,0,0]=4 76 B14R1.6402 CC(C(=O)O)C1=CC=C(C=C1)N(C)C MCULE-4653378554 [0,0,0,0,2,0|1,0,1]=4 77 B16R1.69 C=CCOC1=CC=C(C=C1)CC(N)C(=O)O MCULE-6995898875 [1,0,0,0,0,1|2,0,0]=4 78 B16R1.69 C=CCOC1=CC=C(C=C1)CC(N)C(=O)O MCULE-9548688233 [1,0,0,0,0,1|2,0,0]=4 79 B16R1.69 C=CCOC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-7465504904 [1,0,0,0,0,1|2,0,0]=4 80 B16R1.69 COCCC1=CC=C(C=C1)OC(C)C(=O)O MCULE-8836132385 [1,0,0,0,0,1|2,0,0]=4 81 B16R1.603 CC(=O)CCC1=CC=C(C=C1)OCC(=O)O MCULE-7560330422 [1,0,0,0,0,1|2,0,0]=4