0 B21R3.11589171 C#CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 8c3e3296c7b5ad5a5d9843d934005cba [0,0,0,0,0,0|0,0,2]=2 1 B21R3.11589171 C#CC(C)NCCC1CCc2c1c3c(cc2)OCC3 2cb78b6bc3b0b44370d14728e61d4cca [0,0,0,0,0,0|1,0,3]=4 2 B21R3.11589171 C=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 a4011ac52eb74912f1c38f74b6bf878e [0,0,0,0,0,0|0,0,2]=2 3 B21R3.11589171 C=CC(C)NCCC1CCc2c1c3c(cc2)OCC3 4b25bc6f988f115b445ce4f1e0399556 [0,0,0,0,0,0|1,0,3]=4 4 B21R3.11589171 CC(C#N)NCCC1CCc2c1c3c(cc2)OCC3 4de4d0408bb0a2e0b7bbd8ff07e1c6f7 [0,0,0,0,0,0|2,0,2]=4 5 B21R3.11589171 CC(C=O)NCCC1CCc2c1c3c(cc2)OCC3 5112827ba342376172279040f027dfe1 [0,0,0,0,0,0|2,0,2]=4 6 B21R3.11589171 CC(CO)NCCC1CCc2c1c3c(cc2)OCC3 542aea753c2379dd2df57d670caf9267 [0,0,0,0,0,0|2,0,1]=3 7 B21R3.11589171 CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 7125eea899d9c064e794e8852d4d1a60 [0,0,0,0,0,0|0,0,0]=0 8 B21R3.11589171 CCC(=O)OCOC1CCc2c1c3c(cc2)OCC3 8c88b2f9f898d99e5b9f8c6e85bf4607 [0,0,0,0,0,0|2,0,0]=2 9 B21R3.11589171 CCC(C)CCOC1CCc2c1c3c(cc2)OCC3 f34b7bec7cb9ab5f1f1d0cad0451dc83 [0,0,0,0,0,0|3,0,1]=4 10 B21R3.11589171 CCC(C)NCCC1CCc2c1c3c(cc2)OCC3 02e4c4b5536eb8d55936d81021a50252 [0,0,0,0,0,0|1,0,1]=2 11 B21R3.11589171 CCS(=O)CCOC1CCc2c1c3c(cc2)OCC3 fe677270c72d31f9ee1f429617c5d080 [0,0,0,0,0,0|3,0,0]=3 12 B21R3.11589171 CNC(=O)CCOC1CCc2c1c3c(cc2)OCC3 76fbbbfecf77c6f649b83d124332e5d7 [0,0,0,0,0,0|3,0,0]=3 13 B21R3.11589171 COC(=O)CCOC1CCc2c1c3c(cc2)OCC3 d0194c3af638e052623edffecd7e9093 [0,0,0,0,0,0|3,0,0]=3 14 B21R3.11589171 COC(=O)OCOC1CCc2c1c3c(cc2)OCC3 d7ad9635349d63512628b19b6bae05a0 [0,0,0,0,0,0|3,0,0]=3 15 B21R3.11589171 C[C@@H](CO)NCCC1CCc2c1c3c(cc2)OCC3 176dd01698c54f0288d78c9633e888dc [0,0,0,0,0,0|2,0,1]=3 16 B21R3.11589171 C[C@H](C=O)NCCC1CCc2c1c3c(cc2)OCC3 f4407053350a6debc5f75c38776bcfc7 [0,0,0,0,0,0|2,0,2]=4 17 B21R3.11589171 C[C@H](CO)NCCC1CCc2c1c3c(cc2)OCC3 f9ef4e8e5e235927a13b12ed68e452b8 [0,0,0,0,0,0|2,0,1]=3 18 B21R3.11589171 N#CC(F)NCCC1CCc2c1c3c(cc2)OCC3 80d1408c571c8bf163bf9e2c044db34a [0,0,0,0,0,0|2,0,2]=4 19 B21R3.11589171 O=C(CF)NCCC1CCc2c1c3c(cc2)OCC3 f9829b7ead07a9ba1929e25bb4011007 [0,0,0,0,0,0|1,0,0]=1 20 B21R3.11589171 O=C(CO)NCCC1CCc2c1c3c(cc2)OCC3 325fdf90bebf219bb6aa24739ff1e693 [0,0,0,0,0,0|1,0,0]=1 21 B21R3.11589171 O=C(CS)NCCC1CCc2c1c3c(cc2)OCC3 aeff923e826038a24e4ed46f151a1b27 [0,0,0,0,0,0|1,0,0]=1 22 B21R3.11589171 O=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 c52e9c3bdc38734088daeace8d89e950 [0,0,0,0,0,0|1,0,1]=2 23 B20R3.2980024 C#CCNCCC1CCc2c1c3c(cc2)OCC3 3f88fafe727e0e3d0d3f1e6edddaba8c [1,0,0,0,0,0|0,0,3]=4 24 B20R3.2980024 C=CCNCCC1CCc2c1c3c(cc2)OCC3 f7afceab73067707827085e3cb088bf0 [1,0,0,0,0,0|0,0,3]=4 25 B20R3.2980024 CC/C=C/COC1CCc2c1c3c(cc2)OCC3 9174f417d9742b6afb97360e56086e56 [1,0,0,0,0,0|2,0,0]=3 26 B20R3.2980024 CCC#CCOC1CCc2c1c3c(cc2)OCC3 4faea16c843dd9572dbaba1c0ed8e983 [1,0,0,0,0,0|2,0,1]=4 27 B20R3.2980024 CCCCCOC1CCc2c1c3c(cc2)OCC3 b38382a450da620e841df1e595ac6546 [1,0,0,0,0,0|2,0,1]=4 28 B20R3.2980024 CCCNCCC1CCc2c1c3c(cc2)OCC3 03939236671a9c7e2cddb0811ded0a29 [1,0,0,0,0,0|0,0,1]=2 29 B20R3.2980024 CCOCCOC1CCc2c1c3c(cc2)OCC3 31bcc98e661fc49932d80a5286639f43 [1,0,0,0,0,0|3,0,0]=4 30 B20R3.2980024 CCSCCOC1CCc2c1c3c(cc2)OCC3 a23a925e850de7edfe9359bcaf75fdf3 [1,0,0,0,0,0|3,0,0]=4 31 B20R3.2980024 COCNCCC1CCc2c1c3c(cc2)OCC3 cfae1fe08c6e506519c4a7feb2e2e5aa [1,0,0,0,0,0|1,0,1]=3 32 B20R3.2980024 CSCNCCC1CCc2c1c3c(cc2)OCC3 37e751b77ed0c3bb82356f7fc8aa7977 [1,0,0,0,0,0|1,0,1]=3 33 B20R3.2980024 FCCNCCC1CCc2c1c3c(cc2)OCC3 a230ac323273b087c3f2baa21ecd5dc6 [1,0,0,0,0,0|1,0,1]=3 34 B20R3.2980024 N#CCNCCC1CCc2c1c3c(cc2)OCC3 cc4fb762ff7d30ebae3d9b79ea6837eb [1,0,0,0,0,0|1,0,2]=4 35 B20R3.2980024 O=CCNCCC1CCc2c1c3c(cc2)OCC3 43a5a104a31cc01e5db8b0936f495664 [1,0,0,0,0,0|1,0,2]=4 36 B20R3.2980024 OCCNCCC1CCc2c1c3c(cc2)OCC3 96e4f5802a77464c72e4f16aae3de92c [1,0,0,0,0,0|1,0,1]=3 37 B20R3.2980024 SCCNCCC1CCc2c1c3c(cc2)OCC3 d6e0f5b97deb9a41e47bfc268419ba1a [1,0,0,0,0,0|1,0,1]=3 38 B20R3.21853260 C/C(=C/COC1CCc2c1c3c(cc2)OCC3)/I b838adbe2385be23fb5e05335cbcc625 [1,0,0,0,0,0|3,0,0]=4 39 B20R3.21853260 C/C(=C\COC1CCc2c1c3c(cc2)OCC3)/Cl 7d3e15c7201b76b6648a4d10dc9193f9 [1,0,0,0,0,0|3,0,0]=4 40 B20R3.21853260 C=C(C)CCOC1CCc2c1c3c(cc2)OCC3 524651de66a8719513cc5e1ff133a20b [1,0,0,0,0,0|3,0,0]=4 41 B20R3.21853260 CC(=CCOC1CCc2c1c3c(cc2)OCC3)C 21b423983f8d7d2c3a1aa4cc64f281a8 [1,0,0,0,0,0|3,0,0]=4 42 B20R3.21853260 CC(=CCOC1CCc2c1c3c(cc2)OCC3)Cl 810060333b91d80e4ee95d3058df828a [1,0,0,0,0,0|3,0,0]=4 43 B20R3.21853260 CC(=CCOC1CCc2c1c3c(cc2)OCC3)I 04ffd463d144a0be721f729767d5dbc4 [1,0,0,0,0,0|3,0,0]=4 44 B20R3.21853260 CC(=O)CCOC1CCc2c1c3c(cc2)OCC3 a11d44e532fbcbf0df0b20cabe498991 [1,0,0,0,0,0|2,0,0]=3 45 B20R3.21853260 CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 229e8ad67c7c7262850f5f6a38c9e058 [1,0,0,0,0,0|0,0,0]=1 46 B20R3.21853260 CC(=O)OCOC1CCc2c1c3c(cc2)OCC3 19376c735d0f0a2fa89135a5fae48bef [1,0,0,0,0,0|2,0,0]=3 47 B20R3.21853260 CC(C)NCCC1CCc2c1c3c(cc2)OCC3 63aed0188f80499da1cca95d9f91f501 [1,0,0,0,0,0|1,0,1]=3 48 B20R3.21853260 CS(=O)CCOC1CCc2c1c3c(cc2)OCC3 39ed4b2d4a1dc7db730b81a6bb8ae770 [1,0,0,0,0,0|3,0,0]=4 49 B20R3.21853260 NC(=O)CCOC1CCc2c1c3c(cc2)OCC3 0267f34ea26b1ae09bb561590a320535 [1,0,0,0,0,0|3,0,0]=4 50 B20R3.21853260 NC(=O)SCOC1CCc2c1c3c(cc2)OCC3 a75dd7fffe846a414d7d56cd008b312f [1,0,0,0,0,0|3,0,0]=4 51 B20R3.21853260 O=C(O)CCOC1CCc2c1c3c(cc2)OCC3 b292200016ab1364b0772bde4085db28 [1,0,0,0,0,0|3,0,0]=4 52 B22R3.68419034 CCS(=O)(=O)CCOC1CCc2c1c3c(cc2)OCC3 d607c0bb375c0170cbf57cae463a17d4 [0,1,0,0,0,0|3,0,0]=4 53 B22R3.87769445 C#CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 6585cfaa754d9b8bdbf773076454b6ac [0,1,0,0,0,0|0,0,1]=2 54 B22R3.87769445 C/C=C/C(=O)NCCC1CCc2c1c3c(cc2)OCC3 03e6c7c98db8e8728f5dac9744852760 [0,1,0,0,0,0|0,0,1]=2 55 B22R3.87769445 C=CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 efc4f6ba58c238f8f8ab282a762b2624 [0,1,0,0,0,0|0,0,1]=2 56 B22R3.87769445 CC#CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 dfe82f805cb7170f15a98c2bad4f5f66 [0,1,0,0,0,0|0,0,1]=2 57 B22R3.87769445 CC(CC#N)NCCC1CCc2c1c3c(cc2)OCC3 bfbba4e50ef0ec6012f2cdc714c28c2f [0,1,0,0,0,0|1,0,2]=4 58 B22R3.87769445 CC(CCO)NCCC1CCc2c1c3c(cc2)OCC3 c7537e5226728ea15f1364a1bc8a2326 [0,1,0,0,0,0|1,0,1]=3 59 B22R3.87769445 CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 9abdda185688c1b2208bbe3f67a93d9f [0,1,0,0,0,0|0,0,0]=1 60 B22R3.87769445 CCCC(=O)OCOC1CCc2c1c3c(cc2)OCC3 5340be94833a859aa00fa22d4ad1068e [0,1,0,0,0,0|2,0,0]=3 61 B22R3.87769445 CCCC(C)NCCC1CCc2c1c3c(cc2)OCC3 644697262b73d3a879907281867286a0 [0,1,0,0,0,0|1,0,1]=3 62 B22R3.87769445 CCNC(=O)CCOC1CCc2c1c3c(cc2)OCC3 e0ac7b73e8c056d4cddccc64d5275c94 [0,1,0,0,0,0|2,0,0]=3 63 B22R3.87769445 CCOC(=O)CCOC1CCc2c1c3c(cc2)OCC3 fd9cc0643854dae4911e55e684102dc3 [0,1,0,0,0,0|2,0,0]=3 64 B22R3.87769445 CCOC(=O)OCOC1CCc2c1c3c(cc2)OCC3 ea5c578173096dba5ac697b779ac67f6 [0,1,0,0,0,0|2,0,0]=3 65 B22R3.87769445 CCSC(=O)OCOC1CCc2c1c3c(cc2)OCC3 99823101767058df03e6a44966d36bf6 [0,1,0,0,0,0|2,0,0]=3 66 B22R3.87769445 COCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 80d28cfc22cefef1b80eda999e589c94 [0,1,0,0,0,0|0,0,0]=1 67 B22R3.87769445 COCC(C)NCCC1CCc2c1c3c(cc2)OCC3 3c19f549bc74d34898be955502a925fd [0,1,0,0,0,0|1,0,1]=3 68 B22R3.87769445 CSCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 e56078af1fef1db40b0c6235cf6c8e33 [0,1,0,0,0,0|0,0,0]=1 69 B22R3.87769445 N#CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 15344301026b2ec0f1295cf68957b6d5 [0,1,0,0,0,0|0,0,1]=2 70 B22R3.87769445 N#CNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 27c286985ba325d4cb86bf5f7c9b45f2 [0,1,0,0,0,0|1,0,1]=3 71 B22R3.87769445 N#CNC(=S)NCCC1CCc2c1c3c(cc2)OCC3 55ee618de361ac8cdb4f382e38052125 [0,1,0,0,0,0|1,1,1]=4 72 B22R3.87769445 NOCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 f76d3ccdc751ee679e8fe9baf953cd5e [0,1,0,0,0,0|1,0,0]=2 73 B22R3.87769445 O=C(/C=C/Br)NCCC1CCc2c1c3c(cc2)OCC3 761e74a21951045232ca0ef3f2bd4dd0 [0,1,0,0,0,0|0,0,2]=3 74 B22R3.87769445 O=C(/C=C/Cl)NCCC1CCc2c1c3c(cc2)OCC3 2a3c4c4550f53c9d3e74eefede7fc3b5 [0,1,0,0,0,0|0,0,2]=3 75 B22R3.87769445 O=C(/C=C/I)NCCC1CCc2c1c3c(cc2)OCC3 ce4cf9e1f2ab91fe502b53606b2f1631 [0,1,0,0,0,0|0,0,2]=3 76 B22R3.87769445 O=C(/C=C\Br)NCCC1CCc2c1c3c(cc2)OCC3 9aeb0e652d96e84e49e52b67f6e44532 [0,1,0,0,0,0|0,0,2]=3 77 B22R3.87769445 O=C(/C=C\Cl)NCCC1CCc2c1c3c(cc2)OCC3 d77e6baaab4d4b7c00443b23e46c62c8 [0,1,0,0,0,0|0,0,2]=3 78 B22R3.87769445 O=C(/C=C\I)NCCC1CCc2c1c3c(cc2)OCC3 57d603818da3f8e84f556978f983e545 [0,1,0,0,0,0|0,0,2]=3 79 B22R3.87769445 O=C(C#CBr)NCCC1CCc2c1c3c(cc2)OCC3 40904987df0bf338b14f1f3ed53fec0a [0,1,0,0,0,0|0,0,2]=3 80 B22R3.87769445 O=C(C=CBr)NCCC1CCc2c1c3c(cc2)OCC3 acbacdfe1902815aabc51a2c1cb6f694 [0,1,0,0,0,0|0,0,2]=3 81 B22R3.87769445 O=C(C=CI)NCCC1CCc2c1c3c(cc2)OCC3 2f61c31ce90489ed793423cdf5b8a94c [0,1,0,0,0,0|0,0,2]=3 82 B22R3.87769445 O=C(CCF)NCCC1CCc2c1c3c(cc2)OCC3 a2b8e52b4d75b934b4fa0835ea29f6b6 [0,1,0,0,0,0|0,0,0]=1 83 B22R3.87769445 O=C(CCO)NCCC1CCc2c1c3c(cc2)OCC3 8513966d2a59529f482eee1bc4eb0fc4 [0,1,0,0,0,0|0,0,0]=1 84 B22R3.87769445 O=C(CCS)NCCC1CCc2c1c3c(cc2)OCC3 0e51878aa0151cddf550cdff2404187e [0,1,0,0,0,0|0,0,0]=1 85 B22R3.87769445 O=CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 bb5485678518ecdb6a224fdf3ca893b4 [0,1,0,0,0,0|0,0,1]=2 86 B22R3.88452640 CCC(C=O)NCCC1CCc2c1c3c(cc2)OCC3 2b3bd144a6b351d1fcfd8ff9347907da [0,1,0,0,0,0|0,0,1]=2 87 B22R3.88452640 CCC(CC)NCCC1CCc2c1c3c(cc2)OCC3 4c7dabdf50b7d5ebbf166f8d15b744bf [0,1,0,0,0,0|1,0,1]=3 88 B22R3.88452640 CCC(CO)NCCC1CCc2c1c3c(cc2)OCC3 4a4a1d78afcb8e2b1f2719e4903f31f7 [0,1,0,0,0,0|0,0,2]=3 89 B22R3.88452640 FCC(CF)NCCC1CCc2c1c3c(cc2)OCC3 a7649a63f6eab27fb33a2a63f6f93ddd [0,1,0,0,0,0|2,0,1]=4 90 B22R3.88452640 N#CC(C=O)NCCC1CCc2c1c3c(cc2)OCC3 6ec9bd8c5c70d621b01084b5d44b8945 [0,1,0,0,0,0|1,0,2]=4 91 B22R3.88452640 O=CC(C=O)NCCC1CCc2c1c3c(cc2)OCC3 514fdbf54f67070aa6269e3a6e993f79 [0,1,0,0,0,0|1,0,2]=4 92 B22R3.88452640 OCC(CO)NCCC1CCc2c1c3c(cc2)OCC3 929ed1ca69458846d676205e18db0ceb [0,1,0,0,0,0|1,0,2]=4 93 B22R3.100932942 COC(=O)CC(C)OC1CCc2c1c3c(cc2)OCC3 da0ff46b5864ed95223e0becc0b00a73 [0,1,0,0,0,0|3,0,0]=4 94 B22R3.100932942 COC(=O)C[C@H](C)OC1CCc2c1c3c(cc2)OCC3 13124406bfae3f2ed49a1e949f5f2c48 [0,1,0,0,0,0|3,0,0]=4 95 B22R3.100932942 COC(=O)OC(C)OC1CCc2c1c3c(cc2)OCC3 1156d4b9687f2046b9d440edf89f7a79 [0,1,0,0,0,0|3,0,0]=4 96 B22R3.102872318 C=C(COC1CCc2c1c3c(cc2)OCC3)C(=O)OC cecfbe94e59f907ade2cfe6e69841c9e [0,1,0,0,0,0|3,0,0]=4 97 B22R3.102872318 COC(=O)C(=O)COC1CCc2c1c3c(cc2)OCC3 cf55022449ce1e452009b4a7b56eca34 [0,1,0,0,0,0|3,0,0]=4 98 B22R3.102872318 COC(=O)C(C)COC1CCc2c1c3c(cc2)OCC3 d9905d1d687083e08e1528bd3e5a5083 [0,1,0,0,0,0|3,0,0]=4 99 B22R3.102872318 COC(=O)[C@@H](C)COC1CCc2c1c3c(cc2)OCC3 7bec7497b3aca443c3cb32613484c2e6 [0,1,0,0,0,0|3,0,0]=4 100 B22R3.102872318 COC(=O)[C@H](C)COC1CCc2c1c3c(cc2)OCC3 4a85aedc041a15aff9fff9ff5b9964d9 [0,1,0,0,0,0|3,0,0]=4 101 B22R3.312186534 C=C(Br)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 ce878aab9d072f7866f65920e6fff65b [0,1,0,0,0,0|0,0,2]=3 102 B22R3.312186534 C=C(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 3de87898f4c7ca7ca6c23454b4658b4d [0,1,0,0,0,0|0,0,1]=2 103 B22R3.312186534 C=C(Cl)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 32bc0a1a995d9a3efac1b80781d9172b [0,1,0,0,0,0|0,0,2]=3 104 B22R3.312186534 C=C(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 fe8502a366fc68b37916bb890766b162 [0,1,0,0,0,0|0,0,2]=3 105 B22R3.312186534 CC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 ddf434a18e4c0bd3d51e0502f1056087 [0,1,0,0,0,0|0,0,1]=2 106 B22R3.312186534 CC(=O)C(C)NCCC1CCc2c1c3c(cc2)OCC3 6c4ed36ad102ded1454720c7caaf8065 [0,1,0,0,0,0|1,0,2]=4 107 B22R3.312186534 CC(C)C(=O)OCOC1CCc2c1c3c(cc2)OCC3 142bdd4f2c67fe687adaa3fc4b9bd1ec [0,1,0,0,0,0|2,0,0]=3 108 B22R3.312186534 CC(C)C(C)NCCC1CCc2c1c3c(cc2)OCC3 3a3749c3c44252e1df50da516c0d5a43 [0,1,0,0,0,0|1,0,1]=3 109 B22R3.312186534 CC(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 4b3e2fff98dd64d8dd5b790a86a563ce [0,1,0,0,0,0|0,0,0]=1 110 B22R3.312186534 CC(O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 96841a8d7d04bda36f32334cd71dc078 [0,1,0,0,0,0|0,0,0]=1 111 B22R3.312186534 CC(S)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1309df35da112248a4201c887766970d [0,1,0,0,0,0|0,0,0]=1 112 B22R3.312186534 CN(C)C(=O)CCOC1CCc2c1c3c(cc2)OCC3 0f9c6d72c52add36c8363f5706809a31 [0,1,0,0,0,0|3,0,0]=4 113 B22R3.312186534 C[C@@H](F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 e4c91e5f8ca43af7419414e61da4487f [0,1,0,0,0,0|0,0,0]=1 114 B22R3.312186534 C[C@@H](O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 5a508b855d87b21bfcd0c286c8c74dad [0,1,0,0,0,0|0,0,0]=1 115 B22R3.312186534 C[C@H](F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 9a188a0b8f876bc7ae6b7d6cd76871ad [0,1,0,0,0,0|0,0,0]=1 116 B22R3.312186534 C[C@H](O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 a0e4d9da0b67cce79a8a4123b295cb6b [0,1,0,0,0,0|0,0,0]=1 117 B22R3.312186534 NC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 a060e81bcf64266a3eca8ac4166afca4 [0,1,0,0,0,0|1,0,1]=3 118 B22R3.312186534 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)F f13db712514cfb4071db4595ed860b0c [0,1,0,0,0,0|1,0,0]=2 119 B22R3.312186534 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(O)O 6ff308e8acabd281cab7d7b5f743efff [0,1,0,0,0,0|1,0,0]=2 120 B20R2.247532 C=CC(=O)NCCCOCc1ccc2c(c1)CCO2 7b10cc3b3b4e05ff0144e065c54a6073 [0,0,1,0,0,0|1,0,2]=4 121 B20R2.247532 C=CC(=O)NCCNCCc1ccc2c(c1)CCO2 7211618eb1e1d85e00da4ddd247c03fe [0,0,1,0,0,0|1,0,2]=4 122 B20R2.247532 C=CC(=O)NCCOCCc1ccc2c(c1)CCO2 70656f977450283d1bcbc5849906d25a [0,0,1,0,0,0|1,0,2]=4 123 B20R2.247532 CCC(=O)CCCCNCc1ccc2c(c1)CCC2 9df835b8a2f8ddf83d685f85f5e75c24 [0,0,1,0,0,0|3,0,0]=4 124 B20R2.247532 CCC(=O)CCCCNCc1ccc2c(c1)CCO2 63091a636776caf2ea347d2c76e38b50 [0,0,1,0,0,0|2,0,0]=3 125 B20R2.247532 CCC(=O)CCCCOCc1ccc2c(c1)CCC2 4caa6c0673315ca50f7ab700d9bf8d55 [0,0,1,0,0,0|3,0,0]=4 126 B20R2.247532 CCC(=O)CCCCOCc1ccc2c(c1)CCO2 5543082fdc180ecf3f3004da92fccc2c [0,0,1,0,0,0|2,0,0]=3 127 B20R2.247532 CCC(=O)NCCNCCc1ccc2c(c1)CCO2 9640b7cb6673976fd7e3d29e82c8e597 [0,0,1,0,0,0|1,0,0]=2 128 B20R2.247532 CCC(=O)NCCNCCc1ccc2occc2c1 014898e0772b19cef95096c5eb90ff9b [0,0,1,0,0,0|1,0,2]=4 129 B20R2.247532 CCC(=O)NCCOCCc1ccc2c(c1)CCO2 6b57562901aa787374fdd31a83825bc7 [0,0,1,0,0,0|1,0,0]=2 130 B20R2.247532 CCC(=O)NCCOCCc1ccc2occc2c1 a28c823d64a85a11ae149f178ade086e [0,0,1,0,0,0|1,0,2]=4 131 B20R2.247532 CCC(=O)OCCOCCc1ccc2c(c1)CCO2 318f1fdb133d5f08c2708aa9dc53d465 [0,0,1,0,0,0|2,0,0]=3 132 B20R2.247532 CCC(=O)OCOCCCc1ccc2c(c1)CCO2 06694e383eecadefc6a19fcf3b899856 [0,0,1,0,0,0|2,0,0]=3 133 B20R2.247532 CCS(=O)CCOCCCc1ccc2c(c1)CCO2 b7d3451068f96bad897aab1b262d4f5d [0,0,1,0,0,0|3,0,0]=4 134 B20R2.247532 CNC(=O)CCCOCCc1ccc2c(c1)CCO2 c800eb99ce828a306bcde1e156fcd61c [0,0,1,0,0,0|3,0,0]=4 135 B20R2.247532 CNC(=O)CCOCCCc1ccc2c(c1)CCO2 60a37e304702949e232a3ccc8560e0b9 [0,0,1,0,0,0|3,0,0]=4 136 B20R2.247532 COC(=O)CCCCCNc1ccc2c(c1)CCO2 1b376446cbc9e920f3e7ef81a5e889b7 [0,0,1,0,0,0|3,0,0]=4 137 B20R2.247532 COC(=O)CCCCCOc1ccc2c(c1)CCO2 e7018bcbc05a94affaf4ef225b6e950a [0,0,1,0,0,0|3,0,0]=4 138 B20R2.247532 COC(=O)CCCCNCc1ccc2c(c1)CCO2 c98264070fcee647d92a9d4d19c68272 [0,0,1,0,0,0|3,0,0]=4 139 B20R2.247532 COC(=O)CCCCOCc1ccc2c(c1)CCO2 9936f90d9d2a0d6c7eb5cd9fda8afe37 [0,0,1,0,0,0|3,0,0]=4 140 B20R2.247532 COC(=O)CCCNCCc1ccc2c(c1)CCO2 57b64ef8cc89140ac16d848166f98f39 [0,0,1,0,0,0|3,0,0]=4 141 B20R2.247532 COC(=O)CCCOCCc1ccc2c(c1)CCO2 f358a876ca9de40ad3787d64ce940ccc [0,0,1,0,0,0|3,0,0]=4 142 B20R2.247532 COC(=O)CCOCCCc1ccc2c(c1)CCO2 b6c71c9d524c507eaf3a16066b820265 [0,0,1,0,0,0|3,0,0]=4 143 B20R2.247532 COC(=O)OCCOCCc1ccc2c(c1)CCO2 65ebb7fe5aff7ab64d3c48ed1e1c904a [0,0,1,0,0,0|3,0,0]=4 144 B20R2.247532 COC(=O)OCOCCCc1ccc2c(c1)CCO2 1f92c932e45eab4211793e1f50d87c19 [0,0,1,0,0,0|3,0,0]=4 145 B22R4.1442325 c1cc2c(c3c1CCC3CCNC4CCC4)CCO2 a00736b963622e1dfc7703271b3f26ac [0,0,0,1,0,0|1,0,1]=3 146 B22R4.1442325 c1cc2c(c3c1CCC3CCNC4COC4)CCO2 51562be5dccb72dab8984244a70fb0b2 [0,0,0,1,0,0|2,0,1]=4 147 B22R4.1628020 O=C1OCC1COC2CCc3c2c4c(cc3)OCC4 d4dd559f6d4a170af4a9733cdf423545 [0,0,0,1,0,0|3,0,0]=4 148 B20R3.693323 C=C(CC)COC1CCc2c1c3c(cc2)OCC3 c9c5ef683436b21cac50b90f7883fce7 [0,0,0,0,1,0|2,0,0]=3 149 B20R3.693323 C=C(COC1CCc2c1c3c(cc2)OCC3)OC ae92184d93517262c5a48215c12be30e [0,0,0,0,1,0|3,0,0]=4 150 B20R3.693323 CCC(=O)COC1CCc2c1c3c(cc2)OCC3 ade2f6491d85844fdc059424dcd23407 [0,0,0,0,1,0|1,0,0]=2 151 B20R3.693323 CCC(C)COC1CCc2c1c3c(cc2)OCC3 a959e7fce3aeedd50c60245edbf3ad27 [0,0,0,0,1,0|2,0,1]=4 152 B20R3.693323 CC[C@@H](C)COC1CCc2c1c3c(cc2)OCC3 7996f102d3a753f38ea22455d56d7abc [0,0,0,0,1,0|2,0,1]=4 153 B20R3.693323 CC[C@H](C)COC1CCc2c1c3c(cc2)OCC3 05ccd3f70c5dceeb69cee7d7c59c4ab6 [0,0,0,0,1,0|2,0,1]=4 154 B20R3.693323 CNC(=O)COC1CCc2c1c3c(cc2)OCC3 b08f39b6067c395c6a32564429a2f152 [0,0,0,0,1,0|2,0,0]=3 155 B20R3.693323 COC(=O)COC1CCc2c1c3c(cc2)OCC3 ca8f1485f1fff4c17099e745a8470144 [0,0,0,0,1,0|2,0,0]=3 156 B22R3.100253165 C=C(C#N)CNCCC1CCc2c1c3c(cc2)OCC3 df2fa8ffe8b8ccdc80d8623609abaf15 [0,0,0,0,0,1|2,0,1]=4 157 B22R3.100253165 C=C(CC)CNCCC1CCc2c1c3c(cc2)OCC3 62fea66b866cdee45ccad746c44c2b43 [0,0,0,0,0,1|1,0,0]=2 158 B22R3.100253165 C=C(CNCCC1CCc2c1c3c(cc2)OCC3)OC a7378be0f12d5dd13a3686a1e7b16ed8 [0,0,0,0,0,1|2,0,0]=3 159 B22R3.100253165 C=C(CO)CNCCC1CCc2c1c3c(cc2)OCC3 24bd788e1cea25b766ffa432ff4096d5 [0,0,0,0,0,1|2,0,0]=3 160 B22R3.100253165 C=CC(=O)CCCOC1CCc2c1c3c(cc2)OCC3 1a19242f0f5b4a91730bea30adb56332 [0,0,0,0,0,1|1,0,2]=4 161 B22R3.100253165 C=CC(=O)OCCOC1CCc2c1c3c(cc2)OCC3 4eb6d4af21ef142da71ac6297c7639cd [0,0,0,0,0,1|1,0,2]=4 162 B22R3.100253165 CC(CO)CNCCC1CCc2c1c3c(cc2)OCC3 d8697c6fb10d7f9ed54cb9bdaf6b1345 [0,0,0,0,0,1|2,0,1]=4 163 B22R3.100253165 CCC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 d3ef8cdcd79e70c09ac8fc7315e58bb8 [0,0,0,0,0,1|0,0,0]=1 164 B22R3.100253165 CCC(C)CNCCC1CCc2c1c3c(cc2)OCC3 b3098f8d222a61fa00360652af8580f8 [0,0,0,0,0,1|1,0,1]=3 165 B22R3.100253165 CCC(O)CNCCC1CCc2c1c3c(cc2)OCC3 4a090a07c0e36a341988547260624cd8 [0,0,0,0,0,1|0,0,2]=3 166 B22R3.100253165 CC[C@@H](C)CNCCC1CCc2c1c3c(cc2)OCC3 318ea6ee07049342a3d69ca3aa340b53 [0,0,0,0,0,1|1,0,1]=3 167 B22R3.100253165 CC[C@H](C)CNCCC1CCc2c1c3c(cc2)OCC3 27d83131b8e721077fcda8d0fc5de21c [0,0,0,0,0,1|1,0,1]=3 168 B22R3.100253165 CNC(=O)CCCOC1CCc2c1c3c(cc2)OCC3 93a5067780adecaca6804ecf500dcc0a [0,0,0,0,0,1|2,0,0]=3 169 B22R3.100253165 CNC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 e6e1efaef1888adf7742fc2e0161079a [0,0,0,0,0,1|1,0,0]=2 170 B22R3.100253165 COC(=O)/C=C/COC1CCc2c1c3c(cc2)OCC3 6039e9cc041397dbe4ce2cce89a0a3f8 [0,0,0,0,0,1|2,0,1]=4 171 B22R3.100253165 COC(=O)/C=C\COC1CCc2c1c3c(cc2)OCC3 01af730c18ce9cb22623ace6e90d821d [0,0,0,0,0,1|2,0,1]=4 172 B22R3.100253165 COC(=O)C#CCOC1CCc2c1c3c(cc2)OCC3 cda418510a3241960d83b499a8f4bc3a [0,0,0,0,0,1|2,0,1]=4 173 B22R3.100253165 COC(=O)C=CCOC1CCc2c1c3c(cc2)OCC3 1897c1717b24be47fb0fab5c4f3de08c [0,0,0,0,0,1|2,0,1]=4 174 B22R3.100253165 COC(=O)CCCOC1CCc2c1c3c(cc2)OCC3 e293b3fb13344f6a0b471b9fab9667fd [0,0,0,0,0,1|2,0,0]=3 175 B22R3.100253165 COC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 92c424bfeeef810dd607b87ed54f505e [0,0,0,0,0,1|1,0,0]=2 176 B22R3.100253165 COC(C)CNCCC1CCc2c1c3c(cc2)OCC3 3dbf7eb08b24449ffb9f394d3988be03 [0,0,0,0,0,1|2,0,1]=4 177 B22R3.100253165 CO[C@@H](C)CNCCC1CCc2c1c3c(cc2)OCC3 854e0cfdfc1d79e804fef237b66432a5 [0,0,0,0,0,1|2,0,1]=4 178 B22R3.100253165 CO[C@H](C)CNCCC1CCc2c1c3c(cc2)OCC3 f52ad5d02c5aa7d64cb8f94cb4931eca [0,0,0,0,0,1|2,0,1]=4 179 B22R3.100253165 C[C@@H](CO)CNCCC1CCc2c1c3c(cc2)OCC3 892fc4fd7deccd4af85cab5d532831d7 [0,0,0,0,0,1|2,0,1]=4 180 B22R3.100253165 C[C@H](CO)CNCCC1CCc2c1c3c(cc2)OCC3 42311992afc41cbd8890dcbf8aa56a4e [0,0,0,0,0,1|2,0,1]=4 181 B22R3.100253165 Cl/C=C(\Cl)/CNCCC1CCc2c1c3c(cc2)OCC3 98038a29abc37f01df9bca2de75f3c92 [0,0,0,0,0,1|2,0,1]=4 182 B22R3.100253165 O=C(CO)CNCCC1CCc2c1c3c(cc2)OCC3 c859a06466895cae79b20b9d4231b9e1 [0,0,0,0,0,1|1,0,0]=2 183 B22R3.100253165 OC(CF)CNCCC1CCc2c1c3c(cc2)OCC3 c177a03a15dad3e2885773d913892429 [0,0,0,0,0,1|1,0,2]=4 184 B22R3.100253165 OCC(O)CNCCC1CCc2c1c3c(cc2)OCC3 74e5c3e6944d181d97b1b323db69c667 [0,0,0,0,0,1|1,0,2]=4 185 B22R3.100253165 OC[C@@H](O)CNCCC1CCc2c1c3c(cc2)OCC3 879d7c9aedf751a037e0de6997c678fa [0,0,0,0,0,1|1,0,2]=4 186 B22R3.100253165 OC[C@H](O)CNCCC1CCc2c1c3c(cc2)OCC3 f7b7bc48729d7bb1f4e444c89b458548 [0,0,0,0,0,1|1,0,2]=4 187 B19R2.1310102 CCC(=O)NCCNc1c(ccc2c1CCN2)C 2e561bcdf2870b389dc4ac0fb56645f3 [1,0,1,0,0,0|2,0,0]=4 188 B19R2.21503 CC/C=C/CCOCCc1ccc2c(c1)CCO2 83a9500c4776b329147d32541776b22b [1,0,1,0,0,0|2,0,0]=4 189 B19R2.21503 CC/C=C/COCCCc1ccc2c(c1)CCO2 d3b647a9590ac3163b56cf33d7373058 [1,0,1,0,0,0|2,0,0]=4 190 B19R2.21503 CC/C=C\CCCOCc1ccc2c(c1)CCO2 23b64fdc42c04de467a3b7f009dc977a [1,0,1,0,0,0|2,0,0]=4 191 B19R2.21503 CC/C=C\CCOCCc1ccc2c(c1)CCO2 6ec2827e74b347b54add080bca9f7b1e [1,0,1,0,0,0|2,0,0]=4 192 B19R2.112595 CC(=O)CCCCCNc1ccc2c(c1)CCO2 103a99a6d423769ee5706f88f93a4651 [1,0,1,0,0,0|2,0,0]=4 193 B19R2.112595 CC(=O)CCCCCOc1ccc2c(c1)CCO2 6fc3b891aaadc3aac247167d9ffbc97c [1,0,1,0,0,0|2,0,0]=4 194 B19R2.112595 CC(=O)CCCCNCc1ccc2c(c1)CCO2 b872a1917490e5b6a861ac571448938d [1,0,1,0,0,0|2,0,0]=4 195 B19R2.112595 CC(=O)CCCCOCc1ccc2c(c1)CCO2 66f4fb0dab78c61842b6c3d7565ab1ec [1,0,1,0,0,0|2,0,0]=4 196 B19R2.112595 CC(=O)CCCOCCc1ccc2c(c1)CCO2 3160d04d053b09430a8af1e4338fc047 [1,0,1,0,0,0|2,0,0]=4 197 B19R2.112595 CC(=O)CCOCCCc1ccc2c(c1)CCO2 8baadf34c06d8382c6f5fb178cd0b755 [1,0,1,0,0,0|2,0,0]=4 198 B19R2.112595 CC(=O)NCCCCNc1cc2c(cn1)OCC2 7283408f29938374c72eb2ac4160c91a [1,0,1,0,0,0|2,0,0]=4 199 B19R2.112595 CC(=O)NCCCCNc1ccc2c(c1)CCC2 c1c64e8bec66b9b1b1a3c05b7f167a8f [1,0,1,0,0,0|2,0,0]=4 200 B19R2.112595 CC(=O)NCCCCNc1ccc2c(c1)CCN2 5ca56f02ae636e507fb62e9a247676a1 [1,0,1,0,0,0|2,0,0]=4 201 B19R2.112595 CC(=O)NCCCCNc1ccc2c(c1)CCO2 13a1a6ea926661ab28a1b9c1f2f49278 [1,0,1,0,0,0|1,0,0]=3 202 B19R2.112595 CC(=O)NCCCCNc1cnc2c(c1)CCO2 28abaa0fba6123658ea107098cd967fb [1,0,1,0,0,0|2,0,0]=4 203 B19R2.112595 CC(=O)NCCCNCc1ccc2c(c1)CCC2 ddd321ab8462f5fed0d0111cb33f232c [1,0,1,0,0,0|2,0,0]=4 204 B19R2.112595 CC(=O)NCCCNCc1ccc2c(c1)CCO2 a6a3c46396e10b89d7ca57b6909dc6a0 [1,0,1,0,0,0|1,0,0]=3 205 B19R2.112595 CC(=O)NCCCOCc1ccc2c(c1)CCC2 5b1a7942630a08f7786ab5d8f765b681 [1,0,1,0,0,0|2,0,0]=4 206 B19R2.112595 CC(=O)NCCCOCc1ccc2c(c1)CCO2 f44dad2e8ad01b3c018fa0582f16423b [1,0,1,0,0,0|1,0,0]=3 207 B19R2.112595 CC(=O)NCCNCCc1ccc2c(c1)CCO2 0f252b7330876d30d1d81b46089ca824 [1,0,1,0,0,0|1,0,0]=3 208 B19R2.112595 CC(=O)NCCOCCc1ccc2c(c1)CCO2 efdeb9594fe35ee84da5c11d7f550314 [1,0,1,0,0,0|1,0,0]=3 209 B19R2.112595 CC(=O)OCCCCNc1ccc2c(c1)CCO2 8b5eb8f788ea35f40778d6d4a5921d05 [1,0,1,0,0,0|2,0,0]=4 210 B19R2.112595 CC(=O)OCCCCOc1ccc2c(c1)CCO2 622616ec1397e4a1f8ac91c92e3e0fba [1,0,1,0,0,0|2,0,0]=4 211 B19R2.112595 CC(=O)OCCCNCc1ccc2c(c1)CCO2 e4aebdfe1250ad693ea9c3429765067e [1,0,1,0,0,0|2,0,0]=4 212 B19R2.112595 CC(=O)OCCCOCc1ccc2c(c1)CCO2 74f503ee154a86f7a31dd3dd9ac347e7 [1,0,1,0,0,0|2,0,0]=4 213 B19R2.112595 CC(=O)OCCOCCc1ccc2c(c1)CCO2 932551ba468b36b3dea095e3b5d20d60 [1,0,1,0,0,0|2,0,0]=4 214 B19R2.112595 CC(=O)OCOCCCc1ccc2c(c1)CCO2 2fb9346e4b3611e787f31f941f578818 [1,0,1,0,0,0|2,0,0]=4 215 B19R2.112595 CC(=O)SCCCCNc1ccc2c(c1)CCO2 045e3da485d9fc72d0c1c12bb38b91f6 [1,0,1,0,0,0|2,0,0]=4 216 B19R2.112595 CC(=O)SCCCCOc1ccc2c(c1)CCO2 b0cc0833039a6fa855f839665578a78d [1,0,1,0,0,0|2,0,0]=4 217 B19R2.112595 CC(=O)SCCCNCc1ccc2c(c1)CCO2 999a21a1bf739063d1d5af9e061558f9 [1,0,1,0,0,0|2,0,0]=4 218 B19R2.112595 CC(=O)SCCCOCc1ccc2c(c1)CCO2 f8e1d3d3e1e04acfc89392acf51ccf47 [1,0,1,0,0,0|2,0,0]=4 219 B19R2.112595 CC(=O)SCCOCCc1ccc2c(c1)CCO2 975a4ab67c7c2bf862c4999a284a3ea8 [1,0,1,0,0,0|2,0,0]=4 220 B19R2.112595 NC(=O)NCCOCCc1ccc2c(c1)CCO2 d22ea49bbc53b2f0841151cd9a6e2a78 [1,0,1,0,0,0|2,0,0]=4 221 B19R2.1645485 CCC(=O)OCNC1CCc2c1cc(cc2)OC 5e119667e0133d4d57d6adefad6f0aa3 [1,0,1,0,0,0|2,0,0]=4 222 B19R2.1645485 CCC(=O)OCN[C@@H]1CCc2c1cc(cc2)OC 9e09b17b7bd522681525a186535c5c6e [1,0,1,0,0,0|2,0,0]=4 223 B19R2.1645485 CCC(=O)OCN[C@H]1CCc2c1cc(cc2)OC 4d790c1fe4e2a31c605351ec5dce6c2c [1,0,1,0,0,0|2,0,0]=4 224 B19R2.1645485 CCC(=O)OCOC1CCc2c1cc(cc2)OC 9e18dbbfbf6d76fa0ec3b52655d94736 [1,0,1,0,0,0|2,0,0]=4 225 B19R3.1608682 C/C=C/COC1CCc2c1c3c(cc2)OCC3 72ef49397e649a8a2b7fd5ea2c04aa97 [2,0,0,0,0,0|1,0,1]=4 226 B19R3.1608682 C/C=C\COC1CCc2c1c3c(cc2)OCC3 b1f0ef0d552c2eae4c4cd045385f9429 [2,0,0,0,0,0|1,0,1]=4 227 B19R3.1608682 CCCCOC1CCc2c1c3c(cc2)OCC3 aa2788a1f1a823c9e6563f8382c1b980 [2,0,0,0,0,0|1,0,1]=4 228 B19R3.1608682 CCNCCC1CCc2c1c3c(cc2)OCC3 f75a2ca96704797fca35b0796692cadf [2,0,0,0,0,0|0,0,0]=2 229 B19R3.1608682 CCOCOC1CCc2c1c3c(cc2)OCC3 8772ad125d1865a249e86b4e247234a6 [2,0,0,0,0,0|2,0,0]=4 230 B19R3.1608682 FCNCCC1CCc2c1c3c(cc2)OCC3 2fe9d73cbb8545cc19657336a1d14441 [2,0,0,0,0,0|1,0,0]=3 231 B19R3.1608682 O=CCCOC1CCc2c1c3c(cc2)OCC3 b27e8658f9f8c43ec741891909ebf1db [2,0,0,0,0,0|2,0,0]=4 232 B19R3.1608682 O=CNCCC1CCc2c1c3c(cc2)OCC3 8ce43618777c848b13cafcc277226bc2 [2,0,0,0,0,0|0,0,0]=2 233 B19R3.1608682 OCNCCC1CCc2c1c3c(cc2)OCC3 bb1c8262db64b047fc14fe5ccc34bf02 [2,0,0,0,0,0|1,0,0]=3 234 B21R2.316783 CCCC(=O)OCCOCCc1ccc2c(c1)CCO2 10dd0015b95f8afacf885f49dfa20220 [0,1,1,0,0,0|2,0,0]=4 235 B21R2.316783 CCCC(=O)OCOCCCc1ccc2c(c1)CCO2 d26c47eec21ab0b276751d901497b8da [0,1,1,0,0,0|2,0,0]=4 236 B21R2.316783 CCNC(=O)CCOCCCc1ccc2c(c1)CCO2 04ea6650ecc8dac1c6cfe730904c88b8 [0,1,1,0,0,0|2,0,0]=4 237 B21R2.316783 CCOC(=O)CCCCCNc1ccc2c(c1)CCO2 bf1c88cef207d77a0e027344bd393f12 [0,1,1,0,0,0|2,0,0]=4 238 B21R2.316783 CCOC(=O)CCCCCOc1ccc2c(c1)CCO2 47979ff7788b388b3bb500185bcf7567 [0,1,1,0,0,0|2,0,0]=4 239 B21R2.316783 CCOC(=O)CCCCNCc1ccc2c(c1)CCO2 8401da0a468aaa2cdbea7171d6bcbfd5 [0,1,1,0,0,0|2,0,0]=4 240 B21R2.316783 CCOC(=O)CCCCOCc1ccc2c(c1)CCO2 6b3644ff1762bcea083c000f898bab03 [0,1,1,0,0,0|2,0,0]=4 241 B21R2.316783 CCOC(=O)CCCNCCc1ccc2c(c1)CCO2 d09b36bb1db094adf0b8f36f4babdb09 [0,1,1,0,0,0|2,0,0]=4 242 B21R2.316783 CCOC(=O)CCCOCCc1ccc2c(c1)CCO2 2ce64af880bc01f56e70f17e52a33034 [0,1,1,0,0,0|2,0,0]=4 243 B21R2.316783 CCOC(=O)CCOCCCc1ccc2c(c1)CCO2 2222042f2a38edc51743d4ef17356928 [0,1,1,0,0,0|2,0,0]=4 244 B21R2.316783 CCOC(=O)OCOCCCc1ccc2c(c1)CCO2 7c31148e7eefcbda5b1ba7a822d97f9f [0,1,1,0,0,0|2,0,0]=4 245 B21R2.316783 CCSC(=O)OCOCCCc1ccc2c(c1)CCO2 3947a51a25aa7bde70b447f941375ec1 [0,1,1,0,0,0|2,0,0]=4 246 B21R2.316783 N#CCC(=O)NCCOCCc1ccc2c(c1)CCO2 6e5aed455c75b99883aee795ac8264a5 [0,1,1,0,0,0|1,0,1]=4 247 B21R2.377711 CCC(=O)NCCC(=O)NCc1ccc2c(c1)CCO2 4307834562c0ee44f983e718125bc23c [0,1,1,0,0,0|1,0,1]=4 248 B21R2.379228 CCC(=O)CCCCNC(C)c1ccc2c(c1)CCO2 3c9cadbdd5b1f871ccb996446f3dc397 [0,1,1,0,0,0|2,0,0]=4 249 B21R2.379228 CCC(=O)CCCCN[C@H](C)c1ccc2c(c1)CCO2 b41a370337bea9fc8a3ca2e51a692cef [0,1,1,0,0,0|2,0,0]=4 250 B21R2.379228 CCC(=O)CCCCOC(C)c1ccc2c(c1)CCO2 c8fc8ff758517712e99067fdf1e3c87d [0,1,1,0,0,0|2,0,0]=4 251 B21R2.379228 CCC(=O)NCCNCC(=O)c1ccc2c(c1)CCO2 1fe56c5ca46c7a29820e287a8709e1f8 [0,1,1,0,0,0|1,0,1]=4 252 B21R2.379228 CCC(=O)NCCOCC(=O)c1ccc2c(c1)CCO2 310f59104000e8e29f30d413bd71be16 [0,1,1,0,0,0|1,0,1]=4 253 B21R2.379390 CCC(=O)NCCCC(=O)Nc1ccc2c(c1)CCO2 e71f248029635dc8f344430e6b9b4a11 [0,1,1,0,0,0|1,0,1]=4 254 B21R2.379390 CCC(=O)NCCNC(=O)Cc1ccc2c(c1)CCO2 098309c5bb19d1429ff36e65981fd550 [0,1,1,0,0,0|1,0,1]=4 255 B21R2.1137126 CCC(=O)CCCCNCc1ccc2c(c1)CC(O2)C 5ea9e566b9f07e93078527c3976653cc [0,1,1,0,0,0|2,0,0]=4 256 B21R2.2452388 C=C(C)C(=O)NCCOCCc1ccc2c(c1)CCO2 67bdb2d95731e8cd30aebff9eeea620a [0,1,1,0,0,0|1,0,1]=4 257 B21R2.2452388 CC(C)C(=O)NCCCNCc1ccc2c(c1)CCC2 e609031b5f9564506b8d8d7cee573d75 [0,1,1,0,0,0|2,0,0]=4 258 B21R2.2452388 CC(C)C(=O)NCCCNCc1ccc2c(c1)CCO2 de76bb32343eb3cbe5ebfbec978819cc [0,1,1,0,0,0|1,0,0]=3 259 B21R2.2452388 CC(C)C(=O)OCCOCCc1ccc2c(c1)CCO2 2d3e9c6ba7297a3101b8afa559f78714 [0,1,1,0,0,0|2,0,0]=4 260 B21R2.2452388 CC(C)C(=O)OCOCCCc1ccc2c(c1)CCO2 c2a6b0707cdb49f2ea4a72ea1c17045a [0,1,1,0,0,0|2,0,0]=4 261 B21R3.12633093 C#CCCNCCC1CCc2c1c3c(cc2)OCC3 f5d4d70e9e80467e75ba080bdd79cd9e [1,1,0,0,0,0|0,0,2]=4 262 B21R3.12633093 C/C=C/CNCCC1CCc2c1c3c(cc2)OCC3 51dc41ba3e6622c7614cee2fc145b1f2 [1,1,0,0,0,0|0,0,1]=3 263 B21R3.12633093 C/C=C\CCCOC1CCc2c1c3c(cc2)OCC3 27e6e6e1d067e3983fecd281131a0e6e [1,1,0,0,0,0|1,0,1]=4 264 B21R3.12633093 C/C=C\CNCCC1CCc2c1c3c(cc2)OCC3 92a4ca0162eaf2eee5e5a0f9185b59ad [1,1,0,0,0,0|0,0,1]=3 265 B21R3.12633093 C=CCCNCCC1CCc2c1c3c(cc2)OCC3 80c442d62c3c9fed7f5494ddd4687507 [1,1,0,0,0,0|0,0,2]=4 266 B21R3.12633093 CC#CCNCCC1CCc2c1c3c(cc2)OCC3 e42908f8021d032ce92f01efd396c0c9 [1,1,0,0,0,0|0,0,2]=4 267 B21R3.12633093 CC/C=C\CCOC1CCc2c1c3c(cc2)OCC3 d2fe210c106f66e38a9f9e78b0c45250 [1,1,0,0,0,0|1,0,0]=3 268 B21R3.12633093 CCC/C=C/COC1CCc2c1c3c(cc2)OCC3 1414603ce1c1550da28f5199980cd40c [1,1,0,0,0,0|2,0,0]=4 269 B21R3.12633093 CCC/C=C\COC1CCc2c1c3c(cc2)OCC3 b964ba53fec395cf1f662dc4296137f8 [1,1,0,0,0,0|2,0,0]=4 270 B21R3.12633093 CCCCCCOC1CCc2c1c3c(cc2)OCC3 f16d30feb5aa1a3133ad9cac2a2bf3e9 [1,1,0,0,0,0|1,0,1]=4 271 B21R3.12633093 CCCCNCCC1CCc2c1c3c(cc2)OCC3 8849418fe59b20e36ffe6e61b93b21a0 [1,1,0,0,0,0|0,0,1]=3 272 B21R3.12633093 CCCOCCOC1CCc2c1c3c(cc2)OCC3 7602ffbcbe6c8d3942e9a61a6ff8d472 [1,1,0,0,0,0|1,0,1]=4 273 B21R3.12633093 CCOCCCOC1CCc2c1c3c(cc2)OCC3 61730dfc65cfae46d37b20ab8b68c6c6 [1,1,0,0,0,0|2,0,0]=4 274 B21R3.12633093 CCOCNCCC1CCc2c1c3c(cc2)OCC3 ee1543209b7c60df4b00e8aa1db8d0f1 [1,1,0,0,0,0|0,0,1]=3 275 B21R3.12633093 CCSCCCOC1CCc2c1c3c(cc2)OCC3 47c642d3e2e523fcdda31b1c059f4b5b [1,1,0,0,0,0|2,0,0]=4 276 B21R3.12633093 COCCNCCC1CCc2c1c3c(cc2)OCC3 c025daed488d112339dd30245443eb35 [1,1,0,0,0,0|0,0,1]=3 277 B21R3.12633093 CSCCNCCC1CCc2c1c3c(cc2)OCC3 5c2671667568cbd7642ded82db4e159c [1,1,0,0,0,0|0,0,1]=3 278 B21R3.12633093 Cl/C=C/CNCCC1CCc2c1c3c(cc2)OCC3 1caab8e83fceded0e68fa9b911933808 [1,1,0,0,0,0|1,0,1]=4 279 B21R3.12633093 Cl/C=C\CNCCC1CCc2c1c3c(cc2)OCC3 5ed133a9ef65276197a68d161b74db0b [1,1,0,0,0,0|1,0,1]=4 280 B21R3.12633093 FCCCNCCC1CCc2c1c3c(cc2)OCC3 afda9ee9397486fdafb5cc1be1138a80 [1,1,0,0,0,0|0,0,1]=3 281 B21R3.12633093 N#CCCNCCC1CCc2c1c3c(cc2)OCC3 ac0af14e0839c9d51b806d91f6e26215 [1,1,0,0,0,0|0,0,2]=4 282 B21R3.12633093 O/C=C\CNCCC1CCc2c1c3c(cc2)OCC3 453267c14bfb978ea29f655ecabf92d2 [1,1,0,0,0,0|1,0,1]=4 283 B21R3.12633093 O=CCCNCCC1CCc2c1c3c(cc2)OCC3 d167e9ae3c0aab98f4f514ae3fdbf98e [1,1,0,0,0,0|0,0,2]=4 284 B21R3.12633093 OCCCNCCC1CCc2c1c3c(cc2)OCC3 4b27514582df062ecbbc5495a917945f [1,1,0,0,0,0|0,0,1]=3 285 B21R3.12633093 SCCCNCCC1CCc2c1c3c(cc2)OCC3 1894995c9157925857ff5e501f50bbc6 [1,1,0,0,0,0|0,0,1]=3 286 B21R3.43174770 C=C(C)CNCCC1CCc2c1c3c(cc2)OCC3 74802eb6f4dca7ffe6b9b6fa0542699f [1,1,0,0,0,0|0,0,2]=4 287 B21R3.43174770 CC(C)/C=C/COC1CCc2c1c3c(cc2)OCC3 02f3aa4427372b3e783c01c920f183d4 [1,1,0,0,0,0|2,0,0]=4 288 B21R3.43174770 CC(C)CNCCC1CCc2c1c3c(cc2)OCC3 56a929f8d61a1d7f56bc4dfdb1600fe3 [1,1,0,0,0,0|0,0,1]=3 289 B21R3.43174770 CC(O)CNCCC1CCc2c1c3c(cc2)OCC3 eacba49b8029beef70be8fb430eaf624 [1,1,0,0,0,0|0,0,1]=3 290 B21R3.43174770 CN(C)CNCCC1CCc2c1c3c(cc2)OCC3 ff8dc0ac6b1ccbaa4143b64414342cc9 [1,1,0,0,0,0|1,0,1]=4 291 B21R3.43174770 C[C@@H](O)CNCCC1CCc2c1c3c(cc2)OCC3 cf6d6bf82c52f1b23a7366caa8b3a10c [1,1,0,0,0,0|0,0,1]=3 292 B21R3.43174770 C[C@H](O)CNCCC1CCc2c1c3c(cc2)OCC3 14fafba5e4895f4c398cd59484b08e02 [1,1,0,0,0,0|0,0,1]=3 293 B21R3.43174770 FC(F)CNCCC1CCc2c1c3c(cc2)OCC3 0eff7a34caaae9453f0eb3d7e5f40174 [1,1,0,0,0,0|1,0,1]=4 294 B21R3.43364307 CC(=O)OC(C)OC1CCc2c1c3c(cc2)OCC3 e5177f4748506cff66e90cb425b35331 [1,1,0,0,0,0|2,0,0]=4 295 B21R3.43727836 CC(=O)C(=O)COC1CCc2c1c3c(cc2)OCC3 fd6ff289aaf4753b476390343b10b553 [1,1,0,0,0,0|2,0,0]=4 296 B21R3.22851299 CCC(=O)C(C)OC1CCc2c1c3c(cc2)OCC3 ddf9aa0be982cb5b42b9a78365b6049c [0,1,0,0,1,0|1,0,0]=3 297 B21R3.22851299 CNC(=O)C(C)OC1CCc2c1c3c(cc2)OCC3 36784618a83219b0d5c5a5f0944edad0 [0,1,0,0,1,0|2,0,0]=4 298 B21R3.22851299 CNC(=O)C(F)OC1CCc2c1c3c(cc2)OCC3 15b99946d3acdabbdd09cfb4ef78e9c9 [0,1,0,0,1,0|2,0,0]=4 299 B21R3.22851299 COC(=O)C(C)OC1CCc2c1c3c(cc2)OCC3 94313032df8297e999e0fffba32aa4b7 [0,1,0,0,1,0|2,0,0]=4 300 B21R3.22851299 COC(=O)[C@@H](C)OC1CCc2c1c3c(cc2)OCC3 88b890b6e2c1cb31ea5d3d61c3aab9fa [0,1,0,0,1,0|2,0,0]=4 301 B21R3.22851299 COC(=O)[C@H](C)OC1CCc2c1c3c(cc2)OCC3 72bdbfece661eaf2ba3f9958e8d62dbc [0,1,0,0,1,0|2,0,0]=4 302 B21R3.36204898 CCS(=O)(=O)COC1CCc2c1c3c(cc2)OCC3 2a148865017329b51bb5be102ac6a438 [0,1,0,0,1,0|2,0,0]=4 303 B23R3.125724513 CCS(=O)(=O)CNCCC1CCc2c1c3c(cc2)OCC3 c79932fcfcb36f5e78b56140647e4949 [0,1,0,0,0,1|1,0,0]=3 304 B23R3.125724513 CNS(=O)(=O)CNCCC1CCc2c1c3c(cc2)OCC3 77c29fdc9ed78a09024eaa667770443a [0,1,0,0,0,1|2,0,0]=4 305 B23R3.146354408 CCC(CC)CNCCC1CCc2c1c3c(cc2)OCC3 a5a4e2949b75bd642aa76fc7c853ecb2 [0,1,0,0,0,1|1,0,1]=4 306 B23R3.146354408 CCC(CO)CNCCC1CCc2c1c3c(cc2)OCC3 b233c80fcfc7c03e3e12500fbab8e265 [0,1,0,0,0,1|0,0,2]=4 307 B23R3.163744470 CNC(=O)NC(=O)COC1CCc2c1c3c(cc2)OCC3 29802dbec88e046328e951dd3cb793f4 [0,1,0,0,0,1|1,0,1]=4 308 B23R3.163744470 COC(=O)CC(C)COC1CCc2c1c3c(cc2)OCC3 f6413ae90c9f9196f3faab0bb218a1fe [0,1,0,0,0,1|2,0,0]=4 309 B23R3.166750787 C=COC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 67fc31e5d9fce30e35ab2371fa6b1626 [0,1,0,0,0,1|0,0,2]=4 310 B23R3.166750787 CCCC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 d9e53076494763bc0b330cf43a5a5ac0 [0,1,0,0,0,1|0,0,0]=2 311 B23R3.166750787 CCCC(C)CNCCC1CCc2c1c3c(cc2)OCC3 22a49a5ce8d2c3b1c3d92c775fac78ed [0,1,0,0,0,1|1,0,1]=4 312 B23R3.166750787 CCNC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 b197d48bbf7e26f6945d78d5ef4aef99 [0,1,0,0,0,1|0,0,0]=2 313 B23R3.166750787 CCOC(=O)/C=C/COC1CCc2c1c3c(cc2)OCC3 cc9e9f8c3bf789a4d396df036ff72703 [0,1,0,0,0,1|1,0,1]=4 314 B23R3.166750787 CCOC(=O)C=CCOC1CCc2c1c3c(cc2)OCC3 63f722757065e09201cc0eabab40986a [0,1,0,0,0,1|1,0,1]=4 315 B23R3.166750787 CCOC(=O)CCCOC1CCc2c1c3c(cc2)OCC3 5a5f240c951e2713d8dde31d8556c4b2 [0,1,0,0,0,1|1,0,0]=3 316 B23R3.166750787 CCOC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 0a928ee48adc3cb9e7742d8e6f19fcc6 [0,1,0,0,0,1|0,0,0]=2 317 B23R3.166750787 COCC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 308351e23908efa165e2ac48c584c22e [0,1,0,0,0,1|0,0,0]=2 318 B23R3.166750787 COCC(O)CNCCC1CCc2c1c3c(cc2)OCC3 cda79719e1e994be96a4bde5c38dafea [0,1,0,0,0,1|0,0,2]=4 319 B23R3.166750787 O=C(CNCCC1CCc2c1c3c(cc2)OCC3)NCO e9491fe9adcd6954cf40f7c4a319ebbe [0,1,0,0,0,1|1,0,0]=3 320 B23R3.166750787 OCC[C@H](O)CNCCC1CCc2c1c3c(cc2)OCC3 f197684d41502902ccacf8facb42507e [0,1,0,0,0,1|0,0,2]=4 321 B23R3.188511996 COC(=O)CCC(C)OC1CCc2c1c3c(cc2)OCC3 d38e8cac09c753a35875dc26e9b53117 [0,1,0,0,0,1|2,0,0]=4 322 B23R3.244046157 C/C=C(/C)\C(=O)NCCC1CCc2c1c3c(cc2)OCC3 5aa066e62713ff137e998e81a4339d7a [0,1,0,0,0,1|1,0,1]=4 323 B23R3.244046157 C/C=C(\Br)/C(=O)NCCC1CCc2c1c3c(cc2)OCC3 8199d3b201a282d149ac22662e6f553c [0,1,0,0,0,1|1,0,1]=4 324 B23R3.244046157 C/C=C(\C)/C(=O)NCCC1CCc2c1c3c(cc2)OCC3 06deb2865215883552c30446914c305e [0,1,0,0,0,1|1,0,1]=4 325 B23R3.244046157 C/C=C(\Cl)/C(=O)NCCC1CCc2c1c3c(cc2)OCC3 33f90a40d5921f7d65fb59773fffabe2 [0,1,0,0,0,1|1,0,1]=4 326 B23R3.244046157 C/C=C(\O)/C(=O)NCCC1CCc2c1c3c(cc2)OCC3 dee3e3935ec761f9bddcf5536d69b8bb [0,1,0,0,0,1|0,0,2]=4 327 B23R3.244046157 C=C(CC)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 53df61b55bd7c81d9757ca9c700e118c [0,1,0,0,0,1|1,0,0]=3 328 B23R3.244046157 C=C(CO)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 4d830b865bd5e3db7857187a470569c6 [0,1,0,0,0,1|2,0,0]=4 329 B23R3.244046157 C=CC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 a0688cc9659f0b205e186ce8d3ac0e75 [0,1,0,0,0,1|0,0,2]=4 330 B23R3.244046157 CC=C(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 018842a4218e747190c740e4b09374a8 [0,1,0,0,0,1|1,0,1]=4 331 B23R3.244046157 CCC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 04cf38ed88c1d0de5c8390ca12ede718 [0,1,0,0,0,1|0,0,0]=2 332 B23R3.244046157 CCC(=O)C(C)NCCC1CCc2c1c3c(cc2)OCC3 e3ca88f375598144bc2020a29becd9cd [0,1,0,0,0,1|0,0,0]=2 333 B23R3.244046157 CCC(O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 c689db1762df6f9efeef0edabf6209f8 [0,1,0,0,0,1|0,0,2]=4 334 B23R3.244046157 CCN(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 b439cfde503e0ba194bfce216da4ca11 [0,1,0,0,0,1|2,0,0]=4 335 B23R3.244046157 CCN(C)C(=S)NCCC1CCc2c1c3c(cc2)OCC3 39e924904d91a5648815887a297e74b4 [0,1,0,0,0,1|2,0,0]=4 336 B23R3.244046157 CC[C@@H](O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 2bad41795884147ce12ee59b5765fd17 [0,1,0,0,0,1|0,0,2]=4 337 B23R3.244046157 CC[C@H](O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 ec431ef4768a314b13a521e93eaa6ded [0,1,0,0,0,1|0,0,2]=4 338 B23R3.244046157 CC[C@H](S)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1ca809c7aa84ecf2403e047fcf3169e1 [0,1,0,0,0,1|0,1,1]=4 339 B23R3.244046157 CNC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 ae52bf9f630a612dea7b1e4b8556c349 [0,1,0,0,0,1|1,0,0]=3 340 B23R3.244046157 CNC(=O)C(C)NCCC1CCc2c1c3c(cc2)OCC3 0f19cba0e7da7871d45fa32848a33235 [0,1,0,0,0,1|1,0,0]=3 341 B23R3.244046157 CNC(=O)C(F)NCCC1CCc2c1c3c(cc2)OCC3 2f756aa5bc1c4cbd49b5849bec63c4e0 [0,1,0,0,0,1|1,0,0]=3 342 B23R3.244046157 COC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 4b52a3301c3a99a0fb6ced60590fba90 [0,1,0,0,0,1|1,0,0]=3 343 B23R3.244046157 COC(=O)C(C)CCOC1CCc2c1c3c(cc2)OCC3 71bf459f87590bc03a98fb519bcca85e [0,1,0,0,0,1|2,0,0]=4 344 B23R3.244046157 COC(=O)C(C)NCCC1CCc2c1c3c(cc2)OCC3 6b2d85ffde444d2e166b4f6a669021e9 [0,1,0,0,0,1|1,0,0]=3 345 B23R3.244046157 COC(=O)[C@@H](C)NCCC1CCc2c1c3c(cc2)OCC3 ab97582f52e026010ecd6fc6c9e517fa [0,1,0,0,0,1|1,0,0]=3 346 B23R3.244046157 COC(=O)[C@H](C)NCCC1CCc2c1c3c(cc2)OCC3 fca01031e7c49aeb613ac61dd0837af7 [0,1,0,0,0,1|1,0,0]=3 347 B23R3.244046157 O=C(CS)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 52f9337421c84bbc863e127c0d6cf31c [0,1,0,0,0,1|1,0,0]=3 348 B23R3.285189364 C=C(C)C(=O)OCCOC1CCc2c1c3c(cc2)OCC3 b3a1d2f40bd88e85b44874c7300bbda2 [0,1,0,0,0,1|1,0,1]=4 349 B23R3.285189364 CC(=O)C(=O)CNCCC1CCc2c1c3c(cc2)OCC3 1266ef74a1069d1ad656d9136d44fb5b [0,1,0,0,0,1|0,0,1]=3 350 B23R3.285189364 CC(C)C(=O)CNCCC1CCc2c1c3c(cc2)OCC3 dd08afc15e663f0a775c139b11685915 [0,1,0,0,0,1|0,0,0]=2 351 B23R3.285189364 CC(C)C(C)CNCCC1CCc2c1c3c(cc2)OCC3 9ab9bdb29346dfd20d2480c5970e7570 [0,1,0,0,0,1|1,0,1]=4 352 B23R3.285189364 CN(C)C(=O)CCCOC1CCc2c1c3c(cc2)OCC3 bb95759c0e16e36aa2d80463ba042a7b [0,1,0,0,0,1|2,0,0]=4 353 B23R3.285189364 CN(C)C(=O)CNCCC1CCc2c1c3c(cc2)OCC3 de3f8f1690bf03d19d5fb8b6aef10ad3 [0,1,0,0,0,1|1,0,0]=3 354 B23R3.285189364 O=C(CNCCC1CCc2c1c3c(cc2)OCC3)C(F)F cf8e0c53474953482336d9f64d26b2b1 [0,1,0,0,0,1|1,0,0]=3 355 B23R3.285189364 O=C(O)C(=O)CNCCC1CCc2c1c3c(cc2)OCC3 7b6669692731f68f0afe73cb4d147712 [0,1,0,0,0,1|1,0,1]=4 356 B23R3.78126579 C#CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 4cfdb94fb1b24bebe7cf96a185deceb1 [0,2,0,0,0,0|0,0,0]=2 357 B23R3.78126579 C#CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 2a3ef603c7a251ca81a5f9fb47e8ea24 [0,2,0,0,0,0|0,0,1]=3 358 B23R3.78126579 C#CCNC(=S)NCCC1CCc2c1c3c(cc2)OCC3 00d8707c0c8a2b748458fdaddde6fb30 [0,2,0,0,0,0|0,1,1]=4 359 B23R3.78126579 C/C=C/CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 39f8856fe24dffe41b28370ed2c31c54 [0,2,0,0,0,0|0,0,0]=2 360 B23R3.78126579 C=C/C=C/C(=O)NCCC1CCc2c1c3c(cc2)OCC3 105ac9195ead2506320ff3ba3299d999 [0,2,0,0,0,0|0,0,2]=4 361 B23R3.78126579 C=C/C=C\C(=O)NCCC1CCc2c1c3c(cc2)OCC3 ee972db13c7995c74445ee850fcff4ea [0,2,0,0,0,0|0,0,2]=4 362 B23R3.78126579 C=CC=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 c3671daeb6befc28657f692550013d90 [0,2,0,0,0,0|0,0,2]=4 363 B23R3.78126579 C=CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 a00b8d658e946aca270361eaea071766 [0,2,0,0,0,0|0,0,0]=2 364 B23R3.78126579 C=CCCC(C)NCCC1CCc2c1c3c(cc2)OCC3 d9715c534935f9c2e06deee378a45dbb [0,2,0,0,0,0|1,0,1]=4 365 B23R3.78126579 CC#CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 70be82dab5b1927f5197c9ae3cac3a2e [0,2,0,0,0,0|0,0,0]=2 366 B23R3.78126579 CC(CCC#N)NCCC1CCc2c1c3c(cc2)OCC3 5607d8afc925fc4e4c5c8078175b70af [0,2,0,0,0,0|1,0,1]=4 367 B23R3.78126579 CC(CCCO)NCCC1CCc2c1c3c(cc2)OCC3 43e8bb811c0ad09a5c946af69f79441f [0,2,0,0,0,0|1,0,1]=4 368 B23R3.78126579 CC/C=C/C(=O)NCCC1CCc2c1c3c(cc2)OCC3 b8466138c0ba8e27981df25aa1c5102b [0,2,0,0,0,0|0,0,0]=2 369 B23R3.78126579 CC/C=C\C(=O)NCCC1CCc2c1c3c(cc2)OCC3 973e328bb57ab263f473c8e536456fd7 [0,2,0,0,0,0|0,0,0]=2 370 B23R3.78126579 CCC#CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 469696fee30d8c289234588e766e14d7 [0,2,0,0,0,0|0,0,0]=2 371 B23R3.78126579 CCC=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 8c48ccedc92a5e9dcd3f70574c9322d1 [0,2,0,0,0,0|0,0,0]=2 372 B23R3.78126579 CCCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 cec950ad160955c7ee6774c180fe55fd [0,2,0,0,0,0|0,0,0]=2 373 B23R3.78126579 CCCCC(=O)OCOC1CCc2c1c3c(cc2)OCC3 68fb9ed0276e1b0e1152baa785039684 [0,2,0,0,0,0|2,0,0]=4 374 B23R3.78126579 CCCCC(C)NCCC1CCc2c1c3c(cc2)OCC3 55f215d9ef82e3aecbaaddbf7bacea64 [0,2,0,0,0,0|1,0,1]=4 375 B23R3.78126579 CCCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 0d3fd815fd7ce7d5c16538a2a3977cbe [0,2,0,0,0,0|0,0,0]=2 376 B23R3.78126579 CCCNC(=S)NCCC1CCc2c1c3c(cc2)OCC3 580dfcd55123d58335f304336070328a [0,2,0,0,0,0|0,1,0]=3 377 B23R3.78126579 CCCOC(=O)OCOC1CCc2c1c3c(cc2)OCC3 f2729fe9e99e807e2f5ac5d1d08ce721 [0,2,0,0,0,0|2,0,0]=4 378 B23R3.78126579 CCOCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 6e460e19535ab20d342311b906e8409f [0,2,0,0,0,0|0,0,0]=2 379 B23R3.78126579 CCSCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 229c4b583f331e8596b9a3570d0fbfc3 [0,2,0,0,0,0|0,0,0]=2 380 B23R3.78126579 CO/C=C/C(=O)NCCC1CCc2c1c3c(cc2)OCC3 e8768058b7dbf28385dca0df86471071 [0,2,0,0,0,0|0,0,1]=3 381 B23R3.78126579 COC=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 696b45d046cc5f8d19853c45ef6451b0 [0,2,0,0,0,0|0,0,1]=3 382 B23R3.78126579 COCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 d804c3cb670baa4ba49753301fb5ec88 [0,2,0,0,0,0|0,0,0]=2 383 B23R3.78126579 CSCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 83076b259d59ef96183055dffe7b0d9b [0,2,0,0,0,0|0,0,0]=2 384 B23R3.78126579 CSSCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 e5efa726e80919c7c93918b3c7b4b737 [0,2,0,0,0,0|0,0,0]=2 385 B23R3.78126579 FCCNC(=S)NCCC1CCc2c1c3c(cc2)OCC3 4212e831a7a64e478cf149a6c0a725d1 [0,2,0,0,0,0|0,1,0]=3 386 B23R3.78126579 N#CC=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 5c093a67841174c1dbf762da7df2e398 [0,2,0,0,0,0|0,0,2]=4 387 B23R3.78126579 N#CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 f7706e362615428399f0f752a9952071 [0,2,0,0,0,0|0,0,0]=2 388 B23R3.78126579 N#CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 4abeb74eb7142b46f7f33047ad509b13 [0,2,0,0,0,0|0,0,1]=3 389 B23R3.78126579 N#CCNC(=S)NCCC1CCc2c1c3c(cc2)OCC3 9aa0de73bea6e51b8cdc71acfb38e309 [0,2,0,0,0,0|0,1,1]=4 390 B23R3.78126579 NCCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 695a6c93ef3db2231ce98ed770955296 [0,2,0,0,0,0|0,0,0]=2 391 B23R3.78126579 NCCNC(=S)NCCC1CCc2c1c3c(cc2)OCC3 01d0f455773c0bee613ed90aa150c245 [0,2,0,0,0,0|0,1,0]=3 392 B23R3.78126579 O=C(/C=C/CF)NCCC1CCc2c1c3c(cc2)OCC3 0779e1e3646bb5d77e320161e59ccca9 [0,2,0,0,0,0|0,0,1]=3 393 B23R3.78126579 O=C(/C=C/CO)NCCC1CCc2c1c3c(cc2)OCC3 6f1eead4ab782fbf11a1a40585b4e089 [0,2,0,0,0,0|0,0,1]=3 394 B23R3.78126579 O=C(C#CCO)NCCC1CCc2c1c3c(cc2)OCC3 2787697ddec8f6943e1b68970bb2829f [0,2,0,0,0,0|0,0,1]=3 395 B23R3.78126579 O=C(C=CCO)NCCC1CCc2c1c3c(cc2)OCC3 3c5f3691dd985822d01e5b45fa6e4ff8 [0,2,0,0,0,0|0,0,1]=3 396 B23R3.78126579 O=C(CCCF)NCCC1CCc2c1c3c(cc2)OCC3 eb938f3c129f5d6e19d1bc23be4cac6a [0,2,0,0,0,0|0,0,0]=2 397 B23R3.78126579 O=C(CCCS)NCCC1CCc2c1c3c(cc2)OCC3 67cff0b858adc34f93966f4406247bdc [0,2,0,0,0,0|0,0,0]=2 398 B23R3.78126579 O=C(NCCF)NCCC1CCc2c1c3c(cc2)OCC3 d39dad6f4496254457f36a0324c4dfb8 [0,2,0,0,0,0|0,0,0]=2 399 B23R3.78126579 O=C(NCCO)NCCC1CCc2c1c3c(cc2)OCC3 929755fc58a5458950c397dc7a45e271 [0,2,0,0,0,0|0,0,0]=2 400 B23R3.78126579 O=C(NCCS)NCCC1CCc2c1c3c(cc2)OCC3 78102bda03c0d0f7e06626f6e753169d [0,2,0,0,0,0|0,0,0]=2 401 B23R3.78126579 O=CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 fa407c49610f2432fb36d10c49f916df [0,2,0,0,0,0|0,0,0]=2 402 B23R3.78126579 O=CNCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 8b24102c557ee9a90195436d29db8631 [0,2,0,0,0,0|0,0,1]=3 403 B23R3.78126579 OCCNC(=S)NCCC1CCc2c1c3c(cc2)OCC3 87d943e6969e587bc743d5f44c92c6ab [0,2,0,0,0,0|0,1,0]=3 404 B23R3.78126579 S=C(NCCS)NCCC1CCc2c1c3c(cc2)OCC3 05ef67b095a66e4bd15b5d9ac39464cb [0,2,0,0,0,0|0,1,0]=3 405 B23R3.167611947 CCOC(=O)OC(C)OC1CCc2c1c3c(cc2)OCC3 0ff33a13f28f877d7b61d771b09d70ef [0,2,0,0,0,0|2,0,0]=4 406 B23R3.170135419 C=C(COC1CCc2c1c3c(cc2)OCC3)C(=O)OCC 0f0e7ae51107110baa1e494e98f793e3 [0,2,0,0,0,0|2,0,0]=4 407 B23R3.243227933 CCCC(CC)NCCC1CCc2c1c3c(cc2)OCC3 c0b73c534405b551b517a076feb41962 [0,2,0,0,0,0|1,0,1]=4 408 B23R3.243227933 OCC[C@H](CO)NCCC1CCc2c1c3c(cc2)OCC3 ce356cca4e3f4a952415cc3b8d9fba44 [0,2,0,0,0,0|0,0,2]=4 409 B23R3.640181574 C/C(=C/C(=O)NCCC1CCc2c1c3c(cc2)OCC3)/Cl d1d82d0c069dc215cd196d8c400a88f7 [0,2,0,0,0,0|0,0,1]=3 410 B23R3.640181574 C/C(=C/C(=O)NCCC1CCc2c1c3c(cc2)OCC3)/I 4c0adaf191ba06b001b7bc05ed9a05b4 [0,2,0,0,0,0|0,0,1]=3 411 B23R3.640181574 C/C(=C\C(=O)NCCC1CCc2c1c3c(cc2)OCC3)/Cl c054c9ceca21f7980535d159c4bfa4f0 [0,2,0,0,0,0|0,0,1]=3 412 B23R3.640181574 C=C(C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 cde07863b2fc9bdc6a4075784b5465ab [0,2,0,0,0,0|0,0,0]=2 413 B23R3.640181574 CC(=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3)C 7707a8a855da148ee4399dc755f91ac7 [0,2,0,0,0,0|0,0,1]=3 414 B23R3.640181574 CC(=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3)I 8caa0561738aa831bc8831b84c65f901 [0,2,0,0,0,0|0,0,1]=3 415 B23R3.640181574 CC(=O)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 bf08d146c919809e3ce1736b9794fa08 [0,2,0,0,0,0|0,0,0]=2 416 B23R3.640181574 CC(C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 28907e7e4f83293b0537b943e077d67b [0,2,0,0,0,0|0,0,0]=2 417 B23R3.640181574 CC(C)CC(=O)OCOC1CCc2c1c3c(cc2)OCC3 c858d391bbac117c437bdaf93e36274f [0,2,0,0,0,0|2,0,0]=4 418 B23R3.640181574 CC(C)CC(C)NCCC1CCc2c1c3c(cc2)OCC3 af91ef40a9315be2da90b8330278aa23 [0,2,0,0,0,0|1,0,1]=4 419 B23R3.640181574 CC(C)NC(=O)CCOC1CCc2c1c3c(cc2)OCC3 7ea2002e575a27d71689c3c939b3b0cb [0,2,0,0,0,0|2,0,0]=4 420 B23R3.640181574 CC(C)OC(=O)CCOC1CCc2c1c3c(cc2)OCC3 0ea1f06cf52a47aabfa33858a91ac1fc [0,2,0,0,0,0|2,0,0]=4 421 B23R3.640181574 CC(C)OC(=O)OCOC1CCc2c1c3c(cc2)OCC3 a7a367106828c4f0108de02baf69ffcf [0,2,0,0,0,0|2,0,0]=4 422 B23R3.640181574 CC(O)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 e56b40115a05019a86f990e34a565018 [0,2,0,0,0,0|0,0,0]=2 423 B23R3.640181574 CN(C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 5769ab99eebc473724145aa71972ff68 [0,2,0,0,0,0|0,0,0]=2 424 B23R3.640181574 C[C@@H](O)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 3fcd95d4b1c05350037f6243d57d5ea5 [0,2,0,0,0,0|0,0,0]=2 425 B23R3.640181574 C[C@H](O)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 e0a5ab705945b5c8fc5dd4ae381e00d3 [0,2,0,0,0,0|0,0,0]=2 426 B23R3.640181574 NC(=O)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 8d253a322c1df0e3a81e4e7f4ec8abce [0,2,0,0,0,0|0,0,1]=3 427 B23R3.640181574 O=C(C=C(Br)Br)NCCC1CCc2c1c3c(cc2)OCC3 d3a9821f1eb020ed6b72af54a7dc3294 [0,2,0,0,0,0|0,0,2]=4 428 B23R3.640181574 O=C(C=C(Cl)Cl)NCCC1CCc2c1c3c(cc2)OCC3 b8a226836ffa6b8fcc3b2b7f1415be0e [0,2,0,0,0,0|0,0,2]=4 429 B23R3.640181574 O=C(CC(F)F)NCCC1CCc2c1c3c(cc2)OCC3 d957d33b936af477eca098f2c6b9555a [0,2,0,0,0,0|0,0,0]=2 430 B23R3.916308955 CC(C)C(C=O)NCCC1CCc2c1c3c(cc2)OCC3 7f92ee9a86c00a489d0f7f6d0a6a9494 [0,2,0,0,0,0|0,0,1]=3 431 B23R3.916308955 CCC(NCCC1CCc2c1c3c(cc2)OCC3)C(=O)N 690b2f69764e7399a2bb67fd4c62a663 [0,2,0,0,0,0|0,0,1]=3 432 B23R3.916308955 CCC(NCCC1CCc2c1c3c(cc2)OCC3)C(=O)O 2d1c91c9ca6b5f1293fd3d1b86a1bdf8 [0,2,0,0,0,0|0,0,1]=3 433 B23R3.916308955 CC[C@@H](NCCC1CCc2c1c3c(cc2)OCC3)C(=O)O 682eac74374b64b5fb85481a5f5ca795 [0,2,0,0,0,0|0,0,1]=3 434 B23R3.916308955 CC[C@H](NCCC1CCc2c1c3c(cc2)OCC3)C(=O)O 6fe3b4be28dc447dd68b701541281135 [0,2,0,0,0,0|0,0,1]=3 435 B23R3.916308955 O=C(O)C(CF)NCCC1CCc2c1c3c(cc2)OCC3 8ceb6d925e632c85edcb8501371434ca [0,2,0,0,0,0|1,0,1]=4 436 B23R3.916308955 O=C(O)C(CO)NCCC1CCc2c1c3c(cc2)OCC3 85fd495f6497fbf90bfca3ffa535890b [0,2,0,0,0,0|1,0,1]=4 437 B23R3.916308955 O=C(O)[C@@H](CO)NCCC1CCc2c1c3c(cc2)OCC3 b5a2b2308fa574843af9ba1ac8c17ee3 [0,2,0,0,0,0|1,0,1]=4 438 B23R3.916308955 O=C(O)[C@H](CO)NCCC1CCc2c1c3c(cc2)OCC3 eefb3aaf9e65251a382016ac752195df [0,2,0,0,0,0|1,0,1]=4 439 B23R3.640431479 CC(C)(C)C(=O)OCOC1CCc2c1c3c(cc2)OCC3 8b39f51b9f53f58c75094ddf4e202286 [0,2,0,0,0,0|2,0,0]=4 440 B23R3.640431479 CC(F)(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 4145714ad1f9a0ca466e3b5ac07abd43 [0,2,0,0,0,0|0,0,0]=2 441 B23R3.640431479 CC(NCCC1CCc2c1c3c(cc2)OCC3)C(C)(C)O 520625a140f715c57e557f51574a5152 [0,2,0,0,0,0|1,0,1]=4 442 B23R3.640431479 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)(F)Br 95121ab66323dffdf4b043d40ece13ba [0,2,0,0,0,0|1,0,0]=3 443 B23R3.640431479 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)(F)Cl 3e7122675fe552b2d8575dcc02ed1d3d [0,2,0,0,0,0|1,0,0]=3 444 B23R3.640431479 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)(F)F 7caca1de917dca008586ace17a3318fa [0,2,0,0,0,0|1,0,0]=3 445 B23R3.640431479 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)(F)I 8f3ee3156a37793fbfc25c95d6845928 [0,2,0,0,0,0|1,0,0]=3 446 B19R1.30000 CCOc1ccc(c(c1)NCCNC(=O)CC)CO 73390a2b67a9f8218866f58a73bd99ed [0,0,2,0,0,0|2,0,0]=4 447 B19R1.30000 CCOc1ccc(c(c1)NCCNC(=O)CC)SC 74f822634b81ed3939d9e504948be037 [0,0,2,0,0,0|2,0,0]=4 448 B19R1.10121 CCOc1ccc(cc1)CCCNCOC(=O)CC 4f0835c54c3eef4afe3f980c0406a933 [0,0,2,0,0,0|2,0,0]=4 449 B19R1.10121 CCOc1ccc(cc1)CCNCCNC(=O)CC 86d4c406dbcfaa86983b5e9a8a5bf28e [0,0,2,0,0,0|1,0,0]=3 450 B19R1.10121 CCOc1ccc(cc1)CCOCCNC(=O)CC f9fc46ed6901333b7f75888b9a852279 [0,0,2,0,0,0|1,0,0]=3 451 B19R1.10121 CCOc1ccc(cc1)CCOCCOC(=O)CC 3874f49c2c294f2a60fe1970fde4a3bd [0,0,2,0,0,0|2,0,0]=4 452 B19R1.10121 CCOc1ccc(cc1)CNCCCCC(=O)CC 5a86da166a40a0a6d8a3232ac61104f8 [0,0,2,0,0,0|2,0,0]=4 453 B19R1.10121 CCOc1ccc(cc1)COCCCCC(=O)CC 45e4f6fe40abe83507358b708e2706e8 [0,0,2,0,0,0|2,0,0]=4 454 B19R1.29055 CCC(=O)CCCCNCc1cccc(c1)CCO a23afe624bfb764f331e6aab5eebe38b [0,0,2,0,0,0|2,0,0]=4 455 B19R1.108460 CCC(=O)CCCCNCc1ccc(c(c1)C)OC 3bcfd3877030fc776eafc0e0b2ea0dba [0,0,2,0,0,0|2,0,0]=4 456 B19R1.108460 CCC(=O)CCCCOCc1ccc(c(c1)C)OC eee15a78fe3ce19ddc8c7034f749b126 [0,0,2,0,0,0|2,0,0]=4 457 B19R1.300913 CCOc1cccc(c1)C(CC)OCOC(=O)CC a8e6abb7c9c55d54aaf4bde59fd376ca [0,0,2,0,0,0|2,0,0]=4 458 B21R3.30789 O=C1CCC(CC1)CNCc2ccc3c(c2)CCO3 c6a4e85c415e22ca7ce7dc4f029ec52e [0,0,1,1,0,0|2,0,0]=4 459 B21R3.30789 O=C1CCC(CC1)COCc2ccc3c(c2)CCO3 947169363588d4c65ee46974a757965e [0,0,1,1,0,0|2,0,0]=4 460 B21R3.30789 O=C1CCC(CC1)OCCc2ccc3c(c2)CCO3 90000fda7be77acd2232b097c300c13c [0,0,1,1,0,0|2,0,0]=4 461 B21R3.30789 O=C1CCC(CN1)CNCc2ccc3c(c2)CCC3 f7bfc3b937841c7e3937ad61b33c7cdc [0,0,1,1,0,0|2,0,0]=4 462 B21R3.30789 O=C1CCC(CN1)CNCc2ccc3c(c2)CCO3 3d50581a31a2c814eded62a57ff2e556 [0,0,1,1,0,0|1,0,0]=3 463 B21R3.30789 O=C1CCC(CN1)COCc2ccc3c(c2)CCC3 ffa260dd5cfa811fdca2124ffd9cd7d0 [0,0,1,1,0,0|2,0,0]=4 464 B21R3.30789 O=C1CCC(CN1)COCc2ccc3c(c2)CCO3 83acc3dac63566bd3f258a6cfda3fa88 [0,0,1,1,0,0|1,0,0]=3 465 B21R3.30789 O=C1CCC(CN1)NCCc2ccc3c(c2)CCO3 6aa06a466af6a04ed17a8f9f4c2be27b [0,0,1,1,0,0|1,0,0]=3 466 B21R3.30789 O=C1CCC(CN1)OCCc2ccc3c(c2)CCO3 f4c0254bef6bfbba827eb013f1b001ce [0,0,1,1,0,0|1,0,0]=3 467 B21R3.30789 O=C1CCC(CO1)OCCc2ccc3c(c2)CCO3 db82c57258c7f68f3222cdcccb35ef90 [0,0,1,1,0,0|2,0,0]=4 468 B21R3.30789 O=C1CC[C@@H](CN1)NCCc2ccc3c(c2)CCO3 9ea204fd2ecfcad999d286055a9551e3 [0,0,1,1,0,0|1,0,0]=3 469 B21R3.30789 O=C1CC[C@@H](CN1)OCCc2ccc3c(c2)CCO3 d90bb97d71dd3733c2c764e44eec0567 [0,0,1,1,0,0|1,0,0]=3 470 B21R3.30789 O=C1CC[C@H](CN1)NCCc2ccc3c(c2)CCO3 0ad4c49aaaa0ef95830f3d6208e1f6ed [0,0,1,1,0,0|1,0,0]=3 471 B21R3.30789 O=C1CC[C@H](CN1)OCCc2ccc3c(c2)CCO3 1f82523b685a932b2dffdc4c514f6ebf [0,0,1,1,0,0|1,0,0]=3 472 B21R3.30789 O=C1COC(CN1)CNCc2ccc3c(c2)CCO3 efed71fe4a7233bfa80918a9555e7fb2 [0,0,1,1,0,0|2,0,0]=4 473 B21R3.30789 O=C1COC(CN1)COCc2ccc3c(c2)CCO3 1cb15187ea829695a76e7df5bc8b5584 [0,0,1,1,0,0|2,0,0]=4 474 B21R3.30789 O=C1CO[C@@H](CN1)COCc2ccc3c(c2)CCO3 4b98402e7c6e2c9ebd5fbe6f44f50d79 [0,0,1,1,0,0|2,0,0]=4 475 B21R3.30789 O=C1CO[C@H](CN1)COCc2ccc3c(c2)CCO3 613c7d372b8404125152fc7b828e00ad [0,0,1,1,0,0|2,0,0]=4 476 B21R3.30789 O=C1NCC(CN1)COCc2ccc3c(c2)CCO3 8445bb2665da099c07e061cfc358f252 [0,0,1,1,0,0|2,0,0]=4 477 B21R3.30789 O=C1NCC(CN1)OCCc2ccc3c(c2)CCO3 1176d375180761cbb896646f33ea3c87 [0,0,1,1,0,0|2,0,0]=4 478 B21R3.142135 O=C1CCC(C1)COCCc2ccc3c(c2)CCO3 f014db157c026c8a350b24ca1150338f [0,0,1,1,0,0|2,0,0]=4 479 B21R3.142135 O=C1CCC(N1)CNCCc2ccc3c(c2)CCO3 6541586c18faf0dc83b185e83ba73ba1 [0,0,1,1,0,0|1,0,0]=3 480 B21R3.142135 O=C1CCC(N1)COCCc2ccc3c(c2)CCO3 865ee7137951e17265f7b2d9cd2731bc [0,0,1,1,0,0|1,0,0]=3 481 B21R3.142135 O=C1CCC(O1)COCCc2ccc3c(c2)CCO3 dc91a5ef58b885fa0a00871c3791cbf8 [0,0,1,1,0,0|2,0,0]=4 482 B21R3.142135 O=C1CC[C@@H](N1)CNCCc2ccc3c(c2)CCO3 45747633e5821245db771f8de3d9dd47 [0,0,1,1,0,0|1,0,0]=3 483 B21R3.142135 O=C1CC[C@@H](N1)COCCc2ccc3c(c2)CCO3 3ff13b76d4d77ce6082aedeb9cae0fa9 [0,0,1,1,0,0|1,0,0]=3 484 B21R3.142135 O=C1CC[C@@H](O1)COCCc2ccc3c(c2)CCO3 c5a556ff378ef0b2d78d03b8245a3242 [0,0,1,1,0,0|2,0,0]=4 485 B21R3.142135 O=C1CC[C@H](C1)COCCc2ccc3c(c2)CCO3 30d42a26cf62fc631d521d39c96d1abb [0,0,1,1,0,0|2,0,0]=4 486 B21R3.142135 O=C1CC[C@H](N1)CCOCc2ccc3c(c2)CCC3 b6c295b312dcb888172515fd65d00229 [0,0,1,1,0,0|2,0,0]=4 487 B21R3.142135 O=C1CC[C@H](N1)CCOCc2ccc3c(c2)CCO3 6f04604e8525b0f67ecb832a0f28e3b9 [0,0,1,1,0,0|1,0,0]=3 488 B21R3.142135 O=C1CC[C@H](N1)CNCCc2ccc3c(c2)CCO3 f8f029d7a64be8d5068080eccc03c460 [0,0,1,1,0,0|1,0,0]=3 489 B21R3.142135 O=C1CC[C@H](N1)COCCc2ccc3c(c2)CCO3 9cac3b9c10ce01ac558126ef885e3601 [0,0,1,1,0,0|1,0,0]=3 490 B21R3.142135 O=C1CC[C@H](O1)COCCc2ccc3c(c2)CCO3 125ddb8df31d4991b0d59a1d12a6d363 [0,0,1,1,0,0|2,0,0]=4 491 B21R3.142135 O=C1NCC(N1)COCCc2ccc3c(c2)CCO3 5b6823a020776016fe43e3781dcc015e [0,0,1,1,0,0|2,0,0]=4 492 B21R3.152175 CC1C(=O)NCCN1CCc2ccc3c(c2)CCO3 930c77fb7c24eeb5766b0c1e8045b57d [0,0,1,1,0,0|1,0,0]=3 493 B21R3.152175 C[C@@H]1C(=O)NCCN1CCc2ccc3c(c2)CCO3 2cc2a4afdd5ce74db9d6af4d21f4fbae [0,0,1,1,0,0|1,0,0]=3 494 B21R3.152175 C[C@H]1C(=O)NCCN1CCc2ccc3c(c2)CCO3 4a56b52380b14113d384c907d6fc8b13 [0,0,1,1,0,0|1,0,0]=3 495 B21R3.473364 O=C1CCC1CCOCCc2ccc3c(c2)CCO3 282d4c8b5b0b2f17d1a6149756196fd1 [0,0,1,1,0,0|2,0,0]=4 496 B21R3.3875670 C[C@@H]1C(=O)NCCCN1Cc2ccc3c(c2)CCC3 0d1820b1c5f41388cc4bd044b85c1781 [0,0,1,1,0,0|2,0,0]=4 497 B21R3.3875670 C[C@@H]1C(=O)NCCCN1Cc2ccc3c(c2)CCO3 fbd8f57a2a75d44e5e2e93056f0d9506 [0,0,1,1,0,0|1,0,0]=3 498 B21R3.3875670 C[C@H]1C(=O)NCCCN1Cc2ccc3c(c2)CCC3 69078cd5caa1ee735ebfa8281a0f4eee [0,0,1,1,0,0|2,0,0]=4 499 B21R3.3875670 C[C@H]1C(=O)NCCCN1Cc2ccc3c(c2)CCO3 87290b42e49b374538a9d604c3a710f8 [0,0,1,1,0,0|1,0,0]=3 500 B21R3.4485843 O=C1CCCN(CC1)CCc2ccc3c(c2)CCO3 2a71b32b47efbfe358bea0019071613c [0,0,1,1,0,0|2,0,0]=4 501 B21R3.4485843 O=C1CCN(CCN1)CCc2ccc3c(c2)CCO3 4e7bc40347b0e76cbe032e8449d4b43d [0,0,1,1,0,0|1,0,0]=3 502 B21R3.22753138 Cc1ccc2c(c1N(C)CC3CCC(=O)N3)CCN2 ace0aed6a26c1e058f8d7e2b1fbd6a7f [0,0,1,1,0,0|2,0,0]=4 503 B21R3.22753138 Cc1ccc2c(c1N(C)C[C@@H]3CCC(=O)N3)CCN2 27c3a1cf69e59734cae5d566596e8309 [0,0,1,1,0,0|2,0,0]=4 504 B21R3.22753138 Cc1ccc2c(c1N(C)C[C@H]3CCC(=O)N3)CCN2 e4f732f488ba3d0d6aa8b436c306e49b [0,0,1,1,0,0|2,0,0]=4 505 B21R4.14970130 c1cc2c(c3c1CCC3CCNC4CC4)CCO2 ceff2b8f176ffe07910cf08e174b68ae [1,0,0,1,0,0|0,0,1]=3 506 B21R4.280091 O=C1CC(C1)OC2CCc3c2c4c(cc3)OCC4 23f31505d1e83a23e0f55d239d0627ed [1,0,0,1,0,0|2,0,0]=4 507 B23R4.89223 O=C1CCC(CC1)OC2CCc3c2c4c(cc3)OCC4 fd71969b23df5b46eeb6df87b41ceb40 [0,0,0,1,0,1|1,0,0]=3 508 B23R4.206382 O=C1CCC1CCOC2CCc3c2c4c(cc3)OCC4 172958c736bbbc8fd708ed131ece5edf [0,0,0,1,0,1|1,0,0]=3 509 B23R4.206382 O=C1CCC1NCCC2CCc3c2c4c(cc3)OCC4 7acd498aa569317fe10778d5e1769614 [0,0,0,1,0,1|0,0,0]=2 510 B23R4.757391 COC(=O)C1CC1OC2CCc3c2c4c(cc3)OCC4 e765d3976f10b87a3bbe5b23bbb4b3ce [0,0,0,1,0,1|2,0,0]=4 511 B23R4.1776253 O=C1CC(CN1)COC2CCc3c2c4c(cc3)OCC4 22812937e8acd5c5c73d566cf3c9709d [0,0,0,1,0,1|2,0,0]=4 512 B23R4.1776253 O=C1CCC(N1)COC2CCc3c2c4c(cc3)OCC4 0a113900167f01488b1c5d69eede0773 [0,0,0,1,0,1|0,0,0]=2 513 B23R4.1776253 O=C1CCC(O1)COC2CCc3c2c4c(cc3)OCC4 7f820af5caac019956c61900d16f3586 [0,0,0,1,0,1|1,0,0]=3 514 B23R4.1776253 O=C1CC[C@@H](N1)COC2CCc3c2c4c(cc3)OCC4 38ef5db264f54a542c88cd8d5d9f517d [0,0,0,1,0,1|0,0,0]=2 515 B23R4.1776253 O=C1CC[C@H](N1)COC2CCc3c2c4c(cc3)OCC4 8f4d8306ae1732d56c947e4653832f72 [0,0,0,1,0,1|0,0,0]=2 516 B23R4.1868364 c1cc2c(c3c1CCC3CCNCC4CCC4)CCO2 80d669ab98c58fafd79769983935b398 [0,0,0,1,0,1|1,0,1]=4 517 B23R4.1868364 c1cc2c(c3c1CCC3CCNCC4CCO4)CCO2 92c37c35fc5099711876e4f3b0b02d01 [0,0,0,1,0,1|0,0,2]=4 518 B23R4.1868364 c1cc2c(c3c1CCC3CCNC[C@@H]4CCO4)CCO2 f6152dc4975b6cf7370e80e948e4e6a1 [0,0,0,1,0,1|0,0,2]=4 519 B23R4.1868364 c1cc2c(c3c1CCC3CCNC[C@H]4CCO4)CCO2 7e23933c2bf5c8bfc2dcf51582898d7c [0,0,0,1,0,1|0,0,2]=4 520 B23R4.9526570 CC1(CC1)CNCCC2CCc3c2c4c(cc3)OCC4 e7baf62f7d7b76b5671aee8285372fcb [0,0,0,1,0,1|1,0,1]=4 521 B23R4.9526570 FC1(CC1)CNCCC2CCc3c2c4c(cc3)OCC4 916b26da5d9f2d3f3856ba0021a502a9 [0,0,0,1,0,1|1,0,1]=4 522 B23R4.199624 O=C1CCCC(C1)OC2CCc3c2c4c(cc3)OCC4 20314d7b859eb1fdf870e1f23ac2451d [0,1,0,1,0,0|2,0,0]=4 523 B23R4.1869959 c1cc2c(c3c1CCC3CCNC4CCCC4)CCO2 7f3cb21dfa84bdf4078daf6dd33399a9 [0,1,0,1,0,0|1,0,1]=4 524 B23R4.1869959 c1cc2c(c3c1CCC3CCNC4CCOC4)CCO2 2cb055ef41dc9a0e705c976298ce24c0 [0,1,0,1,0,0|0,0,2]=4 525 B23R4.1869959 c1cc2c(c3c1CCC3CCN[C@@H]4CCOC4)CCO2 02b95771eba57eb1e47ec36f32c44ba7 [0,1,0,1,0,0|0,0,2]=4 526 B23R4.1869959 c1cc2c(c3c1CCC3CCN[C@H]4CCOC4)CCO2 0335a5d1673671aeb254e60ba75191f5 [0,1,0,1,0,0|0,0,2]=4 527 B23R4.2000674 O=C1CCCN1COC2CCc3c2c4c(cc3)OCC4 5d2cd6d1b123e3a2a30772c2bbc3e59e [0,1,0,1,0,0|1,0,0]=3 528 B23R4.2143957 OC1CC(C1)NCCC2CCc3c2c4c(cc3)OCC4 06ada864c9d58c88812c76b488fb0e1d [0,1,0,1,0,0|1,0,1]=4 529 B23R4.554472867 CC(NCCC1CCc2c1c3c(cc2)OCC3)C4CC4 36dc26ea7f705efa0227c4cde61f22a6 [0,1,0,1,0,0|1,0,1]=4 530 B23R4.554472867 O=C(OCOC1CCc2c1c3c(cc2)OCC3)C4CC4 fffc4c456073f6b02196468692af22e1 [0,1,0,1,0,0|2,0,0]=4 531 B23R4.93155275 CC1(CC1NCCC2CCc3c2c4c(cc3)OCC4)C 9b12df969de9d8ef79a27be39515920a [0,1,0,1,0,0|1,0,1]=4 532 B19R2.155010 C=C(CC)COCCCc1ccc2c(c1)CCO2 9f332d5e035d26725a075255f01dee97 [0,0,1,0,1,0|2,0,0]=4 533 B19R2.155010 CCC(=O)CCCCNc1ccc2c(c1)CCC2 aef609fa34cddd9690baeb18074f2185 [0,0,1,0,1,0|2,0,0]=4 534 B19R2.155010 CCC(=O)CCCCNc1ccc2c(c1)CCO2 59cdd08379a9584a8a0f005c73fb06bf [0,0,1,0,1,0|1,0,0]=3 535 B19R2.155010 CCC(=O)CCCCNc1ccc2c(n1)CCO2 661324f7a6fff1ef3a946421aee3fd2a [0,0,1,0,1,0|2,0,0]=4 536 B19R2.155010 CCC(=O)CCCCNc1cnc2c(c1)CCO2 384d1a474e280ef37f2d045917de72a0 [0,0,1,0,1,0|2,0,0]=4 537 B19R2.155010 CCC(=O)CCCCOc1ccc2c(c1)CCO2 55bc02010cd3c6a15db98cabd7c9bbd7 [0,0,1,0,1,0|1,0,0]=3 538 B19R2.155010 CCC(=O)COCCCc1ccc2c(c1)CCO2 7cbcfc8c91e67d62a5fb06492d231db3 [0,0,1,0,1,0|1,0,0]=3 539 B19R2.155010 CCC(=O)NCCNCc1ccc2c(c1)CCC2 a3b1203b4d15d74d4b13d17c795dfdc3 [0,0,1,0,1,0|2,0,0]=4 540 B19R2.155010 CCC(=O)NCCNCc1ccc2c(c1)CCO2 91f573b32e8ef2a53edff5530cc70c3b [0,0,1,0,1,0|1,0,0]=3 541 B19R2.155010 CCC(=O)NCCOCc1ccc2c(c1)CCC2 c5d75ccb6c0cb5753b934b0c971a703c [0,0,1,0,1,0|2,0,0]=4 542 B19R2.155010 CCC(=O)NCCOCc1ccc2c(c1)CCO2 ebc3bd5c049425d0bb05b7f2f595244b [0,0,1,0,1,0|1,0,0]=3 543 B19R2.155010 CCC(=O)OCCOCc1ccc2c(c1)CCO2 fa4c1deff955029f4be0846cae9d1b39 [0,0,1,0,1,0|2,0,0]=4 544 B19R2.155010 CCC(=O)OCOCCc1ccc2c(c1)CCO2 9199a0348e82daf81da9ca6a396a4f7c [0,0,1,0,1,0|2,0,0]=4 545 B19R2.155010 CCS(=O)CCOCCc1ccc2c(c1)CCO2 14089885bd4d9e7eb1e1af0cd3774571 [0,0,1,0,1,0|2,0,0]=4 546 B19R2.155010 CNC(=O)CCCNCc1ccc2c(c1)CCO2 838057a31d55cbac327d086d988abe6d [0,0,1,0,1,0|2,0,0]=4 547 B19R2.155010 CNC(=O)CCCOCc1ccc2c(c1)CCO2 e388226001af5b15e11a139efeec5377 [0,0,1,0,1,0|2,0,0]=4 548 B19R2.155010 CNC(=O)CCNCCc1ccc2c(c1)CCO2 6f5cf8c042c89f07facf4dda3c071133 [0,0,1,0,1,0|2,0,0]=4 549 B19R2.155010 CNC(=O)CCOCCc1ccc2c(c1)CCO2 76e35c5736849e3fee6514dcbe890514 [0,0,1,0,1,0|2,0,0]=4 550 B19R2.155010 CNC(=O)COCCCc1ccc2c(c1)CCO2 a8715435c84fba80fd2ff965fd6be365 [0,0,1,0,1,0|2,0,0]=4 551 B19R2.155010 COC(=O)CCCCNc1ccc2c(c1)CCO2 13a70d1ab0b0083045a8f2a564bbb82b [0,0,1,0,1,0|2,0,0]=4 552 B19R2.155010 COC(=O)CCCCOc1ccc2c(c1)CCO2 e96e57b7ab06bcb0bacb53e367fcb7e1 [0,0,1,0,1,0|2,0,0]=4 553 B19R2.155010 COC(=O)CCCNCc1ccc2c(c1)CCO2 3f07c690cb8fc6771a4f195a51965039 [0,0,1,0,1,0|2,0,0]=4 554 B19R2.155010 COC(=O)CCCOCc1ccc2c(c1)CCO2 e39fc4c2766994f1ada9e626d1184e56 [0,0,1,0,1,0|2,0,0]=4 555 B19R2.155010 COC(=O)CCNCCc1ccc2c(c1)CCO2 35a320c0a4d55f0926575662a2475394 [0,0,1,0,1,0|2,0,0]=4 556 B19R2.155010 COC(=O)CCOCCc1ccc2c(c1)CCO2 19db18a138423754bd7b03a7d69b3292 [0,0,1,0,1,0|2,0,0]=4 557 B19R2.155010 COC(=O)COCCCc1ccc2c(c1)CCO2 988f6df68748d7365a782fe6bcc80c3c [0,0,1,0,1,0|2,0,0]=4 558 B19R2.165309 CCC(=O)CCCCOCc1ccc2c(c1)CC2 4aa1eae6545a2c90d114aa5e31bbfbed [0,0,1,0,1,0|2,0,0]=4 559 B19R2.1399162 CCN(CCC(=O)NC)c1cccc2c1CCO2 deccd6d8e05bc733ad57c9d17120ae74 [0,0,1,0,1,0|2,0,0]=4 560 B19R3.6888155 C=C(C)COC1CCc2c1c3c(cc2)OCC3 6743b4b6948d9cb24164be19cbb479c0 [1,0,0,0,1,0|2,0,0]=4 561 B19R3.6888155 NC(=O)COC1CCc2c1c3c(cc2)OCC3 57e5d95db5fec3661a70b08524849a95 [1,0,0,0,1,0|2,0,0]=4 562 B19R3.6888155 O=C(O)COC1CCc2c1c3c(cc2)OCC3 f7e8b2603db89525084832adb57813e0 [1,0,0,0,1,0|2,0,0]=4 563 B21R2.369522 C=CC(=O)NCCCCOCc1ccc2c(c1)CCO2 b0d9fedc54f56b4925aae10a0d540762 [0,0,1,0,0,1|0,0,2]=4 564 B21R2.369522 C=CC(=O)NCCCOCCc1ccc2c(c1)CCO2 26330abdb5061cea83eac5779fe6cdf6 [0,0,1,0,0,1|0,0,2]=4 565 B21R2.369522 CCC(=O)CCCCOCCc1ccc2c(c1)CCO2 1bc6215c75e6cadc7accf3b4d33b6f43 [0,0,1,0,0,1|1,0,0]=3 566 B21R2.369522 CCC(=O)NCCCCCOc1ccc2c(c1)CCC2 19135014b70b18d4fcac9b5280b87698 [0,0,1,0,0,1|1,0,0]=3 567 B21R2.369522 CNC(=O)CCCOCCCc1ccc2c(c1)CCO2 fddcf0405e4990f1976e5f5f27d0ca72 [0,0,1,0,0,1|2,0,0]=4 568 B21R2.369522 COC(=O)CCCCCCNc1ccc2c(c1)CCO2 bfaef85a8cfb09ca31263adef09c6798 [0,0,1,0,0,1|2,0,0]=4 569 B21R2.369522 COC(=O)CCCCCCOc1ccc2c(c1)CCO2 2595cd6027a37c9192e1dbc0cf55f041 [0,0,1,0,0,1|2,0,0]=4 570 B21R2.369522 COC(=O)CCCCCNCc1ccc2c(c1)CCO2 a90a7b83c8f4d0b5281c1553f0180d7c [0,0,1,0,0,1|2,0,0]=4 571 B21R2.369522 COC(=O)CCCCCOCc1ccc2c(c1)CCO2 cd476c00f38de1217dbb47f0cd0c3837 [0,0,1,0,0,1|2,0,0]=4 572 B21R2.369522 COC(=O)CCCCNCCc1ccc2c(c1)CCO2 75208b22ab1ecf217580dd048066232a [0,0,1,0,0,1|2,0,0]=4 573 B21R2.369522 COC(=O)CCCCOCCc1ccc2c(c1)CCO2 234576420e60bb1af724fb1c131cfdce [0,0,1,0,0,1|2,0,0]=4 574 B21R2.369522 COC(=O)CCCOCCCc1ccc2c(c1)CCO2 f28eb873028d8e52ee2821b31f455978 [0,0,1,0,0,1|2,0,0]=4 575 B21R2.369522 O=C(CF)NCCCCCOc1ccc2c(c1)CCC2 079101850b23183315d5bd0eeee34b9e [0,0,1,0,0,1|2,0,0]=4 576 B21R2.369522 O=C(CO)NCCCCCOc1ccc2c(c1)CCC2 822405f5bc664a8b3dc95c800f79d24f [0,0,1,0,0,1|2,0,0]=4 577 B21R2.369522 O=C(CS)NCCCCCOc1ccc2c(c1)CCC2 e10ef13c33302fe5c2d6668837c20226 [0,0,1,0,0,1|2,0,0]=4 578 B21R2.512661 CCC(=O)CCCCNCc1ccc2c(c1)CCCO2 647c1a6c7475443da01ad5d8320ebfec [0,0,1,0,0,1|2,0,0]=4 579 B21R2.512661 CCC(=O)CCCCNCc1ccc2c(c1)OCCO2 89ac8de9b87b173ea4180e8adb9dc622 [0,0,1,0,0,1|2,0,0]=4 580 B21R2.512661 CCC(=O)CCCCOCc1ccc2c(c1)CCCO2 2d9252b326a98260aa77d7020e8c0b55 [0,0,1,0,0,1|2,0,0]=4 581 B21R2.512661 CCC(=O)CCCCOCc1ccc2c(c1)OCCO2 713313ff68f549325e2d5a80eb73e63b [0,0,1,0,0,1|2,0,0]=4 582 B23R3.188429622 CCC(=O)CCCCOC1CCc2c1c3c(cc2)OCC3 9822f4dc0f8a06c7c9e03386bc036e02 [0,0,0,0,0,2|1,0,0]=3 583 B23R3.188429622 CCC(=O)OCNCCC1CCc2c1c3c(cc2)OCC3 5c41f4db50086e112de81bb1a49ad499 [0,0,0,0,0,2|0,0,0]=2 584 B23R3.188429622 CCC(C)CCNCCC1CCc2c1c3c(cc2)OCC3 9711f4dec4949f8e516d6a6c44af6c9a [0,0,0,0,0,2|1,0,1]=4 585 B23R3.188429622 CCS(=O)CCNCCC1CCc2c1c3c(cc2)OCC3 537ad709a0ddd97955e4d939028926e1 [0,0,0,0,0,2|1,0,0]=3 586 B23R3.188429622 CNC(=O)CCNCCC1CCc2c1c3c(cc2)OCC3 ec12b4388fd18bd1bcf4d7fee78c6a75 [0,0,0,0,0,2|1,0,0]=3 587 B23R3.188429622 COC(=O)CCCCOC1CCc2c1c3c(cc2)OCC3 6685ff1e11b5472de2abf6b9d7d9646e [0,0,0,0,0,2|2,0,0]=4 588 B23R3.188429622 COC(=O)CCNCCC1CCc2c1c3c(cc2)OCC3 61db28b451ea0b4fd7eadecd62849690 [0,0,0,0,0,2|1,0,0]=3 589 B23R3.188429622 COC(=O)COCCOC1CCc2c1c3c(cc2)OCC3 6d849b561d5b54cfad88ac7dda67eef9 [0,0,0,0,0,2|2,0,0]=4 590 B23R3.188429622 COC(=O)OCNCCC1CCc2c1c3c(cc2)OCC3 6e20f000180dd20c11353ba577b67804 [0,0,0,0,0,2|1,0,0]=3