0 B22R2.34807020 CC(=O)OCC(C)COc1cccc2c1oc(c2)C(=O)C e96a4b93eb766a7f3a7e44b9ca4bbee5 [0,0,0,0,0,0|3,0,1]=4 1 B22R2.34807020 CC(=O)c1cc2c(cccc2s1)NCC(O)COC(C)C 49fd26d0b75dfe2eb4c82b6438bf3c57 [0,0,0,0,0,0|4,0,0]=4 2 B22R2.34807020 CC(=O)c1cc2cccc(c2o1)NCC(O)COC(C)C a4adfd9c2d7a46b9da68b7c8ea885676 [0,0,0,0,0,0|2,0,0]=2 3 B22R2.34807020 CC(=O)c1cc2cccc(c2o1)OCC(=O)NCC(C)C 64093001088c8fe9ca235210bf3e8315 [0,0,0,0,0,0|2,0,2]=4 4 B22R2.34807020 CC(=O)c1cc2cccc(c2o1)OCC(C)CCC(C)C 409b4642058ecbaf6c03ac6120fed887 [0,0,0,0,0,0|2,0,0]=2 5 B22R2.34807020 CC(C)CCC(C)COc1cccc2c1[nH]c(c2)C(=O)O 0b236e5babe2cfe7a266cae0f20acef5 [0,0,0,0,0,0|4,0,0]=4 6 B21R2.457419 CC(C)OCC(O)CNc1cccc2c1oc(c2)C=O ea182c73c86d7120f01e507da48cf7bd [1,0,0,0,0,0|2,0,0]=3 7 B21R2.457419 CC(C)OCC(O)CNc1cccc2c1oc(n2)C=O a7d0ddd1d76e6f346976ce9274205268 [1,0,0,0,0,0|3,0,0]=4 8 B21R2.457419 CC(C)OCC(O)CNc1cncc2c1oc(c2)C=O 360162e8af43240c881881f17859a6bd [1,0,0,0,0,0|3,0,0]=4 9 B21R2.457419 CSc1cc2cccc(c2o1)NCC(O)COC(C)C 48a1a38a3d15f521473670f67d19a1bf [1,0,0,0,0,0|3,0,0]=4 10 B21R2.2024934 CCCCC(O)CNc1cccc2c1oc(c2)C(=O)C 3903a88cfe883d8548aece252e45c4ca [1,0,0,0,0,0|2,0,0]=3 11 B21R2.2024934 CCOCC(O)CNc1cccc2c1oc(c2)C(=O)C 5759b1d1bed65f8609c5793328839356 [1,0,0,0,0,0|2,0,0]=3 12 B21R2.4806529 CC(=O)CCCCOc1cccc2c1oc(c2)C(=O)C b24c186e18c117707a8d70c46a506a5f [1,0,0,0,0,0|2,0,1]=4 13 B21R2.4806529 CC(=O)NCCCNc1cccc2c1oc(c2)C(=O)C 472a0d7a9bdbb517e87515c4d7dd1114 [1,0,0,0,0,0|2,0,1]=4 14 B21R2.4806529 CC(=O)NCCCOc1cccc2c1oc(c2)C(=O)C c973a757d74c24d50eb66d6d1fc3b3dc [1,0,0,0,0,0|1,0,1]=3 15 B21R2.4806529 CC(=O)OCCCOc1cccc2c1oc(c2)C(=O)C 2de5b9079d9bc81029fd0729b78dc019 [1,0,0,0,0,0|2,0,1]=4 16 B21R2.4806529 CC(=O)SCCCOc1cccc2c1oc(c2)C(=O)C 8190d0cf41c18bd4c57848d0fe7e1d21 [1,0,0,0,0,0|2,0,1]=4 17 B21R2.4806529 CC(=O)c1cc2cccc(c2o1)NCCCCN(C)C a30543fcb9933d78770cb6a7d2a68811 [1,0,0,0,0,0|3,0,0]=4 18 B21R2.4806529 CC(=O)c1cc2cccc(c2o1)NCCCOC(C)C bb15f3d7a932686b975d7d4c7a3b57cd [1,0,0,0,0,0|2,0,0]=3 19 B21R2.4806529 CC(=O)c1cc2cccc(c2o1)NCCCSC(C)C e0fd17627c50e5b5b1381cd54dc9135e [1,0,0,0,0,0|2,0,0]=3 20 B21R2.4806529 CC(=O)c1cc2cccc(c2o1)OCCCCC(C)C d25cc55ff259ae14275e7c770a33a52c [1,0,0,0,0,0|1,0,0]=2 21 B21R2.4806529 CC(=O)c1cc2cccc(c2o1)OCCCCN(C)C 360179a612eb9074513b0b09692b834a [1,0,0,0,0,0|2,0,0]=3 22 B21R2.4806529 CC(=O)c1cc2cccc(c2o1)OCCCOC(=S)C 8cb682ba6ce85194769a3b4388e1de30 [1,0,0,0,0,0|2,0,1]=4 23 B21R2.4806529 CC(=O)c1cc2cccc(c2o1)OCCOCC(C)C 04092374059a51a3544b31e1646eb27c [1,0,0,0,0,0|2,0,0]=3 24 B21R2.4806529 CC(C)CCCCOc1cccc2c1[nH]c(c2)C(=O)O e69bbd2d713a19c787be16eb48c7b9ac [1,0,0,0,0,0|3,0,0]=4 25 B23R3.1330915 CC(=O)c1cc2cccc(c2o1)NCC3CCC(CC3)C 783b8883e1f89716e10265375ec6ae54 [0,0,0,1,0,0|3,0,0]=4 26 B23R3.1330915 CC(=O)c1cc2cccc(c2o1)NCC3CNC(=O)CO3 d65d9aaf57703b70bc4fe25a701279e0 [0,0,0,1,0,0|2,0,1]=4 27 B23R3.1330915 CC(=O)c1cc2cccc(c2o1)OCC3CCC(=O)NC3 8ec55233cf8349b0edb338f2e17ee486 [0,0,0,1,0,0|2,0,1]=4 28 B23R3.1330915 CC(=O)c1cc2cccc(c2o1)OCC3CCC(CC3)C 2e2355f7f9c84faebfa700b41a80f723 [0,0,0,1,0,0|2,0,0]=3 29 B23R3.1330915 CC(=O)c1cc2cccc(c2o1)OCC3CNC(=O)CO3 5e2e8743ad18f70b2fdc422a1c6e8468 [0,0,0,1,0,0|1,0,1]=3 30 B23R3.19343535 CC(=O)c1cc2cccc(c2o1)NCC3CCC(O3)(C)C 2f459ed0a6b3173c9299b5ff499bcd89 [0,0,0,1,0,0|2,0,0]=3 31 B23R3.19343535 CC(=O)c1cc2cccc(c2o1)NCC3COC(C3)(C)C d1b622d5eef1db959c40a231f05ea1f4 [0,0,0,1,0,0|3,0,0]=4 32 B23R3.19343535 CC(=O)c1cc2cccc(c2o1)NC[C@H]3CCC(O3)(C)C 0ea3e3d530879896874c5bbaa90aa4f6 [0,0,0,1,0,0|2,0,0]=3 33 B23R3.150736131 CC(=O)c1cc2cccc(c2o1)OCC3CN(C3)C(=O)C 29c92988d3e3cf5a55563216b86a3d38 [0,0,0,1,0,0|2,0,1]=4 34 B21R2.8011990 CC(=O)c1cc2cccc(c2o1)OC(C)CCC(C)C e6226beee5e19436fab08a0129bd0ed4 [0,0,0,0,1,0|2,0,0]=3 35 B21R2.19884427 CC(=O)c1cc2c(cccc2s1)NCC(O)CC(C)C f61430bcdd3983e1ca8b8d5bc19b9e6c [0,0,0,0,1,0|3,0,0]=4 36 B21R2.19884427 CC(=O)c1cc2cccc(c2o1)NCC(=O)NC(C)C fb47beb0be34821f0da4bf546cd4f7bb [0,0,0,0,1,0|1,0,2]=4 37 B21R2.19884427 CC(=O)c1cc2cccc(c2o1)NCC(C)CN(C)C 6a1f13dedd2422466e05a81e6b3ab6a3 [0,0,0,0,1,0|3,0,0]=4 38 B21R2.19884427 CC(=O)c1cc2cccc(c2o1)NCC(O)CC(C)C ecec6298a80de37398b13ab2a69065c5 [0,0,0,0,1,0|1,0,0]=2 39 B21R2.19884427 CC(=O)c1cc2cccc(c2o1)NCC(O)CN(C)C ca34a5e26e1b03220970a8da5336fddf [0,0,0,0,1,0|2,0,0]=3 40 B21R2.19884427 CC(=O)c1cc2cccc(c2o1)OCC(=O)CC(C)C 2be7cdb0d9777e6e7aa9fae28cc10e05 [0,0,0,0,1,0|0,0,2]=3 41 B21R2.19884427 CC(=O)c1cc2cccc(c2o1)OCC(=O)NC(C)C 9dea7b25b2fb0a89d881fadc471a5a46 [0,0,0,0,1,0|0,0,2]=3 42 B21R2.19884427 CC(=O)c1cc2cccc(c2o1)OCC(=O)OC(C)C 5e60875c6682260217d5f675ddc898f0 [0,0,0,0,1,0|1,0,2]=4 43 B21R2.19884427 CC(=O)c1cc2cccc(c2o1)OCC(C)CN(C)C 1504031b140f8d6dc53aa78c3ea180a8 [0,0,0,0,1,0|2,0,0]=3 44 B23R2.59130212 CC(=O)c1ccc2c(cccc2c1)NCC(O)COC(C)C a055acad95856d7c69944ed80af9e058 [0,0,0,0,0,1|3,0,0]=4 45 B23R2.84624108 CC(=O)c1cc2cccc(c2o1)OCC(=O)NCCC(C)C ce83142979fcae9aced657b60bcf839b [0,0,0,0,0,1|1,0,2]=4 46 B23R2.244005057 CC(=O)c1ccc2cccc(c2n1)NCC(O)COC(C)C 2f66461642d18802bc71b176d0cd8707 [0,0,0,0,0,1|3,0,0]=4 47 B23R2.244005057 CC(=O)c1ccc2cccc(c2n1)OCC(C)CCC(C)C 955f83b5270aefe4c9ab032a67ea622c [0,0,0,0,0,1|3,0,0]=4 48 B20R1.421859 CC(=O)/C=C/c1cccc(c1)NCC(O)COC(C)C 4c70903ad83dfbf1c75a43c7ef32880f [1,0,1,0,0,0|2,0,0]=4 49 B20R1.421859 CC(=O)C=Cc1cccc(c1)NCC(O)COC(C)C 86980856bd246f90aa6103383fefcbef [1,0,1,0,0,0|2,0,0]=4 50 B20R2.19312 CC(C)OCCCNc1cccc2c1oc(c2)C=O 8ec67c2d3ef8cbb57396f8dad0341acc [2,0,0,0,0,0|2,0,0]=4 51 B20R2.19312 CC(C)SCCCNc1cccc2c1oc(c2)C=O a5c7c16deafe31c5a7500cdd0dcfb345 [2,0,0,0,0,0|2,0,0]=4 52 B20R2.2014965 CCCCC(O)CNc1cccc2c1oc(c2)C=O d9d27b301a9e491ac212797b73df2c78 [2,0,0,0,0,0|2,0,0]=4 53 B20R2.2014965 CCOCC(O)CNc1cccc2c1oc(c2)C=O ae4076a366d7347d2e5f19780b7283c2 [2,0,0,0,0,0|2,0,0]=4 54 B20R2.2051881 CC(=O)c1cc2cccc(c2o1)OC[C@@H](O)CCO eaf11b960c7d97206221af0abc6138b8 [2,0,0,0,0,0|1,0,0]=3 55 B20R2.2051881 CCCC(=O)COc1cccc2c1oc(c2)C(=O)C ea542cf41b7a3a5416eb00a0475d5d73 [2,0,0,0,0,0|0,0,2]=4 56 B20R2.2051881 CCCC(C)COc1cccc2c1oc(c2)C(=O)C f97878f2a48b97cb4afbe7a7f41be840 [2,0,0,0,0,0|1,0,0]=3 57 B20R2.2051881 CCCC(O)CNc1cccc2c1oc(c2)C(=O)C 0cd64565833247c7bbbc53fe5321e6fe [2,0,0,0,0,0|1,0,0]=3 58 B20R2.2051881 CCNC(=O)COc1cccc2c1oc(c2)C(=O)C 6064c87a33d38d14ab307a8e98197110 [2,0,0,0,0,0|0,0,2]=4 59 B20R2.2051881 COCC(O)CNc1cccc2c1oc(c2)C(=O)C 5ed08c424e614948da167e038add8544 [2,0,0,0,0,0|2,0,0]=4 60 B20R2.2051881 COC[C@@H](O)CNc1cccc2c1oc(c2)C(=O)C d3caca2e9d1ebc95deb08dc0f2820b04 [2,0,0,0,0,0|2,0,0]=4 61 B20R2.2326052 C/C=C\CCCOc1cccc2c1oc(c2)C(=O)C 6f603c92b70cb6106e06fa203c83e452 [2,0,0,0,0,0|1,0,1]=4 62 B20R2.2326052 CC#CCCCOc1cccc2c1oc(c2)C(=O)C 6aa9109615cec645c71e5868a0bb7dd0 [2,0,0,0,0,0|1,0,1]=4 63 B20R2.2326052 CC(=O)c1cc2cccc(c2o1)OCCCCCF 18511c5c1ce2c042b3e4156b4716cecb [2,0,0,0,0,0|2,0,0]=4 64 B20R2.2326052 CC/C=C\CCOc1cccc2c1oc(c2)C(=O)C 127481dd78864442f32b4684f06db9b8 [2,0,0,0,0,0|1,0,1]=4 65 B20R2.2326052 CCCCCCNc1cccc2c1oc(c2)C(=O)C 00671c84d6370b49e8c253437b222bc5 [2,0,0,0,0,0|2,0,0]=4 66 B20R2.2326052 CCCCCCOc1cccc2c1oc(c2)C(=O)C a9c450ddbf3edb09affdca517ab83892 [2,0,0,0,0,0|1,0,0]=3 67 B20R2.2326052 CCCCOCOc1cccc2c1oc(c2)C(=O)C 80327fc94a69798728cc8dea9af096e0 [2,0,0,0,0,0|2,0,0]=4 68 B20R2.2326052 CCCOCCOc1cccc2c1oc(c2)C(=O)C 1e29b1459e221ca2b9dbeb00c8103e10 [2,0,0,0,0,0|2,0,0]=4 69 B20R2.2326052 CCOCCCNc1cccc2c1oc(c2)C(=O)C 7c04399345fe1182ce51d0729669a61e [2,0,0,0,0,0|2,0,0]=4 70 B20R2.2326052 CCOCCCOc1cccc2c1oc(c2)C(=O)C db47e8e54403cfb45c4f8866002acb99 [2,0,0,0,0,0|1,0,0]=3 71 B20R2.2326052 CCSCCCOc1cccc2c1oc(c2)C(=O)C 719dae4697ff833701149a2dda8afb2c [2,0,0,0,0,0|1,0,0]=3 72 B20R2.2326052 COCCCCOc1cccc2c1oc(c2)C(=O)C 2dbdad07d5608737b0437d94efc98f78 [2,0,0,0,0,0|2,0,0]=4 73 B22R2.18759982 CC(C)OCC(O)CNc1ccc(c2c1oc(c2)C=O)F 957ac516d23e099a83b433dbbb7ba1cb [1,1,0,0,0,0|2,0,0]=4 74 B22R2.7280648 CCN(C)CC(C)CNc1cccc2c1oc(c2)C(=O)C fd05024c35ab2242a9f1eafc268930c8 [1,1,0,0,0,0|2,0,0]=4 75 B22R2.36119027 CCCCC(CC)COc1cccc2c1oc(c2)C(=O)C b62239c36409b48b880aca73db8ccdfb [1,1,0,0,0,0|2,0,0]=4 76 B22R2.36119027 CCCC[C@@H](CC)COc1cccc2c1oc(c2)C(=O)C 65e032a2cea5a81133ba0e96d63a3dcc [1,1,0,0,0,0|2,0,0]=4 77 B22R2.6524997 CC(=O)c1cc2cccc(c2o1)OCCCC(=O)N(C)C debd41cbb8b941ad9b9a99cecb392675 [1,1,0,0,0,0|2,0,0]=4 78 B22R2.6525005 CC(=O)c1cc2cccc(c2o1)NCCCOC(C)(C)C 5fd25baf4fb9ed5b1ccd381bba721211 [1,1,0,0,0,0|2,0,0]=4 79 B22R2.6525005 CC(=O)c1cc2cccc(c2o1)OCCCSC(C)(C)C 2557e1f857e269dd30616f69e0c9c386 [1,1,0,0,0,0|1,0,0]=3 80 B22R2.48526554 CC(=O)c1cc2cccc(c2o1)OCCC(=O)NC(C)C 55f54af8a5b700a0dbe3e3741c2cd00e [1,1,0,0,0,0|0,0,1]=3 81 B22R2.48526554 CC(=O)c1cc2cccc(c2o1)OCCC(=O)OC(C)C 871f0b5c267505ecf669bb283ac1b053 [1,1,0,0,0,0|1,0,1]=4 82 B22R2.34765886 CC(=O)c1cc2cccc(c2o1)OC(C)C(=O)NC(C)C be146a099b5ce4610757178a20754608 [0,1,0,0,1,0|1,0,1]=4 83 B22R2.6524990 CC(=O)c1cc2cccc(c2o1)OCC(=O)NC(C)(C)C e8fc719263718903b532e13270f52d69 [0,1,0,0,1,0|0,0,2]=4 84 B22R2.6524990 CC(=O)c1cc2cccc(c2o1)OCC(O)CC(C)(C)O e718c8c0946c2b02741a5cc57d83c443 [0,1,0,0,1,0|0,0,0]=2 85 B22R2.6524990 CC(C)(O)CC(O)COc1cccc2c1[nH]c(c2)C(=O)O eadc82a8ebabd56304d3330b8cc955d9 [0,1,0,0,1,0|2,0,0]=4 86 B22R2.6525006 CC(=O)c1cc2cccc(c2o1)OCC(=O)N(C)C(C)C 34c3f0653997e71718b7ff253c86eb57 [0,1,0,0,1,0|0,0,2]=4 87 B22R2.8500422 COC(=O)c1cc2cccc(c2s1)NCC(O)CC(C)C 4cc8b6e23ce8dc32b722939c1aeb8219 [0,1,0,0,1,0|1,1,0]=4 88 B22R2.34877925 CC(=O)c1cc2cccc(c2o1)OCC(C)(C)CN(C)C 6ff621d9db7818fbdc05792e9c1cca1f [0,1,0,0,1,0|2,0,0]=4 89 B22R2.38830314 CC(=O)c1cc2cccc(c2o1)NCC(CO)CC(C)C 448960dc391a87328f70ffe4eba42c9a [0,1,0,0,1,0|1,0,0]=3 90 B22R2.38830314 CC(=O)c1cc2cccc(c2o1)OCC(C#N)CC(C)C 2c9ccbfab3b0cb74317bafbd87bdeb53 [0,1,0,0,1,0|1,0,0]=3 91 B22R2.38830314 CC(C)CC(CO)CNc1cccc2c1oc(c2)C(=O)O f0f9dd654b5f6b5196f9ca5ba73af50d [0,1,0,0,1,0|2,0,0]=4 92 B24R2.1182813 COc1cc(c2oc(cc2c1)C(=O)C)NCC(O)COC(C)C a9784faa2af50dd341d509fc5e9d97aa [0,2,0,0,0,0|2,0,0]=4 93 B24R2.12168773 CC(O)c1cc2cccc(c2o1)OCC(O)CN(C=O)C(C)C 33b57d666dc26ef81bb5d2bfa48b0769 [0,2,0,0,0,0|0,0,2]=4 94 B24R2.12168773 CC(O)c1cc2cccc(c2o1)OCC(O)CN(CO)C(C)C ace738c69c9db90236f722c74978245f [0,2,0,0,0,0|0,0,2]=4 95 B24R2.12168773 CCN(CC(O)COc1cccc2c1oc(c2)C(C)O)C(C)C c3d492e209d76521a2a88cb9f96430e2 [0,2,0,0,0,0|0,0,2]=4 96 B24R2.14897714 CCOC(=O)c1cc2cccc(c2o1)NCC(O)COC(C)C 1341352aa568a4d8082dd4c86650ae6e [0,2,0,0,0,0|2,0,0]=4 97 B22R2.20832662 CC(=O)c1cc2cc(ccc2o1)NCC(O)COC(C)C d89117079ccf9bf6bb56b963882e154e [0,0,1,1,0,0|2,0,0]=4 98 B22R3.1306265 CC1(CCC(O1)CNc2cccc3c2oc(c3)C=O)C b2614a2b366fa79c149b8fef5e382b9c [1,0,0,1,0,0|2,0,0]=4 99 B22R3.1306265 CC1(CC[C@@H](O1)CNc2cccc3c2oc(c3)C=O)C 35db52b0852063c9a1473a4105d8a6b4 [1,0,0,1,0,0|2,0,0]=4 100 B22R3.18828130 CC(C)N1CC(C1)CNc2cccc3c2oc(c3)C=O 3a83745e30ab7d6a2539b2fb7afef3ba [1,0,0,1,0,0|2,0,0]=4 101 B22R3.344060 CC(=O)c1cc2cccc(c2o1)NC3CCCCC3O e1b8da9babe756dd451149c9e41bd47a [1,0,0,1,0,0|2,0,0]=4 102 B22R3.344060 CC(=O)c1cc2cccc(c2o1)NC3CCOCC3O 91f28d1c3a3b994f0b4d05aadaee48d3 [1,0,0,1,0,0|2,0,0]=4 103 B22R3.344060 CC(=O)c1cc2cccc(c2o1)N[C@@H]3CCCC[C@H]3O 7343cff8ca5599b7345db891a2d62a62 [1,0,0,1,0,0|2,0,0]=4 104 B22R3.344060 CC(=O)c1cc2cccc(c2o1)N[C@@H]3CCOC[C@@H]3O bd28f5cc4b40d679ee49c6f7a206377a [1,0,0,1,0,0|2,0,0]=4 105 B22R3.344060 CC(=O)c1cc2cccc(c2o1)N[C@@H]3CCOC[C@H]3O dda13b214ac2693cbf2c8f171e217fb2 [1,0,0,1,0,0|2,0,0]=4 106 B22R3.344060 CC(=O)c1cc2cccc(c2o1)N[C@H]3CCCC[C@@H]3O c9e1a2197e8fa5febab2181054a0a398 [1,0,0,1,0,0|2,0,0]=4 107 B22R3.344060 CC(=O)c1cc2cccc(c2o1)N[C@H]3CCCC[C@H]3O 789542bfd60fb5ba581b702b83dc0124 [1,0,0,1,0,0|2,0,0]=4 108 B22R3.344060 CC(=O)c1cc2cccc(c2o1)N[C@H]3CCOC[C@@H]3O a86679824be859fcf7fabcae9b0db26e [1,0,0,1,0,0|2,0,0]=4 109 B22R3.344060 CC(=O)c1cc2cccc(c2o1)N[C@H]3CCOC[C@H]3O e21ef26bc6f32693f252f145ece25dc9 [1,0,0,1,0,0|2,0,0]=4 110 B22R3.344060 CC(=O)c1cc2cccc(c2o1)OC3CCCCC3F 3897fe88d55384112a201af43d7ff88b [1,0,0,1,0,0|2,0,0]=4 111 B22R3.344060 CC(=O)c1cc2cccc(c2o1)O[C@H]3CCCC[C@H]3C b3d5cb702e9dc3f0083700ac16126064 [1,0,0,1,0,0|2,0,0]=4 112 B22R3.783100 CC(=O)c1cc2cccc(c2o1)NCC3CCCCO3 d7e2a9efdd2704503d61d954465adca5 [1,0,0,1,0,0|2,0,0]=4 113 B22R3.783100 CC(=O)c1cc2cccc(c2o1)NCC3COCCO3 e9c8ce9242a3d7ccdaf719229e543cee [1,0,0,1,0,0|2,0,0]=4 114 B22R3.783100 CC(=O)c1cc2cccc(c2o1)NC[C@H]3COCCO3 f4de8fc0e7e14d3afb539ed57727fa6b [1,0,0,1,0,0|2,0,0]=4 115 B22R3.783100 CC(=O)c1cc2cccc(c2o1)OCC3CCCCC3 0e6f2027f386764eb2374d9c56bb1f86 [1,0,0,1,0,0|2,0,0]=4 116 B22R3.783100 CC(=O)c1cc2cccc(c2o1)OCC3CCCCO3 ff20ab624e864f137bc594da6f06267c [1,0,0,1,0,0|1,0,0]=3 117 B22R3.783100 CC(=O)c1cc2cccc(c2o1)OCC3CCCOC3 535d95d7b4fa8c14fa237095926f75ec [1,0,0,1,0,0|2,0,0]=4 118 B22R3.783100 CC(=O)c1cc2cccc(c2o1)OCC3COCCO3 f176d956d63c3b4cac12170de044fdda [1,0,0,1,0,0|1,0,0]=3 119 B22R3.82435837 CC(=O)c1cc2cccc(c2o1)NCC3(CCCC3)O 4ba3846e6ff67e1cde7f1bbb1dcaed56 [1,0,0,1,0,0|2,0,0]=4 120 B22R3.82435837 CC(=O)c1cc2cccc(c2o1)NCC3(CCOC3)O 8fe4413b95b83cc739671a9eb1d8aa2f [1,0,0,1,0,0|2,0,0]=4 121 B22R3.82435837 CC(=O)c1cc2cccc(c2o1)OCC3(CCCC3)C a524f693bbdc107189215e81a8055af0 [1,0,0,1,0,0|2,0,0]=4 122 B22R3.82435837 CC(=O)c1cc2cccc(c2o1)OCC3(CCCC3)F 20334145ab6738666f423741eae6e670 [1,0,0,1,0,0|2,0,0]=4 123 B22R3.239454 CC(=O)c1cc2cccc(c2o1)NC3CCCC(C3)C f86ab3d8af488f64bbf6c6274d43fefc [1,0,0,1,0,0|2,0,0]=4 124 B22R3.239454 CC(=O)c1cc2cccc(c2o1)NC3CCOC(C3)C bd2641cd5cc994feda9cf823a9eb31dc [1,0,0,1,0,0|2,0,0]=4 125 B22R3.239454 CC(=O)c1cc2cccc(c2o1)N[C@@H]3CCC[C@H](C3)C 4d2d4a25c6066e76eaea197a36203c5f [1,0,0,1,0,0|2,0,0]=4 126 B22R3.239454 CC(=O)c1cc2cccc(c2o1)N[C@@H]3CCO[C@@H](C3)C 613a184b326666cb60c8ec2788d16c60 [1,0,0,1,0,0|2,0,0]=4 127 B22R3.239454 CC(=O)c1cc2cccc(c2o1)N[C@@H]3CCO[C@H](C3)C 54346c5ddfb803c11e968f265c627c4b [1,0,0,1,0,0|2,0,0]=4 128 B22R3.239454 CC(=O)c1cc2cccc(c2o1)N[C@H]3CCO[C@@H](C3)C eb712452993ecbdbf1653495e216f3cf [1,0,0,1,0,0|2,0,0]=4 129 B22R3.239454 CC(=O)c1cc2cccc(c2o1)N[C@H]3CCO[C@H](C3)C 56147e104e911ea14fed43826d80fc5e [1,0,0,1,0,0|2,0,0]=4 130 B22R3.12430137 CC(=O)c1cc2cccc(c2o1)NC3CCCC3(C)C cb91b6c948935160a46c63db5c04fcc1 [1,0,0,1,0,0|2,0,0]=4 131 B22R3.12430137 CC(=O)c1cc2cccc(c2o1)NC3CCOC3(C)C fff5c430d464a47af6dcdd04437659f2 [1,0,0,1,0,0|2,0,0]=4 132 B22R3.12430142 CC(=O)c1cc2cccc(c2o1)OCCCC=C3CC3 c8f86e933c4ee191de5f02f908031953 [1,0,0,1,0,0|1,0,1]=4 133 B22R3.228971 CC(=O)c1cc2cccc(c2o1)OC3CCC(CC3)C eb5453c62044c4faf7b6a6a3a350eeef [0,0,0,1,1,0|2,0,0]=4 134 B22R3.12430138 CC(=O)c1cc2cccc(c2o1)OC3CCC(C3)(C)C 133121e986c748bad599c271fd1a8757 [0,0,0,1,1,0|2,0,0]=4 135 B22R3.10163144 CC(=O)c1cc2cccc(c2o1)N[C@H]3CN(C[C@@H]3O)C 73ee72f4bf6c836235f79ad2cc83ed42 [0,0,0,1,1,0|2,0,0]=4 136 B22R3.51827256 CC(=O)c1cc2cccc(c2o1)NCC3(CC(C3)O)O bcb8f1065c57b3d84546032e489a799f [0,0,0,1,1,0|2,0,0]=4 137 B22R3.82436504 CC(=O)c1cc2cccc(c2o1)NCC3CC(C3)(C)C e1fc1cfd59cee3e461f0be42d69f11a9 [0,0,0,1,1,0|2,0,0]=4 138 B22R3.82436504 CC(=O)c1cc2cccc(c2o1)NCC3CC(O3)(C)C 22c9ae4801e48f3d5d2124c9abca1930 [0,0,0,1,1,0|1,0,0]=3 139 B22R3.82436504 CC(=O)c1cc2cccc(c2o1)OCC3CC(C3)(C)C 447087b4c3dc5bfc56a523992b47a6f3 [0,0,0,1,1,0|1,0,0]=3 140 B24R3.28562250 CC(=O)c1cc2cccc(c2o1)NCC3CCN(C3)C(C)C e0e48261a4657b526e0aa10ff0a5a1d9 [0,0,0,1,0,1|2,0,0]=4 141 B24R3.28790268 CC(=O)c1cc2cccc(c2o1)OCC3CCOC(C3)(C)C 1d4921b492967ecafd8931c785c11a2e [0,0,0,1,0,1|2,0,0]=4 142 B24R3.232391960 CC(=O)c1cc2cccc(c2o1)NCC3(CCCC(C3)C)O 97a6e907ecc7433e3793c45da7ca8fa3 [0,0,0,1,0,1|2,0,0]=4 143 B24R3.28790267 CC(=O)c1cc2cccc(c2o1)NCC3CCC(OC3)(C)C 458c2433107f12bc53afa1c38fb032ed [0,1,0,1,0,0|2,0,0]=4 144 B24R3.247801953 CC(=O)c1cc2cccc(c2o1)NCC3CN(C3)C(C)(C)C 493ca0a83338c9b0510b6c047c2faef9 [0,1,0,1,0,0|2,0,0]=4 145 B24R3.2508834 CC[C@H]1CC[C@@H](CC1)COc2cccc3c2oc(c3)C(=O)C 947dbdb29f5d5ad48c08f0e735975c36 [0,1,0,1,0,0|2,0,0]=4 146 B24R3.2508834 COC1CCC(CC1)COc2cccc3c2oc(c3)C(=O)C baadb772638787a243ba1a00ec859573 [0,1,0,1,0,0|2,0,0]=4 147 B24R3.37389613 CC(=O)c1cc2cccc(c2o1)NCC3(CCC(CC3)C)O d1c8e431d4a8822fa1609937e39a2d5c [0,1,0,1,0,0|2,0,0]=4 148 B20R2.301437 CC(C)CC(O)CNc1cccc2c1[nH]c(c2)C=O 95152c4809883d0521ae0462441bd7a7 [1,0,0,0,1,0|2,0,0]=4 149 B20R2.301437 CC(C)CC(O)CNc1cccc2c1oc(c2)C=O deab5b0bf6cb3c9429c7b7d9d077a0e0 [1,0,0,0,1,0|1,0,0]=3 150 B20R2.301437 CC(C)CC(O)CNc1cccc2c1oc(n2)C=O ffa97e2ee0834a2011ae5fb69bd1cb0b [1,0,0,0,1,0|2,0,0]=4 151 B20R2.301437 CC(C)CC(O)CNc1cccc2c1sc(c2)C=O 1cca59460bc5039a49f2eadbe3ab3813 [1,0,0,0,1,0|1,1,0]=4 152 B20R2.301437 CC(C)CC(O)CNc1cncc2c1oc(c2)C=O 49591ea7fda97ba8f4e311f1fc11730b [1,0,0,0,1,0|2,0,0]=4 153 B20R2.301437 CN(C)CC(O)CNc1cccc2c1oc(c2)C=O 60fdc88a7501fc112639930317f277fa [1,0,0,0,1,0|2,0,0]=4 154 B20R2.2009753 CCCCC(C)Oc1cccc2c1oc(c2)C(=O)C 328bb1f07abc117a59ae764aceea4c07 [1,0,0,0,1,0|2,0,0]=4 155 B20R2.753800 C=C(C)CCCOc1cccc2c1oc(c2)C(=O)C e510cb775760ed78a559495c8819a40f [1,0,0,0,1,0|0,0,2]=4 156 B20R2.753800 CC(=O)CCCOc1cccc2c1oc(c2)C(=O)C 98499e449a7cc601a645314b4d05d8ea [1,0,0,0,1,0|1,0,1]=4 157 B20R2.753800 CC(=O)NCCOc1cccc2c1oc(c2)C(=O)C 209309bd04aa092d4ab2f65a2ced8919 [1,0,0,0,1,0|1,0,1]=4 158 B20R2.753800 CC(=O)c1cc2cccc(c2o1)NCCCC(C)C 68a2c1edcdd389de34c05d5bc3262255 [1,0,0,0,1,0|1,0,0]=3 159 B20R2.753800 CC(=O)c1cc2cccc(c2o1)NCCCN(C)C 38fb6cb0d0f8ac611e2779f56841e90d [1,0,0,0,1,0|2,0,0]=4 160 B20R2.753800 CC(=O)c1cc2cccc(c2o1)NCCOC(C)C eeb8748af0a3bf9e1733e0e1501fb829 [1,0,0,0,1,0|2,0,0]=4 161 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OC/C=C/C(C)C 894e8ac4fa5c5e7e4e1758df5e238371 [1,0,0,0,1,0|0,0,2]=4 162 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCC=C(C)C d50e42ce3dc1e7280d5acfc77b6090d8 [1,0,0,0,1,0|0,0,2]=4 163 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCCC(C)C 87862e5bf0f5433e2f41086154e0b70e [1,0,0,0,1,0|0,0,0]=2 164 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCCN(C)C 0c51ced763a54d5d626824652941c3a8 [1,0,0,0,1,0|1,0,0]=3 165 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCOC(C)C 63b795eb8e8c666b11d3574efab17e38 [1,0,0,0,1,0|1,0,0]=3 166 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCSC(C)C 456600824bfeffc0b7ce4d7f109f0cf4 [1,0,0,0,1,0|1,0,0]=3 167 B20R2.753800 CC(C)CCCNc1cccc2c1oc(c2)C(=O)O 4ba6a38ca8ab40cdfab937ad5b939171 [1,0,0,0,1,0|2,0,0]=4 168 B20R2.753800 CC(C)CCCOc1cccc2c1[nH]c(c2)C(=O)O 1b8b0c0cc031711a638a94d07b1dce8f [1,0,0,0,1,0|2,0,0]=4 169 B20R2.7196173 CC(=O)c1cc2cccc(c2o1)OC(C)CC(C)C c45a43b66ddcb934b6584e5210b8936d [0,0,0,0,2,0|1,0,0]=3 170 B20R2.768932 CC(=O)c1cc2cccc(c2o1)NCC(O)C(C)C 933b45624eb6a0ff6967f20506132a2a [0,0,0,0,2,0|1,0,0]=3 171 B20R2.768932 CC(=O)c1cc2cccc(c2o1)OCC(=O)C(C)C 08640b1e47886c140ab0a8ce15dc877c [0,0,0,0,2,0|0,0,2]=4 172 B20R2.768932 CC(=O)c1cc2cccc(c2o1)OCC(C)C(C)C 278a15256413f09a71ba6e0170dc5c27 [0,0,0,0,2,0|1,0,0]=3 173 B22R2.8829946 CC(=O)c1cc2cccc(c2o1)NCCCCCC(C)C ddeda7e5bc950458f3667fc64342be0a [1,0,0,0,0,1|2,0,0]=4 174 B22R2.8829946 CC(=O)c1cc2cccc(c2o1)NCCCOCC(C)C a810981c4ea7d5d625f49af475793be6 [1,0,0,0,0,1|2,0,0]=4 175 B22R2.8829946 CC(=O)c1cc2cccc(c2o1)OCCCCCC(C)C 1a728f108570a4b7eef040120b26fc35 [1,0,0,0,0,1|1,0,0]=3 176 B22R2.34782240 CC(=O)c1ccc2cccc(c2n1)OCCCCC(C)C 74a056d8218c379c3e3ca49bff8bdf4a [1,0,0,0,0,1|2,0,0]=4 177 B22R2.34900464 CC(=O)c1ccc2c(cccc2c1)NCC(O)CC(C)C e09ed0619832e963cfd8c4f127e03f9e [0,0,0,0,1,1|2,0,0]=4 178 B22R2.126259828 CC(=O)c1ccc2cccc(c2n1)NCC(O)CC(C)C 720e08832f27d434091c1b0639e13a14 [0,0,0,0,1,1|2,0,0]=4 179 B24R2.91687963 CC(=O)c1cc2cccc(c2o1)OCCC(C)CCCC(C)C 297e43f070ef142fab55234bd4424270 [0,0,0,0,0,2|2,0,0]=4