0 B22R2.16343 CCCCCC1=CC=C(C=C1)C(=O)CCC2OCCCO2 MCULE-1880374223 [0,0,0,0,0,0|4,0,0]=4 1 B22R2.16343 CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2 MCULE-1206604674 [0,0,0,0,0,0|0,0,0]=0 2 B22R2.16343 CCCCOC1=CC=C(C=C1)C(=O)CCN2CCOCC2 MCULE-5050829171 [0,0,0,0,0,0|1,0,0]=1 3 B22R2.16343 CCCCOC1=CC=C(C=C1)C(=O)CCN2CCOCC2 MCULE-9426516412 [0,0,0,0,0,0|1,0,0]=1 4 B22R2.16343 CCCCOC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCC2 MCULE-3987805129 [0,0,0,0,0,0|0,0,1]=1 5 B21R2.3422 CCCCC1=CC=C(C=C1)C(=O)CCC2OCCCO2 MCULE-1333236984 [1,0,0,0,0,0|3,0,0]=4 6 B21R2.3422 CCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2 MCULE-4699131569 [1,0,0,0,0,0|0,0,0]=1 7 B21R2.3422 CCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2 MCULE-6102604503 [1,0,0,0,0,0|0,0,0]=1 8 B21R2.3422 CCCOC1=CC=C(C=C1)C(=O)CCN2CCOCC2 MCULE-2215418339 [1,0,0,0,0,0|1,0,0]=2 9 B21R2.3422 CCCOC1=CC=C(C=C1)C(=O)CCN2CCOCC2 MCULE-9235968059 [1,0,0,0,0,0|1,0,0]=2 10 B21R2.13853 CCCCNC1=CC=C(C=C1)OCCC2CCCCC2 MCULE-3793198742 [1,0,0,0,0,0|3,0,0]=4 11 B21R2.13853 CCCCOC1=CC=C(C=C1)OCCN2CCOCC2 MCULE-2212174640 [1,0,0,0,0,0|2,0,0]=3 12 B21R2.13853 CCCCOC1=CC=C(C=C1)OCCN2CCOCC2 MCULE-3673021489 [1,0,0,0,0,0|2,0,0]=3 13 B23R2.28732 CCCCCOC1=CC=C(C=C1)C(=O)CCN2CCOCC2 MCULE-9305486479 [0,1,0,0,0,0|1,0,0]=2 14 B23R2.28732 CCCCCOC1=CC=C(C=C1)C(=O)CC[NH+]2CCOCC2 MCULE-5301016657 [0,1,0,0,0,0|1,0,1]=3 15 B23R2.29534 CC(C)CCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2 MCULE-5620518456 [0,1,0,0,0,0|0,0,0]=1 16 B23R2.29534 CC(C)CCOC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCC2 MCULE-4754360029 [0,1,0,0,0,0|0,0,1]=2 17 B23R3.1958056 O=C(CCN1CCCCC1)C2=CC3=C(C=C2)OCCCO3 MCULE-5133685051 [0,0,0,1,0,0|1,0,0]=2 18 B23R3.1958056 O=C(CCN1CCOCC1)C2=CC3=C(C=C2)OCCCO3 MCULE-2858905978 [0,0,0,1,0,0|2,0,0]=3 19 B23R3.1958056 O=C(CCN1CCOCC1)C2=CC3=C(C=C2)OCCCO3 MCULE-5044232186 [0,0,0,1,0,0|2,0,0]=3 20 B23R3.1958056 O=C(CC[NH+]1CCCCC1)C2=CC=C3OCCCOC3=C2 MCULE-7586562918 [0,0,0,1,0,0|1,0,1]=3 21 B21R2.2960 CCCCCC1=CC=C(C=C1)C(=O)CCC2CCCC2 MCULE-7994533645 [0,0,0,0,1,0|2,0,0]=3 22 B21R2.2960 CCCCOC1=CC=C(C=C1)C(=O)NCC2CCCO2 MCULE-5057137881 [0,0,0,0,1,0|3,0,0]=4 23 B21R2.13804 CCCCCC1=CC=C(C=C1)C(=O)NC2CCCCC2 MCULE-4162347453 [0,0,0,0,1,0|3,0,0]=4 24 B21R2.13804 CCCCOC1=CC=C(C=C1)C(=O)CN2CCOCC2 MCULE-2608356224 [0,0,0,0,1,0|1,0,0]=2 25 B21R2.13804 CCCCOC1=CC=C(C=C1)C(=O)NN2CCOCC2 MCULE-2025894536 [0,0,0,0,1,0|2,0,0]=3 26 B21R2.13804 COCCOC1=CC=C(C=C1)C(=O)NC2CCCCC2 MCULE-4919154296 [0,0,0,0,1,0|3,0,0]=4 27 B23R2.2785 CCCCOC1=CC=C(C=C1)NC(=O)CCC2CCCCC2 MCULE-5015193422 [0,0,0,0,0,1|1,0,0]=2 28 B23R2.2785 CCCCOC1=CC=C(C=C1)NC(=O)CSC2CCCCC2 MCULE-2332807246 [0,0,0,0,0,1|2,0,0]=3 29 B23R2.2801 CCCCOC1=CC=C(C=C1)C(=O)NCCC2=CCCCC2 MCULE-6011209345 [0,0,0,0,0,1|1,0,1]=3 30 B23R2.2801 CCCCOC1=CC=C(C=C1)C(=O)NCCN2CCOCC2 MCULE-4446864423 [0,0,0,0,0,1|1,0,0]=2 31 B23R2.2801 COCCOC1=CC=C(C=C1)C(=O)NCCC2=CCCCC2 MCULE-2410159223 [0,0,0,0,0,1|2,0,1]=4 32 B20R1.246 CCCCCCCCNC1=CC=C(C=C1)OCCCC MCULE-6691277762 [1,0,1,0,0,0|2,0,0]=4 33 B20R1.7590 CCCCCCCCC(=O)C1=CC=C(C=C1)CCCC MCULE-6698455149 [1,0,1,0,0,0|1,0,0]=3 34 B20R1.7590 CCCCCCCCC(=O)C1=CC=C(C=C1)OCCO MCULE-9238087740 [1,0,1,0,0,0|2,0,0]=4 35 B20R1.34340 CCCCOC1=CC=C(C=C1)C(=O)CCN(CC)CC MCULE-6810803986 [1,0,1,0,0,0|0,0,0]=2 36 B20R2.3356 CCCOC1=CC=C(C=C1)OCCN2CCOCC2 MCULE-7250966446 [2,0,0,0,0,0|2,0,0]=4 37 B20R2.3356 CCCOC1=CC=C(C=C1)OCCN2CCOCC2 MCULE-9975199904 [2,0,0,0,0,0|2,0,0]=4 38 B20R2.4553 CCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2 MCULE-7821177114 [2,0,0,0,0,0|0,0,0]=2 39 B20R2.4553 CCOC1=CC=C(C=C1)C(=O)CCN2CCOCC2 MCULE-3207079418 [2,0,0,0,0,0|1,0,0]=3 40 B20R2.4553 CCOC1=CC=C(C=C1)C(=O)CCN2CCOCC2 MCULE-6292859998 [2,0,0,0,0,0|1,0,0]=3 41 B22R1.5152468 CCCCCCCCC(=O)C1=CC=C(C=C1O)OCCCC MCULE-6501771066 [0,1,1,0,0,0|1,0,0]=3 42 B22R2.15257 CC(C)COC1=CC=C(C=C1)C(=O)CCN2CCCCC2 MCULE-5417945088 [1,1,0,0,0,0|0,0,0]=2 43 B22R2.15257 CC(C)COC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCC2 MCULE-9991603353 [1,1,0,0,0,0|0,0,1]=3 44 B22R2.3023292 CCCOC1=CC=C(C=C1)C(=O)CC[N+]2(CCCCC2)C MCULE-1115106319 [1,1,0,0,0,0|0,0,1]=3 45 B22R2.3023292 CCCOC1=CC=C(C=C1)C(=O)CC[N+]2(CCCCC2)C MCULE-8211147259 [1,1,0,0,0,0|0,0,1]=3 46 B22R2.16350 CCCCOC1=CC=C(C=C1)C=CC(=O)N2CCCCC2 MCULE-3546509066 [1,1,0,0,0,0|0,0,2]=4 47 B22R2.16384 CCCCOC1=CC=C(C=C1)OCCN2CCN(CC2)C MCULE-3585785728 [1,1,0,0,0,0|2,0,0]=4 48 B22R2.16384 CCCCOC1=CC=C(C=C1)OCCN2CCN(CC2)C MCULE-9968523678 [1,1,0,0,0,0|2,0,0]=4 49 B22R2.15841 CCCCCCC1=CC=C(C=C1)C(=O)CCC2CCCC2 MCULE-2615044615 [0,1,0,0,1,0|2,0,0]=4 50 B22R2.16333 CCCCOC1=CC=C(C=C1)C(=O)NN2CCN(CC2)C MCULE-3220457448 [0,1,0,0,1,0|2,0,0]=4 51 B22R2.26043 CCOCCOC1=CC=C(C=C1)C(=O)NC2CCCCC2 MCULE-6143266611 [0,1,0,0,1,0|2,0,0]=4 52 B22R2.376226 CCCCOC1=CC=C(C=C1)C(=O)NC2CCCCC2C MCULE-1352673314 [0,1,0,0,1,0|2,0,0]=4 53 B24R2.71928 CCCCOC1=CC=C(C=C1)S(=O)(=O)NCCN2CCOCC2 MCULE-2295535725 [0,1,0,0,0,1|2,0,0]=4 54 B24R2.1238788 CCCCOC1=CC(=C(C=C1)C(=O)OCCN2CCCCC2)O MCULE-6584543161 [0,1,0,0,0,1|0,0,0]=2 55 B24R2.1238788 CCCCOC1=CC(=C(C=C1)C(=O)OCCN2CCCCC2)O MCULE-9878615592 [0,1,0,0,0,1|0,0,0]=2 56 B22R3.63903 O=C(CCN1CCCCC1)C2=CC3=C(C=C2)OCCO3 MCULE-5303277691 [1,0,0,1,0,0|1,0,0]=3 57 B22R3.63903 O=C(CCN1CCOCC1)C2=CC3=C(C=C2)OCCO3 MCULE-8785152662 [1,0,0,1,0,0|2,0,0]=4 58 B22R3.63903 O=C(CC[NH+]1CCCCC1)C2=CC3=C(C=C2)OCCO3 MCULE-8626482886 [1,0,0,1,0,0|1,0,1]=4 59 B22R3.806 O=C(CN1CCOCC1)C2=CC=C(C=C2)C3CCCC3 MCULE-2451330223 [0,0,0,1,1,0|2,0,0]=4 60 B22R3.806 O=C(CN1CCOCC1)C2=CC=C(C=C2)C3CCCC3 MCULE-6297522929 [0,0,0,1,1,0|2,0,0]=4 61 B24R3.4455 O=C(CCN1CCCCC1)NC2=CC=C(C=C2)C3CCCC3 MCULE-2473873142 [0,0,0,1,0,1|1,0,0]=3 62 B24R3.4455 O=C(CCN1CCCCC1)NC2=CC=C(C=C2)C3CCCC3 MCULE-7231373618 [0,0,0,1,0,1|1,0,0]=3 63 B24R3.28990513 O=C(CC[NH+]1CCCCCC1)C2=CC3=C(C=C2)OCCCO3 MCULE-4625353250 [0,0,0,1,0,1|1,0,1]=4 64 B24R3.28990513 O=C(CC[NH+]1CCCCCC1)C2=CC3=C(C=C2)OCCCO3 MCULE-5700995813 [0,0,0,1,0,1|1,0,1]=4 65 B24R3.1994207 O=C(CCN1CCOCC1)C2=CC3=C(C=C2)OCCCCO3 MCULE-4329884257 [0,1,0,1,0,0|1,0,0]=3 66 B24R3.1994207 O=C(CCN1CCOCC1)C2=CC3=C(C=C2)OCCCCO3 MCULE-7639138350 [0,1,0,1,0,0|1,0,0]=3 67 B24R3.1994207 O=C(CC[NH+]1CCCCC1)C2=CC=C3OCCCCOC3=C2 MCULE-2486098079 [0,1,0,1,0,0|0,0,1]=3 68 B24R3.1994207 O=C(CC[NH+]1CCCCC1)C2=CC=C3OCCCCOC3=C2 MCULE-7058520590 [0,1,0,1,0,0|0,0,1]=3 69 B20R2.4214 CCCCC1=CC=C(C=C1)C(=O)CCC2CCCC2 MCULE-8354194925 [1,0,0,0,1,0|1,0,0]=3 70 B20R2.11318 CCCCOC1=CC=C(C=C1)/C=N/N2CCOCC2 MCULE-3354683129 [1,0,0,0,1,0|2,0,0]=4 71 B20R2.11318 CCCCOC1=CC=C(C=C1)C=NN2CCOCC2 MCULE-3937727790 [1,0,0,0,1,0|2,0,0]=4 72 B20R2.11303 CCCCOC1=CC=C(C=C1)C(=O)NC2CCCC2 MCULE-5625864036 [0,0,0,0,2,0|2,0,0]=4 73 B20R2.11291 CCCCCC1=CC=C(C=C1)C(=O)C2CCCCC2 MCULE-2199458976 [0,0,0,0,2,0|2,0,0]=4 74 B20R2.11291 CCCCOC1=CC=C(C=C1)C(=O)N2CCOCC2 MCULE-3239722312 [0,0,0,0,2,0|1,0,0]=3 75 B20R2.11291 CCCCOC1=CC=C(C=C1)C(=S)N2CCOCC2 MCULE-5237131395 [0,0,0,0,2,0|1,1,0]=4 76 B22R2.4106 CCCCC1=CC=C(C=C1)NC(=O)CCC2CCCCC2 MCULE-9798918262 [1,0,0,0,0,1|1,0,0]=3 77 B22R2.4122 C=CCOC1=CC=C(C=C1)C(=O)OCCN2CCCCC2 MCULE-2307514724 [1,0,0,0,0,1|0,0,2]=4 78 B22R2.4122 C=CCOC1=CC=C(C=C1)C(=O)OCCN2CCCCC2 MCULE-4832519540 [1,0,0,0,0,1|0,0,2]=4 79 B22R2.4122 CCCCC1=CC=C(C=C1)C(=O)NCCN2CCCCC2 MCULE-2437962454 [1,0,0,0,0,1|0,0,0]=2 80 B22R2.4122 CCCCC1=CC=C(C=C1)C(=O)NCCN2CCOCC2 MCULE-7610661035 [1,0,0,0,0,1|1,0,0]=3 81 B22R2.4122 CCCOC1=CC=C(C=C1)C(=O)NCCN2CCCCC2 MCULE-1193669072 [1,0,0,0,0,1|0,0,0]=2 82 B22R2.4122 CCCOC1=CC=C(C=C1)C(=O)NCCN2CCOCC2 MCULE-4067413219 [1,0,0,0,0,1|1,0,0]=3 83 B22R2.4122 CCCOC1=CC=C(C=C1)C(=O)NCC[NH+]2CCOCC2 MCULE-7326648826 [1,0,0,0,0,1|1,0,1]=4 84 B22R2.16374 CCCCOC1=CC=C(C=C1)OCCCN2CCOCC2 MCULE-1100217744 [1,0,0,0,0,1|1,0,1]=4 85 B22R2.16374 CCCCOC1=CC=C(C=C1)OCCCN2CCOCC2 MCULE-5337294231 [1,0,0,0,0,1|1,0,1]=4 86 B24R2.2583 CCCCOC1=CC=C(C=C1)CNC(=O)CCC2CCCCC2 MCULE-8828060306 [0,0,0,0,0,2|1,0,0]=3