0 B22R2.5849837 CC(C)(C)COC(=O)COc1cccc2c1CCCC2=O 8f06fd712b32e6722b422aeebd16b8ef [0,0,0,0,0,0|2,0,2]=4 1 B21R2.4389558 CC(C)CCC(C)COc1cccc2c1CCCC2=O fbcabdfd73291789c05ec5fcd4cfa712 [1,0,0,0,0,0|2,0,0]=3 2 B21R2.4389558 CC(C)CCC(C)COc1cccc2c1CCNC2=O d8d72d861203eaa13c69315bb828da8a [1,0,0,0,0,0|3,0,0]=4 3 B21R2.4389558 CC(C)CCC(C)COc1cccc2c1OCCC2=O 6140e7ea5c97f9375e86ad033595b3c8 [1,0,0,0,0,0|3,0,0]=4 4 B21R2.4401242 CC(C)(C)OCCCNc1cccc2c1CCCC2=O 4d5610a74cb2f6118071932e872fa6fe [1,0,0,0,0,0|2,0,0]=3 5 B21R2.4401242 CC(C)(C)OCCCNc1cccc2c1CCNC2=O 25544038b7e6b1d7c124fcb405689bd7 [1,0,0,0,0,0|3,0,0]=4 6 B21R2.4401242 CC(C)(C)OCCCNc1cccc2c1NCCC2=O 67311044d80b1072226f94ec8c55d841 [1,0,0,0,0,0|3,0,0]=4 7 B21R2.4401242 CC(C)(C)SCCCNc1cccc2c1CCNC2=O aa84fce67e6d279766ec4ab195fefefb [1,0,0,0,0,0|3,0,0]=4 8 B21R2.4401242 CC(C)(C)SCCCNc1cccc2c1CCOC2=O b7e9d2978e9c9017cd3f6cbeaae61ad5 [1,0,0,0,0,0|3,0,0]=4 9 B21R2.4401242 CC(C)(C)SCCCNc1cccc2c1OCCC2=O 4651fafb7ab7ff169a2099113e8cd0b0 [1,0,0,0,0,0|3,0,0]=4 10 B21R2.4401242 CC(C)(C)SCCCOc1cccc2c1CCCC2=O b1dfaa01b4b717a4da350b3963f3ea1c [1,0,0,0,0,0|1,0,0]=2 11 B21R2.4401242 CC(C)(C)SCCCOc1cccc2c1CCNC2=O 2b4e3f858af432114210571347c77224 [1,0,0,0,0,0|2,0,0]=3 12 B21R2.4401242 CC(C)(C)SCCCOc1cccc2c1OCCC2=O 08031590c0fa3fc696115e874a990d95 [1,0,0,0,0,0|2,0,0]=3 13 B23R3.130127174 CC(C)(C)N1CC(C1)CNc2cccc3c2NCCC3=O 3993283dc8677353deaf1e6093983656 [0,0,0,1,0,0|3,0,0]=4 14 B21R2.4401253 CC(C)(C)NC(=O)COc1cccc2c1CCCC2=O 8487db12d42cb9998ec58178dfce52ca [0,0,0,0,1,0|0,0,2]=3 15 B21R2.4401253 CC(C)(C)NC(=O)COc1cccc2c1CCNC2=O ef113a9fa5ed0bf0df539ebce3bbbc29 [0,0,0,0,1,0|1,0,2]=4 16 B21R2.4401253 CC(C)(C)NC(=O)COc1cccc2c1OCCC2=O 76c08cbb1b417dce680e2a654c3c1031 [0,0,0,0,1,0|1,0,2]=4 17 B21R2.4401253 CC(C)(C)OC(=O)COc1cccc2c1CCCC2=O d3b19c6611f1deb48d27eebff6ba94ea [0,0,0,0,1,0|1,0,2]=4 18 B21R2.4401253 CC(C)(O)CC(O)CNc1cccc2c1CCNC2=O da44e43780fd990e53ad3e4f727d99c4 [0,0,0,0,1,0|3,0,0]=4 19 B21R2.4401253 CC(C)(O)CC(O)CNc1cccc2c1CCOC2=O f0e8eb54247975cbdb25dc17da33dc94 [0,0,0,0,1,0|3,0,0]=4 20 B21R2.4401253 CC(C)(O)CC(O)CNc1cccc2c1OCCC2=O 34d3f22f3044ea36531e0f1e42b3ed21 [0,0,0,0,1,0|3,0,0]=4 21 B21R2.4401253 CC(C)(O)CC(O)COc1cccc2c1CCCC2=O 1fdd302a19056c6d6993447677be221f [0,0,0,0,1,0|1,0,0]=2 22 B21R2.4401253 CC(C)(O)CC(O)COc1cccc2c1CCNC2=O 9583d80b7141b36ab36d6f33acd50dc1 [0,0,0,0,1,0|2,0,0]=3 23 B21R2.4401253 CC(C)(O)CC(O)COc1cccc2c1OCCC2=O f31d8f85154ce791d68d2b7709ba4d2c [0,0,0,0,1,0|2,0,0]=3 24 B20R1.49055 CCCC(=O)c1cccc(c1)NCCCOC(C)(C)C 6b29c33693a387b1ae9a99c51043e626 [1,0,1,0,0,0|2,0,0]=4 25 B20R1.49055 CCNC(=O)c1cccc(c1)OCCCSC(C)(C)C f81cd5b0702d06a01e7e1dc8ff968160 [1,0,1,0,0,0|2,0,0]=4 26 B20R1.49055 CCOC(=O)c1cccc(c1)OCCCSC(C)(C)C 5854b35563ea9172e151702af1a72a08 [1,0,1,0,0,0|2,0,0]=4 27 B20R1.56493 CCC(=O)c1cccc(c1C)NCCCOC(C)(C)C 1e9734095634ceefb9a092d3e80d434c [1,0,1,0,0,0|2,0,0]=4 28 B20R1.56493 CNC(=O)c1cccc(c1C)OCCCSC(C)(C)C aaaa0f51afbb008e2ceeda139e61cb02 [1,0,1,0,0,0|2,0,0]=4 29 B20R1.56493 COC(=O)c1cccc(c1C)OCCCSC(C)(C)C 12edd59672439988808f7bf16b5f493b [1,0,1,0,0,0|2,0,0]=4 30 B20R1.169978 CCc1c(cccc1C(=O)O)OCCCSC(C)(C)C 8bbedec4dd775c709f200de75be9b0d4 [1,0,1,0,0,0|2,0,0]=4 31 B20R1.169978 COc1c(cccc1C(=O)C)OCCCSC(C)(C)C 635259e6dde499064d0c614169659281 [1,0,1,0,0,0|2,0,0]=4 32 B20R2.141383 CC(=O)NCCCOc1cccc2c1CCCC2=O 30775bc2de9a79313780d6de813a4b74 [2,0,0,0,0,0|1,0,1]=4 33 B20R2.141383 CC(C)CCCCOc1cccc2c1CCCC2=O ea07c4185eb3bc8c2e8147123bdb5696 [2,0,0,0,0,0|1,0,0]=3 34 B20R2.141383 CC(C)CCCCOc1cccc2c1CCNC2=O 9a4cfbe6724eb0b91a63d4376745c7d3 [2,0,0,0,0,0|2,0,0]=4 35 B20R2.141383 CC(C)CCCCOc1cccc2c1OCCC2=O ff63fdd1336e57ffc06abb445f6acaa0 [2,0,0,0,0,0|2,0,0]=4 36 B20R2.141383 CC(C)COCCOc1cccc2c1CCCC2=O 35ec08b08455305b255b5d2709434d24 [2,0,0,0,0,0|2,0,0]=4 37 B20R2.141383 CC(C)OCCCNc1cccc2c1CCCC2=O b7cebcf7b1a56f7c51241367efdfc952 [2,0,0,0,0,0|2,0,0]=4 38 B20R2.141383 CC(C)SCCCNc1cccc2c1CCCC2=O 5b374d678f5d4840bafb18b674d70227 [2,0,0,0,0,0|2,0,0]=4 39 B20R2.141383 CN(C)CCCCOc1cccc2c1CCCC2=O c83327a4516bdaf6d5fd53f8338ed360 [2,0,0,0,0,0|2,0,0]=4 40 B20R2.5183951 CC(C)(C)SCCCOc1cccc2c1CCCC2 d0ed3cf75d630bd8c15e35c457fc449a [2,0,0,0,0,0|1,0,1]=4 41 B22R2.5850043 Cc1ccc2c(c1OCC(C)CCC(C)C)CCCC2=O 1c6005085b7f5c389448261fcf5ccf81 [1,1,0,0,0,0|2,0,0]=4 42 B22R2.5850150 CC(C)CCC(C)COc1cc(cc2c1CCCC2=O)F 04c5d4e0d7ff5354b86e2d7209a09c35 [1,1,0,0,0,0|2,0,0]=4 43 B22R2.5848572 Cc1ccc2c(c1OCCCSC(C)(C)C)CCCC2=O 19962613cdde93d1bd3c176805c3bf75 [1,1,0,0,0,0|1,0,0]=3 44 B22R2.5849831 CC(C)(C)C(=O)SCCOc1cccc2c1CCCC2=O 5dc855d9770aaa77bed9749a32b243a5 [1,1,0,0,0,0|2,0,0]=4 45 B22R2.5849835 CC(C)(C)NC(=O)CCOc1cccc2c1CCCC2=O 991af89173e6cde181bf65f828eb2f7c [1,1,0,0,0,0|0,0,1]=3 46 B22R2.5849835 CC(C)(C)NC(=O)CCOc1cccc2c1OCCC2=O 3ac28ae33fb7410a2dd55d135c66e059 [1,1,0,0,0,0|1,0,1]=4 47 B22R2.5849835 CC(C)(C)OC(=O)CCOc1cccc2c1CCCC2=O 9266a2331d4a8107d4bd71954edb9a21 [1,1,0,0,0,0|1,0,1]=4 48 B22R2.5850149 CC(C)(C)SCCCOc1cc(cc2c1CCCC2=O)F c69bcf95ff5ce127af35a7e4627609bb [1,1,0,0,0,0|1,0,0]=3 49 B22R2.5850500 CC(C)(C)OCCCNc1ccc(c2c1CCCC2=O)F 27bf759c43367f9ffb3d542dce2380a5 [1,1,0,0,0,0|2,0,0]=4 50 B22R2.5849833 CC(Oc1cccc2c1CCCC2=O)C(=O)NC(C)(C)C 30bd06ed34d02407cdb8f224466204ea [0,1,0,0,1,0|1,0,1]=4 51 B22R2.5759659 CCC(C)(C)NC(=O)COc1cccc2c1CCCC2=O 616bec3cb2fd982589ee87b682478ece [0,1,0,0,1,0|0,0,2]=4 52 B22R2.5850044 Cc1ccc2c(c1OCC(=O)NC(C)(C)C)CCCC2=O 4e1677eafeca8074e9d5ca5e8d2cb03e [0,1,0,0,1,0|0,0,2]=4 53 B22R2.5850044 Cc1ccc2c(c1OCC(O)CC(C)(C)O)CCCC2=O ed7a2b67852a58da0e12c29aa066e3cd [0,1,0,0,1,0|1,0,0]=3 54 B22R2.5850151 CC(C)(O)CC(O)COc1cc(cc2c1CCCC2=O)F f369fb80d27a3385ab708cbfc3d33c3d [0,1,0,0,1,0|1,0,0]=3 55 B22R2.7433181 CCCC(=O)c1cccc(c1)NCC2CN(C2)C(C)(C)C bd9177a991d1c0c9105c7c899715d4c0 [0,0,1,1,0,0|2,0,0]=4 56 B22R3.46700 CC1CCC(CC1)COc2cccc3c2CCCC3=O afa8fcf1215d366c4f4c98e251443438 [1,0,0,1,0,0|2,0,0]=4 57 B22R3.46700 O=C1COC(CN1)COc2cccc3c2CCCC3=O 7a6790219fe832765b5d988686ab14b6 [1,0,0,1,0,0|1,0,1]=4 58 B22R3.10328303 CC1(CC(CCO1)Nc2cccc3c2CCCC3=O)C 7d624809b212905e24a82a3974eba92b [1,0,0,1,0,0|2,0,0]=4 59 B22R3.10328303 CC1(CC(CCO1)Oc2cccc3c2CCCC3=O)C c8187957ea9033b6d10e25795cdaa697 [1,0,0,1,0,0|1,0,0]=3 60 B22R3.10328303 CC1(CC(CCO1)Oc2cccc3c2CCNC3=O)C e31791c90449d5b7d877da3bc3a4989a [1,0,0,1,0,0|2,0,0]=4 61 B22R3.10328303 CC1(CC(CCO1)Oc2cccc3c2OCCC3=O)C 13322ee1267bcbc65c12c60a13eb0726 [1,0,0,1,0,0|2,0,0]=4 62 B22R3.10328303 CC1(CCCC(C1)Nc2cccc3c2CCCC3=O)C b798a1ea684f6b96f8091cfaa01ca187 [1,0,0,1,0,0|2,0,0]=4 63 B22R3.10328303 CC1(CCC[C@@H](C1)Nc2cccc3c2CCCC3=O)C 6879910785bf7e1a1662b2cb117ebcf3 [1,0,0,1,0,0|2,0,0]=4 64 B22R3.10328303 CC1(CCC[C@H](C1)Nc2cccc3c2CCCC3=O)C 8067431b89be44a965659e43f8718a35 [1,0,0,1,0,0|2,0,0]=4 65 B22R3.10328303 CC1(C[C@@H](CCO1)Nc2cccc3c2CCCC3=O)C 025bfadc6e417565bbcf8dfd06d77b9f [1,0,0,1,0,0|2,0,0]=4 66 B22R3.10328303 CC1(C[C@H](CCO1)Nc2cccc3c2CCCC3=O)C 873ed5303bfff1e646d059c2fdccb320 [1,0,0,1,0,0|2,0,0]=4 67 B22R3.71815 CC(C)(C)N1CC(C1)CNc2cccc3c2CCC3=O 21a6e52bff18d9a6098fd50dd9d98c42 [0,0,0,1,1,0|2,0,0]=4 68 B20R1.49085 CCNC(=O)c1cccc(c1)OCC(O)CC(C)(C)O e387a258b5bd68db6d75909671e834f4 [0,0,1,0,1,0|2,0,0]=4 69 B20R1.49085 CCOC(=O)c1cccc(c1)OCC(O)CC(C)(C)O 6482c4f65526b6d74e4917618659304c [0,0,1,0,1,0|2,0,0]=4 70 B20R1.56519 CNC(=O)c1cccc(c1C)OCC(O)CC(C)(C)O 5b48d0c4f548618e68178d02e208dee6 [0,0,1,0,1,0|2,0,0]=4 71 B20R1.56519 COC(=O)c1cccc(c1C)OCC(O)CC(C)(C)O 65938ee4d3ff28be9742bd121c69c8aa [0,0,1,0,1,0|2,0,0]=4 72 B20R1.169947 CCc1c(cccc1C(=O)O)OCC(O)CC(C)(C)O 01368d7c5193e2fdd29ec2301e189d4a [0,0,1,0,1,0|2,0,0]=4 73 B20R1.169947 COc1c(cccc1C(=O)C)OCC(O)CC(C)(C)O c25d76e9f045a733d088501274ac4e1a [0,0,1,0,1,0|2,0,0]=4 74 B20R2.2606 CC(C)CCC(C)COc1cccc2c1CCC2=O 72745774d1f9db6a7cfdf0ac6d9a3173 [1,0,0,0,1,0|2,0,0]=4 75 B20R2.2606 CC(C)OCC(O)CNc1cccc2c1CCC2=O 515ff2e46b179b43e12d744db81b58be [1,0,0,0,1,0|2,0,0]=4 76 B20R2.141384 CC(C)CCC(C)Oc1cccc2c1CCCC2=O aa62fbde0ec143cd6aa9c38ad2e375ea [1,0,0,0,1,0|2,0,0]=4 77 B20R2.507147 CC(C)CC(=O)COc1cccc2c1CCCC2=O d62ac097fe155e60bd46fe149f8a41ea [1,0,0,0,1,0|0,0,2]=4 78 B20R2.507147 CC(C)CC(O)CNc1cccc2c1NCCC2=O a04f4a5bb8e7b09c393b49fe7e8b6f41 [1,0,0,0,1,0|2,0,0]=4 79 B20R2.507147 CC(C)NC(=O)COc1cccc2c1CCCC2=O 8d8f5aedd1098a0524aab67e2b3335be [1,0,0,0,1,0|0,0,2]=4 80 B20R2.507147 CC(COc1cccc2c1CCCC2=O)CN(C)C 7c5b2b7811031495abac6084efea12bf [1,0,0,0,1,0|2,0,0]=4 81 B20R2.2602 CC(C)(C)OCCCNc1cccc2c1CCC2=O 44876cca2ac67ead3578132ac82d02f0 [1,0,0,0,1,0|2,0,0]=4 82 B20R2.2602 CC(C)(C)SCCCNc1cccc2c1CCC2=O a4acfa2cee6a922a3da6d1f2360fed47 [1,0,0,0,1,0|2,0,0]=4 83 B20R2.2602 CC(C)(C)SCCCOc1cccc2c1CCC2=O 8574b7a19d42ae948ce78f70fddb248c [1,0,0,0,1,0|1,0,0]=3 84 B20R2.2602 CC(C)(C)SCCCOc1cccc2c1CNC2=O 555dd1619453d548f330c81934ed93d0 [1,0,0,0,1,0|2,0,0]=4 85 B20R2.2602 CC(C)(C)SCCCOc1cccc2c1COC2=O 62067ef8f48b3379968e793ad648dffb [1,0,0,0,1,0|2,0,0]=4 86 B20R2.507150 CC(C)(C)C#CCOc1cccc2c1CCCC2=O 21c5c7142d6af74af67c7835faa4b631 [1,0,0,0,1,0|0,0,2]=4 87 B20R2.507150 CC(C)(C)CCCNc1cccc2c1CCCC2=O 43b7187481a32ded5f6bc0877308d9a4 [1,0,0,0,1,0|1,0,0]=3 88 B20R2.507150 CC(C)(C)CCCNc1cccc2c1CCNC2=O 26ef52a1b3e61df63ffe45533833d3ed [1,0,0,0,1,0|2,0,0]=4 89 B20R2.507150 CC(C)(C)CCCNc1cccc2c1NCCC2=O bd97a029ac1e2f5d650f40bb5fd093cf [1,0,0,0,1,0|2,0,0]=4 90 B20R2.507150 CC(C)(C)OCCNc1cccc2c1CCCC2=O a405c1f7322048b08ae9af539b579929 [1,0,0,0,1,0|2,0,0]=4 91 B20R2.507150 CC(C)(C)OCCOc1cccc2c1CCCC2=O f0648afc427d49aabe2b197093145a99 [1,0,0,0,1,0|1,0,0]=3 92 B20R2.507150 CC(C)(C)OCCOc1cccc2c1CCNC2=O 3930d63c905da78102ff35606708c675 [1,0,0,0,1,0|2,0,0]=4 93 B20R2.507150 CC(C)(C)OCCOc1cccc2c1OCCC2=O 2f4f51369e32d2602f39c68756d77492 [1,0,0,0,1,0|2,0,0]=4 94 B20R2.507150 CC(C)(C)SCCOc1cccc2c1CCCC2=O c4fc4187dadc9ae46c5aa6e7067a144a [1,0,0,0,1,0|1,0,0]=3 95 B20R2.507150 CC(C)(C)SCCOc1cccc2c1CCNC2=O d88fb26d8e38d1d52e2e80f403dabf7f [1,0,0,0,1,0|2,0,0]=4 96 B20R2.507150 CC(C)(C)SCCOc1cccc2c1OCCC2=O a405956aeae7ec92d9d49a41de44c8db [1,0,0,0,1,0|2,0,0]=4 97 B20R2.507150 CC(C)(O)CCCNc1cccc2c1CCCC2=O e5d8bdb1b95ac86ea5eea268f19250b6 [1,0,0,0,1,0|2,0,0]=4 98 B20R2.507150 CC(C)(O)CCCOc1cccc2c1CCCC2=O a7e165fa741e6646325e9314f9fef899 [1,0,0,0,1,0|1,0,0]=3 99 B20R2.507150 CC(C)(O)CCCOc1cccc2c1CCNC2=O 66d61a0f298a13372cf96a7e7591849e [1,0,0,0,1,0|2,0,0]=4 100 B20R2.507150 CC(C)(O)CCCOc1cccc2c1OCCC2=O 372f1b6d37b01fc1f7d8fdcc60b2e9a6 [1,0,0,0,1,0|2,0,0]=4 101 B20R2.507150 CC(F)(F)CCCOc1cccc2c1CCCC2=O bc84c4ff346b71643273d6be6164b0d0 [1,0,0,0,1,0|2,0,0]=4 102 B20R2.778678 CC(C)(O)CC(O)COc1cccc2c1CCCC2 9192ec3b4be4b7a98b55ffed782e887c [1,0,0,0,1,0|1,0,1]=4 103 B20R2.2630 CC(C)(C)NC(=O)COc1cccc2c1CCC2=O dc30cabef1d42122f14a2f447ebc2695 [0,0,0,0,2,0|0,0,2]=4 104 B20R2.2630 CC(C)(O)CC(O)CNc1cccc2c1CCC2=O fe90d60a8f4ec08084f0dbe000c5df30 [0,0,0,0,2,0|2,0,0]=4 105 B20R2.2630 CC(C)(O)CC(O)COc1cccc2c1CCC2=O 25daa7c8d81c05698c98e7389ac124a1 [0,0,0,0,2,0|1,0,0]=3 106 B20R2.2630 CC(C)(O)CC(O)COc1cccc2c1CNC2=O 169c056735bd2340f806139cf037e61a [0,0,0,0,2,0|2,0,0]=4 107 B20R2.2630 CC(C)(O)CC(O)COc1cccc2c1COC2=O 34243748f918bc7a6bd9a09c3c2fc091 [0,0,0,0,2,0|2,0,0]=4 108 B20R2.515581 CC(C)(C)C(=O)COc1cccc2c1CCCC2=O 709d53e43fc044576a00eb143d167981 [0,0,0,0,2,0|0,0,2]=4 109 B20R2.515581 CC(C)(C)C(O)CNc1cccc2c1NCCC2=O deeb88f4bb0444ace14c1b78c6aa94aa [0,0,0,0,2,0|2,0,0]=4 110 B20R2.515581 CC(C)(O)C(O)CNc1cccc2c1CCCC2=O da717d78e0d7c928bb91b17c0d39518a [0,0,0,0,2,0|2,0,0]=4 111 B22R2.5849808 CC(C)(O)CCCCCOc1cccc2c1CCCC2=O 2d8ccc1d80539335109033ac546210d8 [1,0,0,0,0,1|2,0,0]=4 112 B22R2.6068083 CC(C)(C)OCCCNc1cccc2c1OCCCC2=O 34fb89344a9d84de6913783bf01568d4 [1,0,0,0,0,1|2,0,0]=4 113 B22R2.6068083 CC(C)(C)SCCCNc1cccc2c1CCCCC2=O 7b48b096239313a9db0346b3ac0bd29a [1,0,0,0,0,1|2,0,0]=4 114 B22R2.6068094 CC(C)(O)CC(O)CNc1cccc2c1CCCCC2=O 736b94cd460224a593a16e9f5cc431a1 [0,0,0,0,1,1|2,0,0]=4