0 B20R0.32083 C#CCCC(=O)CCOCCCCCCCCCCCC b4033fd2fb5e94ce0e0f216733428e82 [0,0,0,0,0,0|3,0,1]=4 1 B20R0.32083 C#CCCC(=O)NCCCCCCCCCCCCCC 2803305b45d27c831f6283b7e20b1e3e [0,0,0,0,0,0|3,0,1]=4 2 B20R0.32083 C#CCCCCCCCCCCCCCC(=O)NCC#C b06f7fc42978c6cce29217dfbc8263d0 [0,0,0,0,0,0|1,0,3]=4 3 B20R0.32083 C#CCCCCCCCCCCCCCC(=O)NCC#N 39abee609dfe1cf50e42f4718933525a [0,0,0,0,0,0|1,0,3]=4 4 B20R0.32083 C#CCCCCCCCCCCCCCC(=O)NCCBr 1e29edc5724e7765a91e46eb6099328c [0,0,0,0,0,0|1,0,2]=3 5 B20R0.32083 C#CCCCCCCCCCCCCCC(=O)NCCC d1be15ac7f26ce9168de1511cf6115e2 [0,0,0,0,0,0|1,0,2]=3 6 B20R0.32083 C#CCCCCCCCCCCCCCC(=O)NCCF 9af1e0cbb201cf3db6ff41852c3c5540 [0,0,0,0,0,0|1,0,2]=3 7 B20R0.32083 C#CCCCCCCCCCCCCCC(=O)NCCI 6263ac3aaeb2eea4a0a7664ca33ba742 [0,0,0,0,0,0|1,0,2]=3 8 B20R0.32083 C#CCCCCCCCCCCCCCC(=O)NCCO e68486b3ab68d65821df928c2e70a19e [0,0,0,0,0,0|0,0,2]=2 9 B20R0.32083 C#CCCCCCCCCCCCCCC(=O)NCCS cc92bc7a12eff933ed96c5dd70e323d8 [0,0,0,0,0,0|0,1,2]=3 10 B20R0.32083 C#CCCCCCCCCCCCOCC(=O)NCCC da46f99ea12f482b5cd3384b6b1b5cf7 [0,0,0,0,0,0|2,0,2]=4 11 B20R0.32083 C#CCCCCCCCCCOCCCC(=O)NCCC 5618863dc39817e22e3bba71cac19ec0 [0,0,0,0,0,0|2,0,2]=4 12 B20R0.32083 C#CCNC(=O)/C=C/CCCCCCCCCCCCC 7b62387ce3b856fbc1291c9a6a50a751 [0,0,0,0,0,0|1,0,3]=4 13 B20R0.32083 C#CCNC(=O)C/C=C/CCCCCCCCCCCC 084281c32a2e460c811e16490adfe3db [0,0,0,0,0,0|1,0,3]=4 14 B20R0.32083 C#CCNC(=O)CCCC/C=C\CCCCCCCCC f64f4fda0fd8f749ca6b57a1d8195684 [0,0,0,0,0,0|1,0,3]=4 15 B20R0.32083 C#CCNC(=O)CCCCCCC/C=C/CCCCCC 7ddc33f06b408950818949d8745ee354 [0,0,0,0,0,0|1,0,3]=4 16 B20R0.32083 C#CCNC(=O)CCCCCCC/C=C\CCCCCC 53736c96099c8aa6b27dfda3989f75de [0,0,0,0,0,0|1,0,3]=4 17 B20R0.32083 C#CCNC(=O)CCCCCCCC=CCCCCCC 8bce40f929f0258ff91fc615b957b2a3 [0,0,0,0,0,0|1,0,3]=4 18 B20R0.32083 C#CCNC(=O)CCCCCCCCCCCCCC=C 5d06afd68c101d29bf714d98bada3bb3 [0,0,0,0,0,0|1,0,3]=4 19 B20R0.32083 C#CCNC(=O)CCCCCCCCCCCCCC=O 093c1ec8fed36025b18983bd97a57ed7 [0,0,0,0,0,0|2,0,2]=4 20 B20R0.32083 C#CCNC(=O)CCCCCCCCCCCCCCC af5377e6027e7a75c50d89bb3f5026e7 [0,0,0,0,0,0|1,0,1]=2 21 B20R0.32083 C#CCNC(=O)CCCCCCCCCCCCCCO 93179829b1c61550091dd19e7448955a [0,0,0,0,0,0|2,0,1]=3 22 B20R0.32083 C#CCNC(=O)CCSCCCCCCCCCCCC 52426522a1be56af55f6412a33a93060 [0,0,0,0,0,0|2,0,1]=3 23 B20R0.32083 C#CCNC(=O)CNCCCCCCCCCCCCC 465c5b3eab36e536dca9437d13b701dd [0,0,0,0,0,0|2,0,1]=3 24 B20R0.32083 C#CCNC(=O)CNCCCCCCCCCCCCO b979111585e0d485c3398a88186c1b65 [0,0,0,0,0,0|3,0,1]=4 25 B20R0.32083 C#CCNC(=O)COCCCCCCCCCCCCC 04f21a56ffac1030207258404ada0a18 [0,0,0,0,0,0|2,0,1]=3 26 B20R0.32083 C#CCNC(=O)COCCOCCCCCCCCCC 93974b62b99d4f5280e693ef3aed868b [0,0,0,0,0,0|3,0,1]=4 27 B20R0.32083 C#CCNC(=O)COCCSCCCCCCCCCC 04943a064b4b643543d7f6ff9035a3ac [0,0,0,0,0,0|3,0,1]=4 28 B20R0.32083 C#CCNC(=O)NCCCCCCCCCCCCCC b02e63c5ed7ac65a843ab08002a397f0 [0,0,0,0,0,0|2,0,1]=3 29 B20R0.32083 C#CCNC(=O)NCCCCCCCCCCCCCO 59a6a65b914a8b9806f9ae9f9eac6ac0 [0,0,0,0,0,0|3,0,1]=4 30 B20R0.32083 C#CCNC(=S)NCCCCCCCCCCCCCC e9a0ee23822743c86b12b0a39ac65771 [0,0,0,0,0,0|2,1,1]=4 31 B20R0.32083 C=CCCC(=O)NCCCCCCCCCCCCCC 08c7c00fbc8733acaaf0049a3159d814 [0,0,0,0,0,0|3,0,1]=4 32 B20R0.32083 C=CCCCCCCCCCCCCCC(=O)NCC#N 8bc908b34dfd93897d1ecb606f11992f [0,0,0,0,0,0|1,0,3]=4 33 B20R0.32083 C=CCCCCCCCCCCCCCC(=O)NCCBr 669b6859e934e469b86749d54acead26 [0,0,0,0,0,0|1,0,2]=3 34 B20R0.32083 C=CCCCCCCCCCCCCCC(=O)NCCC 2fb7ccef241aab6e06646c9b909284d6 [0,0,0,0,0,0|1,0,2]=3 35 B20R0.32083 C=CCCCCCCCCCCCCCC(=O)NCCF 17041ebbc0a77bcaada61d5913a67102 [0,0,0,0,0,0|1,0,2]=3 36 B20R0.32083 C=CCCCCCCCCCCCCCC(=O)NCCI 01e41dfd228a023c9268f46cd5bf42e4 [0,0,0,0,0,0|1,0,2]=3 37 B20R0.32083 C=CCCCCCCCCCCCCCC(=O)NCCO 669df05a09312db19b5fbf9c40f65ed5 [0,0,0,0,0,0|0,0,2]=2 38 B20R0.32083 C=CCCCCCCCCCCCCCC(=O)NCCS 7ad32f2019c91eaedd7eadf86bf44f9a [0,0,0,0,0,0|0,1,2]=3 39 B20R0.32083 C=CCCCCCCCCCCCNCC(=O)NCCC 211dd9b05667cc50582f9f9766c63734 [0,0,0,0,0,0|2,0,2]=4 40 B20R0.32083 C=CCCCCCCCCCCCNCC(=O)NCCO 7ed12e18f1784382b7c3274276ca69cd [0,0,0,0,0,0|1,0,2]=3 41 B20R0.32083 C=CCCCCCCCCCCCOCC(=O)NCCC 2ba09ab45809f61484c4734f012644c0 [0,0,0,0,0,0|2,0,2]=4 42 B20R0.32083 C=CCCCCCCCCCNCCCC(=O)NCCC 94255e3f067048d181a6fea8a78207e7 [0,0,0,0,0,0|2,0,2]=4 43 B20R0.32083 C=CCCCCCCCCCOCCCC(=O)NCCC e11b3137cde3f0888cd0f4015b74ee06 [0,0,0,0,0,0|2,0,2]=4 44 B20R0.32083 C=CCNC(=O)CCNCCCCCCCCCCCC 972a8072338049a8d5d414fc9a6c946c [0,0,0,0,0,0|2,0,1]=3 45 B20R0.32083 C=CCNC(=O)CCNCCCCCCCCCCCO 0d8e16c549e65f6ef66ca1cc46e90e15 [0,0,0,0,0,0|3,0,1]=4 46 B20R0.32083 C=CCNC(=O)CCNCCCOCCCCCCCC 061bd41ccd710f15fcdd4a57533fc975 [0,0,0,0,0,0|3,0,1]=4 47 B20R0.32083 C=CCNC(=O)CCOCCCCCCCCCCCC 9a6fe1f1c8cc4346434d6a09401444b2 [0,0,0,0,0,0|2,0,1]=3 48 B20R0.32083 C=CCNC(=O)CCOCCCCCCCCCCCS 014998ffe5af11debaadc0b03167117c [0,0,0,0,0,0|3,0,1]=4 49 B20R0.32083 C=CCNC(=O)CCOCCCCCCCCCOCC 50e06d9ee4f02f1fc3b3c3699c5f7fad [0,0,0,0,0,0|3,0,1]=4 50 B20R0.32083 C=CCNC(=O)CCOCCCCOCCCCCCC d6ee1afc8a5fa0a7f90049ceaab2f72e [0,0,0,0,0,0|3,0,1]=4 51 B20R0.32083 C=CCNC(=O)CNCCCCCCCCCCCCC a3ca9e0b578a808681a404f02b499796 [0,0,0,0,0,0|2,0,1]=3 52 B20R0.32083 C=CCNC(=O)CNCCCCCCCCCCCCO 9cf0b7d05fde656a7c03ef400a5d7a5a [0,0,0,0,0,0|3,0,1]=4 53 B20R0.32083 C=CCNC(=O)COCCCCCCCCCCCCC 6b46466cf53e18d790c506a5c7e8a5d2 [0,0,0,0,0,0|2,0,1]=3 54 B20R0.32083 C=CCNC(=O)COCCCCCCCCCCCCS d08ba8abfc81329c8ba5a5996a37b39e [0,0,0,0,0,0|3,0,1]=4 55 B20R0.32083 C=CCNC(=O)COCCOCCCCCCCCCC 81bf2ec94214bf7bcaf9014a4d18514b [0,0,0,0,0,0|3,0,1]=4 56 B20R0.32083 C=CCNC(=O)COCCSCCCCCCCCCC 52332dc7b87701390123f4f64907703a [0,0,0,0,0,0|3,0,1]=4 57 B20R0.32083 C=CCOC(=O)CCCCOCCCCCCCCCC 7ebb086e24f5b6d26dc1daad960f6135 [0,0,0,0,0,0|3,0,1]=4 58 B20R0.32083 C=CCOC(=O)CCCNCCCCCCCCCCC f21ad75925fd1a96a17e07440598842a [0,0,0,0,0,0|3,0,1]=4 59 B20R0.32083 C=CCOC(=O)CCCOCCCCCCCCCCC ff2bca3cb87e38308c3933698c3b4e8d [0,0,0,0,0,0|3,0,1]=4 60 B20R0.32083 C=CCOC(=O)CNCCCCCCCCCCCCC 57df0e9d57e617966b5f45ebf756c22b [0,0,0,0,0,0|3,0,1]=4 61 B20R0.32083 C=CCOC(=O)COCCCCCCCCCCCCC 66ea6a7020eb49e5fb9bd5f47b4a4bab [0,0,0,0,0,0|3,0,1]=4 62 B20R0.32083 CC/C=C/C(=O)NCCCCCCCCCCCCCC a82f87485b11bc5972eb5f36bed4890c [0,0,0,0,0,0|3,0,1]=4 63 B20R0.32083 CC/C=C\C(=O)NCCCCCCCCCCCCCC 0fb11eeacbc91baeaf49e60d49bccac9 [0,0,0,0,0,0|3,0,1]=4 64 B20R0.32083 CCC#CC(=O)NCCCCCCCCCCCCCC 36ac3090485c7b23042df5605e984fa5 [0,0,0,0,0,0|3,0,1]=4 65 B20R0.32083 CCC=CC(=O)NCCCCCCCCCCCCCC 3474ae90a94c2e40363a515606160e12 [0,0,0,0,0,0|3,0,1]=4 66 B20R0.32083 CCCCC(=O)NCCCCCCCCCCCCCO a9001132b965d1cbe6ef69eae296d305 [0,0,0,0,0,0|4,0,0]=4 67 B20R0.32083 CCCCCC/C=C/CCCCCCCC(=O)NCC#N 7f32f39dd8e8eea2c061aab1a3fe62b2 [0,0,0,0,0,0|1,0,3]=4 68 B20R0.32083 CCCCCC/C=C/CCCCCCCC(=O)NCCBr 9b9ad8650d049512b02a8aa1dd981fea [0,0,0,0,0,0|1,0,2]=3 69 B20R0.32083 CCCCCC/C=C/CCCCCCCC(=O)NCCC d06115906cf4a93bc8c69b93c2b9d57d [0,0,0,0,0,0|1,0,2]=3 70 B20R0.32083 CCCCCC/C=C/CCCCCCCC(=O)NCCF 03de439dde808b5d4314215533bb21c7 [0,0,0,0,0,0|1,0,2]=3 71 B20R0.32083 CCCCCC/C=C/CCCCCCCC(=O)NCCI 542cfed6125d36de2ac64009d9501417 [0,0,0,0,0,0|1,0,2]=3 72 B20R0.32083 CCCCCC/C=C/CCCCCCCC(=O)NCCO d2d5d3f249636f1c5cb46cdbc47350c8 [0,0,0,0,0,0|0,0,2]=2 73 B20R0.32083 CCCCCC/C=C/CCCCCCCC(=O)NCCS b31a24b2b9e590e5c14225d15a5e92e7 [0,0,0,0,0,0|0,1,2]=3 74 B20R0.32083 CCCCCC/C=C\CCCCCCCC(=O)NCC#N 3c4f4036449111f04ce64950b3c2baef [0,0,0,0,0,0|1,0,3]=4 75 B20R0.32083 CCCCCC/C=C\CCCCCCCC(=O)NCCBr 1a88d3b9ce77abfe1a7d8e986109c10d [0,0,0,0,0,0|1,0,2]=3 76 B20R0.32083 CCCCCC/C=C\CCCCCCCC(=O)NCCC 011fd840cfe4698a441b862994af3d3b [0,0,0,0,0,0|1,0,2]=3 77 B20R0.32083 CCCCCC/C=C\CCCCCCCC(=O)NCCF 6d89f122d773b6b0cf2fa0992e76dc29 [0,0,0,0,0,0|1,0,2]=3 78 B20R0.32083 CCCCCC/C=C\CCCCCCCC(=O)NCCI 1c20da83ac25b1e2c76d2afcf53747d2 [0,0,0,0,0,0|1,0,2]=3 79 B20R0.32083 CCCCCC/C=C\CCCCCCCC(=O)NCCO e2edd0375f2ccab7caab7d9f18aec1c6 [0,0,0,0,0,0|0,0,2]=2 80 B20R0.32083 CCCCCC/C=C\CCCCCCCC(=O)NCCS 74dd70019c9ed86d3bb2841d4796f115 [0,0,0,0,0,0|0,1,2]=3 81 B20R0.32083 CCCCCCC=CCCCCCCCC(=O)NCC#N 3209606f4fc081a63337964b4f867e46 [0,0,0,0,0,0|1,0,3]=4 82 B20R0.32083 CCCCCCC=CCCCCCCCC(=O)NCCBr 007ecd8e168624e8a4d144a6433e0d7a [0,0,0,0,0,0|1,0,2]=3 83 B20R0.32083 CCCCCCC=CCCCCCCCC(=O)NCCC 64999f23e116bc7a173ec60500131055 [0,0,0,0,0,0|1,0,2]=3 84 B20R0.32083 CCCCCCC=CCCCCCCCC(=O)NCCF ac795fafc64b39d6a50d0574b6aa948f [0,0,0,0,0,0|1,0,2]=3 85 B20R0.32083 CCCCCCC=CCCCCCCCC(=O)NCCI 05fbcd0b948e0666e0b405d5339b62f1 [0,0,0,0,0,0|1,0,2]=3 86 B20R0.32083 CCCCCCC=CCCCCCCCC(=O)NCCO d5a09fb3466cdce84f0f0fd46262c35d [0,0,0,0,0,0|0,0,2]=2 87 B20R0.32083 CCCCCCC=CCCCCCCCC(=O)NCCS 7aebc149d863c71b8e45729b6e2f0e78 [0,0,0,0,0,0|0,1,2]=3 88 B20R0.32083 CCCCCCCC/C=C/COCCCC(=O)NCCC b3d033af18051620f92f8a5ecc8b154e [0,0,0,0,0,0|2,0,2]=4 89 B20R0.32083 CCCCCCCCC/C=C\CCCCC(=O)NCC#N db5d19894f863690507c458ba83b5f6e [0,0,0,0,0,0|1,0,3]=4 90 B20R0.32083 CCCCCCCCC/C=C\CCCCC(=O)NCCBr 59f8988b937966541c915fe3df291bae [0,0,0,0,0,0|1,0,2]=3 91 B20R0.32083 CCCCCCCCC/C=C\CCCCC(=O)NCCC 7969ea8a91aa3bdc256e7f88e949b272 [0,0,0,0,0,0|1,0,2]=3 92 B20R0.32083 CCCCCCCCC/C=C\CCCCC(=O)NCCF 53721aac8f8ec925f9928cc7897267f6 [0,0,0,0,0,0|1,0,2]=3 93 B20R0.32083 CCCCCCCCC/C=C\CCCCC(=O)NCCI 065d88cbe846b2823897c4f89176076a [0,0,0,0,0,0|1,0,2]=3 94 B20R0.32083 CCCCCCCCC/C=C\CCCCC(=O)NCCO 09545b8b3b2b974e1168bed021801ede [0,0,0,0,0,0|0,0,2]=2 95 B20R0.32083 CCCCCCCCC/C=C\CCCCC(=O)NCCS 0bfd50ab62fe14ca8d7eeabe70340f5d [0,0,0,0,0,0|0,1,2]=3 96 B20R0.32083 CCCCCCCCCC/C=C/COCC(=O)NCCC 85a88757062c11b4a08fdd84667b32be [0,0,0,0,0,0|2,0,2]=4 97 B20R0.32083 CCCCCCCCCCC#CCOCC(=O)NCCC b360c147170c1686cc37f001d2fa2d70 [0,0,0,0,0,0|2,0,2]=4 98 B20R0.32083 CCCCCCCCCCCC/C=C/CC(=O)NCC#N 3669c5cf1f8e1355c4c1801692d9d11a [0,0,0,0,0,0|1,0,3]=4 99 B20R0.32083 CCCCCCCCCCCC/C=C/CC(=O)NCCBr f61e9469588cf25d576d99cb38924703 [0,0,0,0,0,0|1,0,2]=3 100 B20R0.32083 CCCCCCCCCCCC/C=C/CC(=O)NCCC c9d73456940e3510d1bdeaf25e013235 [0,0,0,0,0,0|1,0,2]=3 101 B20R0.32083 CCCCCCCCCCCC/C=C/CC(=O)NCCF 1a190667cda6583e26406bf08672f010 [0,0,0,0,0,0|1,0,2]=3 102 B20R0.32083 CCCCCCCCCCCC/C=C/CC(=O)NCCI 5bfd97f455cf4032c47b5090efbdb7e9 [0,0,0,0,0,0|1,0,2]=3 103 B20R0.32083 CCCCCCCCCCCC/C=C/CC(=O)NCCO a067f47c4d257002c17276a13cf0d512 [0,0,0,0,0,0|0,0,2]=2 104 B20R0.32083 CCCCCCCCCCCC/C=C/CC(=O)NCCS aeb76708e3747232c8d2a26cfa2ff1ee [0,0,0,0,0,0|0,1,2]=3 105 B20R0.32083 CCCCCCCCCCCCC/C=C/C(=O)NCC#N d7f1f143463be59a1abae8c80809fac9 [0,0,0,0,0,0|1,0,3]=4 106 B20R0.32083 CCCCCCCCCCCCC/C=C/C(=O)NCCBr 1426060f942747007387633ae545ba3a [0,0,0,0,0,0|1,0,2]=3 107 B20R0.32083 CCCCCCCCCCCCC/C=C/C(=O)NCCC 40a840f4f0053a9e5bd3d4ab33fcfc1b [0,0,0,0,0,0|1,0,2]=3 108 B20R0.32083 CCCCCCCCCCCCC/C=C/C(=O)NCCF 342c70ddefa51e5fb9bbc0011ea1736d [0,0,0,0,0,0|1,0,2]=3 109 B20R0.32083 CCCCCCCCCCCCC/C=C/C(=O)NCCI 7a901b6f2331dc58ea111a3d60943167 [0,0,0,0,0,0|1,0,2]=3 110 B20R0.32083 CCCCCCCCCCCCC/C=C/C(=O)NCCO 2346507a3eb59956b94e7e0ead957d96 [0,0,0,0,0,0|0,0,2]=2 111 B20R0.32083 CCCCCCCCCCCCC/C=C/C(=O)NCCS d1c61b75769b8fbec1127ad8237ed269 [0,0,0,0,0,0|0,1,2]=3 112 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCC#N 0ade008e4915d1b81bd723f219de8b61 [0,0,0,0,0,0|1,0,1]=2 113 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCBr 2af55e93750b9f122ff97a46356eecc4 [0,0,0,0,0,0|1,0,0]=1 114 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCC ccce5193e186ca9474ca962701abf1c9 [0,0,0,0,0,0|1,0,0]=1 115 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCF 8ca86251e40c763004cd10a134caf143 [0,0,0,0,0,0|1,0,0]=1 116 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCO b978c0e915748147d65a9ac4f20f90d7 [0,0,0,0,0,0|0,0,0]=0 117 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCS 426679e0630ed2eb03777e72cdc30a41 [0,0,0,0,0,0|0,1,0]=1 118 B20R0.32083 CCCCCCCCCCCCCCCN(C)CCCO 63f163c27bcf99e12b30596c9283d503 [0,0,0,0,0,0|3,0,0]=3 119 B20R0.32083 CCCCCCCCCCCCCCNC(=O)/C=C/CF cbc9e7781836eeda39c2d5535dc9e670 [0,0,0,0,0,0|3,0,1]=4 120 B20R0.32083 CCCCCCCCCCCCCCNC(=O)/C=C/CO 2f2f0018acf08cde4e6981ab982c02fb [0,0,0,0,0,0|2,0,1]=3 121 B20R0.32083 CCCCCCCCCCCCCCNC(=O)C#CCO 0bae9e8f56568104b57cabb9463d95a3 [0,0,0,0,0,0|2,0,1]=3 122 B20R0.32083 CCCCCCCCCCCCCCNC(=O)C=CCO 7c4ba295394063b29ff7236790d8bd5c [0,0,0,0,0,0|2,0,1]=3 123 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CCC#N 84ea8c1d75eaca0c1989bfee031c0a00 [0,0,0,0,0,0|3,0,1]=4 124 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CCC=O 649e98c512e252a87722b7edb0503366 [0,0,0,0,0,0|2,0,2]=4 125 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CCCC 325e726faec137ff07dcbdb2830c4d6f [0,0,0,0,0,0|3,0,0]=3 126 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CCCF 006629bc6cf0f1f9320aa7b0d03c2a67 [0,0,0,0,0,0|3,0,0]=3 127 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CCCS ce2fb2c6abd8ba30dfc57fd90f17046c [0,0,0,0,0,0|2,1,0]=3 128 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CCOC ebe453abfcfcfb98c4a7c2a60379926d [0,0,0,0,0,0|4,0,0]=4 129 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CCSC d3b90783b7d020576c1f394726d5468f [0,0,0,0,0,0|4,0,0]=4 130 B20R0.32083 CCCCCCCCCCCCCCNC(=O)COCC 9017562bad58920c2d8dd3714b2a1320 [0,0,0,0,0,0|4,0,0]=4 131 B20R0.32083 CCCCCCCCCCCCCCNC(=O)CSCC f77f6aee5f23a6559a531b323749f6a5 [0,0,0,0,0,0|4,0,0]=4 132 B20R0.32083 CCCCCCCCCCCCCCNC(=O)NCC#N a15d86ae70dc028ac666afb4ad5b712b [0,0,0,0,0,0|2,0,1]=3 133 B20R0.32083 CCCCCCCCCCCCCCNC(=O)NCCC fe2b0731ba13fc75b985e491fce9abef [0,0,0,0,0,0|2,0,0]=2 134 B20R0.32083 CCCCCCCCCCCCCCNC(=O)NCCF e70cfaeb58fc4773e90f0158028dfff3 [0,0,0,0,0,0|2,0,0]=2 135 B20R0.32083 CCCCCCCCCCCCCCNC(=O)NCCN 8eec42bfd686e782a593a5e2e71c283e [0,0,0,0,0,0|2,0,0]=2 136 B20R0.32083 CCCCCCCCCCCCCCNC(=O)NCCO 8772818f47af4ee5a3e5f53efc2cc2ad [0,0,0,0,0,0|1,0,0]=1 137 B20R0.32083 CCCCCCCCCCCCCCNC(=O)NCCS 6cc8effbba428fc3ed44c2bb238a47b7 [0,0,0,0,0,0|1,1,0]=2 138 B20R0.32083 CCCCCCCCCCCCCCNC(=S)NCC#N dfdf66a37ad16e14b6a4d6e940ca5b26 [0,0,0,0,0,0|2,1,1]=4 139 B20R0.32083 CCCCCCCCCCCCCCNC(=S)NCCC 3f91215a62763cfdd032e9f375b21177 [0,0,0,0,0,0|2,1,0]=3 140 B20R0.32083 CCCCCCCCCCCCCCNC(=S)NCCF f7be2eb75362b9902541d3cb7fac2b70 [0,0,0,0,0,0|2,1,0]=3 141 B20R0.32083 CCCCCCCCCCCCCCNC(=S)NCCN d8b55bd3d619202c5c0ce209063f0610 [0,0,0,0,0,0|2,1,0]=3 142 B20R0.32083 CCCCCCCCCCCCCCNC(=S)NCCO 5af74b39b8184006f84c0b3ca562823f [0,0,0,0,0,0|1,1,0]=2 143 B20R0.32083 CCCCCCCCCCCCCCNC(=S)NCCS a55f54f5bd63739bcf58ae45b5f2470b [0,0,0,0,0,0|1,2,0]=3 144 B20R0.32083 CCCCCCCCCCCCCCNC(C)CCCO 5d820ba493ddffc887f204331cac317b [0,0,0,0,0,0|3,0,1]=4 145 B20R0.32083 CCCCCCCCCCCCCCN[C@H](C)CCCO dca773f5940bab0f9532d3e73dd1e6a2 [0,0,0,0,0,0|3,0,1]=4 146 B20R0.32083 CCCCCCCCCCCCCNCC(=O)CCSC ca5c45b5079ad92e06884b5243215722 [0,0,0,0,0,0|4,0,0]=4 147 B20R0.32083 CCCCCCCCCCCCCNCC(=O)NCC#N e92127a9a17c2c13af87cd41b3e14d87 [0,0,0,0,0,0|2,0,1]=3 148 B20R0.32083 CCCCCCCCCCCCCNCC(=O)NCCC ab87802eb24048310ccb3fe1becbabc8 [0,0,0,0,0,0|2,0,0]=2 149 B20R0.32083 CCCCCCCCCCCCCNCC(=O)NCCO d4e8b7bd47c442e1acf70ff3f429526e [0,0,0,0,0,0|1,0,0]=1 150 B20R0.32083 CCCCCCCCCCCCCNCC(=O)OCCC 13fd19f22f81d7a9ff57d57f96601e38 [0,0,0,0,0,0|3,0,0]=3 151 B20R0.32083 CCCCCCCCCCCCCNC[C@H](C)CCCO fe817bcded56c96c147220dbb93089d9 [0,0,0,0,0,0|3,0,1]=4 152 B20R0.32083 CCCCCCCCCCCCCOCC(=O)CCSC 8de791f0c74d1271a6c2e10d37c9cd30 [0,0,0,0,0,0|4,0,0]=4 153 B20R0.32083 CCCCCCCCCCCCCOCC(=O)NCC#N f0b4bc73d98de4b8796e23f5434ace7c [0,0,0,0,0,0|2,0,1]=3 154 B20R0.32083 CCCCCCCCCCCCCOCC(=O)NCCC b7fca6711d76c152143fd57dc8fc5ffe [0,0,0,0,0,0|2,0,0]=2 155 B20R0.32083 CCCCCCCCCCCCCOCC(=O)OCCC b019f1dc5071d58b47b67c1be4f0e115 [0,0,0,0,0,0|3,0,0]=3 156 B20R0.32083 CCCCCCCCCCCCNCOC(=O)CCCC 752077e47bcefec0a2e040b1a60e482d [0,0,0,0,0,0|4,0,0]=4 157 B20R0.32083 CCCCCCCCCCCCNCOC(=O)OCCC 36bd3023ed9e752a53fbdbc068ed3f65 [0,0,0,0,0,0|4,0,0]=4 158 B20R0.32083 CCCCCCCCCCCCOCCC(=O)OCCC e78edba07ab9b161c85baef06c1c7fed [0,0,0,0,0,0|3,0,0]=3 159 B20R0.32083 CCCCCCCCCCCCOCOC(=O)CCCC 8c26dfbf320ce997cec2b30df0060286 [0,0,0,0,0,0|4,0,0]=4 160 B20R0.32083 CCCCCCCCCCCCOCOC(=O)OCCC 18c4c6aa5baaeff28c2e1154d3861131 [0,0,0,0,0,0|4,0,0]=4 161 B20R0.32083 CCCCCCCCCCCCSCCC(=O)NCC#N 2feb4be5724556dc583db50c15404455 [0,0,0,0,0,0|2,0,1]=3 162 B20R0.32083 CCCCCCCCCCCCSCCC(=O)NCCBr 13e3fafdf41fb0ad2f0dd218185b6f42 [0,0,0,0,0,0|2,0,0]=2 163 B20R0.32083 CCCCCCCCCCCCSCCC(=O)NCCC 788ca4e4d2b976bc83b9d3e84b998e42 [0,0,0,0,0,0|2,0,0]=2 164 B20R0.32083 CCCCCCCCCCCCSCCC(=O)NCCF 90a0a9307c92c3a4be9c8b4377920673 [0,0,0,0,0,0|2,0,0]=2 165 B20R0.32083 CCCCCCCCCCCCSCCC(=O)NCCI dbe90673816819a1900923f5ad93d315 [0,0,0,0,0,0|2,0,0]=2 166 B20R0.32083 CCCCCCCCCCCCSCCC(=O)NCCO 8827e6efc0ef056c5f82cdb3c4a9f80c [0,0,0,0,0,0|1,0,0]=1 167 B20R0.32083 CCCCCCCCCCCCSCCC(=O)NCCS 8ff99c66156036a5a92c3f0ce353ce18 [0,0,0,0,0,0|1,1,0]=2 168 B20R0.32083 CCCCCCCCCCCNCCCC(=O)NCCC ecec9f67d27fdb4262da23acd151010a [0,0,0,0,0,0|2,0,0]=2 169 B20R0.32083 CCCCCCCCCCCOCCCC(=O)NCCC c331dc2f55b73e6efdc784a55384a102 [0,0,0,0,0,0|2,0,0]=2 170 B20R0.32083 CCCCCCCCCCOCCOCC(=O)NCC#N df8725e636105f274ef100e552a80b5d [0,0,0,0,0,0|3,0,1]=4 171 B20R0.32083 CCCCCCCCCCOCCOCC(=O)NCCC ce9656346a64dd50d44db1543b585fa1 [0,0,0,0,0,0|3,0,0]=3 172 B20R0.32083 CCCCCCCCCCOCCOCC(=O)OCCC 493104c1e941f069167fa4c4f6b66e92 [0,0,0,0,0,0|4,0,0]=4 173 B20R0.32083 CCCCCCCCCCSCCOCC(=O)NCC#N f38e670e7f12962f2f9813828c953b1f [0,0,0,0,0,0|3,0,1]=4 174 B20R0.32083 CCCCCCCCCCSCCOCC(=O)NCCC 8013535c5b376e004168cb5d223596b1 [0,0,0,0,0,0|3,0,0]=3 175 B20R0.32083 CCCCCCCCCCSCCOCC(=O)OCCC 9d43aaba8dbf7766194955657810bce8 [0,0,0,0,0,0|4,0,0]=4 176 B20R0.32083 CCCCCCCCOCCOCCCC(=O)NCCC 51c7ee6060b17dfc79174cd19602a638 [0,0,0,0,0,0|3,0,0]=3 177 B20R0.32083 CCCCCCCCSCCOCCCC(=O)NCCC e4bb100b7ccf631732e9645bd333f3d6 [0,0,0,0,0,0|3,0,0]=3 178 B20R0.32083 CCCCCOCCOCCOCCCC(=O)NCCC 03152119ea92560ecf4aa3b3570df5c5 [0,0,0,0,0,0|4,0,0]=4 179 B20R0.32083 CCCNC(=O)CCCCCCCCCCCCCC=O 5c79825c426a43a8f6dc1010d97d1bfd [0,0,0,0,0,0|2,0,1]=3 180 B20R0.32083 CCCNC(=O)CCCCCCCCCCCCCCO 0e01c2b2eb110cd22245950d761522d1 [0,0,0,0,0,0|2,0,0]=2 181 B20R0.32083 CCCNC(=O)CCCNCCCCCCCCCCO 009d4f35aa4ec8338d82831f87bbdc26 [0,0,0,0,0,0|3,0,0]=3 182 B20R0.32083 CCCNC(=O)CNCCCCCCCCCCCC=O 369e537128faf68507b4d11b85f1d2c1 [0,0,0,0,0,0|3,0,1]=4 183 B20R0.32083 CCCNC(=O)CNCCCCCCCCCCCCO 6f531ab8cd03e0af8dc48ccdb85ce3f3 [0,0,0,0,0,0|3,0,0]=3 184 B20R0.32083 CCCNC(=O)CNCCCCCCCCCCCCS 26731295d13fb26c1b6b551acb0c8424 [0,0,0,0,0,0|3,0,0]=3 185 B20R0.32083 CCCNC(=O)CNCCCCCCOCCCCCO 7d88942e2e082804c000d68805a16595 [0,0,0,0,0,0|4,0,0]=4 186 B20R0.32083 CCCNC(=O)CNCCCCCCOCCOCCC 8a00576e5e27b75addaff65eebf61fdc [0,0,0,0,0,0|4,0,0]=4 187 B20R0.32083 CCCNC(=O)NCCCCCCCCCCCCCO eeae5ec07d6f429dbbc7163d272e68cf [0,0,0,0,0,0|3,0,0]=3 188 B20R0.32083 CCCNC(=S)NCCCCCCCCCCCCCO 69609be3545682ce3ae005afefea1b4b [0,0,0,0,0,0|3,1,0]=4 189 B20R0.32083 CCCOC(=O)CCOCCCCCCCCCCCS ce545a8101271de5556a820fd3cd8e40 [0,0,0,0,0,0|4,0,0]=4 190 B20R0.32083 CCCOC(=O)CCOCCCCCCCCCOCC eec3eb7276a0ca2f46ee9e739b32ab5b [0,0,0,0,0,0|4,0,0]=4 191 B20R0.32083 CCCOC(=O)CNCCCCCCCCCCCCO 5ac3cfc7da32158b7a188a331ced0bd0 [0,0,0,0,0,0|4,0,0]=4 192 B20R0.32083 CCCOCCOCCCCCCNCC(=O)NCCO f6786181cebcb0de4ac7acc0335c8234 [0,0,0,0,0,0|3,0,0]=3 193 B20R0.32083 CN(CCCO)CCCCCCCCCCCCCCO 3ecdd650293cf021fdf0d182fafb3183 [0,0,0,0,0,0|4,0,0]=4 194 B20R0.32083 N#CCNC(=O)CCCCCCCCCCCCCC=O 7304bf85f5fa0455ceaca0ca7f3e030f [0,0,0,0,0,0|2,0,2]=4 195 B20R0.32083 N#CCNC(=O)CCCCCCCCCCCCCCO d66675d4d87a709ad7b8e48b4b8e4531 [0,0,0,0,0,0|2,0,1]=3 196 B20R0.32083 N#CCNC(=O)CNCCCCCCCCCCCCO 969cc8e8c7a4b761acd8ac34863b9674 [0,0,0,0,0,0|3,0,1]=4 197 B20R0.32083 N#CCNC(=O)NCCCCCCCCCCCCCO ace3e0d539fe0305025228ddc5658c67 [0,0,0,0,0,0|3,0,1]=4 198 B20R0.32083 NCCNC(=O)NCCCCCCCCCCCCCO ed6c20d4a74bbfeff3b78a672dd1ec89 [0,0,0,0,0,0|3,0,0]=3 199 B20R0.32083 NCCNC(=S)NCCCCCCCCCCCCCO 449d2a2e23de79e6e697441a15241ff2 [0,0,0,0,0,0|3,1,0]=4 200 B20R0.32083 O=C(/C=C/CO)NCCCCCCCCCCCCCO d6d01a064309464f52a8cc655fadb9c9 [0,0,0,0,0,0|3,0,1]=4 201 B20R0.32083 O=C(C#CCO)NCCCCCCCCCCCCCO 87d6b9a1aa448e61acaa4ca9766d5c6c [0,0,0,0,0,0|3,0,1]=4 202 B20R0.32083 O=C(C=CCO)NCCCCCCCCCCCCCO dbfc9f9fdba2ec1c8a42ef7af1403501 [0,0,0,0,0,0|3,0,1]=4 203 B20R0.32083 O=C(CCCCCCCCCCCCCCO)NCCBr 9bdaca431d6c9467087991da19d0b022 [0,0,0,0,0,0|2,0,0]=2 204 B20R0.32083 O=C(CCCCCCCCCCCCCCO)NCCF 0eba139f206accf2b12df5949607242c [0,0,0,0,0,0|2,0,0]=2 205 B20R0.32083 O=C(CCCCCCCCCCCCCCO)NCCI cb3bcf98b102000b3bc8db8976a41d34 [0,0,0,0,0,0|2,0,0]=2 206 B20R0.32083 O=C(CCCCCCCCCCCCCCO)NCCO 4bd56258ceca3617865fc3f2426bb8fb [0,0,0,0,0,0|1,0,0]=1 207 B20R0.32083 O=C(CCCCCCCCCCCCCCO)NCCS 66d5edf5795d620f89fb460265a414c1 [0,0,0,0,0,0|1,1,0]=2 208 B20R0.32083 O=C(CCCF)NCCCCCCCCCCCCCO 3b66136ca79bd26837abf786ef690780 [0,0,0,0,0,0|4,0,0]=4 209 B20R0.32083 O=C(CCCS)NCCCCCCCCCCCCCO 167a74274f1fdcbdce2f39b93be93c07 [0,0,0,0,0,0|3,1,0]=4 210 B20R0.32083 O=C(CNCCCCCCCCCCCCO)NCCO 2db26e329fc0a7b5530367424ce12b0b [0,0,0,0,0,0|2,0,0]=2 211 B20R0.32083 O=C(CNCCCCCCCCCCCCS)NCCO b1aacb6490c2b3aed94bf556b06d5a15 [0,0,0,0,0,0|2,0,0]=2 212 B20R0.32083 O=C(CNCCCCCCOCCCCCO)NCCO 68490f7a235496839ed05664e314e282 [0,0,0,0,0,0|3,0,0]=3 213 B20R0.32083 O=C(CNCCCCCCOCCOCCO)NCCO b61d5438e6716da81c2bae9c46769b0c [0,0,0,0,0,0|4,0,0]=4 214 B20R0.32083 O=C(NCCF)NCCCCCCCCCCCCCO 921635c5555bc2c7d0c84a67638b9ed0 [0,0,0,0,0,0|3,0,0]=3 215 B20R0.32083 O=C(NCCO)NCCCCCCCCCCCCCO 4a6ca87236df5faf5e10d1730908f99d [0,0,0,0,0,0|2,0,0]=2 216 B20R0.32083 O=C(NCCS)NCCCCCCCCCCCCCO fa1c079d501bb52a83a437404c180bf9 [0,0,0,0,0,0|2,1,0]=3 217 B20R0.32083 O=CCCCCCCCCCCCCCC(=O)NCCBr e441d435b4f727215eaee80300ad2d7e [0,0,0,0,0,0|2,0,1]=3 218 B20R0.32083 O=CCCCCCCCCCCCCCC(=O)NCCF 68e930c349e4db66fa7ff109f215b38e [0,0,0,0,0,0|2,0,1]=3 219 B20R0.32083 O=CCCCCCCCCCCCCCC(=O)NCCI 11ed7bbdd2c663b759567b83d9f34ffb [0,0,0,0,0,0|2,0,1]=3 220 B20R0.32083 O=CCCCCCCCCCCCCCC(=O)NCCO 616d1b2a995205a5d7072f45ba1bcacc [0,0,0,0,0,0|1,0,1]=2 221 B20R0.32083 O=CCCCCCCCCCCCCCC(=O)NCCS 6c605fe8cbe1b4f1b7558bcf9c44eaf9 [0,0,0,0,0,0|1,1,1]=3 222 B20R0.32083 O=CCCCCCCCCCCCNCC(=O)NCCO 3d02a79eaf9629d98fc2dc0c122d8b0f [0,0,0,0,0,0|2,0,1]=3 223 B20R0.32083 OCCCCCCCCCCCCCNC(=S)NCCF aea6068b52e64f0b21f144293c6d9234 [0,0,0,0,0,0|3,1,0]=4 224 B20R0.32083 OCCCCCCCCCCCCCNC(=S)NCCO d558506b872293e180cf1a8fe7d2b266 [0,0,0,0,0,0|2,1,0]=3 225 B20R0.32083 OCCCCCCCCCCCCCNC(=S)NCCS c6203ea2499a998093ae7b7f2d9f8e76 [0,0,0,0,0,0|2,2,0]=4 226 B19R0.36 C#CCNCCCCCCCCCCCCCCCC 4032c78fbc3e67ea519d505e41895301 [1,0,0,0,0,0|1,0,2]=4 227 B19R0.36 C=CCCCCCCCCCCCCCCNCCO d4af2ed3a86e4c26ee09b5d5749bddee [1,0,0,0,0,0|0,0,3]=4 228 B19R0.36 CCCCCCCCCCCCCCCCCNCO 203cbe26b069410ff66fef36f2b59565 [1,0,0,0,0,0|2,0,1]=4 229 B19R0.36 CCCCCCCCCCCCCCCCNCC#N f3300950b06c93e9ef4b9132953dbea2 [1,0,0,0,0,0|1,0,2]=4 230 B19R0.36 CCCCCCCCCCCCCCCCNCC=O 8936f26a847a99fc6f17e5c055d8952a [1,0,0,0,0,0|0,0,3]=4 231 B19R0.36 CCCCCCCCCCCCCCCCNCCO 5dd55c22996582c1a355c6eef990ad6c [1,0,0,0,0,0|0,0,1]=2 232 B19R0.36 CCCCCCCCCCCCCCCCNCCS f620335c78f31d907253728e046b2a65 [1,0,0,0,0,0|0,1,1]=3 233 B19R0.36 CCCCCCCCCCCCCCCCNCOC e6ec246eb766367f65d49fc48f981dd9 [1,0,0,0,0,0|2,0,1]=4 234 B19R0.36 CCCCCCCCCCCCCCCNCCCO 6c95744412386b76180dcbf66f3a6fcd [1,0,0,0,0,0|2,0,0]=3 235 B19R0.36 CCCCCCCCCCCCCCCNCCCS 8a61a76d7a8220eda94ef5d285d2b77a [1,0,0,0,0,0|2,1,0]=4 236 B19R0.36 CCCCCCCCCCCCCCNCCCCO 1f7327918cd00fbbb464b0e0fd89b64b [1,0,0,0,0,0|2,0,1]=4 237 B19R0.36 CCCCCCCCCCCCCNCCCCCO 252b6cee80e587bbac129ccdd92501a0 [1,0,0,0,0,0|2,0,1]=4 238 B19R0.36 CCCCCCCCCCCCCNCCOCCO 2b0c41a0653cc548348428c8212cb049 [1,0,0,0,0,0|2,0,1]=4 239 B19R0.36 CCCCCCCCCCCCCNCCSCCO afee633c12507cff21d23e3fbaf32238 [1,0,0,0,0,0|2,0,1]=4 240 B19R0.36 CCCCCCCCCCCCNCCCCCCO 0de0c9cbc5a835196c333e19c66a0471 [1,0,0,0,0,0|2,0,1]=4 241 B19R0.36 CCCCCCCCCCCCNCCCOCCO 1d9686ffd6a800203988165178921b55 [1,0,0,0,0,0|2,0,1]=4 242 B19R0.36 CCCCCCCCCCCCNCCOCCCO 84d9823405010c7c63313ea2127ca141 [1,0,0,0,0,0|3,0,0]=4 243 B19R0.36 CCCCCCCCCCCCOCCCNCCC e4fbfbb61bdb3bbc980104f50685b6a0 [1,0,0,0,0,0|2,0,1]=4 244 B19R0.36 CCCCCCCCCCCCOCCCNCCF 4c9e1322a00b9ea66c00dc36d32083a3 [1,0,0,0,0,0|2,0,1]=4 245 B19R0.36 CCCCCCCCCCCCOCCCNCCO 6728df80e7224bd81379d7532557cb33 [1,0,0,0,0,0|1,0,1]=3 246 B19R0.36 CCCCCCCCCCCCOCCCNCCS 0edd747cc18bcb573aa6961fa1071259 [1,0,0,0,0,0|1,1,1]=4 247 B19R0.36 CCCCCCCCCCCNCCCCCCCO 0e86b81a9dbef16cebc14cf41f63fcf7 [1,0,0,0,0,0|2,0,1]=4 248 B19R0.36 CCCCCCCCCCCNCCCCSCCO f8d6fdfaa76c1663a8234bff5c6ba815 [1,0,0,0,0,0|2,0,1]=4 249 B19R0.36 CCCCCCCCCCCNCCCOCCCO 4d4e3274808621e93703334ab32e7908 [1,0,0,0,0,0|3,0,0]=4 250 B19R0.36 CCCCCCCCCCNCCCCCCCCO a0abc28a0ac80267f280224a971b61ac [1,0,0,0,0,0|2,0,1]=4 251 B19R0.36 CCCCCCCCCNCCCCCCCCCO 710de61f072cecfa89ca14198a2a8b86 [1,0,0,0,0,0|2,0,1]=4 252 B19R0.36 CCCCCCCCCNCCCCCCOCCO 90389dd214b110d235f9c26f2c2eec30 [1,0,0,0,0,0|2,0,1]=4 253 B19R0.36 CCCCCCCCNCCCCCCCCCCO bbffe10cf781bf72e3a1e0b2bca7a5b1 [1,0,0,0,0,0|2,0,1]=4 254 B19R0.36 CCCCCCCNCCCCCCCCCCCO 7b926b6ec0d1b44749cd5a72fdbe47c7 [1,0,0,0,0,0|2,0,1]=4 255 B19R0.36 CCCCCCNCCCCCCCCCCCCO c1812b768ae0abded6d2c3a9bbac57c8 [1,0,0,0,0,0|2,0,1]=4 256 B19R0.36 CCCCCNCCCCCCCCCCCCCO 6a2f0419e3b3394bea211911e8564f40 [1,0,0,0,0,0|2,0,1]=4 257 B19R0.36 CCCCNCCCCCCCCCCCCCCO a41f0e5ceece15b04e00248d77fee004 [1,0,0,0,0,0|2,0,1]=4 258 B19R0.36 CCCNCCCCCCCCCCCCCCCO 7098952addb56b02b895b6dec4d928df [1,0,0,0,0,0|2,0,1]=4 259 B19R0.36 CCCNCCCCCCCCCCCCCCOC 4809eb731bf63038d26b064acefd3ede [1,0,0,0,0,0|2,0,1]=4 260 B19R0.36 CCNCCCCCCCCCCCCCCCCO 69ec7d6788056dc0ee77cc89f13bb4b8 [1,0,0,0,0,0|2,0,1]=4 261 B19R0.36 COCCCCCCCCCCCCCCNCCBr c8c9b7689f3b3ddca9325f339362c241 [1,0,0,0,0,0|2,0,1]=4 262 B19R0.36 COCCCCCCCCCCCCCCNCCF c1c8fd5d6fb869f1d54d1315b8418163 [1,0,0,0,0,0|2,0,1]=4 263 B19R0.36 COCCCCCCCCCCCCCCNCCI 7ce20061db4edb7d7947163bb2bdd9b8 [1,0,0,0,0,0|2,0,1]=4 264 B19R0.36 COCCCCCCCCCCCCCCNCCO a76acfbc257dcb4b954bf33fc3198d7e [1,0,0,0,0,0|1,0,1]=3 265 B19R0.36 COCCCCCCCCCCCCCCNCCS 645ade2b0e854672ed4e4f47fa642c07 [1,0,0,0,0,0|1,1,1]=4 266 B19R0.36 OCCCCCCCCCCCCCCCNCCBr 243e4f3b428b6d655151150ada0bc280 [1,0,0,0,0,0|2,0,1]=4 267 B19R0.36 OCCCCCCCCCCCCCCCNCCF fc7d7dcaab366770091d404f5e99ea75 [1,0,0,0,0,0|2,0,1]=4 268 B19R0.36 OCCCCCCCCCCCCCCCNCCI 4752f7a8e3e19abdaf91eafdeb5b4f91 [1,0,0,0,0,0|2,0,1]=4 269 B19R0.36 OCCCCCCCCCCCCCCCNCCO 80055c42b971143d4cbd7740e8ac115b [1,0,0,0,0,0|1,0,1]=3 270 B19R0.36 OCCCCCCCCCCCCCCCNCCS e4f261137141082a0bfdb2de196ebfe7 [1,0,0,0,0,0|1,1,1]=4 271 B19R0.36 OCCCCCCCCCCCCCCNCCCO 0bcc223ab6d4efe047f46f2f126fec53 [1,0,0,0,0,0|3,0,0]=4 272 B19R0.182 C#CCC(=O)NCCCCCCCCCCCCCC 54dddc54afc937302f1aedd14a66a4e5 [1,0,0,0,0,0|2,0,1]=4 273 B19R0.182 C#CCCCCCCCCCCCOCC(=O)NCC be754e86688c4b9d1e3ccbd33869038f [1,0,0,0,0,0|1,0,2]=4 274 B19R0.182 C#CCCCCCCCCCCNCCC(=O)NCC e70393ab5a6688dc42ee20af89f9ad64 [1,0,0,0,0,0|1,0,2]=4 275 B19R0.182 C#CCCCCCCCCCCOCCC(=O)NCC ea13e5456046e101052c210bb8678a8e [1,0,0,0,0,0|1,0,2]=4 276 B19R0.182 C/C=C/C(=O)NCCCCCCCCCCCCCC a3ca40b8fbd395d86a89d06bae09f957 [1,0,0,0,0,0|2,0,1]=4 277 B19R0.182 C=CCC(=O)NCCCCCCCCCCCCCC 6f5fba740886715f8a0370755e9574d8 [1,0,0,0,0,0|2,0,1]=4 278 B19R0.182 C=CCCCCCCCCCCCNCC(=O)NCC be581417ec3117108d82eab920fb7bf2 [1,0,0,0,0,0|1,0,2]=4 279 B19R0.182 C=CCCCCCCCCCCCOCC(=O)NCC 983fec974582ed6b0bc2f95c438087b0 [1,0,0,0,0,0|1,0,2]=4 280 B19R0.182 C=CCCCCCCCCCCOCCC(=O)NCC e0861b76538e6e184c41735cb786f343 [1,0,0,0,0,0|1,0,2]=4 281 B19R0.182 CC#CC(=O)NCCCCCCCCCCCCCC 6e38c74e13020efdf6144540068088e0 [1,0,0,0,0,0|2,0,1]=4 282 B19R0.182 CC/C=C\CCCCCCCCOCCC(=O)NCC 640a6c8bea3a1d60eced46e7900b0ac0 [1,0,0,0,0,0|1,0,2]=4 283 B19R0.182 CCC#CCCCCCCCCOCCC(=O)NCC c734b7de5cd53bd279fcc4dbf06e2f1a [1,0,0,0,0,0|1,0,2]=4 284 B19R0.182 CCC/C=C\CCCCCCCOCCC(=O)NCC 68b175945d1af55a1542fb6a1b2cc635 [1,0,0,0,0,0|1,0,2]=4 285 B19R0.182 CCCC(=O)CNCCCCCCCCCCCCO 7eed73c17c3fb8c55800d5f86798dc21 [1,0,0,0,0,0|3,0,0]=4 286 B19R0.182 CCCC(=O)NCCCCCCCCCCCCCO 92aaed957ccc5273df820c9b612ccf3a [1,0,0,0,0,0|3,0,0]=4 287 B19R0.182 CCCC/C=C/CCCCCCOCCC(=O)NCC d1ed657d50d74e30f83f07f0cdfd5d09 [1,0,0,0,0,0|1,0,2]=4 288 B19R0.182 CCCC/C=C\CCCCCCOCCC(=O)NCC d76d31194bfaca1060a68cdc05486bab [1,0,0,0,0,0|1,0,2]=4 289 B19R0.182 CCCCCC/C=C\CCCCOCCC(=O)NCC af67e092316ca0010fb9ffee185a0d09 [1,0,0,0,0,0|1,0,2]=4 290 B19R0.182 CCCCCCCC/C=C\CCOCCC(=O)NCC 1920bf7949a4fc8e75b232a27dcbc39d [1,0,0,0,0,0|1,0,2]=4 291 B19R0.182 CCCCCCCCC/C=C/COCCC(=O)NCC 0f991c61cfe2cfea089b8a3f36d482f6 [1,0,0,0,0,0|1,0,2]=4 292 B19R0.182 CCCCCCCCCC/C=C/COCC(=O)NCC 0339899e2e640c9c6d00464750e5c858 [1,0,0,0,0,0|1,0,2]=4 293 B19R0.182 CCCCCCCCCC=CCOCCC(=O)NCC ab49c500b96bf32f6d3e05f2588c06b2 [1,0,0,0,0,0|1,0,2]=4 294 B19R0.182 CCCCCCCCCCC#CCOCC(=O)NCC b8542d013fa98c32da0999b20478eae5 [1,0,0,0,0,0|1,0,2]=4 295 B19R0.182 CCCCCCCCCCCCCCCC(=O)NC#N cc9b499b2839fbaa83726240a0c1882d [1,0,0,0,0,0|1,0,1]=3 296 B19R0.182 CCCCCCCCCCCCCCCN(C)CCF a265977273039127449544d6e5b5e041 [1,0,0,0,0,0|3,0,0]=4 297 B19R0.182 CCCCCCCCCCCCCCCN(C)CCO 554a7110bb4c2c3fc53831240dcba0b9 [1,0,0,0,0,0|2,0,0]=3 298 B19R0.182 CCCCCCCCCCCCCCNC(=O)CC#N 05635964a2b65e54a9b8f116f1607e6c [1,0,0,0,0,0|2,0,1]=4 299 B19R0.182 CCCCCCCCCCCCCCNC(=O)CC=O 334bb250d8b19f451d30d0e546083b13 [1,0,0,0,0,0|1,0,2]=4 300 B19R0.182 CCCCCCCCCCCCCCNC(=O)CCC dc6641fc47941b70b41925de1aabd8b2 [1,0,0,0,0,0|2,0,0]=3 301 B19R0.182 CCCCCCCCCCCCCCNC(=O)CCF aa3728c04806245aee31ef6f92d9ff4e [1,0,0,0,0,0|2,0,0]=3 302 B19R0.182 CCCCCCCCCCCCCCNC(=O)CCO 32df78bfa527dd7b25eed6170abfab7d [1,0,0,0,0,0|1,0,0]=2 303 B19R0.182 CCCCCCCCCCCCCCNC(=O)CCS 05f680e5e94f7f72da9aaa8c83945795 [1,0,0,0,0,0|1,1,0]=3 304 B19R0.182 CCCCCCCCCCCCCCNC(=O)COC b1d071edba9f20bf325d81ea18d11f24 [1,0,0,0,0,0|3,0,0]=4 305 B19R0.182 CCCCCCCCCCCCCCNC(=O)CON e8aaeba82ddf67bd6d0d0f85f46b7132 [1,0,0,0,0,0|3,0,0]=4 306 B19R0.182 CCCCCCCCCCCCCCNC(=O)CSC e6213aa50c75788137a7434884e0d535 [1,0,0,0,0,0|3,0,0]=4 307 B19R0.182 CCCCCCCCCCCCCCNC(=O)NC#N d692a591d55bfe73e8e3e0ad7859ab5f [1,0,0,0,0,0|2,0,1]=4 308 B19R0.182 CCCCCCCCCCCCCCNC(C)CCO e930e70c45836e5ff9451a2b34b3121e [1,0,0,0,0,0|2,0,1]=4 309 B19R0.182 CCCCCCCCCCCCCCN[C@@H](C)CCO 095772b4076e4542b9959e21756ebfab [1,0,0,0,0,0|2,0,1]=4 310 B19R0.182 CCCCCCCCCCCCCCN[C@H](C)CCO c4dc618b803d49ce66c457439a69ce8f [1,0,0,0,0,0|2,0,1]=4 311 B19R0.182 CCCCCCCCCCCCCNCC(=O)CCC 8415756bfbd9e346d31ce5c969642524 [1,0,0,0,0,0|2,0,0]=3 312 B19R0.182 CCCCCCCCCCCCCNCC(=O)COC 69b7f09a64ac072dd309730054ab3b73 [1,0,0,0,0,0|3,0,0]=4 313 B19R0.182 CCCCCCCCCCCCCNCC(=O)NCC 4ba2a5cb90a4c972430f55acb0fc72a1 [1,0,0,0,0,0|1,0,0]=2 314 B19R0.182 CCCCCCCCCCCCCNCC(=O)NCO bf92ca712fe02a20cfdcf17420075ba0 [1,0,0,0,0,0|1,0,0]=2 315 B19R0.182 CCCCCCCCCCCCCNCC(=O)OCC 4214430933c09899a3892ff9c8ee542a [1,0,0,0,0,0|2,0,0]=3 316 B19R0.182 CCCCCCCCCCCCCNCC(C)CCO 4d9946eff545ad6efda55f101959bb09 [1,0,0,0,0,0|2,0,1]=4 317 B19R0.182 CCCCCCCCCCCCCNC[C@@H](O)CCO 3cf3de479e5a7fd2a829b9f05ffcc824 [1,0,0,0,0,0|1,0,2]=4 318 B19R0.182 CCCCCCCCCCCCCOCC(=O)CCC fd3f714a915e55a96ef2b46637afb446 [1,0,0,0,0,0|2,0,0]=3 319 B19R0.182 CCCCCCCCCCCCCOCC(=O)COC 9fe9e1504191b17ffbc2ac03d2e0da87 [1,0,0,0,0,0|3,0,0]=4 320 B19R0.182 CCCCCCCCCCCCCOCC(=O)NCC 00d5f211ef8547df5ffcf7c7566947b9 [1,0,0,0,0,0|1,0,0]=2 321 B19R0.182 CCCCCCCCCCCCCOCC(=O)OCC b866d38a0f41f8de83edfedfafbe7d6b [1,0,0,0,0,0|2,0,0]=3 322 B19R0.182 CCCCCCCCCCCCCOC[C@@H](O)CCO 97b7dd8e9105f94600a036c2ad0fa158 [1,0,0,0,0,0|1,0,2]=4 323 B19R0.182 CCCCCCCCCCCCNCCC(=O)NCC 07a9442d4ddf6c15da92317c775cbf20 [1,0,0,0,0,0|1,0,0]=2 324 B19R0.182 CCCCCCCCCCCCNCCC(=O)OCC faa0ef31ce022e06e2ca706bbbd3d6fd [1,0,0,0,0,0|2,0,0]=3 325 B19R0.182 CCCCCCCCCCCCNCCN(C)CCO 8e45146ed8b2c7e7730ba143a10dba2a [1,0,0,0,0,0|3,0,0]=4 326 B19R0.182 CCCCCCCCCCCCNCOC(=O)CCC 24289197cb15a044f320344f77f4276d [1,0,0,0,0,0|3,0,0]=4 327 B19R0.182 CCCCCCCCCCCCNCOC(=O)OCC 043c51cb72acd8f71d02f0a85acdf18b [1,0,0,0,0,0|3,0,0]=4 328 B19R0.182 CCCCCCCCCCCCNCOC(=O)SCC a7d0c384825b2ce9d3ea7c4f3c07bcdd [1,0,0,0,0,0|3,0,0]=4 329 B19R0.182 CCCCCCCCCCCCOCCC(=O)NCC 32d5d0bade5db9e3d50f40117996c515 [1,0,0,0,0,0|1,0,0]=2 330 B19R0.182 CCCCCCCCCCCCOCCC(=O)OCC 2ef1d5e2a80aa3149ca5f2c82d8ffb79 [1,0,0,0,0,0|2,0,0]=3 331 B19R0.182 CCCCCCCCCCCCOCOC(=O)CCC 6581e7e7e053d558cf5cdd412227e864 [1,0,0,0,0,0|3,0,0]=4 332 B19R0.182 CCCCCCCCCCCCOCOC(=O)OCC 481902825e0fb95778c063ab4910bcb5 [1,0,0,0,0,0|3,0,0]=4 333 B19R0.182 CCCCCCCCCCCCOCOC(=O)SCC 76ef8953b2d2b2db03dc4f2209bba6b7 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CCOCCCOCCCCCCCCC(=O)OCC d1ee361e5d5faf7a562bbd7c60681b91 [1,0,0,0,0,0|3,0,0]=4 452 B19R0.182 CCOCCOCCCCCCCCCC(=O)OCC 631c4960bde7ce4183d044f3bb5ffec0 [1,0,0,0,0,0|3,0,0]=4 453 B19R0.182 CN(CCO)CCCCCCCCCCCCCCO 05a3f975703d8047f4725b8ba1ebf672 [1,0,0,0,0,0|3,0,0]=4 454 B19R0.182 N#CNC(=O)CCCCCCCCCCCCCCO 31ad7d3187a7f0d1218dfdfa219e6d40 [1,0,0,0,0,0|2,0,1]=4 455 B19R0.182 O=C(CCF)NCCCCCCCCCCCCCO 385effb30a4b7193e20845c72d763882 [1,0,0,0,0,0|3,0,0]=4 456 B19R0.182 O=C(CCO)NCCCCCCCCCCCCCO 8737f24cb6dfa364b1e5e3b1c4a47ee5 [1,0,0,0,0,0|2,0,0]=3 457 B19R0.182 O=C(CCS)NCCCCCCCCCCCCCO 5120254332e28a502132310731633034 [1,0,0,0,0,0|2,1,0]=4 458 B19R0.182 O=C(CNCCCCCCCCCCCCO)NCO acf54d043f86f2983e6a52bcdf860837 [1,0,0,0,0,0|2,0,0]=3 459 B19R0.182 O=S(CCO)CCCCNCCCCCCCCCO adb8a4f9ef68461a939eca22590c15ef [1,0,0,0,0,0|3,0,0]=4 460 B19R0.26303 C#CCCCCCCCCCCCCC(=O)NCCBr 7c49ee3c325999df7b12d2a0178029dc [1,0,0,0,0,0|1,0,2]=4 461 B19R0.26303 C#CCCCCCCCCCCCCC(=O)NCCC 192e720d9bace255694c80599dc2fb2f [1,0,0,0,0,0|1,0,2]=4 462 B19R0.26303 C#CCCCCCCCCCCCCC(=O)NCCF 0d29c3d4211b386ad650b85368414b8c [1,0,0,0,0,0|1,0,2]=4 463 B19R0.26303 C#CCCCCCCCCCCCCC(=O)NCCI a3597a9a2edb6113ed8aae976ac5629a [1,0,0,0,0,0|1,0,2]=4 464 B19R0.26303 C#CCCCCCCCCCCCCC(=O)NCCO d02e55aec849e838c9ca505bb927939f [1,0,0,0,0,0|0,0,2]=3 465 B19R0.26303 C#CCCCCCCCCCCCCC(=O)NCCS 68e979b6c5c9e9b5e4ff9c6ed2b4273a [1,0,0,0,0,0|0,1,2]=4 466 B19R0.26303 C#CCCCCCCCCCCNCC(=O)NCCO 1eec3f118bde92b3e54ea0a67d3b0619 [1,0,0,0,0,0|1,0,2]=4 467 B19R0.26303 C#CCNC(=O)CCCCCCCCCCCCCC 324346031d56022447d57d519619708c [1,0,0,0,0,0|1,0,1]=3 468 B19R0.26303 C#CCNC(=O)CCCCCCCCCCCCCO 77c6ed87aa5944f33270805ec866f514 [1,0,0,0,0,0|2,0,1]=4 469 B19R0.26303 C#CCNC(=O)CCCCCCCCCCCCCS 15c77643fe5f57b551cb4fcb0c129040 [1,0,0,0,0,0|2,0,1]=4 470 B19R0.26303 C#CCNC(=O)CNCCCCCCCCCCCC e3a6ceed3a1fc205d3f4a2ce40f98965 [1,0,0,0,0,0|2,0,1]=4 471 B19R0.26303 C#CCNC(=O)COCCCCCCCCCCCC b4632e185e23ba2ee3274b54917e0e68 [1,0,0,0,0,0|2,0,1]=4 472 B19R0.26303 C#CCNC(=O)NCCCCCCCCCCCCC 9a20c4cef82546c9825818ac699f0aa8 [1,0,0,0,0,0|2,0,1]=4 473 B19R0.26303 C=CCCCCCCCCCCCCC(=O)NCCBr 136106d8f3d36c927d85c6d7476f43ac [1,0,0,0,0,0|1,0,2]=4 474 B19R0.26303 C=CCCCCCCCCCCCCC(=O)NCCC 02087bafcd5f5d82d6d2b00a24c398df [1,0,0,0,0,0|1,0,2]=4 475 B19R0.26303 C=CCCCCCCCCCCCCC(=O)NCCF 5276df77b3958768dcf1c6775761da2f [1,0,0,0,0,0|1,0,2]=4 476 B19R0.26303 C=CCCCCCCCCCCCCC(=O)NCCI a083645b4435db2d320930e812881685 [1,0,0,0,0,0|1,0,2]=4 477 B19R0.26303 C=CCCCCCCCCCCCCC(=O)NCCO f4029c5dec64caa1d95d4b10025a8041 [1,0,0,0,0,0|0,0,2]=3 478 B19R0.26303 C=CCCCCCCCCCCCCC(=O)NCCS 9225ddb16e21c09c320d58a857d868bd [1,0,0,0,0,0|0,1,2]=4 479 B19R0.26303 C=CCCCCCCCCCCNCC(=O)NCCO fd284cdce75b1ec4c4179f1859d34de4 [1,0,0,0,0,0|1,0,2]=4 480 B19R0.26303 C=CCNC(=O)CCNCCCCCCCCCCC f1f2216cb600210bad149b792a09fffe [1,0,0,0,0,0|2,0,1]=4 481 B19R0.26303 C=CCNC(=O)CCOCCCCCCCCCCC 6a35e4bf3de103a42ebd592b3ae7740e [1,0,0,0,0,0|2,0,1]=4 482 B19R0.26303 C=CCNC(=O)CNCCCCCCCCCCCC a0bce3e9b9e384e213f77a8d7ab8d490 [1,0,0,0,0,0|2,0,1]=4 483 B19R0.26303 C=CCNC(=O)COCCCCCCCCCCCC 00702e613a527eb248d8656ad8535f91 [1,0,0,0,0,0|2,0,1]=4 484 B19R0.26303 CCCC/C=C/CCCCCCCCC(=O)NCCBr 9bfd2cc872e5e805b90064a7032c1a1b [1,0,0,0,0,0|1,0,2]=4 485 B19R0.26303 CCCC/C=C/CCCCCCCCC(=O)NCCC 81a19aef91128c804f465c1d6dd8e671 [1,0,0,0,0,0|1,0,2]=4 486 B19R0.26303 CCCC/C=C/CCCCCCCCC(=O)NCCF 6df368ec2c5e9c9d30ec9ee5bc335b76 [1,0,0,0,0,0|1,0,2]=4 487 B19R0.26303 CCCC/C=C/CCCCCCCCC(=O)NCCI 4ca8bce9b0d8569312f6ebb5973d285a [1,0,0,0,0,0|1,0,2]=4 488 B19R0.26303 CCCC/C=C/CCCCCCCCC(=O)NCCO 5a75344d6f6a9f69cbf7b52c5f566a2b [1,0,0,0,0,0|0,0,2]=3 489 B19R0.26303 CCCC/C=C/CCCCCCCCC(=O)NCCS c0566f22c55696c208f3f6acdc924732 [1,0,0,0,0,0|0,1,2]=4 490 B19R0.26303 CCCC/C=C\CCCCCCCCC(=O)NCCBr da0442355368bc96059271eed3074f64 [1,0,0,0,0,0|1,0,2]=4 491 B19R0.26303 CCCC/C=C\CCCCCCCCC(=O)NCCC 0be5f2b8a64dcf6fe6e67c37f9137ef6 [1,0,0,0,0,0|1,0,2]=4 492 B19R0.26303 CCCC/C=C\CCCCCCCCC(=O)NCCF a989b15eb2322413cd37f87a5b4758e5 [1,0,0,0,0,0|1,0,2]=4 493 B19R0.26303 CCCC/C=C\CCCCCCCCC(=O)NCCI e1e1b552f080425903b61c2363d7c118 [1,0,0,0,0,0|1,0,2]=4 494 B19R0.26303 CCCC/C=C\CCCCCCCCC(=O)NCCO 859b3d7132b9cd5818d495d0c4f35c6c [1,0,0,0,0,0|0,0,2]=3 495 B19R0.26303 CCCC/C=C\CCCCCCCCC(=O)NCCS 1d173851b56045c1215a2873d7899792 [1,0,0,0,0,0|0,1,2]=4 496 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCC#N aed51a08b4a4e6e8a91f15db4afa02ca [1,0,0,0,0,0|1,0,1]=3 497 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCBr 083a28f162e4dff5644fed0503fd6b5b [1,0,0,0,0,0|1,0,0]=2 498 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCC 6f76f5ea05c021c9838b6472c1f1feef [1,0,0,0,0,0|1,0,0]=2 499 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCF 597d6739c4f6fdc03dafc8a037143fad [1,0,0,0,0,0|1,0,0]=2 500 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCI 8bca6888a527311ca74ce42d92915b82 [1,0,0,0,0,0|1,0,0]=2 501 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCO 9d0736d170f3791adf97b9221efae37a [1,0,0,0,0,0|0,0,0]=1 502 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCS 8cdc93335f0c7317e213db3acaf91fd4 [1,0,0,0,0,0|0,1,0]=2 503 B19R0.26303 CCCCCCCCCCCCCCN(C)CCCO 4d238832829cf050e341ca87c1063082 [1,0,0,0,0,0|3,0,0]=4 504 B19R0.26303 CCCCCCCCCCCCCNC(=O)/C=C/CO 2a3bb3239e23ba3cbbc85cbfcb127609 [1,0,0,0,0,0|2,0,1]=4 505 B19R0.26303 CCCCCCCCCCCCCNC(=O)C#CCO c3e0fdc509dc7c29f82a9aaf056d66eb [1,0,0,0,0,0|2,0,1]=4 506 B19R0.26303 CCCCCCCCCCCCCNC(=O)C=CCO f9ab3ae38403d16ed8a62915f9e4e9fb [1,0,0,0,0,0|2,0,1]=4 507 B19R0.26303 CCCCCCCCCCCCCNC(=O)CCCC 9673c93cd3c8458faa921e964688c6d5 [1,0,0,0,0,0|3,0,0]=4 508 B19R0.26303 CCCCCCCCCCCCCNC(=O)CCCF eaa0c6261728eb6eff0d742ad5683fee [1,0,0,0,0,0|3,0,0]=4 509 B19R0.26303 CCCCCCCCCCCCCNC(=O)CCCS 01c4845bfb9604476553aa218686b783 [1,0,0,0,0,0|2,1,0]=4 510 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCC#N cbc437cf1fa7ae89e86bfe882aeb55b8 [1,0,0,0,0,0|2,0,1]=4 511 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCC 84d449b92db1e96a64466c4ac2dbba0a [1,0,0,0,0,0|2,0,0]=3 512 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCF 62bb4b184061b86f788f49852e7d29bd [1,0,0,0,0,0|2,0,0]=3 513 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCN a19067c23603f19542db2b869aa7b20c [1,0,0,0,0,0|2,0,0]=3 514 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCO 9ef5742bb7fb2d80a3c2fc1100678b70 [1,0,0,0,0,0|1,0,0]=2 515 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCS ff5d9751f81bd4fabb44fa95e7e95ef8 [1,0,0,0,0,0|1,1,0]=3 516 B19R0.26303 CCCCCCCCCCCCCNC(=S)NCCC 6467b02db30516102127e0805f1048b3 [1,0,0,0,0,0|2,1,0]=4 517 B19R0.26303 CCCCCCCCCCCCCNC(=S)NCCF a5aca487605fc9c8c33b3268c4e6c628 [1,0,0,0,0,0|2,1,0]=4 518 B19R0.26303 CCCCCCCCCCCCCNC(=S)NCCN 09e6fa395b1fcdd208b5810c4c8b8066 [1,0,0,0,0,0|2,1,0]=4 519 B19R0.26303 CCCCCCCCCCCCCNC(=S)NCCO c9e0a5913dda677130ed5a02cfc7468f [1,0,0,0,0,0|1,1,0]=3 520 B19R0.26303 CCCCCCCCCCCCCNC(=S)NCCS 856166ec66ba07f7de063aca23bada7f [1,0,0,0,0,0|1,2,0]=4 521 B19R0.26303 CCCCCCCCCCCCNCC(=O)NCC#N 01ce288468af5f4c319a83781bf06f74 [1,0,0,0,0,0|2,0,1]=4 522 B19R0.26303 CCCCCCCCCCCCNCC(=O)NCCC 4c6546da1716ccd03aded78977bbe28e [1,0,0,0,0,0|2,0,0]=3 523 B19R0.26303 CCCCCCCCCCCCNCC(=O)NCCO 809e8d26ea61c4c62b24a274fa433309 [1,0,0,0,0,0|1,0,0]=2 524 B19R0.26303 CCCCCCCCCCCCNCC(=O)OCCC 44880efde9aa90e57ea06838ce9c6654 [1,0,0,0,0,0|3,0,0]=4 525 B19R0.26303 CCCCCCCCCCCCOCC(=O)NCC#N 1570378486fc9746cfe1a166ada4d198 [1,0,0,0,0,0|2,0,1]=4 526 B19R0.26303 CCCCCCCCCCCCOCC(=O)NCCC 4a42e6cb85deca4331cc2c01644e7d99 [1,0,0,0,0,0|2,0,0]=3 527 B19R0.26303 CCCCCCCCCCCCOCC(=O)OCCC 9dac9b0e759cb53ed20d92a4d90f5f24 [1,0,0,0,0,0|3,0,0]=4 528 B19R0.26303 CCCCCCCCCCCOCCC(=O)OCCC c9da54b4bdf10fdd1bb3051a659669f9 [1,0,0,0,0,0|3,0,0]=4 529 B19R0.26303 CCCCCCCCCCNCCCC(=O)NCCC 6cd7bfa5f352f4eb8b8bed4ee7b1f21b [1,0,0,0,0,0|2,0,0]=3 530 B19R0.26303 CCCCCCCCCCOCCCC(=O)NCCC f0799852a75d4c2874cbc7a2f07203c6 [1,0,0,0,0,0|2,0,0]=3 531 B19R0.26303 CCCCCCCCOCCCNCC(=O)NCCC 1bc990ec8867131b68e220167422af84 [1,0,0,0,0,0|3,0,0]=4 532 B19R0.26303 CCCCCCCOCCCCOCC(=O)NCCC b59f0f948d6e80e87cf60acb1f0cf1cf [1,0,0,0,0,0|3,0,0]=4 533 B19R0.26303 CCCCCCOCCOCCNCC(=O)NCCO 18f87514a9968454036937a7af885efb [1,0,0,0,0,0|3,0,0]=4 534 B19R0.26303 CCCNC(=O)CCCCCCCCCCCCCO 324d24cc82d2fba579340b32f46b8f00 [1,0,0,0,0,0|2,0,0]=3 535 B19R0.26303 CCCNC(=O)CCCCCCCCCCCCCS 7309f626e574f97f10495de69ed40cb7 [1,0,0,0,0,0|2,0,0]=3 536 B19R0.26303 CCCNC(=O)CCCNCCCCCCCCCO b1f9bc65c1f483b57574572f34f89df2 [1,0,0,0,0,0|3,0,0]=4 537 B19R0.26303 CCCNC(=O)CCCOCCCCCCCCCS bfdd0f9938fb411137decccfa52db6bc [1,0,0,0,0,0|3,0,0]=4 538 B19R0.26303 CCCNC(=O)CNCCCCCCCCCCCO 7142e8a9ddae06b2c247e95422843a14 [1,0,0,0,0,0|3,0,0]=4 539 B19R0.26303 CCCNC(=O)CNCCCCCCCCCCCS 2aeaee0873300dcf2e546816861f1da0 [1,0,0,0,0,0|3,0,0]=4 540 B19R0.26303 CCCNC(=O)CNCCCCCCCCCOCC 29aac72b1a21e68d3ff776fc96c5defe [1,0,0,0,0,0|3,0,0]=4 541 B19R0.26303 CCCNC(=O)COCCCCCCCCCCCS 1365851b3d3877828f0ca6cc72c2b881 [1,0,0,0,0,0|3,0,0]=4 542 B19R0.26303 CCCNC(=O)COCCCCCCCCCOCC 6b9eadbf358078e2920de552d6e23b71 [1,0,0,0,0,0|3,0,0]=4 543 B19R0.26303 CCCNC(=O)NCCCCCCCCCCCCN 1fc497b0b604ae2d668820f1723ceed8 [1,0,0,0,0,0|3,0,0]=4 544 B19R0.26303 CCCNC(=O)NCCCCCCCCCCCCO 2ac5430e848a1bad5e2d7e038dca7030 [1,0,0,0,0,0|3,0,0]=4 545 B19R0.26303 CCOCCCCCCCCCNCC(=O)NCCO c7189b0a7af42b4b31335a5074fe7d91 [1,0,0,0,0,0|2,0,0]=3 546 B19R0.26303 N#CCNC(=O)CCCCCCCCCCCCCO ff7d4e9a011a476176c0c6cb8c2ebd94 [1,0,0,0,0,0|2,0,1]=4 547 B19R0.26303 N#CCNC(=O)CCCCCCCCCCCCCS 8821502f12ed23a760ffbc66b7a7f5b8 [1,0,0,0,0,0|2,0,1]=4 548 B19R0.26303 NCCCCCCCCCCCCNC(=O)NCCF dce06a5d616aa1ff6876cd866ad298dd [1,0,0,0,0,0|3,0,0]=4 549 B19R0.26303 NCCCCCCCCCCCCNC(=O)NCCN 99c5514975b2cf096bed5c5ee53136d9 [1,0,0,0,0,0|3,0,0]=4 550 B19R0.26303 NCCCCCCCCCCCCNC(=O)NCCO dd25beaa91483689a1b9f3a53c782eb0 [1,0,0,0,0,0|2,0,0]=3 551 B19R0.26303 NCCCCCCCCCCCCNC(=O)NCCS cdbf35eb67a9c2a931f7ecb19d30441d [1,0,0,0,0,0|2,1,0]=4 552 B19R0.26303 NCCCCCCCCCCCCNC(=S)NCCO 393aaa0b4f759489aa6c2364a9a667b6 [1,0,0,0,0,0|2,1,0]=4 553 B19R0.26303 NCCNC(=O)NCCCCCCCCCCCCO 86f480443c54d07985b9a32db5fb42ae [1,0,0,0,0,0|3,0,0]=4 554 B19R0.26303 O=C(CCCCCCCCCCCCCO)NCCBr 9c645dedb4c6f02d91c2fe67aecf6071 [1,0,0,0,0,0|2,0,0]=3 555 B19R0.26303 O=C(CCCCCCCCCCCCCO)NCCF 9bef6f5347c88426bc43a859868a272f [1,0,0,0,0,0|2,0,0]=3 556 B19R0.26303 O=C(CCCCCCCCCCCCCO)NCCI 292dd59da55be8d91ce03a15ff847f20 [1,0,0,0,0,0|2,0,0]=3 557 B19R0.26303 O=C(CCCCCCCCCCCCCO)NCCO eb6e70592cd5bc4a7b44b1df540f5916 [1,0,0,0,0,0|1,0,0]=2 558 B19R0.26303 O=C(CCCCCCCCCCCCCO)NCCS 321258a7dbabc27fd26976454a692417 [1,0,0,0,0,0|1,1,0]=3 559 B19R0.26303 O=C(CCCCCCCCCCCCCS)NCCBr 708e526a0574c5625020aab972db2360 [1,0,0,0,0,0|2,0,0]=3 560 B19R0.26303 O=C(CCCCCCCCCCCCCS)NCCF 23e82fe0b10a6f98b60904c7305cb0d3 [1,0,0,0,0,0|2,0,0]=3 561 B19R0.26303 O=C(CCCCCCCCCCCCCS)NCCI 63d0b285bff84da0126b1b7668df2aa0 [1,0,0,0,0,0|2,0,0]=3 562 B19R0.26303 O=C(CCCCCCCCCCCCCS)NCCO eb67d8d3af69e1ca75f1688dad0cf590 [1,0,0,0,0,0|1,0,0]=2 563 B19R0.26303 O=C(CCCCCCCCCCCCCS)NCCS e5571f48842052adf1d11cf38cf7a69e [1,0,0,0,0,0|1,1,0]=3 564 B19R0.26303 O=C(CNCCCCCCCCCCCO)NCCO 0475db6b12af16ed817095fb8bdef53c [1,0,0,0,0,0|2,0,0]=3 565 B19R0.26303 O=C(CNCCCCCCCCCCCS)NCCO 5c57256dfa90b0ac163f80805e86b736 [1,0,0,0,0,0|2,0,0]=3 566 B19R0.26303 O=C(NCCF)NCCCCCCCCCCCCO 9e2e4e544c7d0ab5b86ba0cd6bf4d1e9 [1,0,0,0,0,0|3,0,0]=4 567 B19R0.26303 O=C(NCCO)NCCCCCCCCCCCCO 04b71e5bc2523fbbde4b869d335791e8 [1,0,0,0,0,0|2,0,0]=3 568 B19R0.26303 O=C(NCCS)NCCCCCCCCCCCCO 081f51fd04ab581072c2a83044111a48 [1,0,0,0,0,0|2,1,0]=4 569 B19R0.26303 O=CCCCCCCCCCCNCC(=O)NCCO adf217c847aec529d8747ab0f85c2a05 [1,0,0,0,0,0|2,0,1]=4 570 B19R0.26303 OCCCCCCCCCCCCNC(=S)NCCO 98f7b2df3a80926d9d8096479d6a54c7 [1,0,0,0,0,0|2,1,0]=4 571 B21R0.1 C#CCNC(=O)CCCCCCCCCCCC(=O)CCC 7368073811a757594f8855628d0d3147 [0,1,0,0,0,0|1,0,2]=4 572 B21R0.1 C#CCNC(=O)CCCCCCCCCCCC(O)CCC e2f7ff80b341d0ce5c8fc8da2ef04958 [0,1,0,0,0,0|1,0,1]=3 573 B21R0.1 CCCC(=O)CCCCCCCCCCCC(=O)NCC#N 738606cef9df7d6fe2a74d5c3a801fe8 [0,1,0,0,0,0|1,0,2]=4 574 B21R0.1 CCCC(=O)CCCCCCCCCCCC(=O)NCCBr d0cc8831ee7bc5c40cc9e5185f3dc500 [0,1,0,0,0,0|1,0,1]=3 575 B21R0.1 CCCC(=O)CCCCCCCCCCCC(=O)NCCF 4520f1a21c72341ab78f083af7e1aebe [0,1,0,0,0,0|1,0,1]=3 576 B21R0.1 CCCC(=O)CCCCCCCCCCCC(=O)NCCI feb3922f4dacda393bcb783440ef1170 [0,1,0,0,0,0|1,0,1]=3 577 B21R0.1 CCCC(=O)CCCCCCCCCCCC(=O)NCCO 0ecd664e60972779ff6a12e3bab41d99 [0,1,0,0,0,0|0,0,1]=2 578 B21R0.1 CCCC(=O)CCCCCCCCCCCC(=O)NCCS 042cd512628799af44029501d441b398 [0,1,0,0,0,0|0,1,1]=3 579 B21R0.1 CCCC(O)CCCCCCCCCCCC(=O)NCC#N 0a617565b370bca81e1086e07f49902e [0,1,0,0,0,0|1,0,1]=3 580 B21R0.1 CCCC(O)CCCCCCCCCCCC(=O)NCCBr 936be03b75563b7837f0a7eb4112ce04 [0,1,0,0,0,0|1,0,0]=2 581 B21R0.1 CCCC(O)CCCCCCCCCCCC(=O)NCCF d99359cab10b213f453fbde843e8a074 [0,1,0,0,0,0|1,0,0]=2 582 B21R0.1 CCCC(O)CCCCCCCCCCCC(=O)NCCI 457f93c1b546299c9e23cb577f150458 [0,1,0,0,0,0|1,0,0]=2 583 B21R0.1 CCCC(O)CCCCCCCCCCCC(=O)NCCO 45603f8ec49c36bc96dc6f700f8111c9 [0,1,0,0,0,0|0,0,0]=1 584 B21R0.1 CCCC(O)CCCCCCCCCCCC(=O)NCCS 575c4531c529d393a45db7f147e91ce4 [0,1,0,0,0,0|0,1,0]=2 585 B21R0.1 CCCNC(=O)CCCCCCCCCCCC(=O)CCC a9c05fe1df3d7ebcef28e6d0dae19f6a [0,1,0,0,0,0|1,0,1]=3 586 B21R0.1 CCCNC(=O)CCCCCCCCCCCC(=O)OCC 1690fb7df09045906cbb65e3e3ffd639 [0,1,0,0,0,0|2,0,1]=4 587 B21R0.1 CCCNC(=O)CCCCCCCCCCCC(O)CCC b448b72fbb722b023b3f771694bfcd07 [0,1,0,0,0,0|1,0,0]=2 588 B21R0.1 CCOC(=O)CCCCCCCCCCCC(=O)NCCBr 83f1a307bcf2c9253b773542f0af7ecf [0,1,0,0,0,0|2,0,1]=4 589 B21R0.1 CCOC(=O)CCCCCCCCCCCC(=O)NCCF 692c6dda1103a2d41e31e67d4fdf9643 [0,1,0,0,0,0|2,0,1]=4 590 B21R0.1 CCOC(=O)CCCCCCCCCCCC(=O)NCCI 95e0e70469483516012fa20127ac4265 [0,1,0,0,0,0|2,0,1]=4 591 B21R0.1 CCOC(=O)CCCCCCCCCCCC(=O)NCCO 5733fc19870bb32b1831c8c67f347fa9 [0,1,0,0,0,0|1,0,1]=3 592 B21R0.1 CCOC(=O)CCCCCCCCCCCC(=O)NCCS 404526a0549594bd2e3811b372248aa8 [0,1,0,0,0,0|1,1,1]=4 593 B21R0.1 CCOC(=O)CCCCCCCCCNCC(=O)NCCO 275a9d0ca4326dcfaa7a43ec1de8b1ab [0,1,0,0,0,0|2,0,1]=4 594 B21R0.2971 C#CCCCC(=O)NCCCCCCCCCCCCCC 8e347950015134848703e047c8d2e001 [0,1,0,0,0,0|3,0,0]=4 595 B21R0.2971 C#CCCCCCCCCCCCCCC(=O)NCCC#C df164caf6a9fd4df712de600757e4dea [0,1,0,0,0,0|1,0,2]=4 596 B21R0.2971 C#CCCCCCCCCCCCCCC(=O)NCCC#N 1e9161988beffb902171b3b7c661fc43 [0,1,0,0,0,0|1,0,2]=4 597 B21R0.2971 C#CCCCCCCCCCCCCCC(=O)NCCC=C e4b7b575da48a80a3bc1860923064511 [0,1,0,0,0,0|1,0,2]=4 598 B21R0.2971 C#CCCCCCCCCCCCCCC(=O)NCCCC 23e33bb504cc08913e1ab1d7e7c060cc [0,1,0,0,0,0|1,0,2]=4 599 B21R0.2971 C#CCCCCCCCCCCCCCC(=O)NCCCCl bfe302c1d44fdad5cb9a9505644aa143 [0,1,0,0,0,0|1,0,2]=4 600 B21R0.2971 C#CCCCCCCCCCCCCCC(=O)NCCCO 51c9d8484e4b16898ed5c212aa9bbc8f [0,1,0,0,0,0|0,0,2]=3 601 B21R0.2971 C#CCCCCCCCCCCCCCC(=O)NCCOC 495677ff7facfaab6a74113373c19627 [0,1,0,0,0,0|0,0,2]=3 602 B21R0.2971 C#CCCCCCCCCCCCCCC(=O)NCCON 76c5b1471d930b70bf1d58c3ff249991 [0,1,0,0,0,0|0,0,2]=3 603 B21R0.2971 C#CCCCCCCCCCCCCCC(=O)NCCSC 37c0cd2b36e0b02675d9cdc5c0754b57 [0,1,0,0,0,0|0,1,2]=4 604 B21R0.2971 C#CCCCCCCCCCCCOCC(=O)NCCOC 42e353e24381f9554c4efc1dc9d7575b [0,1,0,0,0,0|1,0,2]=4 605 B21R0.2971 C#CCCNC(=O)/C=C/CCCCCCCCCCCCC e83d7b3ccc8afbe950da2006d429b549 [0,1,0,0,0,0|1,0,2]=4 606 B21R0.2971 C#CCCNC(=O)C/C=C/CCCCCCCCCCCC d6738b167c17de6bc225aa559caa972e [0,1,0,0,0,0|1,0,2]=4 607 B21R0.2971 C#CCCNC(=O)CCCC/C=C\CCCCCCCCC 24b89ef84b2566fb321c30d63e18c17e [0,1,0,0,0,0|1,0,2]=4 608 B21R0.2971 C#CCCNC(=O)CCCCCCC/C=C/CCCCCC 73d92046b818aad19052d6d28e28d1bf [0,1,0,0,0,0|1,0,2]=4 609 B21R0.2971 C#CCCNC(=O)CCCCCCC/C=C\CCCCCC b6d7c33bf7fa067a1ff446544836f8be [0,1,0,0,0,0|1,0,2]=4 610 B21R0.2971 C#CCCNC(=O)CCCCCCCC=CCCCCCC 1391158ace66a2087c63b61d4da5872f [0,1,0,0,0,0|1,0,2]=4 611 B21R0.2971 C#CCCNC(=O)CCCCCCCCCCCCCC=C e577dd13f2639accb8e56370940e9ef4 [0,1,0,0,0,0|1,0,2]=4 612 B21R0.2971 C#CCCNC(=O)CCCCCCCCCCCCCC=O 5b88c086c31da64ccb11d335843820e2 [0,1,0,0,0,0|2,0,1]=4 613 B21R0.2971 C#CCCNC(=O)CCCCCCCCCCCCCCC 09bd3a2550142b34deb3abe3105256d6 [0,1,0,0,0,0|1,0,0]=2 614 B21R0.2971 C#CCCNC(=O)CCCCCCCCCCCCCCO d305ac14f9b2398c131147769e1e28df [0,1,0,0,0,0|2,0,0]=3 615 B21R0.2971 C#CCCNC(=O)CCSCCCCCCCCCCCC 41ed2e5616212d18d0fc64af399e91e3 [0,1,0,0,0,0|2,0,0]=3 616 B21R0.2971 C#CCCNC(=O)NCCCCCCCCCCCCCC fcd05c87becf4521b66cd084a73cf7aa [0,1,0,0,0,0|2,0,0]=3 617 B21R0.2971 C#CCCNC(=O)NCCCCCCCCCCCCCO 8f29a48bd4fdb99ce98b30c2c1f0d0db [0,1,0,0,0,0|3,0,0]=4 618 B21R0.2971 C#CCCNC(=S)NCCCCCCCCCCCCCC 2ede404702d538749c463fe090ee4acb [0,1,0,0,0,0|2,1,0]=4 619 B21R0.2971 C=CCCCCCCCCCCCCCC(=O)NCCC#N e2f88f146613e779e3c631176d241b6f [0,1,0,0,0,0|1,0,2]=4 620 B21R0.2971 C=CCCCCCCCCCCCCCC(=O)NCCC=C 390eb22d4f18728ebc799c8f8752258c [0,1,0,0,0,0|1,0,2]=4 621 B21R0.2971 C=CCCCCCCCCCCCCCC(=O)NCCCCl b08446728d541559dd725f4c0ab65cfe [0,1,0,0,0,0|1,0,2]=4 622 B21R0.2971 C=CCCCCCCCCCCCCCC(=O)NCCCO 3ce618c95588c73ef7943016084a1cb4 [0,1,0,0,0,0|0,0,2]=3 623 B21R0.2971 C=CCCCCCCCCCCCCCC(=O)NCCOC bee8b2014dcd0f2620123ed9424da04e [0,1,0,0,0,0|0,0,2]=3 624 B21R0.2971 C=CCCCCCCCCCCCCCC(=O)NCCON 3bbbbec6698122691983f43bcf0f70eb [0,1,0,0,0,0|0,0,2]=3 625 B21R0.2971 C=CCCCCCCCCCCCCCC(=O)NCCSC ba4c0b039b0cbc732f6b6085af37b73a [0,1,0,0,0,0|0,1,2]=4 626 B21R0.2971 C=CCCCCCCCCCCCOCC(=O)NCCOC f3b8a39bcb707ae46da0389dc42132e5 [0,1,0,0,0,0|1,0,2]=4 627 B21R0.2971 C=CCCNC(=O)/C=C/CCCCCCCCCCCCC 43b9d4ce51e8994f5d3c781880aab2b9 [0,1,0,0,0,0|1,0,2]=4 628 B21R0.2971 C=CCCNC(=O)C/C=C/CCCCCCCCCCCC 20b860cfda126d0876a25c0529f73a8f [0,1,0,0,0,0|1,0,2]=4 629 B21R0.2971 C=CCCNC(=O)CCCC/C=C\CCCCCCCCC 7772b1b8c5699e2ff9a14d9be6de439d [0,1,0,0,0,0|1,0,2]=4 630 B21R0.2971 C=CCCNC(=O)CCCCCCC/C=C/CCCCCC 1d2b8308c19f54bf33f7216fa547f78b [0,1,0,0,0,0|1,0,2]=4 631 B21R0.2971 C=CCCNC(=O)CCCCCCC/C=C\CCCCCC 55f79dac846679def33af73c4e11ef84 [0,1,0,0,0,0|1,0,2]=4 632 B21R0.2971 C=CCCNC(=O)CCCCCCCC=CCCCCCC 83554fb4de81bb4d252bf8b22059e75f [0,1,0,0,0,0|1,0,2]=4 633 B21R0.2971 C=CCCNC(=O)CCCCCCCCCCCCCC=O 542b1155b24450056d1f5af9a072c1c7 [0,1,0,0,0,0|2,0,1]=4 634 B21R0.2971 C=CCCNC(=O)CCCCCCCCCCCCCCO 5145750af72215900ffd0316b30d4d9c [0,1,0,0,0,0|2,0,0]=3 635 B21R0.2971 C=CCCNC(=O)CCSCCCCCCCCCCCC a0119fe9c39bf04251b8a8e189e8516f [0,1,0,0,0,0|2,0,0]=3 636 B21R0.2971 C=CCCNC(=O)NCCCCCCCCCCCCCC 534e03933b586350e599658807e6bee1 [0,1,0,0,0,0|2,0,0]=3 637 B21R0.2971 C=CCCNC(=O)NCCCCCCCCCCCCCO ae80d98bfb9b8d71f14c2750ba69f4de [0,1,0,0,0,0|3,0,0]=4 638 B21R0.2971 C=CCCNC(=S)NCCCCCCCCCCCCCC c97e88ceeb8f8b2c8f9f220b131b5914 [0,1,0,0,0,0|2,1,0]=4 639 B21R0.2971 CC#CCNC(=O)CCCCCCCCCCCCCCC f4e06b189b04e0161a019dd281afe2da [0,1,0,0,0,0|1,0,1]=3 640 B21R0.2971 CC#CCNC(=O)CCCCCCCCCCCCCCO 6691f585df3fa342e7390fd1f10717e5 [0,1,0,0,0,0|2,0,1]=4 641 B21R0.2971 CC#CCNC(=O)CCSCCCCCCCCCCCC 7c50c3600a61d0e4880ec6e832600ba3 [0,1,0,0,0,0|2,0,1]=4 642 B21R0.2971 CC=CCNC(=O)CCCCCCCCCCCCCCO e17f62833dc4c12691bfef43f6f3fc42 [0,1,0,0,0,0|2,0,1]=4 643 B21R0.2971 CC=CCNC(=O)CCSCCCCCCCCCCCC 34e5d874bfc341ffbcb5c9a06d0f51d9 [0,1,0,0,0,0|2,0,1]=4 644 B21R0.2971 CC=CCNC(=O)NCCCCCCCCCCCCCC a94ba08fd892d0b531027b10cbc527c5 [0,1,0,0,0,0|2,0,1]=4 645 B21R0.2971 CCCC#CC(=O)NCCCCCCCCCCCCCC 1a81e9e393e8dd049c7d88276b4fc5b2 [0,1,0,0,0,0|3,0,0]=4 646 B21R0.2971 CCCCCC/C=C/CCCCCCCC(=O)NCCC#N c6ec06a465446c9dcd59e7e3fd7349fe [0,1,0,0,0,0|1,0,2]=4 647 B21R0.2971 CCCCCC/C=C/CCCCCCCC(=O)NCCCCl 4e602b37ec03352d716b23a8b42534f6 [0,1,0,0,0,0|1,0,2]=4 648 B21R0.2971 CCCCCC/C=C/CCCCCCCC(=O)NCCCO b5808d00f58a1f2bcac07b78e4a86957 [0,1,0,0,0,0|0,0,2]=3 649 B21R0.2971 CCCCCC/C=C/CCCCCCCC(=O)NCCOC c35476fafae416199f428363ed4d7fff [0,1,0,0,0,0|0,0,2]=3 650 B21R0.2971 CCCCCC/C=C/CCCCCCCC(=O)NCCON 957050cbd632090c34e7e9e90a1401ae [0,1,0,0,0,0|0,0,2]=3 651 B21R0.2971 CCCCCC/C=C/CCCCCCCC(=O)NCCSC 62c8dbfa4f4174c5e6084eed1038d284 [0,1,0,0,0,0|0,1,2]=4 652 B21R0.2971 CCCCCC/C=C\CCCCCCCC(=O)NCCC#N 147d6813bdbf49068c2926d6b3969d4d [0,1,0,0,0,0|1,0,2]=4 653 B21R0.2971 CCCCCC/C=C\CCCCCCCC(=O)NCCCCl cfd26f62b8567372089e9882a534b09d [0,1,0,0,0,0|1,0,2]=4 654 B21R0.2971 CCCCCC/C=C\CCCCCCCC(=O)NCCCO 08194534f6903f9cf52bf57181df5bd0 [0,1,0,0,0,0|0,0,2]=3 655 B21R0.2971 CCCCCC/C=C\CCCCCCCC(=O)NCCOC 496f4f5f2626d74b6ab8f2d6768b7300 [0,1,0,0,0,0|0,0,2]=3 656 B21R0.2971 CCCCCC/C=C\CCCCCCCC(=O)NCCON 5f3f24965b8962fd782f85e1b5cbbb29 [0,1,0,0,0,0|0,0,2]=3 657 B21R0.2971 CCCCCC/C=C\CCCCCCCC(=O)NCCSC 7c086b68cb17c3b0bfc960bd7ac8dde5 [0,1,0,0,0,0|0,1,2]=4 658 B21R0.2971 CCCCCCC=CCCCCCCCC(=O)NCCC#N e93f91a288e7edb0b8aa2f47c67bac81 [0,1,0,0,0,0|1,0,2]=4 659 B21R0.2971 CCCCCCC=CCCCCCCCC(=O)NCCCCl bc90c6570e8565803832888459a2e47a [0,1,0,0,0,0|1,0,2]=4 660 B21R0.2971 CCCCCCC=CCCCCCCCC(=O)NCCCO cc40352ee907dee8079483681d532d84 [0,1,0,0,0,0|0,0,2]=3 661 B21R0.2971 CCCCCCC=CCCCCCCCC(=O)NCCOC 91763bf7fb4575a1e117b44422c26113 [0,1,0,0,0,0|0,0,2]=3 662 B21R0.2971 CCCCCCC=CCCCCCCCC(=O)NCCON 360f23007cd5028be809bc3f2c91cbf1 [0,1,0,0,0,0|0,0,2]=3 663 B21R0.2971 CCCCCCC=CCCCCCCCC(=O)NCCSC 9facddcf335e853e4688e52f7c31271a [0,1,0,0,0,0|0,1,2]=4 664 B21R0.2971 CCCCCCCCC/C=C\CCCCC(=O)NCCC#N df86aa5e6da98baeea45e42bd92531d5 [0,1,0,0,0,0|1,0,2]=4 665 B21R0.2971 CCCCCCCCC/C=C\CCCCC(=O)NCCCCl bd1bbff73309045707f121a3aad78245 [0,1,0,0,0,0|1,0,2]=4 666 B21R0.2971 CCCCCCCCC/C=C\CCCCC(=O)NCCCO 2313c19247ff0c2d0ba357dcc651228b [0,1,0,0,0,0|0,0,2]=3 667 B21R0.2971 CCCCCCCCC/C=C\CCCCC(=O)NCCOC abbb2c5482433bec91a10b4a92d43ca7 [0,1,0,0,0,0|0,0,2]=3 668 B21R0.2971 CCCCCCCCC/C=C\CCCCC(=O)NCCON f431cb16f3bb84ff8ed98694da4f16e6 [0,1,0,0,0,0|0,0,2]=3 669 B21R0.2971 CCCCCCCCC/C=C\CCCCC(=O)NCCSC 0b45404fe7d915e5b4a81cf7f00d31aa [0,1,0,0,0,0|0,1,2]=4 670 B21R0.2971 CCCCCCCCCC/C=C/COCC(=O)NCCOC 453cdaba6d1ebf0400c89b6bb6d40b23 [0,1,0,0,0,0|1,0,2]=4 671 B21R0.2971 CCCCCCCCCCC#CCOCC(=O)NCCOC cb43a2c486a2554443183f8685e49f43 [0,1,0,0,0,0|1,0,2]=4 672 B21R0.2971 CCCCCCCCCCCC/C=C/CC(=O)NCCC#N 2b57d5357045baa3021053f067fa714a [0,1,0,0,0,0|1,0,2]=4 673 B21R0.2971 CCCCCCCCCCCC/C=C/CC(=O)NCCCCl a7333f1a2f6a45a72d5f5cf155651b63 [0,1,0,0,0,0|1,0,2]=4 674 B21R0.2971 CCCCCCCCCCCC/C=C/CC(=O)NCCCO e2d94e4a67ef72a51ebc161213db8a0d [0,1,0,0,0,0|0,0,2]=3 675 B21R0.2971 CCCCCCCCCCCC/C=C/CC(=O)NCCOC 6c98eade897056f3afaca6b8a07ee648 [0,1,0,0,0,0|0,0,2]=3 676 B21R0.2971 CCCCCCCCCCCC/C=C/CC(=O)NCCON 1899ba9b3abd7103c4908584c81afa8d [0,1,0,0,0,0|0,0,2]=3 677 B21R0.2971 CCCCCCCCCCCC/C=C/CC(=O)NCCSC b93825cfcaa538b1e918e1b1c194e4e6 [0,1,0,0,0,0|0,1,2]=4 678 B21R0.2971 CCCCCCCCCCCCC/C=C/C(=O)NCCC#N 37c96a55c1d23b2025a6c86a93a4d280 [0,1,0,0,0,0|1,0,2]=4 679 B21R0.2971 CCCCCCCCCCCCC/C=C/C(=O)NCCCCl 7d60401b807f24a7cefbc08ffc9fc681 [0,1,0,0,0,0|1,0,2]=4 680 B21R0.2971 CCCCCCCCCCCCC/C=C/C(=O)NCCCO bde8d2860a36a99cd91bc9594fe77824 [0,1,0,0,0,0|0,0,2]=3 681 B21R0.2971 CCCCCCCCCCCCC/C=C/C(=O)NCCOC a135523966a37f5ab0f5e81c0ea97bd2 [0,1,0,0,0,0|0,0,2]=3 682 B21R0.2971 CCCCCCCCCCCCC/C=C/C(=O)NCCON ea532cae83c9534a6795a204fed2c5ca [0,1,0,0,0,0|0,0,2]=3 683 B21R0.2971 CCCCCCCCCCCCC/C=C/C(=O)NCCSC 6e38890a723f77d9e8117332213921fe [0,1,0,0,0,0|0,1,2]=4 684 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCCC#N 63f2cbeac89790aed0b55edbc25736ab [0,1,0,0,0,0|1,0,0]=2 685 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCCCO 8548df9ea84de97aecbf759d4415842f [0,1,0,0,0,0|0,0,0]=1 686 B21R0.2971 CCCCCCCCCCCCCCCC(=O)NCCOC 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CCCCCCCCCCCOCCCC(=O)OCCCC 1cccf5dde56bc3d1d29bbcfdd1ab902d [0,1,0,0,0,0|3,0,0]=4 739 B21R0.2971 CCCCCCCCCCOCCOCC(=O)NCCC#N af0f8c2277e2cc65980fa80255911cb1 [0,1,0,0,0,0|3,0,0]=4 740 B21R0.2971 CCCCCCCCCCOCCOCC(=O)NCCCC 471604db8474cc5ad0fccb82aeb5ad65 [0,1,0,0,0,0|3,0,0]=4 741 B21R0.2971 CCCCCCCCCCOCCOCC(=O)NCCOC 62308e3d3c45dfd225640bec4336e583 [0,1,0,0,0,0|2,0,0]=3 742 B21R0.2971 CCCCCCCCCCOCCOCC(=O)OCCOC 3928aad2394cc48795fa6d3a58a48c29 [0,1,0,0,0,0|3,0,0]=4 743 B21R0.2971 CCCCCCCCCCSCCOCC(=O)NCCC#N f042daf5064fe38f5728b4c2030f6d21 [0,1,0,0,0,0|3,0,0]=4 744 B21R0.2971 CCCCCCCCCCSCCOCC(=O)NCCCC dffe6919fc9133df5dbffbc74c42a398 [0,1,0,0,0,0|3,0,0]=4 745 B21R0.2971 CCCCCCCCCCSCCOCC(=O)NCCOC 60957fdea8622af229475e9d3f7089b1 [0,1,0,0,0,0|2,0,0]=3 746 B21R0.2971 CCCCCCCCCCSCCOCC(=O)OCCOC 218bafad2b9b8fc4b5357c00057a1407 [0,1,0,0,0,0|3,0,0]=4 747 B21R0.2971 CCCCCCCCCOCCCCCC(=O)OCCOC 56c2b051a5e2ccddc207e2029e60b236 [0,1,0,0,0,0|2,0,0]=3 748 B21R0.2971 CCCCNC(=O)CCCCCCCCCCCCCC=O 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[0,1,0,0,0,0|2,1,0]=4 759 B21R0.2971 COCCOC(=O)CNCCCCCCCCCCCCO d84a34038754a006cf1bbc830632d4d7 [0,1,0,0,0,0|3,0,0]=4 760 B21R0.2971 CSCCNC(=O)CCCCCCCCCCCCCC=O a18de109c98d4454944378103639e937 [0,1,0,0,0,0|1,1,1]=4 761 B21R0.2971 CSCCNC(=O)CCCCCCCCCCCCCCO 5b24a47e27169acda903fef7fa0dc494 [0,1,0,0,0,0|1,1,0]=3 762 B21R0.2971 CSCCNC(=O)NCCCCCCCCCCCCCO d7c11314ce18d5ea1b1b7969c4d31f84 [0,1,0,0,0,0|2,1,0]=4 763 B21R0.2971 N#CCCNC(=O)CCCCCCCCCCCCCC=O c1da64df53e48bc9434ca522715d4209 [0,1,0,0,0,0|2,0,1]=4 764 B21R0.2971 N#CCCNC(=O)CCCCCCCCCCCCCCO 7aefe6b4641090113dcdfcc53d150f1d [0,1,0,0,0,0|2,0,0]=3 765 B21R0.2971 N#CCCNC(=O)CNCCCCCCCCCCCCO 26af035792c61e50c00edb9efd78502c [0,1,0,0,0,0|3,0,0]=4 766 B21R0.2971 N#CCCNC(=O)NCCCCCCCCCCCCCO c7fa9954774c11dfdf7955785db49b0d [0,1,0,0,0,0|3,0,0]=4 767 B21R0.2971 NCCCNC(=O)NCCCCCCCCCCCCCO f20d557dac463aa64a964a840aedbe21 [0,1,0,0,0,0|3,0,0]=4 768 B21R0.2971 NOCCNC(=O)CCCCCCCCCCCCCC=O 66dedcae88fe3e878ee09deea3aff0f7 [0,1,0,0,0,0|1,0,1]=3 769 B21R0.2971 NOCCNC(=O)CCCCCCCCCCCCCCO e1dc7d8d3283c353bcee78657f543470 [0,1,0,0,0,0|1,0,0]=2 770 B21R0.2971 NOCCNC(=O)NCCCCCCCCCCCCCO ac747b4a07698f63d8de643945b1583c [0,1,0,0,0,0|2,0,0]=3 771 B21R0.2971 NOCCNC(=S)NCCCCCCCCCCCCCO bcc7703fc453f6a71ec4a68ce15ab40b [0,1,0,0,0,0|2,1,0]=4 772 B21R0.2971 O=C(C#CCCO)NCCCCCCCCCCCCCO 0118605be3356c5d0dd930a750be190b [0,1,0,0,0,0|3,0,0]=4 773 B21R0.2971 O=C(CCCCCCCCCCCCCCO)NCCCCl c11ca72e4cc38081fe62f978f9768be2 [0,1,0,0,0,0|2,0,0]=3 774 B21R0.2971 O=C(CCCCCCCCCCCCCCO)NCCCO 4c99e900bdf55a292072d2e90b3ae6b6 [0,1,0,0,0,0|1,0,0]=2 775 B21R0.2971 O=C(CCCCO)NCCCCCCCCCCCCCO 65fd6cc72f52af25934e91fe645dcc28 [0,1,0,0,0,0|3,0,0]=4 776 B21R0.2971 O=C(COCCO)NCCCCCCCCCCCCCO 91360271f8bd653fac33c65f64794541 [0,1,0,0,0,0|3,0,0]=4 777 B21R0.2971 O=C(NCCCO)NCCCCCCCCCCCCCO 0716365ab17b83b62bed1cc09f101798 [0,1,0,0,0,0|2,0,0]=3 778 B21R0.2971 O=CCCCCCCCCCCCCCC(=O)NCCCCl 9a4b64e5863d4f5fb51ec1a01d4a5145 [0,1,0,0,0,0|2,0,1]=4 779 B21R0.2971 O=CCCCCCCCCCCCCCC(=O)NCCCO adf8c82f7a716d3532f489cda25bdb24 [0,1,0,0,0,0|1,0,1]=3 780 B21R0.2971 OCCCCCCCCCCCCCNC(=S)NCCCO fe52993c2f3b3f45bcf6e3b1c6cbfc9a [0,1,0,0,0,0|2,1,0]=4 781 B21R0.9301 C#CCCC(=O)CCOCCCCCCCCCCCCC 9651ab3a0d8e52ff7b36659917ddfbf6 [0,1,0,0,0,0|2,0,1]=4 782 B21R0.9301 C#CCCC(=O)NCCCCCCCCCCCCCCC 49ead19ee39b2e222a0559bd0abae9a7 [0,1,0,0,0,0|2,0,1]=4 783 B21R0.9301 C#CCCCCCCCCCCCCCCC(=O)NCC#C d1bb0bfe4b79e5074d2ef44da85cbd55 [0,1,0,0,0,0|1,0,2]=4 784 B21R0.9301 C#CCCCCCCCCCCCCCCC(=O)NCC#N 0d69ad8b06ed49ef7a17c416eecb6fa6 [0,1,0,0,0,0|1,0,2]=4 785 B21R0.9301 C#CCCCCCCCCCCCCCCC(=O)NCCBr bd380f5e2e30728c265694785d3233cf [0,1,0,0,0,0|1,0,1]=3 786 B21R0.9301 C#CCCCCCCCCCCCCCCC(=O)NCCC ad3a8e0d80188599990409cc4aaeefda [0,1,0,0,0,0|1,0,1]=3 787 B21R0.9301 C#CCCCCCCCCCCCCCCC(=O)NCCF 783d6c3d10501eb400e4b32921f23c87 [0,1,0,0,0,0|1,0,1]=3 788 B21R0.9301 C#CCCCCCCCCCCCCCCC(=O)NCCI 5a8f3c4f03645268119af9af3f1c5460 [0,1,0,0,0,0|1,0,1]=3 789 B21R0.9301 C#CCCCCCCCCCCCCCCC(=O)NCCO 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d1e1594416963fe21fe498d0c47a44dd [0,1,0,0,0,0|1,0,1]=3 800 B21R0.9301 C#CCNC(=O)CCCCCCCCCCCCCCCO ae4f2bb9f7244c41195f923ffded97d8 [0,1,0,0,0,0|1,0,1]=3 801 B21R0.9301 C#CCNC(=O)CCCCCCCCCCCCCCCS 0c05580c86fa51996139268b911c1482 [0,1,0,0,0,0|1,0,1]=3 802 B21R0.9301 C#CCNC(=O)CNCCCCCCCCCCCCCC c7fe7ce037bf71bbd9355d9a16300051 [0,1,0,0,0,0|1,0,1]=3 803 B21R0.9301 C#CCNC(=O)CNCCCCCCCCCCCCCO 4a550c790147d07919f77f958842b258 [0,1,0,0,0,0|2,0,1]=4 804 B21R0.9301 C#CCNC(=O)COCCCCCCCCCCCCCC e030a5b8dcb4572561907b5c72e32a7a [0,1,0,0,0,0|1,0,1]=3 805 B21R0.9301 C#CCNC(=O)COCCOCCCCCCCCCCC 1ce4a1bd56626faba43f9ebdb6deea38 [0,1,0,0,0,0|2,0,1]=4 806 B21R0.9301 C#CCNC(=O)CSCCCCCCCCCCCCCC e8d094d293d7b9086aa7718f2b9a2a46 [0,1,0,0,0,0|1,0,1]=3 807 B21R0.9301 C#CCNC(=O)NCCCCCCCCCCCCCCC 65957aacc40bf5ea9967140f18d9dce3 [0,1,0,0,0,0|1,0,1]=3 808 B21R0.9301 C#CCNC(=O)NCCCCCCCCCCCCCCN a75fa3cf5f816c0fecf005e9787c21e4 [0,1,0,0,0,0|2,0,1]=4 809 B21R0.9301 C#CCNC(=S)NCCCCCCCCCCCCCCC c9f6a26819ea75294f37ba7054cc050f [0,1,0,0,0,0|1,1,1]=4 810 B21R0.9301 C=CCCCCCCCCCCCCCCC(=O)NCC#N 4d505526c4351c651366ea721a989198 [0,1,0,0,0,0|1,0,2]=4 811 B21R0.9301 C=CCCCCCCCCCCCCCCC(=O)NCCF 6a2101a7460a8495fd664f2b267a0d36 [0,1,0,0,0,0|1,0,1]=3 812 B21R0.9301 C=CCCCCCCCCCCCCCCC(=O)NCCO aaec7855a969f47b0ffcb3583ea78dc9 [0,1,0,0,0,0|0,0,1]=2 813 B21R0.9301 C=CCCCCCCCCCCCCCCC(=O)NCCS 1e5419e2167deddff495ae6dd49df8a6 [0,1,0,0,0,0|0,1,1]=3 814 B21R0.9301 C=CCCCCCCCCCCCCNCC(=O)NCCC f1fd23aa779747ce21b7b76bc81a45bc [0,1,0,0,0,0|1,0,2]=4 815 B21R0.9301 C=CCCCCCCCCCCCCNCC(=O)NCCO 498500ac10a01b2686b79215d36519b6 [0,1,0,0,0,0|0,0,2]=3 816 B21R0.9301 C=CCCCCCCCCCCCCOCC(=O)NCCC 18327ac5a37da1fdf0b9df9b7dd04efa [0,1,0,0,0,0|1,0,2]=4 817 B21R0.9301 C=CCCCCCCCCCCOCCCC(=O)NCCC b340ee7698d663ff3781e73fb84250e4 [0,1,0,0,0,0|1,0,2]=4 818 B21R0.9301 C=CCNC(=O)CCNCCCCCCCCCCCCC dbdb5687bc962eca347fba1a36d40441 [0,1,0,0,0,0|1,0,1]=3 819 B21R0.9301 C=CCNC(=O)CCNCCCCCCCCCCCCO 0729ab4cb12a11a88b003f45446ed709 [0,1,0,0,0,0|2,0,1]=4 820 B21R0.9301 C=CCNC(=O)CCOCCCCCCCCCCCCC dfb42a5d3b939fa6f7d0c528388d731f [0,1,0,0,0,0|1,0,1]=3 821 B21R0.9301 C=CCNC(=O)CCOCCOCCCCCCCCCC da749d8c6db3be53ea6371981e42fe33 [0,1,0,0,0,0|2,0,1]=4 822 B21R0.9301 C=CCNC(=O)CCOCCSCCCCCCCCCC 18762440ad0ce0c20512dd11851bbe1a [0,1,0,0,0,0|2,0,1]=4 823 B21R0.9301 C=CCNC(=O)CNCCCCCCCCCCCCCC 3048e969a9b89c6cc8146fdfa14a2196 [0,1,0,0,0,0|1,0,1]=3 824 B21R0.9301 C=CCNC(=O)CNCCCCCCCCCCCCCO ae13f2f25a8b8fbd594922ad7ad49029 [0,1,0,0,0,0|2,0,1]=4 825 B21R0.9301 C=CCNC(=O)COCCCCCCCCCCCCCC 4cf7cf74af2bc894109fc6573a31e495 [0,1,0,0,0,0|1,0,1]=3 826 B21R0.9301 C=CCNC(=O)COCCOCCCCCCCCCCC b05c737af0a7561288da1a3cf5416b89 [0,1,0,0,0,0|2,0,1]=4 827 B21R0.9301 C=CCOC(=O)CCCCOCCCCCCCCCCC 21221cba86eb43e13dce38fd92dae942 [0,1,0,0,0,0|2,0,1]=4 828 B21R0.9301 C=CCOC(=O)CCCNCCCCCCCCCCCC eb85b89d46777be405426af8daa7d670 [0,1,0,0,0,0|2,0,1]=4 829 B21R0.9301 C=CCOC(=O)CCCOCCCCCCCCCCCC 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51b144eba66d6579b7830bf1264c25bc [0,1,0,0,0,0|1,0,2]=4 840 B21R0.9301 CCCC/C=C\CCCCCCCCOCC(=O)NCCC 1f666871247075a2eb3b034f4e60cb26 [0,1,0,0,0,0|1,0,2]=4 841 B21R0.9301 CCCC/C=C\CCCCCCOCCCC(=O)NCCC 0206d85cb628d370a790c5726913d459 [0,1,0,0,0,0|1,0,2]=4 842 B21R0.9301 CCCCC#CC#CCCCCCCCCC(=O)NCCO 308a6e0b2f1bb6e570c99e61af022d7e [0,1,0,0,0,0|0,0,3]=4 843 B21R0.9301 CCCCCC/C=C/CCCCCCCCC(=O)NCC#N 789c51df7312a7a206bacb1528452b33 [0,1,0,0,0,0|1,0,2]=4 844 B21R0.9301 CCCCCC/C=C/CCCCCCCCC(=O)NCCF d35970abe5d5e46eecaa26074fb042d8 [0,1,0,0,0,0|1,0,1]=3 845 B21R0.9301 CCCCCC/C=C/CCCCCCCCC(=O)NCCO 877ee7a5bbd4d7ef3a9149b6df5b3b97 [0,1,0,0,0,0|0,0,1]=2 846 B21R0.9301 CCCCCC/C=C/CCCCCCCCC(=O)NCCS ab6a061d39ae8d73d474c33f8182fa0a [0,1,0,0,0,0|0,1,1]=3 847 B21R0.9301 CCCCCC/C=C\CCCCCCCCC(=O)NCC#N 17921a898964bc3705473a5754ba048b [0,1,0,0,0,0|1,0,2]=4 848 B21R0.9301 CCCCCC/C=C\CCCCCCCCC(=O)NCCF 5ef2a2add72ccaa33177bab8111930dc [0,1,0,0,0,0|1,0,1]=3 849 B21R0.9301 CCCCCC/C=C\CCCCCCCCC(=O)NCCO ce89ed2b01c18a0a3af6e8ff3749889c [0,1,0,0,0,0|0,0,1]=2 850 B21R0.9301 CCCCCC/C=C\CCCCCCCCC(=O)NCCS e113ef512fae5b877b2932d823c983fc [0,1,0,0,0,0|0,1,1]=3 851 B21R0.9301 CCCCCC/C=C\CCCCCCOCC(=O)NCCC 3e8dd78afa894f0c2044601e5a83c782 [0,1,0,0,0,0|1,0,2]=4 852 B21R0.9301 CCCCCC/C=C\CCCCOCCCC(=O)NCCC 6f81c67b1c754e7ae0d9f59389bfa7c1 [0,1,0,0,0,0|1,0,2]=4 853 B21R0.9301 CCCCCCCC/C=C/CCCCOCC(=O)NCCC 49bd9079d7dfe52f7b86db9e209ad850 [0,1,0,0,0,0|1,0,2]=4 854 B21R0.9301 CCCCCCCC/C=C\CCCCOCC(=O)NCCC cbbeb5a94cdd39d4dd35cf092d088784 [0,1,0,0,0,0|1,0,2]=4 855 B21R0.9301 CCCCCCCC/C=C\CCOCCCC(=O)NCCC 3e6091277abfde6bcbe97c329cc99362 [0,1,0,0,0,0|1,0,2]=4 856 B21R0.9301 CCCCCCCCC/C=C/COCCCC(=O)NCCC 36a086b3954985a7693001a3be6a1bda [0,1,0,0,0,0|1,0,2]=4 857 B21R0.9301 CCCCCCCCCC=CCOCCCC(=O)NCCC 6fdca3382ab6d32fb2de57c2b12bc0f1 [0,1,0,0,0,0|1,0,2]=4 858 B21R0.9301 CCCCCCCCCCC#CC#CCCC(=O)NCCO f1801e102f28128596a3d64cf79e0979 [0,1,0,0,0,0|0,0,3]=4 859 B21R0.9301 CCCCCCCCCCCCC#CC#CC(=O)NCCO fa4ec591956b4cfa5191f9195dc0b610 [0,1,0,0,0,0|0,0,3]=4 860 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCC#N def841f5f9a2cb7690b01b03ca1a4f74 [0,1,0,0,0,0|1,0,1]=3 861 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCCF dcb42e5b9d06631b9ffceb334cce1539 [0,1,0,0,0,0|1,0,0]=2 862 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCCO fe5d7da64a0f445a27d545ad46569cac [0,1,0,0,0,0|0,0,0]=1 863 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCCS 70d47612a073ea72f17fc2b921e0dbf9 [0,1,0,0,0,0|0,1,0]=2 864 B21R0.9301 CCCCCCCCCCCCCCCCN(C)CCCO 9bbfcc727503aefcbc59017400a7e6e5 [0,1,0,0,0,0|3,0,0]=4 865 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)/C=C/CF c30bc34a4690645b9c80d1e5c549b1bb [0,1,0,0,0,0|2,0,1]=4 866 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)/C=C/CO c349111603a822f7bf9f9f5fbd8e15a7 [0,1,0,0,0,0|1,0,1]=3 867 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)C#CCO 78d3117d88f799ae2e37705e1d706d4a [0,1,0,0,0,0|1,0,1]=3 868 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)C=CCO 7cf654d52402306c27e0022594c2d382 [0,1,0,0,0,0|1,0,1]=3 869 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)CCC#N e2aa3560af3150fe1021157be3f2a0a7 [0,1,0,0,0,0|2,0,1]=4 870 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)CCC=O f979bd7168c334e3e7a9a309645bfe00 [0,1,0,0,0,0|1,0,2]=4 871 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)CCCF b4a9a64a544366c91aaf52bfbf0ff5cf [0,1,0,0,0,0|2,0,0]=3 872 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)CCCS ebe867e2e851349b64a868e0138e44b6 [0,1,0,0,0,0|1,1,0]=3 873 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)CCOC b06fafdb807521fbcf56714d7d36048f [0,1,0,0,0,0|3,0,0]=4 874 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)CCSC 953fbef5be95c86703d7e44c32280098 [0,1,0,0,0,0|3,0,0]=4 875 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)COCC 0133448a2884f79242d3eb16c1068ace [0,1,0,0,0,0|3,0,0]=4 876 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)CSCC f865a2684ea4f4e0b7fe731f13ff47b2 [0,1,0,0,0,0|3,0,0]=4 877 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)NCC#N b2b18b703e4def0e14205c69aa75c22a [0,1,0,0,0,0|1,0,1]=3 878 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)NCCC 6330efb69773cd24e54b3989d6d665c5 [0,1,0,0,0,0|1,0,0]=2 879 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)NCCF cb85f7d028c8ffc7e479648ab4fb8c88 [0,1,0,0,0,0|1,0,0]=2 880 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)NCCN 6bfa37a5036b8a5d2efe03b37315006b [0,1,0,0,0,0|1,0,0]=2 881 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)NCCO 7fb59c3c873badc36d5b76ac9fe86ea6 [0,1,0,0,0,0|0,0,0]=1 882 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)NCCS be73367532b2e40bc151c950e2cbab10 [0,1,0,0,0,0|0,1,0]=2 883 B21R0.9301 CCCCCCCCCCCCCCCNC(=S)NCC#N 814a6e073b9dc4b2f13039b06efa51ca [0,1,0,0,0,0|1,1,1]=4 884 B21R0.9301 CCCCCCCCCCCCCCCNC(=S)NCCC eaaf4bec5dde4374e5109c3b27143583 [0,1,0,0,0,0|1,1,0]=3 885 B21R0.9301 CCCCCCCCCCCCCCCNC(=S)NCCF 282bd51c0072cc799752ea7c315c8b76 [0,1,0,0,0,0|1,1,0]=3 886 B21R0.9301 CCCCCCCCCCCCCCCNC(=S)NCCN 3e1f73a01c2d068511f094baba9979d8 [0,1,0,0,0,0|1,1,0]=3 887 B21R0.9301 CCCCCCCCCCCCCCCNC(=S)NCCO 130e8b03152d3b860285e671653e783b [0,1,0,0,0,0|0,1,0]=2 888 B21R0.9301 CCCCCCCCCCCCCCCNC(=S)NCCS 9e77ad3bb6ea310f9f9f025d1e8a98dc [0,1,0,0,0,0|0,2,0]=3 889 B21R0.9301 CCCCCCCCCCCCCCCNC(C)CCCO d5b618f6aca996d3d66437af4482559b [0,1,0,0,0,0|2,0,1]=4 890 B21R0.9301 CCCCCCCCCCCCCCCN[C@H](C)CCCO 82217feb895ce42a460b37b4c070a1fb [0,1,0,0,0,0|2,0,1]=4 891 B21R0.9301 CCCCCCCCCCCCCCNCC(=O)CCSC ed885badb60f8faedc5557c9b52938a2 [0,1,0,0,0,0|3,0,0]=4 892 B21R0.9301 CCCCCCCCCCCCCCNCC(=O)NCC#N 4961ec29f07456e74e728a9c08ed27fe [0,1,0,0,0,0|1,0,1]=3 893 B21R0.9301 CCCCCCCCCCCCCCNCC(=O)NCCC 8841bc53d2a2be47ad789a999706cfcd [0,1,0,0,0,0|1,0,0]=2 894 B21R0.9301 CCCCCCCCCCCCCCNCC(=O)NCCO 41c69aaaa2551724e72f35523c4fd5a0 [0,1,0,0,0,0|0,0,0]=1 895 B21R0.9301 CCCCCCCCCCCCCCNCC(=O)OCCC ca1d6a5dc1369e0ad1b43381d6924f98 [0,1,0,0,0,0|2,0,0]=3 896 B21R0.9301 CCCCCCCCCCCCCCNC[C@H](C)CCCO d70be21c2816749044e811dc5b282e2f [0,1,0,0,0,0|2,0,1]=4 897 B21R0.9301 CCCCCCCCCCCCCCOCC(=O)NCC#N 19e472089211aba6b342b64d3bf2b8e9 [0,1,0,0,0,0|1,0,1]=3 898 B21R0.9301 CCCCCCCCCCCCCCOCC(=O)NCCC 29376dd624e31124482fbdd65c6858a8 [0,1,0,0,0,0|1,0,0]=2 899 B21R0.9301 CCCCCCCCCCCCCCOCC(=O)OCCC 912cf9e7cb7a0f6ae6d1d2e073313069 [0,1,0,0,0,0|2,0,0]=3 900 B21R0.9301 CCCCCCCCCCCCCCSCC(=O)NCC#N d84d1fda5179dd145c148047dfc63ab0 [0,1,0,0,0,0|1,0,1]=3 901 B21R0.9301 CCCCCCCCCCCCCCSCC(=O)NCCBr c5b132cffbb0d5c0012802663a77ddd7 [0,1,0,0,0,0|1,0,0]=2 902 B21R0.9301 CCCCCCCCCCCCCCSCC(=O)NCCC d24a55c187b022ea9cf1567008882a47 [0,1,0,0,0,0|1,0,0]=2 903 B21R0.9301 CCCCCCCCCCCCCCSCC(=O)NCCF 71a7f73a75f215788298191b70886db0 [0,1,0,0,0,0|1,0,0]=2 904 B21R0.9301 CCCCCCCCCCCCCCSCC(=O)NCCI 6c604503219e0a0235cb260d171f4d08 [0,1,0,0,0,0|1,0,0]=2 905 B21R0.9301 CCCCCCCCCCCCCCSCC(=O)NCCO 0ef502059c5a7ea67d4b8775c6fd3a73 [0,1,0,0,0,0|0,0,0]=1 906 B21R0.9301 CCCCCCCCCCCCCCSCC(=O)NCCS a7669ef42dbbc25764ebc05a4f885561 [0,1,0,0,0,0|0,1,0]=2 907 B21R0.9301 CCCCCCCCCCCCCNCOC(=O)CCCC 4024386bef2914eca170fa591edd6474 [0,1,0,0,0,0|3,0,0]=4 908 B21R0.9301 CCCCCCCCCCCCCNCOC(=O)OCCC 6f7ff8594bb0fa4368e575d0fa18ec73 [0,1,0,0,0,0|3,0,0]=4 909 B21R0.9301 CCCCCCCCCCCCCOCCC(=O)OCCC 329ef0b4b2b49b4c9e250bdfd2cf59a6 [0,1,0,0,0,0|2,0,0]=3 910 B21R0.9301 CCCCCCCCCCCCCOCOC(=O)OCCC 55ab200ca9f3ed1ebc45b4f74dd8c14f [0,1,0,0,0,0|3,0,0]=4 911 B21R0.9301 CCCCCCCCCCCCNCCCC(=O)NCCC 65805fee611e1a74c9eeecb9fd271a08 [0,1,0,0,0,0|1,0,0]=2 912 B21R0.9301 CCCCCCCCCCCCOCCCC(=O)NCCC ad79c6052dcb58b93fed8f9745f76046 [0,1,0,0,0,0|1,0,0]=2 913 B21R0.9301 CCCCCCCCCCCOCCOCC(=O)NCC#N de6c8b9c7a63b6981fadd9822e89cf03 [0,1,0,0,0,0|2,0,1]=4 914 B21R0.9301 CCCCCCCCCCCOCCOCC(=O)NCCC ce21d78a6875949ac0ee70fa7c6c3798 [0,1,0,0,0,0|2,0,0]=3 915 B21R0.9301 CCCCCCCCCCCOCCOCC(=O)OCCC 0c4fe5551d539d4f19ab22875057d67a [0,1,0,0,0,0|3,0,0]=4 916 B21R0.9301 CCCCCCCCOCCCNCCCC(=O)NCCC f7ca395af9a0379414e1788fb87e22bb [0,1,0,0,0,0|2,0,0]=3 917 B21R0.9301 CCCCCCCOCCCCOCCCC(=O)NCCC 74c2b145efe670d3ec60d0eb816386a1 [0,1,0,0,0,0|2,0,0]=3 918 B21R0.9301 CCCCCCOCCOCCNCCCC(=O)NCCC 35bc2175dbb335ec9b659d6a06fa41d1 [0,1,0,0,0,0|3,0,0]=4 919 B21R0.9301 CCCCCCOCCOCCOCCCC(=O)NCCC 1edbae057977e3c32a315c2751b64cb5 [0,1,0,0,0,0|3,0,0]=4 920 B21R0.9301 CCCNC(=O)CCCCCCCCCCCCCCC=O 67c64ee753351f7f47d07c40693a9ce6 [0,1,0,0,0,0|1,0,1]=3 921 B21R0.9301 CCCNC(=O)CCCCCCCCCCCCCCCF 433826256bb9b1c9a77471994b66c375 [0,1,0,0,0,0|1,0,0]=2 922 B21R0.9301 CCCNC(=O)CCCCCCCCCCCCCCCO df387b4efd6863f102a9042068bb7262 [0,1,0,0,0,0|1,0,0]=2 923 B21R0.9301 CCCNC(=O)CCCCCCCCCCCCCCCS d1dc0c07d800fa10891ce2590d3bbb86 [0,1,0,0,0,0|1,0,0]=2 924 B21R0.9301 CCCNC(=O)CCCNCCCCCCCCCCCO f433332255d2367df6a158a7946fc196 [0,1,0,0,0,0|2,0,0]=3 925 B21R0.9301 CCCNC(=O)CCCOCCCCCCCCCCCS 6d91aecc0dca8ae9d9523aabb5a7b378 [0,1,0,0,0,0|2,0,0]=3 926 B21R0.9301 CCCNC(=O)CCCOCCCCCCCCCOCC cf65a9549fcfa22e4a45a0382428619a [0,1,0,0,0,0|2,0,0]=3 927 B21R0.9301 CCCNC(=O)CNCCCCCCCCCCCCCO 04fa4bdefd35ea2e2fca9fb3a85dc7cf [0,1,0,0,0,0|2,0,0]=3 928 B21R0.9301 CCCNC(=O)NCCCCCCCCCCCCCCN 4bda64e8a40c16fdd1f552511a7e8c99 [0,1,0,0,0,0|2,0,0]=3 929 B21R0.9301 CCCNC(=S)NCCCCCCCCCCCCCCN 36775ba1188abdc6198a8b5266d69196 [0,1,0,0,0,0|2,1,0]=4 930 B21R0.9301 CCCOC(=O)CCOCCCCCCCCCCCCS a96ff947adeed055d7579d08556d73a2 [0,1,0,0,0,0|3,0,0]=4 931 B21R0.9301 CCCOC(=O)CNCCCCCCCCCCCCCO 82d2f0f74d2763a3c1d058660275cedd [0,1,0,0,0,0|3,0,0]=4 932 B21R0.9301 CN(CCCO)CCCCCCCCCCCCCCCO 88377a752390d6dedbc8f60f8fb62ef5 [0,1,0,0,0,0|3,0,0]=4 933 B21R0.9301 COCCCCCCCCCCCCCCN(C)CCCO 04c5fcb2a0b80bdea46276892b5a4f6f [0,1,0,0,0,0|3,0,0]=4 934 B21R0.9301 N#CCNC(=O)CCCCCCCCCCCCCCC=O 1890145840f1c4e4180c24b439e6e844 [0,1,0,0,0,0|1,0,2]=4 935 B21R0.9301 N#CCNC(=O)CCCCCCCCCCCCCCCF b3eb1b247301f73f0b50be66b13568df [0,1,0,0,0,0|1,0,1]=3 936 B21R0.9301 N#CCNC(=O)CCCCCCCCCCCCCCCO f2f72f2fcd51ac6a967ed5c8b1e4de44 [0,1,0,0,0,0|1,0,1]=3 937 B21R0.9301 N#CCNC(=O)CCCCCCCCCCCCCCCS 632daf0e58df4a791bfd0f5822d50a6b [0,1,0,0,0,0|1,0,1]=3 938 B21R0.9301 N#CCNC(=O)CNCCCCCCCCCCCCCO 2dbbf388ae40915ee6d24b6f83a829d4 [0,1,0,0,0,0|2,0,1]=4 939 B21R0.9301 N#CCNC(=O)NCCCCCCCCCCCCCCN e213d37c68671fcee883501a083c241e [0,1,0,0,0,0|2,0,1]=4 940 B21R0.9301 NCCCCCCCCCCCCCCNC(=O)NCCF d0d5164f573b93a410f64e5b97f5e77a [0,1,0,0,0,0|2,0,0]=3 941 B21R0.9301 NCCCCCCCCCCCCCCNC(=O)NCCN 750f5d6f7bea7462b9554f88dbb78d92 [0,1,0,0,0,0|2,0,0]=3 942 B21R0.9301 NCCCCCCCCCCCCCCNC(=O)NCCO 5f35395f22b3a71ffef9aaf6fc4a43fc [0,1,0,0,0,0|1,0,0]=2 943 B21R0.9301 NCCCCCCCCCCCCCCNC(=O)NCCS 50e67d31215416eb0daf54b244e79741 [0,1,0,0,0,0|1,1,0]=3 944 B21R0.9301 NCCCCCCCCCCCCCCNC(=S)NCCF 5cab79a7af8c6539d1d2ea5af9b6fa99 [0,1,0,0,0,0|2,1,0]=4 945 B21R0.9301 NCCCCCCCCCCCCCCNC(=S)NCCN 2d30a5cfa5388cd0131d21c60b11d572 [0,1,0,0,0,0|2,1,0]=4 946 B21R0.9301 NCCCCCCCCCCCCCCNC(=S)NCCO cd5310d28fb82d7a64d6ccd8926b2e85 [0,1,0,0,0,0|1,1,0]=3 947 B21R0.9301 NCCCCCCCCCCCCCCNC(=S)NCCS d248587c93849c10c2a5cc7f9a267418 [0,1,0,0,0,0|1,2,0]=4 948 B21R0.9301 O=C(CCCCCCCCCCCCCCCF)NCCBr 7cbdfcf4b6f70d75e3e696a41da509be [0,1,0,0,0,0|1,0,0]=2 949 B21R0.9301 O=C(CCCCCCCCCCCCCCCF)NCCF aabb51477fbd7049db9d4be012849757 [0,1,0,0,0,0|1,0,0]=2 950 B21R0.9301 O=C(CCCCCCCCCCCCCCCF)NCCI 7354ed1c6648480685470d7bc315abee [0,1,0,0,0,0|1,0,0]=2 951 B21R0.9301 O=C(CCCCCCCCCCCCCCCF)NCCO cad3cb52be68d43d30015ba86827001b [0,1,0,0,0,0|0,0,0]=1 952 B21R0.9301 O=C(CCCCCCCCCCCCCCCF)NCCS f9ed83cd0617f35c072a44db61438ad2 [0,1,0,0,0,0|0,1,0]=2 953 B21R0.9301 O=C(CCCCCCCCCCCCCCCO)NCCBr d21a9c7088d78de679597b1078791fa0 [0,1,0,0,0,0|1,0,0]=2 954 B21R0.9301 O=C(CCCCCCCCCCCCCCCO)NCCF d05c316b9c9a9ebc828100d84374ef7f [0,1,0,0,0,0|1,0,0]=2 955 B21R0.9301 O=C(CCCCCCCCCCCCCCCO)NCCI 67cac88ca50d55846c8607a0b3665cae [0,1,0,0,0,0|1,0,0]=2 956 B21R0.9301 O=C(CCCCCCCCCCCCCCCO)NCCO 1d4f1a828af7f4cd3fc9dd847732a9e2 [0,1,0,0,0,0|0,0,0]=1 957 B21R0.9301 O=C(CCCCCCCCCCCCCCCO)NCCS 50b6b35d58ef89b6d92ff8170d1bdf2c [0,1,0,0,0,0|0,1,0]=2 958 B21R0.9301 O=C(CCCCCCCCCCCCCCCS)NCCBr da5aae0e7337cc777935419a03f6357d [0,1,0,0,0,0|1,0,0]=2 959 B21R0.9301 O=C(CCCCCCCCCCCCCCCS)NCCF 18b4e56b6ac95d588d20cefaa21bd1d8 [0,1,0,0,0,0|1,0,0]=2 960 B21R0.9301 O=C(CCCCCCCCCCCCCCCS)NCCI 63bcde69ee8a2fb1cc8e9867f4dcbd9e [0,1,0,0,0,0|1,0,0]=2 961 B21R0.9301 O=C(CCCCCCCCCCCCCCCS)NCCO 2819aad60c84ea2a28a09d71c04ee0f2 [0,1,0,0,0,0|0,0,0]=1 962 B21R0.9301 O=C(CCCCCCCCCCCCCCCS)NCCS fdd38b3957a687a080f3dbb2f82a1d79 [0,1,0,0,0,0|0,1,0]=2 963 B21R0.9301 O=C(CNCCCCCCCCCCCCCO)NCCO e02f25a15aaf46e362d965dbfac02794 [0,1,0,0,0,0|1,0,0]=2 964 B21R0.9301 O=CCCCCCCCCCCCCCCC(=O)NCCBr 832d029df95703f268922c449bedca99 [0,1,0,0,0,0|1,0,1]=3 965 B21R0.9301 O=CCCCCCCCCCCCCCCC(=O)NCCF c641c772defbb91d18a00bef7931c8bb [0,1,0,0,0,0|1,0,1]=3 966 B21R0.9301 O=CCCCCCCCCCCCCCCC(=O)NCCI dd7d1e0d89051407006077a914316abc [0,1,0,0,0,0|1,0,1]=3 967 B21R0.9301 O=CCCCCCCCCCCCCCCC(=O)NCCO 42a42106f4b264205940ca2b42f3cd43 [0,1,0,0,0,0|0,0,1]=2 968 B21R0.9301 O=CCCCCCCCCCCCCCCC(=O)NCCS 876083c41e0007b49b6f9190fc78c1f4 [0,1,0,0,0,0|0,1,1]=3 969 B21R0.10753 C#CCNC(=O)CCC(=O)CCCCCCCCCCCC 560abdb2957bc7b00e268efd8d79aa8e [0,1,0,0,0,0|1,0,2]=4 970 B21R0.10753 C#CCNC(=O)CCC(O)CCCCCCCCCCCC fc2465ff70dcc125d2fe2fcbe24dc343 [0,1,0,0,0,0|1,0,1]=3 971 B21R0.10753 C#CCNC(=O)COC(C)CCCCCCCCCCCC aca3ac018ba8c6cccdd18c2d66ccf8de [0,1,0,0,0,0|2,0,1]=4 972 B21R0.10753 C=CCNC(=O)CCN(C)CCCCCCCCCCCC 3abe4a8ab5ed92d3710a7cf5acc90ab2 [0,1,0,0,0,0|2,0,1]=4 973 B21R0.10753 C=CCNC(=O)COC(C)CCCCCCCCCCCC 19cbe99fba9d5cd86e343fceed862010 [0,1,0,0,0,0|2,0,1]=4 974 B21R0.10753 CCCCCCCCCCCCC(=O)CCC(=O)NCC#N 6d8f4552c492f1ee5ba8d7fd9f88e592 [0,1,0,0,0,0|1,0,2]=4 975 B21R0.10753 CCCCCCCCCCCCC(=O)CCC(=O)NCCBr cdc12dafe5b5558efee33911f798786b [0,1,0,0,0,0|1,0,1]=3 976 B21R0.10753 CCCCCCCCCCCCC(=O)CCC(=O)NCCC ca733b81a80d58be5ea9e107e816b4e3 [0,1,0,0,0,0|1,0,1]=3 977 B21R0.10753 CCCCCCCCCCCCC(=O)CCC(=O)NCCF a4ecd8a54d90eee4112a8f032c53670e [0,1,0,0,0,0|1,0,1]=3 978 B21R0.10753 CCCCCCCCCCCCC(=O)CCC(=O)NCCI 58472e6b4e6597e524d8da4aa1ef6efb [0,1,0,0,0,0|1,0,1]=3 979 B21R0.10753 CCCCCCCCCCCCC(=O)CCC(=O)NCCO 0873826c7472f52d31614511a642b361 [0,1,0,0,0,0|0,0,1]=2 980 B21R0.10753 CCCCCCCCCCCCC(=O)CCC(=O)NCCS 04246bc247a69950900896acc94351dd [0,1,0,0,0,0|0,1,1]=3 981 B21R0.10753 CCCCCCCCCCCCC(=O)NCC(=O)NCCC 3772bee9982d019385677f765682435b [0,1,0,0,0,0|2,0,1]=4 982 B21R0.10753 CCCCCCCCCCCCC(=O)NCC(=O)NCCO 220fc190449eef2dedd1837889ea3c64 [0,1,0,0,0,0|1,0,1]=3 983 B21R0.10753 CCCCCCCCCCCCC(C)NCC(=O)NCCC 0bebec44132ee3f15efbe209ef4eaf03 [0,1,0,0,0,0|2,0,0]=3 984 B21R0.10753 CCCCCCCCCCCCC(C)NCC(=O)NCCO 676599712c46fa5e532cdbf71e1ce337 [0,1,0,0,0,0|1,0,0]=2 985 B21R0.10753 CCCCCCCCCCCCC(C)OCC(=O)NCC#N 7c393a41f8c0100235dfd6861e7ffeac [0,1,0,0,0,0|2,0,1]=4 986 B21R0.10753 CCCCCCCCCCCCC(C)OCC(=O)NCCC 8d0816e110ce5ccac1312741b7227a0b [0,1,0,0,0,0|2,0,0]=3 987 B21R0.10753 CCCCCCCCCCCCC(C)OCC(=O)OCCC d5c8a144a7f39aeb979fc1ee7c033ac2 [0,1,0,0,0,0|3,0,0]=4 988 B21R0.10753 CCCCCCCCCCCCC(O)CCC(=O)NCC#N 1c795617ff6bc88c30448550c1a8ad58 [0,1,0,0,0,0|1,0,1]=3 989 B21R0.10753 CCCCCCCCCCCCC(O)CCC(=O)NCCC dad2d91b33662c82fd235429b6349198 [0,1,0,0,0,0|1,0,0]=2 990 B21R0.10753 CCCCCCCCCCCCC(O)CCC(=O)NCCF 8cddd1232c549602bae33b1837303da3 [0,1,0,0,0,0|1,0,0]=2 991 B21R0.10753 CCCCCCCCCCCCC(O)CCC(=O)NCCI 919bd2b1444ecd01325ec9dafd462a67 [0,1,0,0,0,0|1,0,0]=2 992 B21R0.10753 CCCCCCCCCCCCC(O)CCC(=O)NCCO 89316d28669fe9ac0cb10706d049de00 [0,1,0,0,0,0|0,0,0]=1 993 B21R0.10753 CCCCCCCCCCCCC(O)CCC(=O)NCCS 8d370f5770ef1d870fea3bc8e0df82df [0,1,0,0,0,0|0,1,0]=2 994 B21R0.10753 CCCCCCCCCCCNC(=O)CCC(=O)NCCC d571f534878b81d3152f5b46e68e52d1 [0,1,0,0,0,0|2,0,1]=4 995 B21R0.10753 CCCCCCCCCCCNC(=O)CCC(=O)NCCO fc83f9bce048b04faa04d7af4a6b488c [0,1,0,0,0,0|1,0,1]=3 996 B21R0.10753 CCCCCCCCCCCNC(=O)NCC(=O)NCCO 1bf1e379134bab78795dafd5e51a7468 [0,1,0,0,0,0|2,0,1]=4 997 B21R0.10753 CCCCCCCCCCCNC(=S)NCC(=O)NCCO 5a0a4e4d581737f1b215eddd898bef3a [0,1,0,0,0,0|2,0,1]=4 998 B21R0.10753 O=C(CCC(=O)NCCCCCCCCCCO)NCCO d24fd20ee677e05b4c44f20a6ae803b1 [0,1,0,0,0,0|2,0,1]=4 999 B21R0.10753 O=C(CCCCCCCCCCCO)NCC(=O)NCCO 6ec0687bcd703dc753ea169c8323d208 [0,1,0,0,0,0|2,0,1]=4 1000 B21R0.10753 O=C(CCCCCCCCCCCS)NCC(=O)NCCO 23d9d6ea4ce5d19cd6a75e21f1a3094a [0,1,0,0,0,0|2,0,1]=4 1001 B21R0.14977 C#CCNC(=O)CCCCCCCC(O)CCCCCCC 34a35a0d1125736cf76b37ac76126a6d [0,1,0,0,0,0|1,0,1]=3 1002 B21R0.14977 CCCCCCCC(O)CCCCCCCC(=O)NCC#N 06c2ff72fcea9da61485e9fe1407b6c7 [0,1,0,0,0,0|1,0,1]=3 1003 B21R0.14977 CCCCCCCC(O)CCCCCCCC(=O)NCCBr f265255b487ed03d8160425755aca6ce [0,1,0,0,0,0|1,0,0]=2 1004 B21R0.14977 CCCCCCCC(O)CCCCCCCC(=O)NCCC caf25afc28625895633b36b11e65fb88 [0,1,0,0,0,0|1,0,0]=2 1005 B21R0.14977 CCCCCCCC(O)CCCCCCCC(=O)NCCF 8308241d24dcb2afd61486145c1b6bb7 [0,1,0,0,0,0|1,0,0]=2 1006 B21R0.14977 CCCCCCCC(O)CCCCCCCC(=O)NCCI 50ac53462cb2641f64483107479697b2 [0,1,0,0,0,0|1,0,0]=2 1007 B21R0.14977 CCCCCCCC(O)CCCCCCCC(=O)NCCO bbdb74049b27c9973d6da31c71111032 [0,1,0,0,0,0|0,0,0]=1 1008 B21R0.14977 CCCCCCCC(O)CCCCCCCC(=O)NCCS 30258cc665773d0e0623c04025389ba0 [0,1,0,0,0,0|0,1,0]=2 1009 B21R0.16361 C#CCNC(=O)CCCCCCCCCCCCC(=O)CC 26b8f410cc6b1813f267426982b4b911 [0,1,0,0,0,0|1,0,2]=4 1010 B21R0.16361 C#CCNC(=O)CCCCCCCCCCCCC(O)CC 7b9b8a5c1f0f135b2769c9861135fbf5 [0,1,0,0,0,0|1,0,1]=3 1011 B21R0.16361 CCC(=O)CCCCCCCCCCCCC(=O)NCC#N 0e3ecd399e674731dca7090e59397fe4 [0,1,0,0,0,0|1,0,2]=4 1012 B21R0.16361 CCC(=O)CCCCCCCCCCCCC(=O)NCCBr f747642c4b123cca15eb8784d353fd12 [0,1,0,0,0,0|1,0,1]=3 1013 B21R0.16361 CCC(=O)CCCCCCCCCCCCC(=O)NCCF dd7000b6b79bf9cb470587ddcf5234cd [0,1,0,0,0,0|1,0,1]=3 1014 B21R0.16361 CCC(=O)CCCCCCCCCCCCC(=O)NCCI f802dc5e2a08bbee8e7391a166c12692 [0,1,0,0,0,0|1,0,1]=3 1015 B21R0.16361 CCC(=O)CCCCCCCCCCCCC(=O)NCCO 1ffcf3414c228716e2eaf4518f6127f9 [0,1,0,0,0,0|0,0,1]=2 1016 B21R0.16361 CCC(=O)CCCCCCCCCCCCC(=O)NCCS 4ee1d2b296aae42ebc391ed74ba9caa6 [0,1,0,0,0,0|0,1,1]=3 1017 B21R0.16361 CCC(O)CCCCCCCCCCCCC(=O)NCC#N 266796d34b9a758df30d3063503c64e8 [0,1,0,0,0,0|1,0,1]=3 1018 B21R0.16361 CCC(O)CCCCCCCCCCCCC(=O)NCCBr 8d4a8769f6b110fa571e09d667d770c9 [0,1,0,0,0,0|1,0,0]=2 1019 B21R0.16361 CCC(O)CCCCCCCCCCCCC(=O)NCCF 6984dd5d88dfd7432f5e8c04666b31fd [0,1,0,0,0,0|1,0,0]=2 1020 B21R0.16361 CCC(O)CCCCCCCCCCCCC(=O)NCCI e4e3c3d900fc0e190aba2a2eb9c0a502 [0,1,0,0,0,0|1,0,0]=2 1021 B21R0.16361 CCC(O)CCCCCCCCCCCCC(=O)NCCO 93d79c366f7fc2959a4e0dd3f9bb2709 [0,1,0,0,0,0|0,0,0]=1 1022 B21R0.16361 CCC(O)CCCCCCCCCCCCC(=O)NCCS 68edd6128adaf87fe1b57abb9f583e6e [0,1,0,0,0,0|0,1,0]=2 1023 B21R0.16361 CCCNC(=O)CCCCCCCCCCCCC(=O)CC 8824bb0b1e2c1c0194b87557e70b3075 [0,1,0,0,0,0|1,0,1]=3 1024 B21R0.16361 CCCNC(=O)CCCCCCCCCCCCC(=O)OC 730b16d0f61a83213a464033925cddc3 [0,1,0,0,0,0|2,0,1]=4 1025 B21R0.16361 CCCNC(=O)CCCCCCCCCCCCC(O)CC fde2dfdf45d393d062e9b3ed0f074261 [0,1,0,0,0,0|1,0,0]=2 1026 B21R0.16361 COC(=O)CCCCCCCCCCCCC(=O)NCCBr 4d063124085f16d1d5b53e8ddc87c654 [0,1,0,0,0,0|2,0,1]=4 1027 B21R0.16361 COC(=O)CCCCCCCCCCCCC(=O)NCCF 26218772c90c9884163e0f08441fcd5f [0,1,0,0,0,0|2,0,1]=4 1028 B21R0.16361 COC(=O)CCCCCCCCCCCCC(=O)NCCI 082b02cb896dd2dfa01d81ddcec3b9cf [0,1,0,0,0,0|2,0,1]=4 1029 B21R0.16361 COC(=O)CCCCCCCCCCCCC(=O)NCCO aafacd12c9e1e388bc6e501180a67513 [0,1,0,0,0,0|1,0,1]=3 1030 B21R0.16361 COC(=O)CCCCCCCCCCCCC(=O)NCCS ed804de714cb21b61e2db53c049f7203 [0,1,0,0,0,0|1,1,1]=4 1031 B21R0.16361 COC(=O)CCCCCCCCCCNCC(=O)NCCO 2d2f04f8e8fc62d7261d815d6fb17ef9 [0,1,0,0,0,0|2,0,1]=4 1032 B21R0.16616 C#CCNC(=O)CCCCCCCCCCCCCC(=O)C ea13e932c962777ce85e1dff65b22d05 [0,1,0,0,0,0|1,0,2]=4 1033 B21R0.16616 C#CCNC(=O)CCCCCCCCCCCCCC(C)C ba2cfbc4cc2c34baecfa61f91ee8cb1f [0,1,0,0,0,0|1,0,1]=3 1034 B21R0.16616 C#CCNC(=O)CCCCCCCCCCCCCC(C)O c23985c05c2c433fc75798b1e34bcc10 [0,1,0,0,0,0|1,0,1]=3 1035 B21R0.16616 C=CCNC(=O)CCOCCCCCCCCCCC(C)C 10027ddd4115bf23b0063c127512b1a8 [0,1,0,0,0,0|2,0,1]=4 1036 B21R0.16616 CC(=O)CCCCCCCCCCCCCC(=O)NCC#N 5c775399b6cd9888966890a0a271fced [0,1,0,0,0,0|1,0,2]=4 1037 B21R0.16616 CC(=O)CCCCCCCCCCCCCC(=O)NCCBr 53995600546cc472e8163eadeb3f41b2 [0,1,0,0,0,0|1,0,1]=3 1038 B21R0.16616 CC(=O)CCCCCCCCCCCCCC(=O)NCCF 93e9bc12186cee4287aba6027b0f3721 [0,1,0,0,0,0|1,0,1]=3 1039 B21R0.16616 CC(=O)CCCCCCCCCCCCCC(=O)NCCI aa42adce7c997cff230ae8ecf261a218 [0,1,0,0,0,0|1,0,1]=3 1040 B21R0.16616 CC(=O)CCCCCCCCCCCCCC(=O)NCCO 85aeca5bfbd6f9d4e3276738cadab3bf [0,1,0,0,0,0|0,0,1]=2 1041 B21R0.16616 CC(=O)CCCCCCCCCCCCCC(=O)NCCS 9a6b7aa6fffc1e612f6a217861e3c2f0 [0,1,0,0,0,0|0,1,1]=3 1042 B21R0.16616 CC(C)CCCCCCCCCCCCCC(=O)NCC#N 7257cfe1e88eb635eaa2f763b081d7c4 [0,1,0,0,0,0|1,0,1]=3 1043 B21R0.16616 CC(C)CCCCCCCCCCCCCC(=O)NCCF 41baf2971b3359f46f2981859747d97f [0,1,0,0,0,0|1,0,0]=2 1044 B21R0.16616 CC(C)CCCCCCCCCCCCCC(=O)NCCO 227e757681e4418a6a32ee99b567bb03 [0,1,0,0,0,0|0,0,0]=1 1045 B21R0.16616 CC(C)CCCCCCCCCCCCCC(=O)NCCS 0f1f2bd33f6b86dc81ab140e024c3f68 [0,1,0,0,0,0|0,1,0]=2 1046 B21R0.16616 CC(O)CCCCCCCCCCCCCC(=O)NCC#N 659a232a06d3f856cb9d11a98a429006 [0,1,0,0,0,0|1,0,1]=3 1047 B21R0.16616 CC(O)CCCCCCCCCCCCCC(=O)NCCBr 6975c918f9109481836efc01fd5e3b8a [0,1,0,0,0,0|1,0,0]=2 1048 B21R0.16616 CC(O)CCCCCCCCCCCCCC(=O)NCCF dfb27524f223ba713eef676b07a5a908 [0,1,0,0,0,0|1,0,0]=2 1049 B21R0.16616 CC(O)CCCCCCCCCCCCCC(=O)NCCI a4f60e778dbc8128230260296ae70859 [0,1,0,0,0,0|1,0,0]=2 1050 B21R0.16616 CC(O)CCCCCCCCCCCCCC(=O)NCCO ca3dc97d206896fe6034872b3f60bb61 [0,1,0,0,0,0|0,0,0]=1 1051 B21R0.16616 CC(O)CCCCCCCCCCCCCC(=O)NCCS b90a6c17c84690f7a0fff3f73ab3ed63 [0,1,0,0,0,0|0,1,0]=2 1052 B21R0.16616 CCCNC(=O)CCCCCCCCCCCCCC(=O)C 295e506e31721032a1faa560d71abbad [0,1,0,0,0,0|1,0,1]=3 1053 B21R0.16616 CCCNC(=O)CCCCCCCCCCCCCC(C)O 4bd1f3833136187e17b2eb3bf96ed58c [0,1,0,0,0,0|1,0,0]=2 1054 B21R0.16616 O=C(O)CCCCCCCCCCCCNC(=O)NCCO c8da1e44e0231e92f6fbbb3f84c97adb [0,1,0,0,0,0|2,0,1]=4 1055 B21R0.16616 O=C(O)CCCCCCCCCCCNCC(=O)NCCO f7185029be55aac92806049c1324ff1a [0,1,0,0,0,0|2,0,1]=4 1056 B21R0.17068 C#CCNC(=O)CCCCCCC(=O)CCCCCCCC a6a77e245d177f55c1b92d58c8e2485d [0,1,0,0,0,0|1,0,2]=4 1057 B21R0.17068 C#CCNC(=O)CCCCCCC(O)CCCCCCCC 9962b0d0ec50f4a307067c5677622634 [0,1,0,0,0,0|1,0,1]=3 1058 B21R0.17068 CCCCCCCCC(=O)CCCCCCC(=O)NCC#N d29593bc1ba1eb7597ffc9eec4b1de82 [0,1,0,0,0,0|1,0,2]=4 1059 B21R0.17068 CCCCCCCCC(=O)CCCCCCC(=O)NCCBr b19df57f1c3dbcb363520688bb5ae5ab [0,1,0,0,0,0|1,0,1]=3 1060 B21R0.17068 CCCCCCCCC(=O)CCCCCCC(=O)NCCC e64aa2926f153e19c57e547c4872ae02 [0,1,0,0,0,0|1,0,1]=3 1061 B21R0.17068 CCCCCCCCC(=O)CCCCCCC(=O)NCCF 76063e312550ac12140925d0ccc37b20 [0,1,0,0,0,0|1,0,1]=3 1062 B21R0.17068 CCCCCCCCC(=O)CCCCCCC(=O)NCCI 3c4471980dabd7fdb47191ca02dd8bfe [0,1,0,0,0,0|1,0,1]=3 1063 B21R0.17068 CCCCCCCCC(=O)CCCCCCC(=O)NCCO e7cd65f8c16594af977b932e2643a149 [0,1,0,0,0,0|0,0,1]=2 1064 B21R0.17068 CCCCCCCCC(=O)CCCCCCC(=O)NCCS 8038c1f2b67e10eccc38ba919a92cbb3 [0,1,0,0,0,0|0,1,1]=3 1065 B21R0.17068 CCCCCCCCC(O)CCCCCCC(=O)NCC#N 02291f3670fd83e7d52a3f49b921c42a [0,1,0,0,0,0|1,0,1]=3 1066 B21R0.17068 CCCCCCCCC(O)CCCCCCC(=O)NCCBr 9c8b83eb74f096a2b73ea3e482a27904 [0,1,0,0,0,0|1,0,0]=2 1067 B21R0.17068 CCCCCCCCC(O)CCCCCCC(=O)NCCC 3e58b995e564abf749b6cd3348ce5ab1 [0,1,0,0,0,0|1,0,0]=2 1068 B21R0.17068 CCCCCCCCC(O)CCCCCCC(=O)NCCF 4ac81fdce661b544cf518a375a9a7bd3 [0,1,0,0,0,0|1,0,0]=2 1069 B21R0.17068 CCCCCCCCC(O)CCCCCCC(=O)NCCI ea6786d1d67f3f5d9aeec4ad8abe67c3 [0,1,0,0,0,0|1,0,0]=2 1070 B21R0.17068 CCCCCCCCC(O)CCCCCCC(=O)NCCO 607bd3a2e0a1a3bf15d4fafc38339562 [0,1,0,0,0,0|0,0,0]=1 1071 B21R0.17068 CCCCCCCCC(O)CCCCCCC(=O)NCCS ef0f85fe4fe38502de884765da864618 [0,1,0,0,0,0|0,1,0]=2 1072 B21R0.18402 C#CCNC(=O)CC(O)CCCCCCCCCCCCC f09d6d079701045b33ae026e78e80547 [0,1,0,0,0,0|1,0,1]=3 1073 B21R0.18402 C#CCNC(=O)C[C@H](O)CCCCCCCCCCCCC 13a5f5075c2144bdfe31f46464ed3f94 [0,1,0,0,0,0|1,0,1]=3 1074 B21R0.18402 CCCCCCCCCCCCCC(O)CC(=O)NCC#N ce24c997c4ed36bd018e194a5cceb863 [0,1,0,0,0,0|1,0,1]=3 1075 B21R0.18402 CCCCCCCCCCCCCC(O)CC(=O)NCCBr 3e25b2bae5b917093a0c8976132dd99a [0,1,0,0,0,0|1,0,0]=2 1076 B21R0.18402 CCCCCCCCCCCCCC(O)CC(=O)NCCC a5e850ee5d3239309bf42481df240405 [0,1,0,0,0,0|1,0,0]=2 1077 B21R0.18402 CCCCCCCCCCCCCC(O)CC(=O)NCCF 66b3a040fb7fb766e4c5e4f6c379c8d9 [0,1,0,0,0,0|1,0,0]=2 1078 B21R0.18402 CCCCCCCCCCCCCC(O)CC(=O)NCCI 8c4d790184d483e69e9fb24c5efda7d5 [0,1,0,0,0,0|1,0,0]=2 1079 B21R0.18402 CCCCCCCCCCCCCC(O)CC(=O)NCCO 39cfe2baf129f7aaa4aec67633221407 [0,1,0,0,0,0|0,0,0]=1 1080 B21R0.18402 CCCCCCCCCCCCCC(O)CC(=O)NCCS 1507c046cb248db1a09d2ed3db9d1385 [0,1,0,0,0,0|0,1,0]=2 1081 B21R0.18402 CCCCCCCCCCCCCN(C)CC(=O)NCCC 14b20b91188e6d5cc65eacaf78ae9671 [0,1,0,0,0,0|2,0,0]=3 1082 B21R0.18402 CCCCCCCCCCCCC[C@@H](O)CC(=O)NCC#N 23129e2dc75e89b008358917986638e4 [0,1,0,0,0,0|1,0,1]=3 1083 B21R0.18402 CCCCCCCCCCCCC[C@@H](O)CC(=O)NCCBr e658a1b9b4dd62afa9eca5c156591b26 [0,1,0,0,0,0|1,0,0]=2 1084 B21R0.18402 CCCCCCCCCCCCC[C@@H](O)CC(=O)NCCC 23e6f1381e02df0e98d9927a45da0099 [0,1,0,0,0,0|1,0,0]=2 1085 B21R0.18402 CCCCCCCCCCCCC[C@@H](O)CC(=O)NCCF c6aa63e38eac7c92b8070575c5ba5a1a [0,1,0,0,0,0|1,0,0]=2 1086 B21R0.18402 CCCCCCCCCCCCC[C@@H](O)CC(=O)NCCI 2a47d29e724530137446b287df5a5e9f [0,1,0,0,0,0|1,0,0]=2 1087 B21R0.18402 CCCCCCCCCCCCC[C@@H](O)CC(=O)NCCO b9466347fe9d169854841022f589881c [0,1,0,0,0,0|0,0,0]=1 1088 B21R0.18402 CCCCCCCCCCCCC[C@@H](O)CC(=O)NCCS b06e9d3f648d7fb6c3840a0c2bae7eb0 [0,1,0,0,0,0|0,1,0]=2 1089 B21R0.18402 CCCNC(=O)CN(C)CCCCCCCCCCCCO 2ac1d5dce0c763427422d04de6e8f5e4 [0,1,0,0,0,0|3,0,0]=4 1090 B21R0.18402 CCCNC(=O)CN(C)CCCCCCCCCCCCS 2bc8f539a0fe289f8441127ef0162a97 [0,1,0,0,0,0|3,0,0]=4 1091 B21R0.21227 C#CCNC(=O)CCCCCCCCC(=O)CCCCCC 84c48c66a41629d54b3027c16941a03a [0,1,0,0,0,0|1,0,2]=4 1092 B21R0.21227 C#CCNC(=O)CCCCCCCCC(O)CCCCCC 331f2d232d251dddd4ad6a8ec03f134b [0,1,0,0,0,0|1,0,1]=3 1093 B21R0.21227 CCCCCCC(=O)CCCCCCCCC(=O)NCC#N a1249f3b5828990d7195b8a540b378ab [0,1,0,0,0,0|1,0,2]=4 1094 B21R0.21227 CCCCCCC(=O)CCCCCCCCC(=O)NCCBr 91b5b00a95f00f9814a69a228fc63086 [0,1,0,0,0,0|1,0,1]=3 1095 B21R0.21227 CCCCCCC(=O)CCCCCCCCC(=O)NCCC 41f6a53ac0999771ef5db988697a98bb [0,1,0,0,0,0|1,0,1]=3 1096 B21R0.21227 CCCCCCC(=O)CCCCCCCCC(=O)NCCF 17ec5e921a62afa526a1fd0dcb252a09 [0,1,0,0,0,0|1,0,1]=3 1097 B21R0.21227 CCCCCCC(=O)CCCCCCCCC(=O)NCCI e0b10ca7313f33fae8dc539dbffe19bd [0,1,0,0,0,0|1,0,1]=3 1098 B21R0.21227 CCCCCCC(=O)CCCCCCCCC(=O)NCCO 386b072fe6a56c24972137a484642581 [0,1,0,0,0,0|0,0,1]=2 1099 B21R0.21227 CCCCCCC(=O)CCCCCCCCC(=O)NCCS e61f4b733340a533b479454f47ba5c50 [0,1,0,0,0,0|0,1,1]=3 1100 B21R0.21227 CCCCCCC(O)CCCCCCCCC(=O)NCC#N 18faf73fe878ffa99d280fdc686f86e3 [0,1,0,0,0,0|1,0,1]=3 1101 B21R0.21227 CCCCCCC(O)CCCCCCCCC(=O)NCCBr b5f97bcaa025a8a698bdf4f04a2ca7d0 [0,1,0,0,0,0|1,0,0]=2 1102 B21R0.21227 CCCCCCC(O)CCCCCCCCC(=O)NCCC f523b005ea96b6d47b3c0db1ae91ffc8 [0,1,0,0,0,0|1,0,0]=2 1103 B21R0.21227 CCCCCCC(O)CCCCCCCCC(=O)NCCF 67f79b7f33487283a1f2a4612264dd18 [0,1,0,0,0,0|1,0,0]=2 1104 B21R0.21227 CCCCCCC(O)CCCCCCCCC(=O)NCCI ed6041c4b5ac8ba7a9c18f5d8daaaf92 [0,1,0,0,0,0|1,0,0]=2 1105 B21R0.21227 CCCCCCC(O)CCCCCCCCC(=O)NCCO 99d95f67cd9064f71cbf9d9873b728ee [0,1,0,0,0,0|0,0,0]=1 1106 B21R0.21227 CCCCCCC(O)CCCCCCCCC(=O)NCCS d06d04363f2666d16f5619b57520b859 [0,1,0,0,0,0|0,1,0]=2 1107 B21R0.21909 C#CCNC(=O)CCCCCCCCCCC(=O)CCCC acda2cc669039bf7b4fbad0b7fb020ec [0,1,0,0,0,0|1,0,2]=4 1108 B21R0.21909 C#CCNC(=O)CCCCCCCCCCC(O)CCCC 0e590243bfb9c117ad5e8d81638d0a2f [0,1,0,0,0,0|1,0,1]=3 1109 B21R0.21909 CCCCC(=O)CCCCCCCCCCC(=O)NCC#N a9349d0d490dc1f6c4a5949c6eb19384 [0,1,0,0,0,0|1,0,2]=4 1110 B21R0.21909 CCCCC(=O)CCCCCCCCCCC(=O)NCCBr 4d2d86b93146bd3c619bb09f28303399 [0,1,0,0,0,0|1,0,1]=3 1111 B21R0.21909 CCCCC(=O)CCCCCCCCCCC(=O)NCCC 5129f0e2c9cb715b06659ef8d4d63a4d [0,1,0,0,0,0|1,0,1]=3 1112 B21R0.21909 CCCCC(=O)CCCCCCCCCCC(=O)NCCF 19bfbf8d1a44719ed77a384824567724 [0,1,0,0,0,0|1,0,1]=3 1113 B21R0.21909 CCCCC(=O)CCCCCCCCCCC(=O)NCCI 20004460198da05ff998fe0ce573c879 [0,1,0,0,0,0|1,0,1]=3 1114 B21R0.21909 CCCCC(=O)CCCCCCCCCCC(=O)NCCO 703ea6ac12ebb9e8f4e6d9063026883b [0,1,0,0,0,0|0,0,1]=2 1115 B21R0.21909 CCCCC(=O)CCCCCCCCCCC(=O)NCCS d75a77216bb75a71e5a659404431767d [0,1,0,0,0,0|0,1,1]=3 1116 B21R0.21909 CCCCC(O)CCCCCCCCCCC(=O)NCC#N 6f2cb305ac197923e5ea56d5fd86c1bd [0,1,0,0,0,0|1,0,1]=3 1117 B21R0.21909 CCCCC(O)CCCCCCCCCCC(=O)NCCBr 13d117cf9d9ca6bc997c17618aa28a8c [0,1,0,0,0,0|1,0,0]=2 1118 B21R0.21909 CCCCC(O)CCCCCCCCCCC(=O)NCCC 9bd8abeb8efa8b11af36ec80fe11b29d [0,1,0,0,0,0|1,0,0]=2 1119 B21R0.21909 CCCCC(O)CCCCCCCCCCC(=O)NCCF 7bc4c455d5da5047d5a1bb9783b5ca24 [0,1,0,0,0,0|1,0,0]=2 1120 B21R0.21909 CCCCC(O)CCCCCCCCCCC(=O)NCCI fd5a88c30e69bc4db09cdaf726b9d72f [0,1,0,0,0,0|1,0,0]=2 1121 B21R0.21909 CCCCC(O)CCCCCCCCCCC(=O)NCCO 1b29d603546e242a66c7e00770c1767f [0,1,0,0,0,0|0,0,0]=1 1122 B21R0.21909 CCCCC(O)CCCCCCCCCCC(=O)NCCS 092ff820de411a2749ae9ba25bcc656d [0,1,0,0,0,0|0,1,0]=2 1123 B21R0.23343 C#CCNC(=O)CCCCCCCCCC(=O)CCCCC 2ca594b66dd6139a82cf8a7500068a8e [0,1,0,0,0,0|1,0,2]=4 1124 B21R0.23343 C#CCNC(=O)CCCCCCCCCC(O)CCCCC 90ab1fa6700ad7fb2485652de8b46eba [0,1,0,0,0,0|1,0,1]=3 1125 B21R0.23343 CCCCCC(=O)CCCCCCCCCC(=O)NCC#N 11d3a9bdba2eef4c39c9a9eac6e9f13a [0,1,0,0,0,0|1,0,2]=4 1126 B21R0.23343 CCCCCC(=O)CCCCCCCCCC(=O)NCCBr bccc83d584a70af59147b381c0672a96 [0,1,0,0,0,0|1,0,1]=3 1127 B21R0.23343 CCCCCC(=O)CCCCCCCCCC(=O)NCCC 0868b77306e6320e7ddf6833911468f1 [0,1,0,0,0,0|1,0,1]=3 1128 B21R0.23343 CCCCCC(=O)CCCCCCCCCC(=O)NCCF 898eeb3a703aecc18d096f8c08f284c5 [0,1,0,0,0,0|1,0,1]=3 1129 B21R0.23343 CCCCCC(=O)CCCCCCCCCC(=O)NCCI 56b448dc7883923d461d369e740b0ad8 [0,1,0,0,0,0|1,0,1]=3 1130 B21R0.23343 CCCCCC(=O)CCCCCCCCCC(=O)NCCO 7305fec00dd994e237926808cbfb9e57 [0,1,0,0,0,0|0,0,1]=2 1131 B21R0.23343 CCCCCC(=O)CCCCCCCCCC(=O)NCCS a93cea6e18ce02152074ea63dc14f52e [0,1,0,0,0,0|0,1,1]=3 1132 B21R0.23343 CCCCCC(O)CCCCCCCCCC(=O)NCC#N ef08f5c2bde1879e422071f8a113e9b1 [0,1,0,0,0,0|1,0,1]=3 1133 B21R0.23343 CCCCCC(O)CCCCCCCCCC(=O)NCCBr 141fd946b97c1c5856408ec78de5b2a2 [0,1,0,0,0,0|1,0,0]=2 1134 B21R0.23343 CCCCCC(O)CCCCCCCCCC(=O)NCCC 3a051a9b36bece6b34a0e68f69895387 [0,1,0,0,0,0|1,0,0]=2 1135 B21R0.23343 CCCCCC(O)CCCCCCCCCC(=O)NCCF e0a9f47e11f1f5e9900e94dfd28ecda7 [0,1,0,0,0,0|1,0,0]=2 1136 B21R0.23343 CCCCCC(O)CCCCCCCCCC(=O)NCCI 3a577bd749a1fb94b0f3807bc1d53147 [0,1,0,0,0,0|1,0,0]=2 1137 B21R0.23343 CCCCCC(O)CCCCCCCCCC(=O)NCCO f5819a6508032ccb972e41e13f8f4590 [0,1,0,0,0,0|0,0,0]=1 1138 B21R0.23343 CCCCCC(O)CCCCCCCCCC(=O)NCCS 25c2f928db40aa6c6511d74765792a49 [0,1,0,0,0,0|0,1,0]=2 1139 B21R0.25351 C#CCNC(=O)C(C)NCCCCCCCCCCCCC f395b3d988f4fae1c6f3c3b96da38bdc [0,1,0,0,0,0|2,0,1]=4 1140 B21R0.25351 C#CCNC(=O)C(C)OCCCCCCCCCCCCC 62b2b5a3985ddf5014ca57517739fc72 [0,1,0,0,0,0|2,0,1]=4 1141 B21R0.25351 C#CCNC(=O)C(F)CCCCCCCCCCCCCC 4bba2da024c06868a16afb3d4405e9c8 [0,1,0,0,0,0|1,0,1]=3 1142 B21R0.25351 C#CCNC(=O)C(O)CCCCCCCCCCCCCC e16db4272f2497c1abefbc0e7f3fdad3 [0,1,0,0,0,0|1,0,1]=3 1143 B21R0.25351 C#CCNC(=O)N(C)CCCCCCCCCCCCCC fba4fb6d8286cfeb21f89d22902c7f3e [0,1,0,0,0,0|2,0,1]=4 1144 B21R0.25351 C#CCNC(=O)[C@@H](O)CCCCCCCCCCCCCC cec2cf0c63598c7ad84358a45dd77e00 [0,1,0,0,0,0|1,0,1]=3 1145 B21R0.25351 C=CCNC(=O)C(C)NCCCCCCCCCCCCC 719c4e34e516d836b73093c430ba682a [0,1,0,0,0,0|2,0,1]=4 1146 B21R0.25351 C=CCNC(=O)C(C)OCCCCCCCCCCCCC cb98a01ec9bab1fed7cc6be53463bfa8 [0,1,0,0,0,0|2,0,1]=4 1147 B21R0.25351 CCCCCCCCCCCCCCC(F)C(=O)NCC#N 53523949cc86e7c500d960171b31a045 [0,1,0,0,0,0|1,0,1]=3 1148 B21R0.25351 CCCCCCCCCCCCCCC(F)C(=O)NCCBr 776cdf326b8f5025cd107f7fef95ced7 [0,1,0,0,0,0|1,0,0]=2 1149 B21R0.25351 CCCCCCCCCCCCCCC(F)C(=O)NCCC 7d6c4794416cbede16e7676d818993cd [0,1,0,0,0,0|1,0,0]=2 1150 B21R0.25351 CCCCCCCCCCCCCCC(F)C(=O)NCCF 2e4e1823d459130f757c1482e09e579e [0,1,0,0,0,0|1,0,0]=2 1151 B21R0.25351 CCCCCCCCCCCCCCC(F)C(=O)NCCI e3de5c674fdeed6196a54eaf734eb882 [0,1,0,0,0,0|1,0,0]=2 1152 B21R0.25351 CCCCCCCCCCCCCCC(F)C(=O)NCCO f13ed2022642eb854942e069e6f47ff6 [0,1,0,0,0,0|0,0,0]=1 1153 B21R0.25351 CCCCCCCCCCCCCCC(F)C(=O)NCCS ac979b478576a8a758d14bfa63dadc7f [0,1,0,0,0,0|0,1,0]=2 1154 B21R0.25351 CCCCCCCCCCCCCCC(O)C(=O)NCC#N 22a3df3dabb000d8738901bf8b67f13f [0,1,0,0,0,0|1,0,1]=3 1155 B21R0.25351 CCCCCCCCCCCCCCC(O)C(=O)NCCBr 225541129e2a557d0458a0fc8f7e7061 [0,1,0,0,0,0|1,0,0]=2 1156 B21R0.25351 CCCCCCCCCCCCCCC(O)C(=O)NCCC 44fa1b6e8926f70e8ce053e6e75b100f [0,1,0,0,0,0|1,0,0]=2 1157 B21R0.25351 CCCCCCCCCCCCCCC(O)C(=O)NCCF 8ba1513c9d56a54553b16602ecc686a4 [0,1,0,0,0,0|1,0,0]=2 1158 B21R0.25351 CCCCCCCCCCCCCCC(O)C(=O)NCCI 88a19e5ca04cdc1b93b56085fe8777cc [0,1,0,0,0,0|1,0,0]=2 1159 B21R0.25351 CCCCCCCCCCCCCCC(O)C(=O)NCCO f3c73891b653d42bb0e5ae2dd1e1f445 [0,1,0,0,0,0|0,0,0]=1 1160 B21R0.25351 CCCCCCCCCCCCCCC(O)C(=O)NCCS 88d92cd65cd47d199bfeac2de17d4e7c [0,1,0,0,0,0|0,1,0]=2 1161 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=O)/C=C/CO a785e6e43dba683a46564157fa75f1a8 [0,1,0,0,0,0|2,0,1]=4 1162 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=O)C#CCO aac868ccb9742361ad0ee2355cd5309e [0,1,0,0,0,0|2,0,1]=4 1163 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=O)C=CCO 07a9dd67924679d1a2abd4c20d2f922e [0,1,0,0,0,0|2,0,1]=4 1164 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=O)CCCF 66b1e938411fd635c8be20a9eebad78e [0,1,0,0,0,0|3,0,0]=4 1165 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=O)CCCS 05fb0d5f60f1c89afb331802f4ae600a [0,1,0,0,0,0|2,1,0]=4 1166 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=O)NCC#N 95601a869bb7767fee7183746897f8ee [0,1,0,0,0,0|2,0,1]=4 1167 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=O)NCCC 17eab2b6df2f64e639a04c62357d4a37 [0,1,0,0,0,0|2,0,0]=3 1168 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=O)NCCF ca2bb550cc28508114097e272360ba22 [0,1,0,0,0,0|2,0,0]=3 1169 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=O)NCCN 5dca9b75827862766be0dfc6adce0264 [0,1,0,0,0,0|2,0,0]=3 1170 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=O)NCCO 2decd67a1264bd710af013ac65a3b024 [0,1,0,0,0,0|1,0,0]=2 1171 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=O)NCCS 37f646de9db7f255fc56bc1ac578f737 [0,1,0,0,0,0|1,1,0]=3 1172 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=S)NCCC b4f10d54d89a9c7532988a97f4858f1d [0,1,0,0,0,0|2,1,0]=4 1173 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=S)NCCF 5e62faa03e581ac5524644bb35133a47 [0,1,0,0,0,0|2,1,0]=4 1174 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=S)NCCN fc75780902826f5b23978eeb460236b6 [0,1,0,0,0,0|2,1,0]=4 1175 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=S)NCCO cbffa93e793022b563735ce1e6392167 [0,1,0,0,0,0|1,1,0]=3 1176 B21R0.25351 CCCCCCCCCCCCCCN(C)C(=S)NCCS 10a93734a1b490e95b2141213e39115b [0,1,0,0,0,0|1,2,0]=4 1177 B21R0.25351 CCCCCCCCCCCCCC[C@H](O)C(=O)NCC#N c42a7beab9860cecb173b416d5459e84 [0,1,0,0,0,0|1,0,1]=3 1178 B21R0.25351 CCCCCCCCCCCCCC[C@H](O)C(=O)NCCBr dd038dbf94202f6b63fbef2e83b3ff95 [0,1,0,0,0,0|1,0,0]=2 1179 B21R0.25351 CCCCCCCCCCCCCC[C@H](O)C(=O)NCCC d87bbda2e7256d9fd51c2bf43bc55f60 [0,1,0,0,0,0|1,0,0]=2 1180 B21R0.25351 CCCCCCCCCCCCCC[C@H](O)C(=O)NCCF 8a0df95b5390203f6435f76d1aada1b6 [0,1,0,0,0,0|1,0,0]=2 1181 B21R0.25351 CCCCCCCCCCCCCC[C@H](O)C(=O)NCCI 1c5ff6e4f5b23d2eeedc38977ba96a0e [0,1,0,0,0,0|1,0,0]=2 1182 B21R0.25351 CCCCCCCCCCCCCC[C@H](O)C(=O)NCCO f4ffcde3ac49abd35c393508f40078b1 [0,1,0,0,0,0|0,0,0]=1 1183 B21R0.25351 CCCCCCCCCCCCCC[C@H](O)C(=O)NCCS 9298047fb9852b497fcc5f57c6c6cfb1 [0,1,0,0,0,0|0,1,0]=2 1184 B21R0.25351 CCCCCCCCCCCCCNC(C)C(=O)NCCC da2f1ba40330e343934cccbfa63c6f0f [0,1,0,0,0,0|2,0,0]=3 1185 B21R0.25351 CCCCCCCCCCCCCNC(C)C(=O)OCCC 91f2f10981ba58c301f44b2c2a4fe06b [0,1,0,0,0,0|3,0,0]=4 1186 B21R0.25351 CCCCCCCCCCCCCN[C@@H](C)C(=O)OCCC ea51d7063ff823dd72fc745253d12d0b [0,1,0,0,0,0|3,0,0]=4 1187 B21R0.25351 CCCCCCCCCCCCCOC(C)C(=O)NCCC 3d1f160027e0eedffb2973f7aa4e4d70 [0,1,0,0,0,0|2,0,0]=3 1188 B21R0.25351 CCCCCCCCCCCCCOC(C)C(=O)OCCC bbd85f0f0382b31d63cd57bb5e0abddc [0,1,0,0,0,0|3,0,0]=4 1189 B21R0.25351 CCCCCCCCCCCCCO[C@@H](C)C(=O)OCCC 0f35d619fc37e8ec01526490aa92abf6 [0,1,0,0,0,0|3,0,0]=4 1190 B21R0.25351 CCCCCCCCCCOCCOC(C)C(=O)NCCC 618b912ce76ec757a1c589b6314d755c [0,1,0,0,0,0|3,0,0]=4 1191 B21R0.25351 CCCCCCCCCCSCCOC(C)C(=O)NCCC 6f2065ba3c5f601c3fa2a155967bea7a [0,1,0,0,0,0|3,0,0]=4 1192 B21R0.25351 CCCNC(=O)C(C)NCCCCCCCCCCCCO 2b4ef8e1402414152975612b9f177ed2 [0,1,0,0,0,0|3,0,0]=4 1193 B21R0.25351 CCCNC(=O)C(C)NCCCCCCCCCCCCS e2e9719dc10b5d6c4267e0db14e348e4 [0,1,0,0,0,0|3,0,0]=4 1194 B21R0.25351 CCCNC(=O)N(C)CCCCCCCCCCCCNC 274bbf3c4beaf79c24c6ca1208a638b3 [0,1,0,0,0,0|3,0,0]=4 1195 B21R0.25351 CNCCCCCCCCCCCCN(C)C(=O)NCCF f099d2a053f786d89c4c585e764de23f [0,1,0,0,0,0|3,0,0]=4 1196 B21R0.25351 CNCCCCCCCCCCCCN(C)C(=O)NCCN e672173528485f18c23f14cf0f11f22d [0,1,0,0,0,0|3,0,0]=4 1197 B21R0.25351 CNCCCCCCCCCCCCN(C)C(=O)NCCO a6e7f12a7f93372b0154d11782e7fc18 [0,1,0,0,0,0|2,0,0]=3 1198 B21R0.25351 CNCCCCCCCCCCCCN(C)C(=O)NCCS 5edc65523e9b95f423aa9c24fec8d2c8 [0,1,0,0,0,0|2,1,0]=4 1199 B21R0.25351 CNCCCCCCCCCCCCN(C)C(=S)NCCO 0b2f45c927d26d6e3dd3d1162bb99fa3 [0,1,0,0,0,0|2,1,0]=4 1200 B21R0.32237 C#CCNC(=O)CCCCCC(=O)CCCCCCCCC f15df8242e6401fc7a81c1a717a366f4 [0,1,0,0,0,0|1,0,2]=4 1201 B21R0.32237 C#CCNC(=O)CCCCCC(O)CCCCCCCCC 7f2d7dfaa77b5c5f60207983aef7cb01 [0,1,0,0,0,0|1,0,1]=3 1202 B21R0.32237 CCCCCCCCCC(=O)CCCCCC(=O)NCC#N 6df494ec18b8a496fe82ebffabfd4130 [0,1,0,0,0,0|1,0,2]=4 1203 B21R0.32237 CCCCCCCCCC(=O)CCCCCC(=O)NCCBr 58387754f3138c719845d7fee9dfc83e [0,1,0,0,0,0|1,0,1]=3 1204 B21R0.32237 CCCCCCCCCC(=O)CCCCCC(=O)NCCC af35554109e1f244ee617215c2d7a8f6 [0,1,0,0,0,0|1,0,1]=3 1205 B21R0.32237 CCCCCCCCCC(=O)CCCCCC(=O)NCCF 3f2fb6119c7a2ae7b05038bbe3bb0843 [0,1,0,0,0,0|1,0,1]=3 1206 B21R0.32237 CCCCCCCCCC(=O)CCCCCC(=O)NCCI 0b2ac478aa422481adb49f4c6dbbb758 [0,1,0,0,0,0|1,0,1]=3 1207 B21R0.32237 CCCCCCCCCC(=O)CCCCCC(=O)NCCO ec32d437ae0680235496e3e152c6446b [0,1,0,0,0,0|0,0,1]=2 1208 B21R0.32237 CCCCCCCCCC(=O)CCCCCC(=O)NCCS c228e4fee8ddca519ef32417b417289d [0,1,0,0,0,0|0,1,1]=3 1209 B21R0.32237 CCCCCCCCCC(C)COCCCC(=O)NCCC 1f8fb17edd96ac8938ec903498996e61 [0,1,0,0,0,0|2,0,0]=3 1210 B21R0.32237 CCCCCCCCCC(O)CCCCCC(=O)NCC#N 14d16747353887753930f7004bf9c85d [0,1,0,0,0,0|1,0,1]=3 1211 B21R0.32237 CCCCCCCCCC(O)CCCCCC(=O)NCCBr 6215f7bd10d48f6228cd8e6eed468503 [0,1,0,0,0,0|1,0,0]=2 1212 B21R0.32237 CCCCCCCCCC(O)CCCCCC(=O)NCCC f39d697e437ddf0c5162e2b8b35c7a1b [0,1,0,0,0,0|1,0,0]=2 1213 B21R0.32237 CCCCCCCCCC(O)CCCCCC(=O)NCCF 884934abcb2315640f5dbc0c8ed5231f [0,1,0,0,0,0|1,0,0]=2 1214 B21R0.32237 CCCCCCCCCC(O)CCCCCC(=O)NCCI 85b69ac70b246fa1ed862d169379824f [0,1,0,0,0,0|1,0,0]=2 1215 B21R0.32237 CCCCCCCCCC(O)CCCCCC(=O)NCCO 45ea53adda74ea336dbb54f657265478 [0,1,0,0,0,0|0,0,0]=1 1216 B21R0.32237 CCCCCCCCCC(O)CCCCCC(=O)NCCS 563eb39f04a2a845eaf4ace504f2999e [0,1,0,0,0,0|0,1,0]=2 1217 B21R0.36305 C#CCNC(=O)CCCC(=O)CCCCCCCCCCC 863a0f0f6dab9b2113878a1b5cf661fa [0,1,0,0,0,0|1,0,2]=4 1218 B21R0.36305 C#CCNC(=O)CCCC(O)CCCCCCCCCCC 9b71deec1b2a7f3ac55ba6947df5decc [0,1,0,0,0,0|1,0,1]=3 1219 B21R0.36305 C=CCNC(=O)CCOC(C)CCCCCCCCCCC f3008de754e2dde0fad4b7d1210da26e [0,1,0,0,0,0|2,0,1]=4 1220 B21R0.36305 CCCCCCCCCCCC(=O)CCCC(=O)NCC#N ede430d1f6d17123e339c495972507a3 [0,1,0,0,0,0|1,0,2]=4 1221 B21R0.36305 CCCCCCCCCCCC(=O)CCCC(=O)NCCBr 472f3fa130a8a0a19f9e85c2d92c54ae [0,1,0,0,0,0|1,0,1]=3 1222 B21R0.36305 CCCCCCCCCCCC(=O)CCCC(=O)NCCC 3fd37f81b77b7b8ec57e0bf9db77cd5e [0,1,0,0,0,0|1,0,1]=3 1223 B21R0.36305 CCCCCCCCCCCC(=O)CCCC(=O)NCCF 46e0c5cb3204090432ef3113628e864b [0,1,0,0,0,0|1,0,1]=3 1224 B21R0.36305 CCCCCCCCCCCC(=O)CCCC(=O)NCCI e5f882c4b62af790bb5ed2cfe540ed78 [0,1,0,0,0,0|1,0,1]=3 1225 B21R0.36305 CCCCCCCCCCCC(=O)CCCC(=O)NCCO cbfd736426ed6d6504688e37c16c0820 [0,1,0,0,0,0|0,0,1]=2 1226 B21R0.36305 CCCCCCCCCCCC(=O)CCCC(=O)NCCS 9dd81ab6ab16293af8b5e93a09959eec [0,1,0,0,0,0|0,1,1]=3 1227 B21R0.36305 CCCCCCCCCCCC(O)CCCC(=O)NCC#N 475025615750ed6e73562d7fa752a90f [0,1,0,0,0,0|1,0,1]=3 1228 B21R0.36305 CCCCCCCCCCCC(O)CCCC(=O)NCCBr 8828279d1a6b865701e8161d6e824562 [0,1,0,0,0,0|1,0,0]=2 1229 B21R0.36305 CCCCCCCCCCCC(O)CCCC(=O)NCCC fb4ee6f3ea1479ba6334e13ebdb1714b [0,1,0,0,0,0|1,0,0]=2 1230 B21R0.36305 CCCCCCCCCCCC(O)CCCC(=O)NCCF 151c6d221484f7caf9f67c598716eb90 [0,1,0,0,0,0|1,0,0]=2 1231 B21R0.36305 CCCCCCCCCCCC(O)CCCC(=O)NCCI d839709b746b17474159c1e33dd8812f [0,1,0,0,0,0|1,0,0]=2 1232 B21R0.36305 CCCCCCCCCCCC(O)CCCC(=O)NCCO 344aba8da07b8269dbf2cc410f757359 [0,1,0,0,0,0|0,0,0]=1 1233 B21R0.36305 CCCCCCCCCCCC(O)CCCC(=O)NCCS e78d175fa7b858d03d75bce72578df3e [0,1,0,0,0,0|0,1,0]=2 1234 B21R0.36305 CCCCCCCCCCNC(=O)CCCC(=O)NCCC f35c4548274408f6f906c0bea8dc9db5 [0,1,0,0,0,0|2,0,1]=4 1235 B21R0.36305 CCCCCCCCCCOC(=O)CNCC(=O)NCCO c0ed374460aedf4abc6d4067b35464c6 [0,1,0,0,0,0|2,0,1]=4 1236 B21R0.36391 CCCCCCCCCCCCCCCN(CC)CCCO 4bad0ce15008c7c8edd9d02b70b4f666 [0,1,0,0,0,0|3,0,0]=4 1237 B21R0.36393 C#CC(C)NC(=O)CCCCCCCCCCCCCCC f0440d619d3f88555a7660fa27166dd7 [0,1,0,0,0,0|1,0,1]=3 1238 B21R0.36393 C#CC(C)NC(=O)CCCCCCCCCCCCCCO 9bb7ba608afd171c06edf5d5b6be9443 [0,1,0,0,0,0|2,0,1]=4 1239 B21R0.36393 C#CC(C)NC(=O)CCSCCCCCCCCCCCC 81bd4d796b6aabd3e08c924541fcba04 [0,1,0,0,0,0|2,0,1]=4 1240 B21R0.36393 C#CC(C)NC(=O)NCCCCCCCCCCCCCC df2bfa666d6216fb476097c1b4b03522 [0,1,0,0,0,0|2,0,1]=4 1241 B21R0.36393 C#CCCCCCCCCCCCCCC(=O)NC(C)CC acf81dcc8c2989c29521d5954c3287ec [0,1,0,0,0,0|1,0,2]=4 1242 B21R0.36393 C#CCCCCCCCCCCCCCC(=O)NC(C)CO c98a26f91dc72d82c9de7d870973f551 [0,1,0,0,0,0|0,0,2]=3 1243 B21R0.36393 C#CCCCCCCCCCCCCCC(=O)N[C@@H](C)CC b702c04baf346195fb8bc3bb4512b373 [0,1,0,0,0,0|1,0,2]=4 1244 B21R0.36393 C#CCCCCCCCCCCCCCC(=O)N[C@@H](C)CO 576d4bbd2895dd0212056238ab6c9558 [0,1,0,0,0,0|0,0,2]=3 1245 B21R0.36393 C#CCCCCCCCCCCCCCC(=O)N[C@H](C)CC e386f89f8c21599e734656d96b39c281 [0,1,0,0,0,0|1,0,2]=4 1246 B21R0.36393 C#CCCCCCCCCCCCCCC(=O)N[C@H](C)CO abd549ee8215c1bc8ebbc4d497482006 [0,1,0,0,0,0|0,0,2]=3 1247 B21R0.36393 C#C[C@@H](C)NC(=O)CCCCCCCCCCCCCCC c654c625263ecef2ef3e833f29c8bb01 [0,1,0,0,0,0|1,0,1]=3 1248 B21R0.36393 C#C[C@@H](C)NC(=O)CCCCCCCCCCCCCCO 825fcd330c70b9b4f0129ddbd10afda3 [0,1,0,0,0,0|2,0,1]=4 1249 B21R0.36393 C#C[C@@H](C)NC(=O)CCSCCCCCCCCCCCC 7819c04e6d2b7bf3b1dddb68500b2580 [0,1,0,0,0,0|2,0,1]=4 1250 B21R0.36393 C#C[C@@H](C)NC(=O)NCCCCCCCCCCCCCC 367b740d2c904630c810b48440f3d2d6 [0,1,0,0,0,0|2,0,1]=4 1251 B21R0.36393 C#C[C@H](C)NC(=O)CCCCCCCCCCCCCCC ef3c5ef9a9601b1e511403e558e20009 [0,1,0,0,0,0|1,0,1]=3 1252 B21R0.36393 C#C[C@H](C)NC(=O)CCCCCCCCCCCCCCO 7a1752f63971182c80c7b49f78abbf44 [0,1,0,0,0,0|2,0,1]=4 1253 B21R0.36393 C#C[C@H](C)NC(=O)CCSCCCCCCCCCCCC 97f7b272fad7b8f852bedf5c4e1340a9 [0,1,0,0,0,0|2,0,1]=4 1254 B21R0.36393 C#C[C@H](C)NC(=O)NCCCCCCCCCCCCCC 0efde2a7ab2c6ca5af23d28961979f3a [0,1,0,0,0,0|2,0,1]=4 1255 B21R0.36393 C=CC(C)NC(=O)CCCCCCCCCCCCCCO 510a579f2a385dd30301f50f1c918016 [0,1,0,0,0,0|2,0,1]=4 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[0,1,0,0,0,0|1,0,1]=3 1469 B21R0.36773 CCCCCCCCCCCCCNCC(=O)NCC(C)C 909237683edf9e837ce9183921a203fb [0,1,0,0,0,0|2,0,0]=3 1470 B21R0.36773 CCCCCCCCCCCCCOCC(=O)CCC(=O)O 8f16ea14cddcddf2eab9f91cd819a779 [0,1,0,0,0,0|2,0,1]=4 1471 B21R0.36773 CCCCCCCCCCCCCOCC(=O)NCC(=O)C 839ec7428efb597ccc7d5551ecff6a19 [0,1,0,0,0,0|1,0,2]=4 1472 B21R0.36773 CCCCCCCCCCCCCOCC(=O)NCC(=O)O c1b4b29c88974b325732d9fda7262b67 [0,1,0,0,0,0|1,0,1]=3 1473 B21R0.36773 CCCCCCCCCCCCCOCC(=O)NCC(C)C 2fff06642e23d720d1cec406cd3300eb [0,1,0,0,0,0|2,0,0]=3 1474 B21R0.36773 CCCCCCCCCCCCSCCC(=O)NCC(=O)C 5dee09ddbaeba07ed2712079b578ade9 [0,1,0,0,0,0|1,0,2]=4 1475 B21R0.36773 CCCCCCCCCCCCSCCC(=O)NCC(=O)N b690cc403ae32557244436504f992b7a [0,1,0,0,0,0|1,0,2]=4 1476 B21R0.36773 CCCCCCCCCCCCSCCC(=O)NCC(C)C bad677b548b04a34fe3b7f6e3b9611db [0,1,0,0,0,0|2,0,0]=3 1477 B21R0.36773 CCCCCCCCCCCCSCCC(=O)NCC(C)O 2e2153044ab127beacdf9105fa6360c9 [0,1,0,0,0,0|1,0,0]=2 1478 B21R0.36773 CCCCCCCCCCCCSCCC(=O)NCC(F)F cb96c4a5cb7fd9a286e37270cca5e2cb [0,1,0,0,0,0|2,0,0]=3 1479 B21R0.36773 CCCCCCCCCCCCSCCC(=O)NC[C@@H](C)O 9d0f6abb93ebd5d2adae34dec2841d0a [0,1,0,0,0,0|1,0,0]=2 1480 B21R0.36773 CCCCCCCCCCCCSCCC(=O)NC[C@H](C)O 8c81cf3210862161d86cdce93b0cfb2d [0,1,0,0,0,0|1,0,0]=2 1481 B21R0.36773 CCCCCCCCCCCNCCCC(=O)NCC(C)C 9d3c7d1f999a8cf0510f69826061751e [0,1,0,0,0,0|2,0,0]=3 1482 B21R0.36773 CCCCCCCCCCCOCCCC(=O)NCC(C)C 13508b9501a51ecd13ab24a7f166e44f [0,1,0,0,0,0|2,0,0]=3 1483 B21R0.36773 CCCCCCCCCCOCCOCC(=O)NCC(=O)O 5173bb7b41c21a7f16c1629cf28bcf75 [0,1,0,0,0,0|2,0,1]=4 1484 B21R0.36773 CCCCCCCCCCOCCOCC(=O)NCC(C)C f3ca026e86341a25bbf9ca0db0e25771 [0,1,0,0,0,0|3,0,0]=4 1485 B21R0.36773 CCCCCCCCCCSCCOCC(=O)NCC(=O)O 887e646d2e237098e2e631fdaf70a657 [0,1,0,0,0,0|2,0,1]=4 1486 B21R0.36773 CCCCCCCCCCSCCOCC(=O)NCC(C)C 2dfa8de31184424bea0699862652269f [0,1,0,0,0,0|3,0,0]=4 1487 B21R0.36773 CCCCCCCCOCCOCCCC(=O)NCC(C)C 6834d0905cb3c02fe0416694e2db1fee [0,1,0,0,0,0|3,0,0]=4 1488 B21R0.36773 CCCCCCCCSCCOCCCC(=O)NCC(C)C a926f0b2fda24445192863b4bd899f04 [0,1,0,0,0,0|3,0,0]=4 1489 B21R0.36773 C[C@@H](O)CNC(=O)CCCCCCCCCCCCCC=O a8020d9a61ddac8b0ff6b0b8317e1f88 [0,1,0,0,0,0|1,0,1]=3 1490 B21R0.36773 C[C@@H](O)CNC(=O)CCCCCCCCCCCCCCO f5f4bca5e3440c37ec92a1a9786e2cda [0,1,0,0,0,0|1,0,0]=2 1491 B21R0.36773 C[C@@H](O)CNC(=O)NCCCCCCCCCCCCCO b57ba575e561e99dc21239bfc0f9408e [0,1,0,0,0,0|2,0,0]=3 1492 B21R0.36773 C[C@@H](O)CNC(=S)NCCCCCCCCCCCCCO 7932c06cd92d74f7d6ae0d202eb0e14d [0,1,0,0,0,0|2,1,0]=4 1493 B21R0.36773 C[C@H](O)CNC(=O)CCCCCCCCCCCCCC=O 24a81c8cb0f6733f0fc71c41734efb6a [0,1,0,0,0,0|1,0,1]=3 1494 B21R0.36773 C[C@H](O)CNC(=O)CCCCCCCCCCCCCCO a63f73ad183d906ada070a4d9bf517ff [0,1,0,0,0,0|1,0,0]=2 1495 B21R0.36773 C[C@H](O)CNC(=O)NCCCCCCCCCCCCCO b5a7363cc8499cd074e6e08cbe1ea467 [0,1,0,0,0,0|2,0,0]=3 1496 B21R0.36773 C[C@H](O)CNC(=S)NCCCCCCCCCCCCCO 312e460d1f9b4b57e618441a76a7829b [0,1,0,0,0,0|2,1,0]=4 1497 B21R0.36773 NC(=O)CNC(=O)CCCCCCCCCCCCCCO 74511f218fd3f3c0cc6a673f380087eb [0,1,0,0,0,0|1,0,2]=4 1498 B21R0.36773 O=C(CCCCCCCCCCCCCCO)NCC(F)F 77014f053ce3b7aa7cd5344e9d7676de [0,1,0,0,0,0|2,0,0]=3 1499 B21R0.36773 O=C(NCCCCCCCCCCCCCO)NCC(F)F b67527d5f6c16ca06728fe76d7f4b0e2 [0,1,0,0,0,0|3,0,0]=4 1500 B21R0.36773 O=C(O)CNC(=O)CNCCCCCCCCCCCCO e912cf0fb612e751de3fac7d40cf7459 [0,1,0,0,0,0|2,0,1]=4 1501 B21R0.36773 O=C(O)CNC(=O)NCCCCCCCCCCCCCO c74faf6a00f3b4aec43b26d6badbedc5 [0,1,0,0,0,0|2,0,1]=4 1502 B21R0.36773 O=CCCCCCCCCCCCCCC(=O)NCC(F)F f6615291afb2acf6ff4791138ca9cbea [0,1,0,0,0,0|2,0,1]=4 1503 B21R0.443859 C#CCNC(=O)CCCCC(=O)CCCCCCCCCC 7e5e3cc0b7c5bb3835097c6b41e10ba6 [0,1,0,0,0,0|1,0,2]=4 1504 B21R0.443859 C#CCNC(=O)CCCCC(O)CCCCCCCCCC aae3f9dc05a0f37c67d9d998ce457dba [0,1,0,0,0,0|1,0,1]=3 1505 B21R0.443859 C=CCNC(=O)CCOCC(C)CCCCCCCCCC de201bd6eb3127f0523dfcacae5ac9b0 [0,1,0,0,0,0|2,0,1]=4 1506 B21R0.443859 CCCCCCCCCCC(=O)CCCCC(=O)NCC#N 90772f95da48e15c53aee5a008d43021 [0,1,0,0,0,0|1,0,2]=4 1507 B21R0.443859 CCCCCCCCCCC(=O)CCCCC(=O)NCCBr 856d1f491b8dae4abe12b16e943f4a09 [0,1,0,0,0,0|1,0,1]=3 1508 B21R0.443859 CCCCCCCCCCC(=O)CCCCC(=O)NCCC 26bdc70a21f1098eb927cf51afc81e53 [0,1,0,0,0,0|1,0,1]=3 1509 B21R0.443859 CCCCCCCCCCC(=O)CCCCC(=O)NCCF 005c1b7bf04f182a8a8c29e9c3da9e84 [0,1,0,0,0,0|1,0,1]=3 1510 B21R0.443859 CCCCCCCCCCC(=O)CCCCC(=O)NCCI 72c0784ff8f9639fa5a8b9dac89841fd [0,1,0,0,0,0|1,0,1]=3 1511 B21R0.443859 CCCCCCCCCCC(=O)CCCCC(=O)NCCO 1ca26a8733c3e2e3732c3de175894028 [0,1,0,0,0,0|0,0,1]=2 1512 B21R0.443859 CCCCCCCCCCC(=O)CCCCC(=O)NCCS a3404678a0036349d7b316bf87ba7c7a [0,1,0,0,0,0|0,1,1]=3 1513 B21R0.443859 CCCCCCCCCCC(C)OCCCC(=O)NCCC f856ba6f02af44abfed7522efc76b36a [0,1,0,0,0,0|2,0,0]=3 1514 B21R0.443859 CCCCCCCCCCC(O)CCCCC(=O)NCC#N e4d17d265599ca6e583ceef462e65601 [0,1,0,0,0,0|1,0,1]=3 1515 B21R0.443859 CCCCCCCCCCC(O)CCCCC(=O)NCCBr 554f77634515bf3a1c84ca21a752506c [0,1,0,0,0,0|1,0,0]=2 1516 B21R0.443859 CCCCCCCCCCC(O)CCCCC(=O)NCCC f547a092074f0920796aafa7cb628ab6 [0,1,0,0,0,0|1,0,0]=2 1517 B21R0.443859 CCCCCCCCCCC(O)CCCCC(=O)NCCF da52b84fac2fc932ae6a35f35ace242c [0,1,0,0,0,0|1,0,0]=2 1518 B21R0.443859 CCCCCCCCCCC(O)CCCCC(=O)NCCI 017a0d6559207116be4cc5c4d2648711 [0,1,0,0,0,0|1,0,0]=2 1519 B21R0.443859 CCCCCCCCCCC(O)CCCCC(=O)NCCO e99709d2f1f46f241bd131793e15ebb2 [0,1,0,0,0,0|0,0,0]=1 1520 B21R0.443859 CCCCCCCCCCC(O)CCCCC(=O)NCCS f6681717e34eb5233217221dd7f665b7 [0,1,0,0,0,0|0,1,0]=2 1521 B21R0.443859 CCCCCCCCCC[C@H](C)OCCCC(=O)NCCC 404264295b99254d4f6ebb0a8e958d0c [0,1,0,0,0,0|2,0,0]=3 1522 B21R0.443859 CCCCCCCCCNC(=O)CCCCC(=O)OCCO d350891ae55e83ce3ff0786616c9d760 [0,1,0,0,0,0|2,0,1]=4 1523 B21R0.443859 CCCCCCCCCOC(=O)CCCCC(=O)NCCBr 35b288ef693ea6be080811c4503e5d7d [0,1,0,0,0,0|2,0,1]=4 1524 B21R0.443859 CCCCCCCCCOC(=O)CCCCC(=O)NCCC fbd84cee9ebb2a7a47c46b3e4ac1984b [0,1,0,0,0,0|2,0,1]=4 1525 B21R0.443859 CCCCCCCCCOC(=O)CCCCC(=O)NCCF d29e84045d74671265549059c9609766 [0,1,0,0,0,0|2,0,1]=4 1526 B21R0.443859 CCCCCCCCCOC(=O)CCCCC(=O)NCCI 736c05609fed48f86b05336a34016a32 [0,1,0,0,0,0|2,0,1]=4 1527 B21R0.443859 CCCCCCCCCOC(=O)CCCCC(=O)NCCO 3fe8acf5ef25e7b25aed3ae9dc3feeb5 [0,1,0,0,0,0|1,0,1]=3 1528 B21R0.443859 CCCCCCCCCOC(=O)CCCCC(=O)NCCS f19b7dd15d256737089731724534cdaf [0,1,0,0,0,0|1,1,1]=4 1529 B21R1.7043 CCCCCCCCCCCCCCCN1CCC(C1)O faf6c4e7dd289b6720f203da130b3139 [0,0,0,1,0,0|3,0,0]=4 1530 B21R1.7043 CCCCCCCCCCCCCCCN1CC[C@@H](C1)O d9ab7d3707d91c9a0d3653c2a29b2479 [0,0,0,1,0,0|3,0,0]=4 1531 B21R1.7043 CCCCCCCCCCCCCCCN1CC[C@H](C1)O 3bf1c9305b30af123c22c9a10119d428 [0,0,0,1,0,0|3,0,0]=4 1532 B21R1.7044 CCCCCCCCCCCCCCCN1CCCOC1 5c28f21b03a73e8924327cb5ab2b434c [0,0,0,1,0,0|3,0,0]=4 1533 B21R1.7950 CCCNC(=O)CCCNCCCCCN1CCCCC1 b001d14d4dc5b1a6fc1874c209611a47 [0,0,0,1,0,0|3,0,0]=4 1534 B21R1.7950 CCCNC(=O)CCCOCCCCCN1CCCCC1 e789858da9e8b3797598f8ece26f8c32 [0,0,0,1,0,0|3,0,0]=4 1535 B21R1.7950 CCCNC(=O)CNCCCCCCCN1CCCCC1 6a3f9284244a67b3bf9ed75af155291e [0,0,0,1,0,0|3,0,0]=4 1536 B21R1.7950 O=C(CNCCCCCCOC1CCCCO1)NCCO 454c55992d469de6250ec3af7a4df551 [0,0,0,1,0,0|3,0,0]=4 1537 B21R1.11095 CCCNC(=O)CCCNCCCCCCN1CCCC1 645070195812a1e5535865ec8db4a0db [0,0,0,1,0,0|3,0,0]=4 1538 B21R1.17778 CC1CNC(=O)CN1CCCCCCCCCCCCO ab52cdaa326fdc36335880e967399c24 [0,0,0,1,0,0|3,0,0]=4 1539 B21R1.17778 CC1CNC(=O)CN1CCCCCCCCCCCCS 6fff85b9479490b7a8b9682200227eb5 [0,0,0,1,0,0|3,0,0]=4 1540 B21R1.17778 CCCCCCCCCCCCCN1CC(=O)NCC1C dd11f43bdb906254dfbfa67296572d22 [0,0,0,1,0,0|2,0,0]=3 1541 B21R1.17778 CCCCCCCCCCCCCN1CC(=O)NC[C@@H]1C 7a273257fb229f726915b874a238f688 [0,0,0,1,0,0|2,0,0]=3 1542 B21R1.17778 CCCCCCCCCCCCCN1CC(=O)NC[C@H]1C 968fd3bed5d7b72fc0cdc4a2fca679b6 [0,0,0,1,0,0|2,0,0]=3 1543 B21R1.17778 C[C@@H]1CNC(=O)CN1CCCCCCCCCCCCO 6bd0888fb5f18e297e03b284301c12b0 [0,0,0,1,0,0|3,0,0]=4 1544 B21R1.17778 C[C@@H]1CNC(=O)CN1CCCCCCCCCCCCS 35dfed94a582a114a1bc44a718f13235 [0,0,0,1,0,0|3,0,0]=4 1545 B21R1.17778 C[C@H]1CNC(=O)CN1CCCCCCCCCCCCO 76bb4dbf386986e7cdd8b96f8f1a4586 [0,0,0,1,0,0|3,0,0]=4 1546 B21R1.17778 C[C@H]1CNC(=O)CN1CCCCCCCCCCCCS 3aaef94cff0cf3987d24472e8c13668f [0,0,0,1,0,0|3,0,0]=4 1547 B21R1.19532 C#CCNC(=O)C1CCCCN1CCCCCCCCC 598f86db45b7e907686472a09d2138d1 [0,0,0,1,0,0|2,0,1]=4 1548 B21R1.19532 CCCCCCCCCN1CCCC[C@@H]1C(=O)NCCC 0aa1cda5a14d75e0349aad7fe7036b58 [0,0,0,1,0,0|2,0,0]=3 1549 B21R1.19532 CCCNC(=O)[C@H]1CCCCN1CCCCCCCCO f84da4d025833a0371b2ef5c25d5f425 [0,0,0,1,0,0|3,0,0]=4 1550 B21R1.37173 CCCCCCCCCCCCN1CCC(=O)CC1CO 9341f895a4f1ad3a02f23383024409f5 [0,0,0,1,0,0|2,0,0]=3 1551 B21R1.37173 CCCCCCCCCCCCN1CNC(=O)CC1CO d1d09ad1f47ee6e42c9c7eecbfb996ab [0,0,0,1,0,0|3,0,0]=4 1552 B21R1.37173 CCOCCCCCCCCCN1CCC(=O)CC1CO dc2fd6fe230f0b91da2aa281a24d102e [0,0,0,1,0,0|3,0,0]=4 1553 B21R1.37173 O=C1CCN(C(C1)CO)CCCCCCCCCCCO a791a15f2f4ffdc8c3dcc81904c55f32 [0,0,0,1,0,0|3,0,0]=4 1554 B21R1.37173 O=C1CCN(C(C1)CO)CCCCCCCCCCCS 9157ff8a995f20a4e828f1896ac917ac [0,0,0,1,0,0|3,0,0]=4 1555 B21R1.75630 CCCCCCCCCCCCCNC1CCCCC1=O 01b23d4004e973a85cd3da083638b671 [0,0,0,1,0,0|3,0,0]=4 1556 B21R1.75630 CCCCCCCCCCCCCNC1CCCNC1=O 9333a6df64637f7f5dca58ad602d99cc [0,0,0,1,0,0|2,0,0]=3 1557 B21R1.75630 CCCCCCCCCCCCCNC1SCCCC1=O 3b764cc72a311f285971c1d4195119b4 [0,0,0,1,0,0|2,1,0]=4 1558 B21R1.75630 CCCCCCCCCCCCCN[C@@H]1CCCNC1=O 5e1d33b84d484127b315b20b2d7e7626 [0,0,0,1,0,0|2,0,0]=3 1559 B21R1.75630 CCCCCCCCCCCCCN[C@H]1CCCNC1=O 947e88d5ec7471be3c3d7087de0c2ef8 [0,0,0,1,0,0|2,0,0]=3 1560 B21R1.75630 CCCCCCCCCCCCCOC1CCCCC1=O c511055dbfa8aff505bbbbdb1856ef5e [0,0,0,1,0,0|3,0,0]=4 1561 B21R1.75630 CCCCCCCCCCCCCOC1CCCNC1=O f2f3737dc2adb676e2e3f7870b3946f5 [0,0,0,1,0,0|2,0,0]=3 1562 B21R1.75630 CCCCCCCCCCCCCOC1CCCOC1=O 3b2a5695f97e5431b68cfa0541cf0b92 [0,0,0,1,0,0|3,0,0]=4 1563 B21R1.75630 CCCCCCCCCCCCCOC1SCCCC1=O 988e142f7c25c31293697d071a4c0be1 [0,0,0,1,0,0|2,1,0]=4 1564 B21R1.75630 CCCCCCCCCCCCCO[C@@H]1CCCNC1=O 0e8938fe17232c030335eed6dd391504 [0,0,0,1,0,0|2,0,0]=3 1565 B21R1.75630 CCCCCCCCCCCCCO[C@H]1CCCNC1=O e939b4b00b86fbca22a3a99e1509cd7c [0,0,0,1,0,0|2,0,0]=3 1566 B21R1.75630 CCCCCCCCCCCCOCC1CCCCC1=O ccabc3bc427c06862c1186687c8358ff [0,0,0,1,0,0|3,0,0]=4 1567 B21R1.75630 CCCCCCCCCCCCOCC1CCCNC1=O 939508249c24aa3b7c3cee541e719a44 [0,0,0,1,0,0|2,0,0]=3 1568 B21R1.75630 CCCCCCCCCCOCCOC1CCCNC1=O 0def20e5f02c14bc02b2fb0aef377331 [0,0,0,1,0,0|3,0,0]=4 1569 B21R1.75630 CCCCCCCCCCSCCOC1CCCNC1=O e8a48fc822129ebedfb87051acaee785 [0,0,0,1,0,0|3,0,0]=4 1570 B21R1.75630 CCOCCCCCCCCCOCC1CCCNC1=O 56d82662804847496fd1c7d526b4228c [0,0,0,1,0,0|3,0,0]=4 1571 B21R1.75630 O=C1NCCCC1COCCCCCCCCCCCS fee1f7d4a471f77e78a6993078361b2b [0,0,0,1,0,0|3,0,0]=4 1572 B21R1.75630 O=C1NCCCC1NCCCCCCCCCCCCO ad89baaac2ce2b19bab6d622b0acc963 [0,0,0,1,0,0|3,0,0]=4 1573 B21R1.75630 O=C1NCCCC1NCCCCCCCCCCCCS 4b99c0a086589caea30207acd4f5e5e6 [0,0,0,1,0,0|3,0,0]=4 1574 B21R1.75630 O=C1NCCCC1OCCCCCCCCCCCCS 74f4db11662abdc3a32275b8807f966c [0,0,0,1,0,0|3,0,0]=4 1575 B21R1.75630 O=C1NCCC[C@@H]1NCCCCCCCCCCCCO 020705940e776e4e991351efadb53b85 [0,0,0,1,0,0|3,0,0]=4 1576 B21R1.75630 O=C1NCCC[C@@H]1NCCCCCCCCCCCCS f45d01b42d26daf6106c7183677797b5 [0,0,0,1,0,0|3,0,0]=4 1577 B21R1.75630 O=C1NCCC[C@@H]1OCCCCCCCCCCCCS 81d4115c88bdf565102b4fd4ea29de42 [0,0,0,1,0,0|3,0,0]=4 1578 B21R1.75630 O=C1NCCC[C@H]1NCCCCCCCCCCCCO 1a16864d6f14462f4ba35b4a2256ce7d [0,0,0,1,0,0|3,0,0]=4 1579 B21R1.75630 O=C1NCCC[C@H]1NCCCCCCCCCCCCS 5330ec86ec6581718c977762dd8ccebe [0,0,0,1,0,0|3,0,0]=4 1580 B21R1.75630 O=C1NCCC[C@H]1OCCCCCCCCCCCCS e80f760c7394dd0047661aee88c56fd1 [0,0,0,1,0,0|3,0,0]=4 1581 B21R1.79317 CCCNC(=O)CCC1CCCCCCCCCCC1=O d1ec4bbe474aefffda48a5361b89c0d6 [0,0,0,1,0,0|2,0,1]=4 1582 B21R1.79317 O=C(CCC1CCCCCCCCCCC1=O)NCCBr 63dcc940eb76f794257b6a4a9a781ddd [0,0,0,1,0,0|2,0,1]=4 1583 B21R1.79317 O=C(CCC1CCCCCCCCCCC1=O)NCCF db5c15459805fa02f4fcf2a523cbed91 [0,0,0,1,0,0|2,0,1]=4 1584 B21R1.79317 O=C(CCC1CCCCCCCCCCC1=O)NCCI 3ab3d28cf51c8a866deb55498087e2d4 [0,0,0,1,0,0|2,0,1]=4 1585 B21R1.79317 O=C(CCC1CCCCCCCCCCC1=O)NCCO 70f8f143ca4d80bf53935c27e02cf3be [0,0,0,1,0,0|1,0,1]=3 1586 B21R1.79317 O=C(CCC1CCCCCCCCCCC1=O)NCCS b605c8b1148629a9401c70c7aa326991 [0,0,0,1,0,0|1,1,1]=4 1587 B21R1.79602 CCCNC(=O)CCCOC1CCCCCCCCCC1 c1a071357484d0037d2e5d77ad05f6ef [0,0,0,1,0,0|2,0,0]=3 1588 B21R1.80362 CCCNC(=O)CCCNCCCN1CCCCC1CC c81f69cd395f7e2750d96296a7132318 [0,0,0,1,0,0|3,0,0]=4 1589 B21R1.82075 C=CCNC(=O)CCNC1CCCCCCCCCCC1 a6927497381e98a2fc8ea423d9ec133a [0,0,0,1,0,0|2,0,1]=4 1590 B21R1.82075 C=CCNC(=O)CCOC1CCCCCCCCCCC1 9004f22b388ee0f3fd3493d99506281e [0,0,0,1,0,0|2,0,1]=4 1591 B21R1.156304 C#CCCCCCCCCCCCCCC(=O)N1CCC1 b692f60adfbe0f7e1586bfc4e2a959e7 [0,0,0,1,0,0|1,0,2]=4 1592 B21R1.156304 C=CCCCCCCCCCCCCCC(=O)N1CCC1 22fb59f20502626ac4f0e6a9934032d4 [0,0,0,1,0,0|1,0,2]=4 1593 B21R1.156304 CCCCCC/C=C/CCCCCCCC(=O)N1CCC1 f3519721930e0f873be69a7e59f2ae45 [0,0,0,1,0,0|1,0,2]=4 1594 B21R1.156304 CCCCCC/C=C\CCCCCCCC(=O)N1CCC1 76e10ee8740fbd9ae10e085c7d923824 [0,0,0,1,0,0|1,0,2]=4 1595 B21R1.156304 CCCCCCC=CCCCCCCCC(=O)N1CCC1 41af925196cab7c87ac72aad13ebe848 [0,0,0,1,0,0|1,0,2]=4 1596 B21R1.156304 CCCCCCCCC/C=C\CCCCC(=O)N1CCC1 597696bdf04efb2719370ac54de9d4a6 [0,0,0,1,0,0|1,0,2]=4 1597 B21R1.156304 CCCCCCCCCCCC/C=C/CC(=O)N1CCC1 08521fe4495615c2971fbb3be5e33319 [0,0,0,1,0,0|1,0,2]=4 1598 B21R1.156304 CCCCCCCCCCCCC/C=C/C(=O)N1CCC1 dc7323a478345947a609e8f614113e54 [0,0,0,1,0,0|1,0,2]=4 1599 B21R1.156304 CCCCCCCCCCCCCCCC(=O)N1CCC1 ef5c1c8e5863cdf3f0ea689866ca4aec [0,0,0,1,0,0|1,0,0]=2 1600 B21R1.156304 CCCCCCCCCCCCCCNC(=O)C1=CCC1 e70664f039282e6650c1e89a44ea2b84 [0,0,0,1,0,0|3,0,0]=4 1601 B21R1.156304 CCCCCCCCCCCCCCNC(=O)C1CCO1 6b1cb4be6b4ce02010e4af4a5011d003 [0,0,0,1,0,0|2,0,0]=3 1602 B21R1.156304 CCCCCCCCCCCCCCNC(=O)N1CCC1 554edc815f03f134646751851bf5d651 [0,0,0,1,0,0|2,0,0]=3 1603 B21R1.156304 CCCCCCCCCCCCCCNC(=O)[C@@H]1CCO1 74c1dccd178228d69d29fc58db5c7590 [0,0,0,1,0,0|2,0,0]=3 1604 B21R1.156304 CCCCCCCCCCCCCCNC(=O)[C@H]1CCO1 b20d9dc7246527bf7f10a205310f17b5 [0,0,0,1,0,0|2,0,0]=3 1605 B21R1.156304 CCCCCCCCCCCCCCNC(=S)N1CCC1 fcc1856d9e2128490d5109c09127dd1d [0,0,0,1,0,0|2,1,0]=4 1606 B21R1.156304 CCCCCCCCCCCCCNCC(=O)C1CCC1 25c36be65e68fa65927784aa9843518d [0,0,0,1,0,0|3,0,0]=4 1607 B21R1.156304 CCCCCCCCCCCCCNCC(=O)N1CCC1 941cc897fc6e01bb2e71aabd6b2f4130 [0,0,0,1,0,0|2,0,0]=3 1608 B21R1.156304 CCCCCCCCCCCCCOCC(=O)C1CCC1 cb2e5f8c4b48dec9e2f69ab004e8af7c [0,0,0,1,0,0|3,0,0]=4 1609 B21R1.156304 CCCCCCCCCCCCCOCC(=O)N1CCC1 435cd7c6f2dd2aeafa0407bf30efa174 [0,0,0,1,0,0|2,0,0]=3 1610 B21R1.156304 CCCCCCCCCCCCNCCC(=O)N1CCC1 10338fac8f88a4c1297ad0db1292285d [0,0,0,1,0,0|2,0,0]=3 1611 B21R1.156304 CCCCCCCCCCCCOCCC(=O)N1CCC1 682c0780c802914e5878f8bfaa218113 [0,0,0,1,0,0|2,0,0]=3 1612 B21R1.156304 CCCCCCCCCCCCSCCC(=O)N1CCC1 773a30dd8fcafd501407f3e605d8cb7f [0,0,0,1,0,0|2,0,0]=3 1613 B21R1.156304 CCCCCCCCCCOCCOCC(=O)N1CCC1 5d7679128e743eac69838ffa2ad05814 [0,0,0,1,0,0|3,0,0]=4 1614 B21R1.156304 CCCCCCCCCCSCCOCC(=O)N1CCC1 7389c89ec0d2a715609830548396b59c [0,0,0,1,0,0|3,0,0]=4 1615 B21R1.156304 CCCCCCCCOCCCNCCC(=O)N1CCC1 f912e8175c603e7bbe2b26ae62153d4c [0,0,0,1,0,0|3,0,0]=4 1616 B21R1.156304 CCCCCCCOCCCCOCCC(=O)N1CCC1 35855feba911f4e2a5685a00da6afa7a [0,0,0,1,0,0|3,0,0]=4 1617 B21R1.156304 CCOCCCCCCCCCOCCC(=O)N1CCC1 f80f984540c1415927cdace8a6035fa5 [0,0,0,1,0,0|3,0,0]=4 1618 B21R1.156304 O=C(CCCCCCCCCCCCCCO)N1CCC1 7f7070fa08e8f52dca6684d4cb4843da [0,0,0,1,0,0|2,0,0]=3 1619 B21R1.156304 O=C(CCNCCCCCCCCCCCO)N1CCC1 8d0dabaa79b8cf497118a6a17480e50e [0,0,0,1,0,0|3,0,0]=4 1620 B21R1.156304 O=C(CCOCCCCCCCCCCCS)N1CCC1 b4c0f32b2afb7993fc6affa1eea44904 [0,0,0,1,0,0|3,0,0]=4 1621 B21R1.156304 O=C(CNCCCCCCCCCCCCO)N1CCC1 990478f52ea3b70d8876a84c4fce4f3d [0,0,0,1,0,0|3,0,0]=4 1622 B21R1.156304 O=C(NCCCCCCCCCCCCCO)C1CCO1 4f5217164ffe58b161be123ebddf04a0 [0,0,0,1,0,0|3,0,0]=4 1623 B21R1.156304 O=C(NCCCCCCCCCCCCCO)N1CCC1 8f001c6a3beb1a1f7b5254366dd81ff4 [0,0,0,1,0,0|3,0,0]=4 1624 B21R1.156304 O=C(NCCCCCCCCCCCCCO)[C@@H]1CCO1 6e7664ea7a758177eabb291f57c2169f [0,0,0,1,0,0|3,0,0]=4 1625 B21R1.156304 O=C(NCCCCCCCCCCCCCO)[C@H]1CCO1 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CCCCCCCCCCCCCCCC(=O)NC1CC1 16cf9c9f0794d5528304b8e30628a662 [0,0,0,1,0,0|1,0,0]=2 1636 B21R1.156306 CCCCCCCCCCCCCCNC(=O)CC1CC1 44b1c49703fa91b2ccd3a7de69eac068 [0,0,0,1,0,0|3,0,0]=4 1637 B21R1.156306 CCCCCCCCCCCCCCNC(=O)NC1CC1 bec9de3624484536f81f4d4aa422231b [0,0,0,1,0,0|2,0,0]=3 1638 B21R1.156306 CCCCCCCCCCCCCCNC(=S)NC1CC1 b170acfd5567e976d62de7d12868283a [0,0,0,1,0,0|2,1,0]=4 1639 B21R1.156306 CCCCCCCCCCCCCNCC(=O)NC1CC1 9c7cb7ac585e81427bb9a490c1fc619b [0,0,0,1,0,0|2,0,0]=3 1640 B21R1.156306 CCCCCCCCCCCCCOCC(=O)NC1CC1 5dbdf6ed79e4cde8c6cb3f28075f3f98 [0,0,0,1,0,0|2,0,0]=3 1641 B21R1.156306 CCCCCCCCCCCCNCCC(=O)NC1CC1 5f9de34cd884a6606727a9f6eae3bde6 [0,0,0,1,0,0|2,0,0]=3 1642 B21R1.156306 CCCCCCCCCCCCOCCC(=O)NC1CC1 144fdeb5ab6a1258194216f40982a56e [0,0,0,1,0,0|2,0,0]=3 1643 B21R1.156306 CCCCCCCCCCCCSCCC(=O)NC1CC1 af849affe861d7cb9a590bfa045f6261 [0,0,0,1,0,0|2,0,0]=3 1644 B21R1.156306 CCCCCCCCCCCNCCCC(=O)NC1CC1 498aa2bb853aabd88942b9539b98b5b4 [0,0,0,1,0,0|2,0,0]=3 1645 B21R1.156306 CCCCCCCCCCCOCCCC(=O)NC1CC1 2fa0a61c8de47e3293fea324b4ac9cbc [0,0,0,1,0,0|2,0,0]=3 1646 B21R1.156306 CCCCCCCCCCOCCOCC(=O)NC1CC1 68dc36819ff28fe031e8866b855d9efc [0,0,0,1,0,0|3,0,0]=4 1647 B21R1.156306 CCCCCCCCCCSCCOCC(=O)NC1CC1 65000ec452165ff737a5607ce97f0aaa [0,0,0,1,0,0|3,0,0]=4 1648 B21R1.156306 CCCCCCCCOCCCNCCC(=O)NC1CC1 f41dac7090f368532d3880252a539c9e [0,0,0,1,0,0|3,0,0]=4 1649 B21R1.156306 CCCCCCCCOCCOCCCC(=O)NC1CC1 c935fbb59f0ffefe9c02f49bd990a96e [0,0,0,1,0,0|3,0,0]=4 1650 B21R1.156306 CCCCCCCCSCCOCCCC(=O)NC1CC1 55864549c8d0c1e97b983d1b6149aa22 [0,0,0,1,0,0|3,0,0]=4 1651 B21R1.156306 CCCCCCCOCCCCOCCC(=O)NC1CC1 b14a8c9c30773dfbd508046843f45e7a [0,0,0,1,0,0|3,0,0]=4 1652 B21R1.156306 CCOCCCCCCCCCOCCC(=O)NC1CC1 b57172a4659147dd86238a73ccdeb826 [0,0,0,1,0,0|3,0,0]=4 1653 B21R1.156306 O=C(CCCCCCCCCCCCCCO)NC1CC1 010edc9a1dd1456b49bdad974e7793b9 [0,0,0,1,0,0|2,0,0]=3 1654 B21R1.156306 O=C(CCCNCCCCCCCCCCO)NC1CC1 7eb643f4bb144c7cdf82f40741dbe127 [0,0,0,1,0,0|3,0,0]=4 1655 B21R1.156306 O=C(CCNCCCCCCCCCCCO)NC1CC1 f944d514295a878e0241c209ae97b756 [0,0,0,1,0,0|3,0,0]=4 1656 B21R1.156306 O=C(CCOCCCCCCCCCCCS)NC1CC1 c0cadb2a694fec31e1f3bc6c9c8193ae [0,0,0,1,0,0|3,0,0]=4 1657 B21R1.156306 O=C(CNCCCCCCCCCCCCO)NC1CC1 3a8c3478b09bd96dbaa9db9d75fc0eff [0,0,0,1,0,0|3,0,0]=4 1658 B21R1.156306 O=C(CNCCCCCCCCCCCCS)NC1CC1 1ef26d300c76fd71d042c7685198afef [0,0,0,1,0,0|3,0,0]=4 1659 B21R1.156306 O=C(NCCCCCCCCCCCCCO)NC1CC1 c93f2a914ff65639216c3977f436f68f [0,0,0,1,0,0|3,0,0]=4 1660 B21R1.156306 O=CCCCCCCCCCCCCCC(=O)NC1CC1 952114e9761682624efbcc12cf73de0e [0,0,0,1,0,0|2,0,1]=4 1661 B21R1.392899 CCCCCCCCCCCCCCCN1CC(C1)CO 0572a5a6ea4de90577c8bf86640e0051 [0,0,0,1,0,0|3,0,0]=4 1662 B21R1.393501 C#CCNC(=O)CN1CCCCC1CCCCCCCC 510ce02cafe7ffbc8d9a71c31eecceff [0,0,0,1,0,0|2,0,1]=4 1663 B21R1.393501 C=CCNC(=O)CN1CCCCC1CCCCCCCC 302ed7749b7b62252bb9ec27ea4a7dfd [0,0,0,1,0,0|2,0,1]=4 1664 B21R1.393501 CCCCCCCCC1CCCCN1CC(=O)NCC#N 3684b5faef7bef39aa106d748df263f5 [0,0,0,1,0,0|2,0,1]=4 1665 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O=C1OC[C@@H]([C@@H]1NCCCCCCCCCCCCO)O 281fba32c733663bf40b89f5d75a82a6 [0,0,0,1,0,0|3,0,0]=4 1675 B21R1.987709 O=CCCCCCCCCCCCN[C@@H]1C(=O)NC[C@H]1O ba3afd67737dd2231a47fe12b7a28618 [0,0,0,1,0,0|2,0,1]=4 1676 B21R1.987724 CCCCCCCCCCCCCN1CCCNC(=O)C1 80b95069a5a993049694250700b4a39e [0,0,0,1,0,0|2,0,0]=3 1677 B21R1.987724 CCCCCCCCCCCCOC1CCCNC(=O)C1 47bcc96b10108aa31deaea488eb3fda7 [0,0,0,1,0,0|2,0,0]=3 1678 B21R1.987724 CCOCCCCCCCCCOC1CCCNC(=O)C1 e248a5dfd280539f1afecd3ff535ddc4 [0,0,0,1,0,0|3,0,0]=4 1679 B21R1.987724 O=C1CC(CCCN1)OCCCCCCCCCCCS 74328e41df7e4f3c76dcda55a28b1366 [0,0,0,1,0,0|3,0,0]=4 1680 B21R1.987724 O=C1CN(CCCN1)CCCCCCCCCCCCO 65df4a3d962f6e52728188a76ef0324a [0,0,0,1,0,0|3,0,0]=4 1681 B21R1.987724 O=C1CN(CCCN1)CCCCCCCCCCCCS c534c3c22a93488daac57c30ac39ddc5 [0,0,0,1,0,0|3,0,0]=4 1682 B21R1.988626 C=CCNC(=O)CCN1CCCCCC1CCCCCC 18c7c9aa405a03e779447332b19d1708 [0,0,0,1,0,0|2,0,1]=4 1683 B21R1.1203238 CCCNC(=O)CCCOCCCCN1CCCCCC1 e6e2cb1b29cf9999e7f3feca129bb90d [0,0,0,1,0,0|3,0,0]=4 1684 B21R1.1203238 CCCNC(=O)CNCCCCCCN1CCCCCC1 0dd861cf5d0df94d84282b1ac16146bc [0,0,0,1,0,0|3,0,0]=4 1685 B18R0.221 C#CCNCCCCCCCCCCCCCCC 33f241fe24697c88fd7514aa455f07b0 [2,0,0,0,0,0|1,0,1]=4 1686 B18R0.221 C=CCCCCCCCCCCCCCNCCO cc334f9208f9d0eea6ccd70b7f2653f9 [2,0,0,0,0,0|0,0,2]=4 1687 B18R0.221 C=CCNCCCCCCCCCCCCCCC bb210caae16527415d6fc7753fe7e4d0 [2,0,0,0,0,0|1,0,1]=4 1688 B18R0.221 CC/C=C/CNCCCCCCCCCCCCC 2440ae3bbe0a8cf9998da6951ae99688 [2,0,0,0,0,0|2,0,0]=4 1689 B18R0.221 CC/C=C\CCCCCNCCCCCCCCC ccc35e9cea1438735d103154878a2e67 [2,0,0,0,0,0|2,0,0]=4 1690 B18R0.221 CC/C=C\CCNCCCCCCCCCCCC a6d3d0efec1bf23bb874291946ae0614 [2,0,0,0,0,0|2,0,0]=4 1691 B18R0.221 CCCCCCCCCCCCCCCCNCF 1680dce106d7f6dfa7e872869d80ef88 [2,0,0,0,0,0|1,0,1]=4 1692 B18R0.221 CCCCCCCCCCCCCCCCNCO 24f43ac95fddeb6de86e08ac4ee75ce8 [2,0,0,0,0,0|0,0,1]=3 1693 B18R0.221 CCCCCCCCCCCCCCCNCC#N 8aba60e9fc70601b6830e4dc98b4ef32 [2,0,0,0,0,0|1,0,1]=4 1694 B18R0.221 CCCCCCCCCCCCCCCNCC=O 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CCNC(=O)COCCCCCCCCCCCS 4a4e37bdc801fc36934f88874b764ce6 [2,0,0,0,0,0|2,0,0]=4 1771 B18R0.110 CCNC(=O)COCCCCCCCCCOCC dd0de59f72a7040ffb9f806c330a0706 [2,0,0,0,0,0|2,0,0]=4 1772 B18R0.110 CCNCCCCCCCCCCCC(=O)OCC ee908831fe70cdc0f2b0f34e8d9f276b [2,0,0,0,0,0|2,0,0]=4 1773 B18R0.110 O=C(CCO)NCCCCCCCCCCCCO 1489e82fd941fc091b7e988402fe963e [2,0,0,0,0,0|2,0,0]=4 1774 B18R0.110 O=C(CNCCCCCCCCCCCO)NCO 3d5f50b64c6d29b26d645c5dda97f0e0 [2,0,0,0,0,0|2,0,0]=4 1775 B18R0.171 C=C(CC)CNCCCCCCCCCCCCC a0f14938401c22da1980f8f7c659a991 [2,0,0,0,0,0|2,0,0]=4 1776 B18R0.171 C=C(CO)CNCCCCCCCCCCCCC 9dd62430093e34e005d661e9f70f97d0 [2,0,0,0,0,0|2,0,0]=4 1777 B18R0.171 CCC(=O)CCCCNCCCCCCCCCO 5422a9d8716ee84fedeff6fb3167d31e [2,0,0,0,0,0|2,0,0]=4 1778 B18R0.171 CCC(=O)CCCCOCCCCCCCCCS 93059d542e673ec7b9c0e00c5de7eb3b [2,0,0,0,0,0|2,0,0]=4 1779 B18R0.171 CCC(=O)CNCCCCCCCCCCCCO af8ddda705591ef073efb0fa3a0c7493 [2,0,0,0,0,0|2,0,0]=4 1780 B18R0.171 CCC(=O)COCCCCCCCCCCCCS 2a8867b38ff802ca2b26e649d068a889 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82f86afda9190b8bdd5199e8b59d0024 [2,0,0,0,0,0|1,0,0]=3 1792 B18R0.171 CCCCCCCCCCCCCOCC(=O)NC 27baee448aedd5cac1d340749cb7687d [2,0,0,0,0,0|1,0,0]=3 1793 B18R0.171 CCCCCCCCCCCCCOCC(=O)OC 826bf82f30ca3eef9fed366f52c0cd6b [2,0,0,0,0,0|2,0,0]=4 1794 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 0f0e35b7c551efba4bf7131543c68c91 [2,0,0,0,0,0|1,0,0]=3 1795 B18R0.171 CCCCCCCCCCCCNCCC(=O)NO c24b65e27c142b99d15b2d5a5fa21c83 [2,0,0,0,0,0|1,0,0]=3 1796 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC bcf90d499f99be6e178e0cf122271fa3 [2,0,0,0,0,0|2,0,0]=4 1797 B18R0.171 CCCCCCCCCCCCNCCS(=O)CC 65527ec63f2935b4213f2f93732effe2 [2,0,0,0,0,0|2,0,0]=4 1798 B18R0.171 CCCCCCCCCCCCNCOC(=O)CC 2ae88bf4d6530075e7fb3c299e9de2f2 [2,0,0,0,0,0|2,0,0]=4 1799 B18R0.171 CCCCCCCCCCCCOCCC(=O)NC 5342f4efca6fe918423c25ca4f234ecb [2,0,0,0,0,0|1,0,0]=3 1800 B18R0.171 CCCCCCCCCCCCOCCC(=O)OC b131164acc43f2f5b0afb1adff4e8bf2 [2,0,0,0,0,0|2,0,0]=4 1801 B18R0.171 CCCCCCCCCCCCOCOC(=O)CC d44cb0a9a623cf4c383df75353708865 [2,0,0,0,0,0|2,0,0]=4 1802 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 5d64268b0fe0be2c6d352321a30b5149 [2,0,0,0,0,0|1,0,0]=3 1803 B18R0.171 CCCCCCCCCCCNCCCC(=O)OC eb6c3d00b3265684bd102c47e0cf4424 [2,0,0,0,0,0|2,0,0]=4 1804 B18R0.171 CCCCCCCCCCCNCCNC(=O)CC 346a92b8f41d60f0836355117af8373b [2,0,0,0,0,0|2,0,0]=4 1805 B18R0.171 CCCCCCCCCCCOCCCC(=O)NC 0f72521543be94385eb983bc40f0caac [2,0,0,0,0,0|1,0,0]=3 1806 B18R0.171 CCCCCCCCCCCOCCCC(=O)OC 137ed413af503f12842fb66912ec5371 [2,0,0,0,0,0|2,0,0]=4 1807 B18R0.171 CCCCCCCCCCCOCCNC(=O)CC 2fe78cb46f1c6e0ca5634f71f2b277d1 [2,0,0,0,0,0|2,0,0]=4 1808 B18R0.171 CCCCCCCCCCCOCCOC(=O)CC 76e7df92d77e56560bbb45ab7680cbac [2,0,0,0,0,0|2,0,0]=4 1809 B18R0.171 CCCCCCCCCCNCCCCC(=O)CC 0d77cee053097c3310951aab8f37d1fc [2,0,0,0,0,0|1,0,0]=3 1810 B18R0.171 CCCCCCCCCCNCCCCC(=O)OC 79b800ceda9056235aa0c29de7ec6179 [2,0,0,0,0,0|2,0,0]=4 1811 B18R0.171 CCCCCCCCCCOCCCCC(=O)CC a17c7fadd161773f8ba6c46d89529614 [2,0,0,0,0,0|1,0,0]=3 1812 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 4d9b84bf455a4b59896df2522b560df4 [2,0,0,0,0,0|2,0,0]=4 1813 B18R0.171 CCCCCCCCCCOCCOCC(=O)CC 678d9acac90001a15d2cdc6c1c7cac45 [2,0,0,0,0,0|2,0,0]=4 1814 B18R0.171 CCCCCCCCCCOCCOCC(=O)NC 4e92b95e54e4a204d34faedf2549654e [2,0,0,0,0,0|2,0,0]=4 1815 B18R0.171 CCCCCCCCCCSCCOCC(=O)CC 35a6ad867dd2f9df47db057e2921d976 [2,0,0,0,0,0|2,0,0]=4 1816 B18R0.171 CCCCCCCCCCSCCOCC(=O)NC 1dc19dfa1836143bd37afd2771218da4 [2,0,0,0,0,0|2,0,0]=4 1817 B18R0.171 CCCCCCCCCNCCCCCC(=O)OC c7f8af939b6d02d23215f52f3d47b2e5 [2,0,0,0,0,0|2,0,0]=4 1818 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC d8329a2384e9a35497b46bcfc5b5deca [2,0,0,0,0,0|2,0,0]=4 1819 B18R0.171 CCCCCCCCNCCCCCCC(=O)OC 8e89381605beacd7fdf1ddc19321ad60 [2,0,0,0,0,0|2,0,0]=4 1820 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 2962647050129ee4fd4ca888d38b4e12 [2,0,0,0,0,0|2,0,0]=4 1821 B18R0.171 CCCCCCCCOCCCNCCC(=O)NC 038e095f135767247c2a7ce6a928f044 [2,0,0,0,0,0|2,0,0]=4 1822 B18R0.171 CCCCCCCCOCCOCCCC(=O)NC 551bed2687fe9cc0f2d2c563004f77ed [2,0,0,0,0,0|2,0,0]=4 1823 B18R0.171 CCCCCCCCSCCOCCCC(=O)NC 76b45c643322f6c694e813e5c483c5ab [2,0,0,0,0,0|2,0,0]=4 1824 B18R0.171 CCCCCCCNCCCCCCCC(=O)NC 860e7bf560bd4153f3ffc420e15b232d [2,0,0,0,0,0|1,0,0]=3 1825 B18R0.171 CCCCCCCNCCCCCCCC(=O)OC acffe068a9e2b9c95457348cae264d5d [2,0,0,0,0,0|2,0,0]=4 1826 B18R0.171 CCCCCCCOCCCCCCCC(=O)NC a68143bd67960f0b4558c6d105cb2694 [2,0,0,0,0,0|1,0,0]=3 1827 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 2520b1403f32111a3b0cc33caceacf67 [2,0,0,0,0,0|2,0,0]=4 1828 B18R0.171 CCCCCCCOCCCCOCCC(=O)NC 85316d746ba7cd0687ed8871ee49c103 [2,0,0,0,0,0|2,0,0]=4 1829 B18R0.171 CCCCCCNCCCCCCCCC(=O)OC fbebe4aad4ba04ccc8ae3d9ea77ceeed [2,0,0,0,0,0|2,0,0]=4 1830 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 83d9023ea668eb92f71cab31904c15c0 [2,0,0,0,0,0|2,0,0]=4 1831 B18R0.171 CCCCCNCCCCCCCCCC(=O)OC d5b291194a2a1cb694e34aa7cbb511c4 [2,0,0,0,0,0|2,0,0]=4 1832 B18R0.171 CCCCCOCCCCCCCCCC(=O)OC 590b535032e8f447ca61546dc6cb5eda [2,0,0,0,0,0|2,0,0]=4 1833 B18R0.171 CCCCNCCCCCCCCCCC(=O)OC f79052dbfc621bdbb4b5dbbaa1add0e5 [2,0,0,0,0,0|2,0,0]=4 1834 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC ebdbc3ab80575c490a8ed3a357029462 [2,0,0,0,0,0|2,0,0]=4 1835 B18R0.171 CCCCOCCNCCCCCCCC(=O)NC 025cf1e72107df46da92cb8835d38c16 [2,0,0,0,0,0|2,0,0]=4 1836 B18R0.171 CCCCOCCOCCCCCCCC(=O)NC eaf95f8c94983906289ccfaae16157ca [2,0,0,0,0,0|2,0,0]=4 1837 B18R0.171 CCCCSCCOCCCCCCCC(=O)NC ebcd6f1cabe8e3daed7b35d4fc636749 [2,0,0,0,0,0|2,0,0]=4 1838 B18R0.171 CCCNCCCCCCCCCCCC(=O)OC 4fcd5c1ed78d175e58d845189ac053f1 [2,0,0,0,0,0|2,0,0]=4 1839 B18R0.171 CCCOCCCCCCCCCCCC(=O)OC c73704ef2b7d958b60eeec61c83c75d8 [2,0,0,0,0,0|2,0,0]=4 1840 B18R0.171 CCCOCCCNCCCCCCCC(=O)NC 1dd9888d57ecd3252101dead18126602 [2,0,0,0,0,0|2,0,0]=4 1841 B18R0.171 CCOCCCCCCCCCCCCC(=O)OC cf6b83b167823f7b06f14cd7a07fa0bb [2,0,0,0,0,0|2,0,0]=4 1842 B18R0.171 CCOCCCCCCCCCNCCC(=O)NC 0168a22c440bd39fe6c2a6de95d1ac94 [2,0,0,0,0,0|2,0,0]=4 1843 B18R0.171 CCOCCCCCCCCCNCCC(=O)NO d8911fb7696f31607c260936d5addab7 [2,0,0,0,0,0|2,0,0]=4 1844 B18R0.171 CCOCCCCCCCCCOCCC(=O)NC 46eaf9d319e3ef5c3e285f4b0bb4a75a [2,0,0,0,0,0|2,0,0]=4 1845 B18R0.171 CCSCCCCNCCCCCCCC(=O)NC 600e7bd34035ebefcab19656a696b4ca [2,0,0,0,0,0|2,0,0]=4 1846 B18R0.171 CNC(=O)CCCCCCCNCCCCCCCl ae15c963121f19b523185baafcf0800b [2,0,0,0,0,0|2,0,0]=4 1847 B18R0.171 CNC(=O)CCCCCCCNCCCCCCO 26cc274205640296e34be1d5f5d23fa1 [2,0,0,0,0,0|2,0,0]=4 1848 B18R0.171 CNC(=O)CCCCCCCNCCCCCOC 24316711c158b3bf07c8a281fe02576d [2,0,0,0,0,0|2,0,0]=4 1849 B18R0.171 CNC(=O)CCCCCCCOCCCCCCF a1a9d5591421ac10cbcf8062341dc38a [2,0,0,0,0,0|2,0,0]=4 1850 B18R0.171 CNC(=O)CCCCCCCOCCCCCCS 666533c5abae3da0edb2214a16179171 [2,0,0,0,0,0|2,0,0]=4 1851 B18R0.171 CNC(=O)CCCNCCCCCCCCCCO 171e6edda01125bf6fa643daafa4186f [2,0,0,0,0,0|2,0,0]=4 1852 B18R0.171 CNC(=O)CCNCCCCCCCCCCCO 7252c60b68bf4ffc8b84c01eb019c963 [2,0,0,0,0,0|2,0,0]=4 1853 B18R0.171 CNC(=O)CCNCCCCCCCCCCCS 1676cbcecb2f8aee8a383710406b8f71 [2,0,0,0,0,0|2,0,0]=4 1854 B18R0.171 CNC(=O)CCOCCCCCCCCCCCS 2127043ea4fe8d6a50f3b81845679cc3 [2,0,0,0,0,0|2,0,0]=4 1855 B18R0.171 CNC(=O)CNCCCCCCCCCCCCO 76efcccbb1b318a1a38fd9b1fa2673da [2,0,0,0,0,0|2,0,0]=4 1856 B18R0.171 CNC(=O)CNCCCCCCCCCCCCS 80eb3b9ac5261ae3bd54eea8dcf19882 [2,0,0,0,0,0|2,0,0]=4 1857 B18R0.171 CNC(=O)COCCCCCCCCCCCCS 7344ec977bcc2c8f626350c964f442f0 [2,0,0,0,0,0|2,0,0]=4 1858 B18R0.171 O=C(CCNCCCCCCCCCCCO)NO 4a05efa33877851aa2082f4909558048 [2,0,0,0,0,0|2,0,0]=4 1859 B18R0.171 O=C(CCNCCCCCCCCCCCS)NO 3072b53eab0b2dadb358681ca0720379 [2,0,0,0,0,0|2,0,0]=4 1860 B18R0.171 O=C(CNCCCCCCCCCCCCO)NO 4e93daccea6383ddd4906b6760715d8a [2,0,0,0,0,0|2,0,0]=4 1861 B18R0.171 O=C(CNCCCCCCCCCCCCS)NO 8004a58ad17856aa22f60669d5741d1d [2,0,0,0,0,0|2,0,0]=4 1862 B18R0.171 O=C(CO)CNCCCCCCCCCCCCO 4168d53637e9d9c38a6934145546d67c [2,0,0,0,0,0|2,0,0]=4 1863 B18R0.171 O=C(CO)NCCCCCCCCCCCCCO c864e5170da28d6da5a41d9541ae17ca [2,0,0,0,0,0|2,0,0]=4 1864 B18R0.3155 C#CCCCCCCCCCCCC(=O)NCCO ecdfac178356894efdcac61594aac911 [2,0,0,0,0,0|0,0,2]=4 1865 B18R0.3155 C#CCNC(=O)CCCCCCCCCCCCC 60abb9ea0ee8f63d2ed23162b31f33ce [2,0,0,0,0,0|1,0,1]=4 1866 B18R0.3155 C=CCCCCCCCCCCCC(=O)NCCO 7556763725e2d44393a91780d676a622 [2,0,0,0,0,0|0,0,2]=4 1867 B18R0.3155 CCCC/C=C/CCCCCCCC(=O)NCCO a258fef433e79b353c8caf291d1a5cc7 [2,0,0,0,0,0|0,0,2]=4 1868 B18R0.3155 CCCC/C=C\CCCCCCCC(=O)NCCO 1462c6e88bf4baf495495644cf3fd7ff [2,0,0,0,0,0|0,0,2]=4 1869 B18R0.3155 CCCCCC/C=C\CCCCCC(=O)NCCO 89f897da9b68228251d39f17e9f20dcc [2,0,0,0,0,0|0,0,2]=4 1870 B18R0.3155 CCCCCCCCCCC/C=C/C(=O)NCCO 1a60bc7431190a741bef9462d4fae760 [2,0,0,0,0,0|0,0,2]=4 1871 B18R0.3155 CCCCCCCCCCCCCC(=O)NCC#N 2216a309edbb6a499896b75cf137610a [2,0,0,0,0,0|1,0,1]=4 1872 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCBr a21beedbd38b8df68ef6a55d06718dec [2,0,0,0,0,0|1,0,0]=3 1873 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCC 090f562b1abf40e70dde039d5ff8e269 [2,0,0,0,0,0|1,0,0]=3 1874 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCF ec510378e33ad30b80cb5fd31035f395 [2,0,0,0,0,0|1,0,0]=3 1875 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCI fe02fb7f7222611ab9eadaca71819531 [2,0,0,0,0,0|1,0,0]=3 1876 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCO 67ac253a7fe16f2d3744e517fc45e876 [2,0,0,0,0,0|0,0,0]=2 1877 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCS 1c42f30cc5722f2b618242e6a1fde072 [2,0,0,0,0,0|0,1,0]=3 1878 B18R0.3155 CCCCCCCCCCCCNC(=O)NCCC af4844081110f61a5b9d02ae4e46622d [2,0,0,0,0,0|2,0,0]=4 1879 B18R0.3155 CCCCCCCCCCCCNC(=O)NCCF 3517e18a16566badacdb5c442274a5e4 [2,0,0,0,0,0|2,0,0]=4 1880 B18R0.3155 CCCCCCCCCCCCNC(=O)NCCN 8c306a8f9c03256e283a6abce85ec329 [2,0,0,0,0,0|2,0,0]=4 1881 B18R0.3155 CCCCCCCCCCCCNC(=O)NCCO 7891c4a97f0a82cecab22bde144d7831 [2,0,0,0,0,0|1,0,0]=3 1882 B18R0.3155 CCCCCCCCCCCCNC(=O)NCCS 5bcc7b90a7aa412bf0298823741890cb [2,0,0,0,0,0|1,1,0]=4 1883 B18R0.3155 CCCCCCCCCCCCNC(=S)NCCO a71b655e03b9f0ab5d089a8714dc0e49 [2,0,0,0,0,0|1,1,0]=4 1884 B18R0.3155 CCCCCCCCCCCNCC(=O)NCCC 1f828365b7e8a8276d8280244a138185 [2,0,0,0,0,0|2,0,0]=4 1885 B18R0.3155 CCCCCCCCCCCNCC(=O)NCCO 2a13714d275e48f81f7cb99b6784addf [2,0,0,0,0,0|1,0,0]=3 1886 B18R0.3155 CCCCCCCCCCCOCC(=O)NCCC d2c42f4dd1da36f529f2b0dca902cc06 [2,0,0,0,0,0|2,0,0]=4 1887 B18R0.3155 CCCCCCCCCNCCCC(=O)NCCC 42aa2a31798e1d948102a3092713abad [2,0,0,0,0,0|2,0,0]=4 1888 B18R0.3155 CCCCCCCCCOCCCC(=O)NCCC f3d99e1e17e7c5abbe19c1f0407a4d46 [2,0,0,0,0,0|2,0,0]=4 1889 B18R0.3155 CCCCCCCCOCCCNC(=O)NCCO 0a78a919b93a27ef9293cc79d5529db2 [2,0,0,0,0,0|2,0,0]=4 1890 B18R0.3155 CCCNC(=O)CCCCCCCCCCCCO f7dd232ce1bc898ca81b45db5db6d3fa [2,0,0,0,0,0|2,0,0]=4 1891 B18R0.3155 NCCCCCCCCCCCNC(=O)NCCO 4f4464f5332227d27a5d10e3139021b7 [2,0,0,0,0,0|2,0,0]=4 1892 B18R0.3155 O=C(CCCCCCCCCCCCO)NCCBr d68bd94e83c38e41478ef57960b1c671 [2,0,0,0,0,0|2,0,0]=4 1893 B18R0.3155 O=C(CCCCCCCCCCCCO)NCCF 59925216854ca6c62761f13891595356 [2,0,0,0,0,0|2,0,0]=4 1894 B18R0.3155 O=C(CCCCCCCCCCCCO)NCCI 2760729f18a29a87667aaaf1906c251c [2,0,0,0,0,0|2,0,0]=4 1895 B18R0.3155 O=C(CCCCCCCCCCCCO)NCCO ec77193af97291f78677d625f8fe11cf [2,0,0,0,0,0|1,0,0]=3 1896 B18R0.3155 O=C(CCCCCCCCCCCCO)NCCS 15cd516deb685dd8dc8a9577c74ffae8 [2,0,0,0,0,0|1,1,0]=4 1897 B18R0.3155 O=C(CNCCCCCCCCCCO)NCCO 0518708a66e08bd44a3922ccdd47755e [2,0,0,0,0,0|2,0,0]=4 1898 B18R0.3155 O=C(NCCO)NCCCCCCCCCCCO 943bb120ddc4381aad6875d0babb6537 [2,0,0,0,0,0|2,0,0]=4 1899 B20R0.39 CCCCCCCCCCCCCCCCN(C)CCO 6057d54bff81e3be0a007ed55f90ebb0 [1,1,0,0,0,0|0,0,1]=3 1900 B20R0.39 CCCCCCCCCCCCCCCNC(=O)CCO ff6a3f3c639d56810184d645271e1b62 [1,1,0,0,0,0|2,0,0]=4 1901 B20R0.39 CCCCCCCCCCCCCCCNC(C)CCO f636efaccf704adcf59bb4f2ecc25ff9 [1,1,0,0,0,0|2,0,0]=4 1902 B20R0.39 CCCCCCCCCCCCCCCN[C@@H](C)CCO 74e7dd78656afd4ccfa0d652f231bce8 [1,1,0,0,0,0|2,0,0]=4 1903 B20R0.39 CCCCCCCCCCCCCCCN[C@H](C)CCO 9d9caeb1af3879a2933faf153e99fc56 [1,1,0,0,0,0|2,0,0]=4 1904 B20R0.39 CCCCCCCCCCCCCNCCN(C)CCO efd7782517a084f5170207b3d8cc0315 [1,1,0,0,0,0|1,0,1]=4 1905 B20R0.39 CCCCCCCCCCCCNCCCN(C)CCO 9b671784899af474b72addad679cc656 [1,1,0,0,0,0|1,0,1]=4 1906 B20R0.39 CN(CCO)CCCCCCCCCCCCCCCO 09492f3623b9a5c461176dfad16db2e8 [1,1,0,0,0,0|1,0,1]=4 1907 B20R0.39 COCCCCCCCCCCCCCCN(C)CCO d834876a555e1c58902695b6d88c2e51 [1,1,0,0,0,0|1,0,1]=4 1908 B20R0.110 CCCCCCCCCCCCCCC(=O)CNCCO e19b1e3656e1ec6fc934edebb5d4ec2b [1,1,0,0,0,0|0,0,2]=4 1909 B20R0.110 CCCCCCCCCCCCCCC(C)CNCCO da8c903293745954c7a8513d38654376 [1,1,0,0,0,0|0,0,1]=3 1910 B20R0.2932 CCCCCCCCCCCCCCCCCCNCO ae04e668a26381ac2cf77ed75fd3111a [1,1,0,0,0,0|1,0,1]=4 1911 B20R0.2932 CCCCCCCCCCCCCCCCCNCCO 7ddab74ac44093351f83548b8384dbc3 [1,1,0,0,0,0|0,0,1]=3 1912 B20R0.2932 CCCCCCCCCCCCCCCCNCCC#N eb8ff17bc9a8872de48502c5950b6501 [1,1,0,0,0,0|1,0,1]=4 1913 B20R0.2932 CCCCCCCCCCCCCCCCNCCC=O 5a1695eeb66583fb2fd3d0a87ba0b3d0 [1,1,0,0,0,0|0,0,2]=4 1914 B20R0.2932 CCCCCCCCCCCCCCCCNCCCO 1c94da6a6685c1bd2b235e82b65f567a [1,1,0,0,0,0|0,0,1]=3 1915 B20R0.2932 CCCCCCCCCCCCCCCCNCCOC f770c664a9417207f3285e96673a79fd [1,1,0,0,0,0|0,0,1]=3 1916 B20R0.2932 CCCCCCCCCCCCCCCCNCCON 419e758309bc64a2a796d202e5f64a20 [1,1,0,0,0,0|0,0,1]=3 1917 B20R0.2932 CCCCCCCCCCCCCCCNCCCCO 702c29d4fcdaf4cada184ae8319b07e7 [1,1,0,0,0,0|1,0,1]=4 1918 B20R0.2932 CCCCCCCCCCCCCCCNCCCOC 50b47b9dde4088abc028da9e6f659f31 [1,1,0,0,0,0|2,0,0]=4 1919 B20R0.2932 CCCCCCCCCCCCCCNCCCCCO 46a20314091648589263d422ce881736 [1,1,0,0,0,0|1,0,1]=4 1920 B20R0.2932 CCCCCCCCCCCCCCNCCOCCO 87435f7232bb2b8d0482a96a0cd8f791 [1,1,0,0,0,0|1,0,1]=4 1921 B20R0.2932 CCCCCCCCCCCCCCNCCSCCO 8d5d0ff5c6a4c66d1467121ce9a85d39 [1,1,0,0,0,0|1,0,1]=4 1922 B20R0.2932 CCCCCCCCCCCCCNCCCCCCO 14d9e8fe0081365f711bbf6278fcf2a8 [1,1,0,0,0,0|1,0,1]=4 1923 B20R0.2932 CCCCCCCCCCCCCNCCCOCCO 9bea2ab571c1ae29383b434927119e82 [1,1,0,0,0,0|1,0,1]=4 1924 B20R0.2932 CCCCCCCCCCCCCNCCOCCCO 1d0fe1d7e2c2d38c500f30e466991e9c [1,1,0,0,0,0|2,0,0]=4 1925 B20R0.2932 CCCCCCCCCCCCNCCCCCCCO a450b91a4d053b7a4a30e904f6118d34 [1,1,0,0,0,0|1,0,1]=4 1926 B20R0.2932 CCCCCCCCCCCCNCCCCSCCO 78160704d1ba57cee4f6fb3d78b7ca87 [1,1,0,0,0,0|1,0,1]=4 1927 B20R0.2932 CCCCCCCCCCCCNCCCOCCCO 2e7b7fa1f74376152ad9299f0fefc627 [1,1,0,0,0,0|2,0,0]=4 1928 B20R0.2932 CCCCCCCCCCCCOCCCNCCCO b0457ca100ffe596f81342b8974f59d7 [1,1,0,0,0,0|1,0,1]=4 1929 B20R0.2932 CCCCCCCCCCCCOCCCNCCOC b5bd45d739248f5a8ba01138d8ef2699 [1,1,0,0,0,0|1,0,1]=4 1930 B20R0.2932 CCCCCCCCCCCNCCCCCCCCO d4813616f65c2387e69560f8ed497199 [1,1,0,0,0,0|1,0,1]=4 1931 B20R0.2932 CCCCCCCCCCNCCCCCCCCCO 0dfbaf11b59175b8d1c22723a6235983 [1,1,0,0,0,0|1,0,1]=4 1932 B20R0.2932 CCCCCCCCCCNCCCCCCOCCO 9fcebbf98eea73c1699948f91c5588b0 [1,1,0,0,0,0|1,0,1]=4 1933 B20R0.2932 CCCCCCCCCNCCCCCCCCCCO b3810c1763f9fb3b9cf0f4187a4e871c [1,1,0,0,0,0|1,0,1]=4 1934 B20R0.2932 CCCCCCCCNCCCCCCCCCCCO 07a899113171c13f96f868e625a19b04 [1,1,0,0,0,0|1,0,1]=4 1935 B20R0.2932 CCCCCCCNCCCCCCCCCCCCO fcd8d5ff437bc695a6df1e6ceb97d3da [1,1,0,0,0,0|1,0,1]=4 1936 B20R0.2932 CCCCCCNCCCCCCCCCCCCCO d93ca85335382b0b72e3394274ea4c3b [1,1,0,0,0,0|1,0,1]=4 1937 B20R0.2932 CCCCCNCCCCCCCCCCCCCCO 0ef6c025630a03bb473ac2c9127f3c70 [1,1,0,0,0,0|1,0,1]=4 1938 B20R0.2932 CCCCNCCCCCCCCCCCCCCCO a482eb953bf6f346d6c3ca91bb3dca6e [1,1,0,0,0,0|1,0,1]=4 1939 B20R0.2932 CCCNCCCCCCCCCCCCCCCCO a8e41f21a808c2a1e72b2aae86fa3c6b [1,1,0,0,0,0|1,0,1]=4 1940 B20R0.2932 COCCCCCCCCCCCCCCNCCCO 9bc2b98978f6b34dbeea2f796b3668d7 [1,1,0,0,0,0|1,0,1]=4 1941 B20R0.2932 COCCCCCCCCCCCCCCNCCOC 148d00de748ee2e7aa93cc38034fe622 [1,1,0,0,0,0|1,0,1]=4 1942 B20R0.2932 COCCCCCCCCCCCCCCNCCON f9450e35373087798177920cdca8b912 [1,1,0,0,0,0|1,0,1]=4 1943 B20R0.2932 COCCNCCCCCCCCCCCCCCCO 88f5b98ea4fbeb46a3c14658872ee272 [1,1,0,0,0,0|1,0,1]=4 1944 B20R0.2932 NOCCNCCCCCCCCCCCCCCCO c6210f4fa5b9410f181c3f15d51802e5 [1,1,0,0,0,0|1,0,1]=4 1945 B20R0.2932 OCCCCCCCCCCCCCCCCNCCBr e5e5c0178c569a23a8f6035925b39c11 [1,1,0,0,0,0|1,0,1]=4 1946 B20R0.2932 OCCCCCCCCCCCCCCCCNCCF 898d46934dc36603dbde7d3fd0176053 [1,1,0,0,0,0|1,0,1]=4 1947 B20R0.2932 OCCCCCCCCCCCCCCCCNCCI b3edf896e2d9d07f3ffaa82ed95aa55a [1,1,0,0,0,0|1,0,1]=4 1948 B20R0.2932 OCCCCCCCCCCCCCCCCNCCO 912465a495866ea4c6854a33e22d1dee [1,1,0,0,0,0|0,0,1]=3 1949 B20R0.2932 OCCCCCCCCCCCCCCCCNCCS 0f287a1fe03f93eb066a0b6037367969 [1,1,0,0,0,0|0,1,1]=4 1950 B20R0.2932 OCCCCCCCCCCCCCCCNCCCO e67e1ce18ec0c0febd95e6efae827d15 [1,1,0,0,0,0|1,0,1]=4 1951 B20R0.3034 CC(CO)NCCCCCCCCCCCCCCCO b6c5515f2ce6e2db1306f3ea0b3c9a11 [1,1,0,0,0,0|1,0,1]=4 1952 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CO 8a49cac874bf777668c876b796465c15 [1,1,0,0,0,0|0,0,2]=4 1953 B20R0.3034 CCCCCCCCCCCCCCCCNC(C)CO f27d04b2ace5edd6ba113814fa3e1d34 [1,1,0,0,0,0|0,0,1]=3 1954 B20R0.3034 CCCCCCCCCCCCCCCCN[C@@H](C)CO c9b76784a338717cb6dac9e351682a45 [1,1,0,0,0,0|0,0,1]=3 1955 B20R0.3034 CCCCCCCCCCCCCCCCN[C@H](C)CO d312862c3cd7c7fd35747081e82af606 [1,1,0,0,0,0|0,0,1]=3 1956 B20R0.3034 CCCCCCCCCCCCCCCNCC(C)CO 0b71b2ff36f3dd5d0e05e8ce2f818b3e [1,1,0,0,0,0|2,0,0]=4 1957 B20R0.3034 CCCCCCCCCCCCCCCNCC(F)CO 10f57269a7c040e0d1969eab7baa6a9c [1,1,0,0,0,0|2,0,0]=4 1958 B20R0.3034 CCCCCCCCCCCCCCCNCC(O)CO 7b0caef50f4b13216ab135412e58bb59 [1,1,0,0,0,0|2,0,0]=4 1959 B20R0.3034 CCCCCCCCCCCCCCCNC[C@@H](C)CO 9fab32d3bf981814ccf95fe717f3ed5d [1,1,0,0,0,0|2,0,0]=4 1960 B20R0.3034 CCCCCCCCCCCCCCCNC[C@@H](F)CO 95c56d0a2824be4b84254d90eca2ffd2 [1,1,0,0,0,0|2,0,0]=4 1961 B20R0.3034 CCCCCCCCCCCCCCCNC[C@@H](O)CO 2ac4135569a95272f47445a35785fcb6 [1,1,0,0,0,0|2,0,0]=4 1962 B20R0.3034 CCCCCCCCCCCCCCCNC[C@H](C)CO de3a150e9f8bdd898a2ba49ccac87097 [1,1,0,0,0,0|2,0,0]=4 1963 B20R0.3034 CCCCCCCCCCCCCCCNC[C@H](F)CO c590dea11f724bb109c91ab939909d16 [1,1,0,0,0,0|2,0,0]=4 1964 B20R0.3034 CCCCCCCCCCCCCCCNC[C@H](O)CO 585290b2a56a12ab32cd53b8a1a5f5ca [1,1,0,0,0,0|2,0,0]=4 1965 B20R0.3034 CCCCCCCCCCCCCCCOCC(O)CO 6c98d1cd94dff6589c8061797e7c6575 [1,1,0,0,0,0|2,0,0]=4 1966 B20R0.3034 CCCCCCCCCCCCCCCOC[C@@H](O)CO fc02b17a6c64edaba9fd3e5c60dd337e [1,1,0,0,0,0|2,0,0]=4 1967 B20R0.3034 CCCCCCCCCCCCCCCOC[C@H](O)CO 4118f23aea657111882a1f0ddc1371e5 [1,1,0,0,0,0|2,0,0]=4 1968 B20R0.3034 CCCCCCCCCCCCOCCCNC(C)CO 89e75cad983df78f36e8c5cebd7b8519 [1,1,0,0,0,0|1,0,1]=4 1969 B20R0.3034 CCCCCCCCCCCCOCCCN[C@@H](C)CO c33e9823d36fd6d8d2096eefd716d6b7 [1,1,0,0,0,0|1,0,1]=4 1970 B20R0.3034 CCCCCCCCCCCCOCCCN[C@H](C)CO 54cbf728259d270034aefa03a3eb1341 [1,1,0,0,0,0|1,0,1]=4 1971 B20R0.3034 COCCCCCCCCCCCCCCNC(C)CO d72623f48baf70ee8892b6bebf5c1365 [1,1,0,0,0,0|1,0,1]=4 1972 B20R0.3034 COCCCCCCCCCCCCCCN[C@@H](C)CO b1152a60c3ed287f3f419e23211f87e4 [1,1,0,0,0,0|1,0,1]=4 1973 B20R0.3034 COCCCCCCCCCCCCCCN[C@H](C)CO d278aa051bca0554fd3c26fa65ef328e [1,1,0,0,0,0|1,0,1]=4 1974 B20R0.3034 C[C@@H](CO)NCCCCCCCCCCCCCCCO a234b902880925aadddee1696ca9b0df [1,1,0,0,0,0|1,0,1]=4 1975 B20R0.3034 C[C@H](CO)NCCCCCCCCCCCCCCCO 2d8fe281e1f1c6ac7d7148b63b26b25b [1,1,0,0,0,0|1,0,1]=4 1976 B20R0.31940 CC(O)CNCCCCCCCCCCCCCCCO be4829ae3cbefdda497461647cab0c9e [1,1,0,0,0,0|1,0,1]=4 1977 B20R0.31940 CCCCCCCCCCCCCCCCNCC(=O)O ed596e5eae3177d34b5771fbf02d4ed0 [1,1,0,0,0,0|0,0,2]=4 1978 B20R0.31940 CCCCCCCCCCCCCCCCNCC(C)O 8f86074d9f9c039801cd043ce1a1b465 [1,1,0,0,0,0|0,0,1]=3 1979 B20R0.31940 CCCCCCCCCCCCCCCCNC[C@@H](C)O 61978f998bf785863d5b9d4d4986049c [1,1,0,0,0,0|0,0,1]=3 1980 B20R0.31940 CCCCCCCCCCCCCCCCNC[C@H](C)O d83232be00a03a78c63505575ecdafa8 [1,1,0,0,0,0|0,0,1]=3 1981 B20R0.31940 CCCCCCCCCCCCCCCNCCC(C)O 2a4d4297e6cf35bfde36c3bc20fc2d6e [1,1,0,0,0,0|2,0,0]=4 1982 B20R0.31940 CCCCCCCCCCCCCCCNCC[C@@H](C)O bfc84ca81454b5e6a99591f00d04c5b1 [1,1,0,0,0,0|2,0,0]=4 1983 B20R0.31940 CCCCCCCCCCCCCCCNCC[C@H](C)O 302fef2cb0dec3d9f93765a41ed8d917 [1,1,0,0,0,0|2,0,0]=4 1984 B20R0.31940 CCCCCCCCCCCCOCCCNCC(C)O ea653aa869c5f52c054a30c83c6beb7b [1,1,0,0,0,0|1,0,1]=4 1985 B20R0.31940 CCCCCCCCCCCCOCCCNC[C@@H](C)O 7422d875d5632f0a26f90d081079fbba [1,1,0,0,0,0|1,0,1]=4 1986 B20R0.31940 CCCCCCCCCCCCOCCCNC[C@H](C)O 8de5ba77eac0432fa8fb981dfed7e5fe [1,1,0,0,0,0|1,0,1]=4 1987 B20R0.31940 COCCCCCCCCCCCCCCNCC(C)O e0fc1410e712b4421e5366375beedacc [1,1,0,0,0,0|1,0,1]=4 1988 B20R0.31940 COCCCCCCCCCCCCCCNC[C@@H](C)O 1b4b4c1f3df547a9d587120a09a52342 [1,1,0,0,0,0|1,0,1]=4 1989 B20R0.31940 COCCCCCCCCCCCCCCNC[C@H](C)O 5271bc0b06b739e6080c55df9e6c6060 [1,1,0,0,0,0|1,0,1]=4 1990 B20R0.31940 C[C@@H](O)CNCCCCCCCCCCCCCCCO f8b58544ca7a89e9b4b7117d7d5382e8 [1,1,0,0,0,0|1,0,1]=4 1991 B20R0.31940 C[C@H](O)CNCCCCCCCCCCCCCCCO 32c16b01f5e286856612cc52edbc127d [1,1,0,0,0,0|1,0,1]=4 1992 B20R0.53 CCCCCCCC(O)CCCCCCCC(=O)NC#N ed9f412df937a5168a690964b841b7a0 [1,1,0,0,0,0|1,0,1]=4 1993 B20R0.53 CCCCCCC[C@H](C)NCCCCCCC(=O)OCC 17201c70ea084c5cfce40a920d1d4ab9 [1,1,0,0,0,0|2,0,0]=4 1994 B20R0.78 CCCCCCCCC(C)COCCCCC(=O)OCC 102b406e1abaceb5bb9cd665feb62c59 [1,1,0,0,0,0|2,0,0]=4 1995 B20R0.78 CCCCCCCCC(C)NCCCCCC(=O)OCC 86ccd684b37066b670c8ea79097b985b [1,1,0,0,0,0|2,0,0]=4 1996 B20R0.78 CCCCCCCCC(C)OCCCCCC(=O)OCC 788633e08b8d00838ebbd317d3e64f9f [1,1,0,0,0,0|2,0,0]=4 1997 B20R0.78 CCCCCCCCC(O)CCCCCCC(=O)NC#N 45d76a2fb1f419c4f71f9f059858452a [1,1,0,0,0,0|1,0,1]=4 1998 B20R0.78 CCCCCCCC[C@@H](C)OCCCCCC(=O)OCC 5c1988adc9da6c90fb8f7bae63779d72 [1,1,0,0,0,0|2,0,0]=4 1999 B20R0.83 CCCCCCCCCC(C)COCCCC(=O)OCC fad2f2863780b32585323ac98c2078fc [1,1,0,0,0,0|2,0,0]=4 2000 B20R0.83 CCCCCCCCCC(C)OCCCCC(=O)OCC f4a6f568acd390e22c10e4c81f980d7d [1,1,0,0,0,0|2,0,0]=4 2001 B20R0.83 CCCCCCCCCC(O)CCCCCC(=O)NC#N 31be7d8c824fa638d28dfc91d2f7f51b [1,1,0,0,0,0|1,0,1]=4 2002 B20R0.83 CCCCCCCCC[C@@H](C)OCCCCC(=O)OCC b5e0a50b6aac929719bb74cb948dc95d [1,1,0,0,0,0|2,0,0]=4 2003 B20R0.83 CCCCCCCCNC(C)CCCCCC(=O)OCC 800049679865f7c3c3030719664a21fb [1,1,0,0,0,0|2,0,0]=4 2004 B20R0.83 CCCCCCCCOC(C)CCCCCC(=O)OCC f4b5e382583305e220f0140952e16d2f [1,1,0,0,0,0|2,0,0]=4 2005 B20R0.105 CCCCC(C)CCCCOCCCCCC(=O)OCC 1fef0a35ad565a95b54b61cb2352435e [1,1,0,0,0,0|2,0,0]=4 2006 B20R0.105 CCCCC(C)CCOCCCCCCCC(=O)OCC a13de4311cbfc1bca479c0d1b3b5f59b [1,1,0,0,0,0|2,0,0]=4 2007 B20R0.105 CCCCC(O)CCCCCCCCCCC(=O)NC#N 192d0c403ef251fb1e8912bcd80f7842 [1,1,0,0,0,0|1,0,1]=4 2008 B20R0.105 CCCCC(O)CNCCCCCCCCC(=O)OCC ffbcea9f11c016d89ac6b08f9b8e1a71 [1,1,0,0,0,0|2,0,0]=4 2009 B20R0.107 CCCCCC(C)NCCCCCCCCC(=O)OCC 81f2381d67d2e1483e96fb950608d8cb [1,1,0,0,0,0|2,0,0]=4 2010 B20R0.107 CCCCCC(O)CCCCCCCCCC(=O)NC#N db3da187c3549b0791f8b22dc70f893e [1,1,0,0,0,0|1,0,1]=4 2011 B20R0.107 CCCCC[C@H](C)NCCCCCCCCC(=O)OCC 464cae3cba8f3a38c3ca608659c5dfe6 [1,1,0,0,0,0|2,0,0]=4 2012 B20R0.112 C#CCCCCCCCCCCCCCC(=O)N(C)CC 6740e9d18ac65bb5e15031a8335c5fb0 [1,1,0,0,0,0|0,0,2]=4 2013 B20R0.112 C=C(CC)C(=O)NCCCCCCCCCCCCCC b4fadb90abaf4cef2e481ba403855fc0 [1,1,0,0,0,0|2,0,0]=4 2014 B20R0.112 C=C(CO)C(=O)NCCCCCCCCCCCCCC 260259fc69203cb0d5338ac1b7b94bf1 [1,1,0,0,0,0|1,0,1]=4 2015 B20R0.112 C=CCCCCCCCCCCCCCC(=O)N(C)CC 01b87a865b4033b02fb2cdf2c712cc39 [1,1,0,0,0,0|0,0,2]=4 2016 B20R0.112 CCCCCC/C=C/CCCCCCCC(=O)N(C)CC b83b810660b127e8577bc94fdec0f07a [1,1,0,0,0,0|0,0,2]=4 2017 B20R0.112 CCCCCC/C=C\CCCCCCCC(=O)N(C)CC ab201b74f7031c338a3ed71070bca741 [1,1,0,0,0,0|0,0,2]=4 2018 B20R0.112 CCCCCCC=CCCCCCCCC(=O)N(C)CC 300bf0997d406fc5e5c33fd8f86e2b29 [1,1,0,0,0,0|0,0,2]=4 2019 B20R0.112 CCCCCCCCC/C=C\CCCCC(=O)N(C)CC ad60ffb0cfcd1d3e2843232df250cb8f [1,1,0,0,0,0|0,0,2]=4 2020 B20R0.112 CCCCCCCCCCCC/C=C/CC(=O)N(C)CC 503ef9b5f084cb99c15e987a07173aeb [1,1,0,0,0,0|0,0,2]=4 2021 B20R0.112 CCCCCCCCCCCCC/C=C/C(=O)N(C)CC 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b20602c52d1cceed418aadd98d01ddfe [1,1,0,0,0,0|1,0,0]=3 2142 B20R0.28923 CCCCCCCCCCC(C)COCCC(=O)OCC 68d8a8fee6d31341745de42049339a08 [1,1,0,0,0,0|2,0,0]=4 2143 B20R0.28923 CCCCCCCCCCC(C)OCCCC(=O)OCC fae988ede9c255978df53cdd816d0a9c [1,1,0,0,0,0|2,0,0]=4 2144 B20R0.28923 CCCCCCCCCCC(O)CCCCC(=O)NC#N 99b69dff4ea8e58ac08015425f6bd281 [1,1,0,0,0,0|1,0,1]=4 2145 B20R0.28923 CCCCCCCCCCN(C)CCCCC(=O)OCC 7bbefeb1843587d2f0de0e0610e75dca [1,1,0,0,0,0|2,0,0]=4 2146 B20R0.28923 CCCCCCCCCC[C@H](C)OCCCC(=O)OCC 21bec4b8c0ae1827b5c18fad47287bf5 [1,1,0,0,0,0|2,0,0]=4 2147 B20R0.32299 CCCCCCC(C)CCOCCCCCC(=O)OCC 9568fda7e18b96c72c646e83443dd99e [1,1,0,0,0,0|2,0,0]=4 2148 B20R0.32299 CCCCCCC(C)NCCCCCCCC(=O)OCC 2abb2feef235d32762cb82412eb12153 [1,1,0,0,0,0|2,0,0]=4 2149 B20R0.32299 CCCCCCC(C)OCCCCCCCC(=O)OCC 87066d416b53625710e71bf4c6aaad30 [1,1,0,0,0,0|2,0,0]=4 2150 B20R0.32299 CCCCCCC(O)CCCCCCCCC(=O)NC#N 67bfe68185f5bdec898e649dca6f3b7d [1,1,0,0,0,0|1,0,1]=4 2151 B20R0.32299 CCCCCC[C@@H](C)NCCCCCCCC(=O)OCC 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CCCCCCCCCCCNCC(O)CC(=O)OCC ec720d01979d9610cb30dbb2cfedf156 [1,1,0,0,0,0|2,0,0]=4 2162 B20R0.32384 CCCCCCCCCCCNC[C@@H](O)CC(=O)OCC 1a677b21aaa98c14ccf141bf892db92e [1,1,0,0,0,0|2,0,0]=4 2163 B20R0.32384 CCCCCCCCCCCNC[C@H](O)CC(=O)OCC 6e0dd492914a86b6106f08ebb9206d27 [1,1,0,0,0,0|2,0,0]=4 2164 B20R0.32384 CCCCCCCCCCCOCC(F)CC(=O)OCC 91a93235d952b253960baf9d683643d8 [1,1,0,0,0,0|2,0,0]=4 2165 B20R0.32504 CCCCCCCCCCCCCCC(F)C(=O)NC#N 127b6c1604a7a88f3baf6e8bb55ba608 [1,1,0,0,0,0|1,0,1]=4 2166 B20R0.32504 CCCCCCCCCCCCCCC(O)C(=O)NC#N 51c2c5a5d179bd8276d09e997d0592fb [1,1,0,0,0,0|1,0,1]=4 2167 B20R0.32504 CCCCCCCCCCCCCCN(C)C(=O)CCC 1fbd2b0dfbb9df434d5914a479ff520d [1,1,0,0,0,0|2,0,0]=4 2168 B20R0.32504 CCCCCCCCCCCCCCN(C)C(=O)CCF bd536292f19f28c35ce88c23b91d4f58 [1,1,0,0,0,0|2,0,0]=4 2169 B20R0.32504 CCCCCCCCCCCCCCN(C)C(=O)CCO 7d95ec46fd29147c78c9bc19ac088859 [1,1,0,0,0,0|1,0,0]=3 2170 B20R0.32504 CCCCCCCCCCCCCCN(C)C(=O)CCS abfa07eb766cc0ffb1d150fd0f34def5 [1,1,0,0,0,0|1,1,0]=4 2171 B20R0.32504 CCCCCCCCCCCCCC[C@H](O)C(=O)NC#N b4887229881eeb265329ab3011da9346 [1,1,0,0,0,0|1,0,1]=4 2172 B20R0.32504 CCCCCCCCCCCCCNC(=O)C(=O)NCC 3e9e324f9d3bcf2f05f4a5419c726a99 [1,1,0,0,0,0|1,0,1]=4 2173 B20R0.32504 CCCCCCCCCCCCCNC(C)C(=O)NCC 5cb8c01f5419bb745195faec84dec734 [1,1,0,0,0,0|1,0,0]=3 2174 B20R0.32504 CCCCCCCCCCCCCNC(C)C(=O)OCC c3ae0d156622a28b75e5b3a60d065a30 [1,1,0,0,0,0|2,0,0]=4 2175 B20R0.32504 CCCCCCCCCCCCCNC(F)C(=O)OCC 89f08a52ca80acb67f48f16d8aaedb6c [1,1,0,0,0,0|2,0,0]=4 2176 B20R0.32504 CCCCCCCCCCCCCN[C@@H](C)C(=O)NCC 420f8f51d6b6460a9bdd2014f82966de [1,1,0,0,0,0|1,0,0]=3 2177 B20R0.32504 CCCCCCCCCCCCCN[C@@H](C)C(=O)OCC eb996f5e98e1f96b4cdb5f18e1a39c30 [1,1,0,0,0,0|2,0,0]=4 2178 B20R0.32504 CCCCCCCCCCCCCN[C@H](C)C(=O)OCC 4f30dd42feca3499dea68767690711a4 [1,1,0,0,0,0|2,0,0]=4 2179 B20R0.32504 CCCCCCCCCCCCCOC(C)C(=O)NCC 50046b01cacbc195b25cb1828d45b35c [1,1,0,0,0,0|1,0,0]=3 2180 B20R0.32504 CCCCCCCCCCCCCOC(C)C(=O)OCC 3c90055d905ba3ba899017502a730ed0 [1,1,0,0,0,0|2,0,0]=4 2181 B20R0.32504 CCCCCCCCCCCCCOC(F)C(=O)OCC 0cec1949b44a68e280f5f73390d4a773 [1,1,0,0,0,0|2,0,0]=4 2182 B20R0.32504 CCCCCCCCCCCCCO[C@@H](C)C(=O)OCC 50a2425642ab5b9b8311fcd45709bf7b [1,1,0,0,0,0|2,0,0]=4 2183 B20R0.32504 CCCCCCCCCCCCCO[C@H](C)C(=O)OCC d07d5b32f6f89a3f23f746004c6490a8 [1,1,0,0,0,0|2,0,0]=4 2184 B20R0.32504 CCCCCCCCCCCCNCC(C)C(=O)OCC 694622031953727efedd6de203e13109 [1,1,0,0,0,0|2,0,0]=4 2185 B20R0.32504 CCCCCCCCCCCCNCC(O)C(=O)OCC dc343b4b5bd7cb7594c65d684b027235 [1,1,0,0,0,0|2,0,0]=4 2186 B20R0.32504 CCCCCCCCCCCCOCC(C)C(=O)OCC f564815944368b9fa6a3398a2807c5c3 [1,1,0,0,0,0|2,0,0]=4 2187 B20R0.32504 CCCCCCCCCCOCCOC(C)C(=O)NCC f1e6bb092c149c9e05e2699d9f9c6e9c [1,1,0,0,0,0|2,0,0]=4 2188 B20R0.32504 CCCCCCCCCCSCCOC(C)C(=O)NCC 37a56ae88bc3784c0917e475756f12ea [1,1,0,0,0,0|2,0,0]=4 2189 B20R0.32504 CCCCCCNCCCCCCCC(C)C(=O)OCC 9834ea5a8a0594a40563bbb93a6f3020 [1,1,0,0,0,0|2,0,0]=4 2190 B20R0.32504 CCNC(=O)C(C)NCCCCCCCCCCCCO 50d385144e3595d760eee30e6b451f88 [1,1,0,0,0,0|2,0,0]=4 2191 B20R0.32504 CCNC(=O)[C@H](C)NCCCCCCCCCCCCO 7042fb9ce5b6a014c555a24dac14df75 [1,1,0,0,0,0|2,0,0]=4 2192 B20R0.32504 CCNC(=O)[C@H](C)NCCCCCCCCCCCCS f68e4b0d909b9a8a6ae75a6f6214e6af [1,1,0,0,0,0|2,0,0]=4 2193 B20R0.32511 CCCCCCCCCCCCCCCN(CC)CCO 4b8881c2bb9bd7cdd71bef8e0eb6d3c9 [1,1,0,0,0,0|2,0,0]=4 2194 B20R0.32511 CCCCCCCCCCCCCCCN(CO)CCO b0ec5826e7d0941611f2ce3aa138ed58 [1,1,0,0,0,0|1,0,1]=4 2195 B20R0.32784 CCCCCCCCCCCCC(=O)NCC(=O)NCC 528381f7dccdb77d6061e22042e5e370 [1,1,0,0,0,0|1,0,1]=4 2196 B20R0.32784 CCCCCCCCCCCCC(C)NCC(=O)NCC 537b8c806942ed904d291035766b837b [1,1,0,0,0,0|1,0,0]=3 2197 B20R0.32784 CCCCCCCCCCCCC(C)NCC(=O)OCC f98534f7d20e615e38c5053aa4540809 [1,1,0,0,0,0|2,0,0]=4 2198 B20R0.32784 CCCCCCCCCCCCC(C)OCC(=O)NCC fa883b56cc3e93195e189658d8f9dbeb [1,1,0,0,0,0|1,0,0]=3 2199 B20R0.32784 CCCCCCCCCCCCC(C)OCC(=O)OCC 554033186374a24d9b104eb38089c56e [1,1,0,0,0,0|2,0,0]=4 2200 B20R0.32784 CCCCCCCCCCCCN(C)CCC(=O)NCC da3e641d756e556885838605b611af82 [1,1,0,0,0,0|1,0,0]=3 2201 B20R0.32784 CCCCCCCCCCCCN(C)CCC(=O)OCC 3ef63ec563ea631bbb83af59e12436e3 [1,1,0,0,0,0|2,0,0]=4 2202 B20R0.32784 CCCCCCCCCCCNC(=O)CCC(=O)NCC a139b4827efbf7061923c517350f1c37 [1,1,0,0,0,0|1,0,1]=4 2203 B20R0.32784 CCCCCCCCCCCNC(C)CCC(=O)OCC 069dd7a30ac6c1b5ae2cfe93e5ba5283 [1,1,0,0,0,0|2,0,0]=4 2204 B20R0.32784 CCCCCCCCCCCOC(C)CCC(=O)OCC beb0e12bfdb6ad4c7758e519ada9ad81 [1,1,0,0,0,0|2,0,0]=4 2205 B20R0.3041 C#CCCCCCCCCCCCCC(=O)NCC(C)O 3b209d60fb7ec915635eb38a4d1d6e26 [1,1,0,0,0,0|0,0,2]=4 2206 B20R0.3041 C#CCCCCCCCCCCCCC(=O)NC[C@@H](C)O b95e1ac66956f9625b085a923757f732 [1,1,0,0,0,0|0,0,2]=4 2207 B20R0.3041 C#CCCCCCCCCCCCCC(=O)NC[C@H](C)O 0c94342d9102bbfaa0066e1f53b282ad [1,1,0,0,0,0|0,0,2]=4 2208 B20R0.3041 C=C(C)CNC(=O)CCCCCCCCCCCCCC 23f44cf72f083aaf29d1d6b6ec59f237 [1,1,0,0,0,0|1,0,1]=4 2209 B20R0.3041 C=CCCCCCCCCCCCCC(=O)NCC(C)O d0ef54f6a4d970bf73a0be7e8740ac36 [1,1,0,0,0,0|0,0,2]=4 2210 B20R0.3041 C=CCCCCCCCCCCCCC(=O)NC[C@@H](C)O 692c96dab14083f0b2ed3a7729cc4048 [1,1,0,0,0,0|0,0,2]=4 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[1,1,0,0,0,0|0,0,2]=4 2221 B20R0.3041 CCCC/C=C\CCCCCCCCC(=O)NCC(C)O 6e3a5140033de72352d73aeec764cf3d [1,1,0,0,0,0|0,0,2]=4 2222 B20R0.3041 CCCC/C=C\CCCCCCCCC(=O)NC[C@@H](C)O 9c964c03e0a739a846e4e9db7de5f671 [1,1,0,0,0,0|0,0,2]=4 2223 B20R0.3041 CCCC/C=C\CCCCCCCCC(=O)NC[C@H](C)O 1aaa37e8c6ec9cabb14c0432b811a1a1 [1,1,0,0,0,0|0,0,2]=4 2224 B20R0.3041 CCCCCCCCCCCCCCC(=O)NCC(=O)C 69e9e28487aa606598f18ac2a3981ec7 [1,1,0,0,0,0|0,0,2]=4 2225 B20R0.3041 CCCCCCCCCCCCCCC(=O)NCC(=O)N 215ca532b1a635b8e259c136f30b80a9 [1,1,0,0,0,0|0,0,2]=4 2226 B20R0.3041 CCCCCCCCCCCCCCC(=O)NCC(C)C 1c626e09a2790d8c0a6850e43dec1d5d [1,1,0,0,0,0|1,0,0]=3 2227 B20R0.3041 CCCCCCCCCCCCCCC(=O)NCC(C)O 68d6189b70b69389874e19eaa00d68fe [1,1,0,0,0,0|0,0,0]=2 2228 B20R0.3041 CCCCCCCCCCCCCCC(=O)NCC(F)F e0f44380e7dad7b18a8423cccfc63277 [1,1,0,0,0,0|1,0,0]=3 2229 B20R0.3041 CCCCCCCCCCCCCCC(=O)NC[C@@H](C)O caf1894d38aaac8ae12e58e9e91b052e [1,1,0,0,0,0|0,0,0]=2 2230 B20R0.3041 CCCCCCCCCCCCCCC(=O)NC[C@H](C)O faef4bec88203301f4906045c4ca3ad7 [1,1,0,0,0,0|0,0,0]=2 2231 B20R0.3041 CCCCCCCCCCCCCNC(=O)CCC(C)O 5d5aeaa4621838b98aa24bfdbbc060ee [1,1,0,0,0,0|2,0,0]=4 2232 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(=O)O dde1775dfa98084e6bd8d1f47b5ca867 [1,1,0,0,0,0|1,0,1]=4 2233 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(C)C 766f1f03a0e02abc8508fb08650245e1 [1,1,0,0,0,0|2,0,0]=4 2234 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(C)O d512aa1c3060eb9efd70e88f433b1385 [1,1,0,0,0,0|1,0,0]=3 2235 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(F)F 367f9c34e278f25e13a879a21ed48f46 [1,1,0,0,0,0|2,0,0]=4 2236 B20R0.3041 CCCCCCCCCCCCCNC(=O)NC[C@@H](C)O 30ef9a6076d0ce8c74be32beda546238 [1,1,0,0,0,0|1,0,0]=3 2237 B20R0.3041 CCCCCCCCCCCCCNC(=O)NC[C@H](C)O 54b408516bfacee0ff1851f3f838a873 [1,1,0,0,0,0|1,0,0]=3 2238 B20R0.3041 CCCCCCCCCCCCCNC(=S)NCC(C)O a58c2711ff3e1ec28f2e42def6fa2ce5 [1,1,0,0,0,0|1,1,0]=4 2239 B20R0.3041 CCCCCCCCCCCCCNC(=S)NC[C@@H](C)O ff6b92059acc6fc0cd2683735c5dff64 [1,1,0,0,0,0|1,1,0]=4 2240 B20R0.3041 CCCCCCCCCCCCCNC(=S)NC[C@H](C)O 60d9e9930d79ad2462b3b10d6154aa24 [1,1,0,0,0,0|1,1,0]=4 2241 B20R0.3041 CCCCCCCCCCCCNCC(=O)NCC(=O)O 08e2a05a29f767a63dad2860ce44fdbd [1,1,0,0,0,0|1,0,1]=4 2242 B20R0.3041 CCCCCCCCCCCCNCC(=O)NCC(C)C b0335738f1e05aec7ceb611ee273005f [1,1,0,0,0,0|2,0,0]=4 2243 B20R0.3041 CCCCCCCCCCCCOCC(=O)NCC(=O)O c14aa5f89827bbc5ed6c2b105d8d12eb [1,1,0,0,0,0|1,0,1]=4 2244 B20R0.3041 CCCCCCCCCCCCOCC(=O)NCC(C)C 53e12129af45f6d87b7d4fec7e0206c9 [1,1,0,0,0,0|2,0,0]=4 2245 B20R0.3041 CCCCCCCCCCNCCCC(=O)NCC(C)C 03bbb1fd689bbbb954c46a9ba3f9ec97 [1,1,0,0,0,0|2,0,0]=4 2246 B20R0.3041 CCCCCCCCCCOCCCC(=O)NCC(C)C e750ef7ffd6447a81227defeb451fc40 [1,1,0,0,0,0|2,0,0]=4 2247 B20R0.3041 C[C@@H](O)CNC(=O)CCCCCCCCCCCCCO 74f9d00f7a11f48ce344714d152f1b60 [1,1,0,0,0,0|1,0,0]=3 2248 B20R0.3041 C[C@@H](O)CNC(=O)CCCCCCCCCCCCCS 0eac7f21a71bb4a57f10985cb4c34134 [1,1,0,0,0,0|1,0,0]=3 2249 B20R0.3041 C[C@@H](O)CNC(=O)NCCCCCCCCCCCCN 4a50a1792f0377b2f2f25246c0457405 [1,1,0,0,0,0|2,0,0]=4 2250 B20R0.3041 C[C@@H](O)CNC(=O)NCCCCCCCCCCCCO eb4781dcaf0be493792c70356bcb4842 [1,1,0,0,0,0|2,0,0]=4 2251 B20R0.3041 C[C@H](O)CNC(=O)CCCCCCCCCCCCCO 64b1085c82b9addf42b53b05c3f53d48 [1,1,0,0,0,0|1,0,0]=3 2252 B20R0.3041 C[C@H](O)CNC(=O)CCCCCCCCCCCCCS 47db698f88e68f307713dab26a4c8df2 [1,1,0,0,0,0|1,0,0]=3 2253 B20R0.3041 C[C@H](O)CNC(=O)NCCCCCCCCCCCCN 4ae474fa2e66880514aff38c752d9b1e [1,1,0,0,0,0|2,0,0]=4 2254 B20R0.3041 C[C@H](O)CNC(=O)NCCCCCCCCCCCCO 6ea89d9693e094e6ee0c378045347157 [1,1,0,0,0,0|2,0,0]=4 2255 B20R0.3041 O=C(CCCCCCCCCCCCCO)NCC(F)F 65d07e34e8f39cb07b1d8a5c7463ec3e [1,1,0,0,0,0|2,0,0]=4 2256 B20R0.3041 O=C(CCCCCCCCCCCCCS)NCC(F)F 5e2cc1c2d8c407d1065b2a3835264e9e [1,1,0,0,0,0|2,0,0]=4 2257 B20R0.13915 C#CCNC(=O)CCCCCCC(O)CCCCCCC cb3022950395d816c7f1b5817bd8caf1 [1,1,0,0,0,0|1,0,1]=4 2258 B20R0.13915 CCCCCCCC(=O)CCCCCCC(=O)NCCBr 51c9f273015e591f8139c56aaa58c3a5 [1,1,0,0,0,0|1,0,1]=4 2259 B20R0.13915 CCCCCCCC(=O)CCCCCCC(=O)NCCC ae9d694e12431715636ede183d5aec80 [1,1,0,0,0,0|1,0,1]=4 2260 B20R0.13915 CCCCCCCC(=O)CCCCCCC(=O)NCCF 8548499ccf1db84b01af6f4621cc64bd [1,1,0,0,0,0|1,0,1]=4 2261 B20R0.13915 CCCCCCCC(=O)CCCCCCC(=O)NCCI 7abf19f0b6617f407d86ec6cafc8e516 [1,1,0,0,0,0|1,0,1]=4 2262 B20R0.13915 CCCCCCCC(=O)CCCCCCC(=O)NCCO 50aa02bd46993d67894aba7b9ec62103 [1,1,0,0,0,0|0,0,1]=3 2263 B20R0.13915 CCCCCCCC(=O)CCCCCCC(=O)NCCS 774066ca1690a82b6584dc53337a6383 [1,1,0,0,0,0|0,1,1]=4 2264 B20R0.13915 CCCCCCCC(O)CCCCCCC(=O)NCC#N 16069cdd572f0da00295ca9ea9238e89 [1,1,0,0,0,0|1,0,1]=4 2265 B20R0.13915 CCCCCCCC(O)CCCCCCC(=O)NCCBr 3cf814a87fcaf90e2be1d3df6f4550cb [1,1,0,0,0,0|1,0,0]=3 2266 B20R0.13915 CCCCCCCC(O)CCCCCCC(=O)NCCC 908327216a135ecdc8195ddc62465545 [1,1,0,0,0,0|1,0,0]=3 2267 B20R0.13915 CCCCCCCC(O)CCCCCCC(=O)NCCF 8256178da78d20a01f69fa11f234930b [1,1,0,0,0,0|1,0,0]=3 2268 B20R0.13915 CCCCCCCC(O)CCCCCCC(=O)NCCI e8565152e4637718a922c9fbd921f3e1 [1,1,0,0,0,0|1,0,0]=3 2269 B20R0.13915 CCCCCCCC(O)CCCCCCC(=O)NCCO cae7fba829f37bd32bbffaabf777d42f [1,1,0,0,0,0|0,0,0]=2 2270 B20R0.13915 CCCCCCCC(O)CCCCCCC(=O)NCCS f22b4ccd7d4e1ca5d2397846bd76bd81 [1,1,0,0,0,0|0,1,0]=3 2271 B20R0.16711 CCCCCCCCC(C)COCCCC(=O)NCCC a7cffc1cef413fea357632bff7c4ee2f [1,1,0,0,0,0|2,0,0]=4 2272 B20R0.18618 C#CCNC(=O)CCCCCCCC(O)CCCCCC 3c4e392ab8b30dfad949c7459b03c6de [1,1,0,0,0,0|1,0,1]=4 2273 B20R0.18618 CCCCCCC(=O)CCCCCCCC(=O)NCCBr d939ea853a56a4e5aa5858e9afc0a58e [1,1,0,0,0,0|1,0,1]=4 2274 B20R0.18618 CCCCCCC(=O)CCCCCCCC(=O)NCCC 3cd96690134a74bd0fc5d826d6f40fd2 [1,1,0,0,0,0|1,0,1]=4 2275 B20R0.18618 CCCCCCC(=O)CCCCCCCC(=O)NCCF 8a83dc30c7210e000935301083c88f25 [1,1,0,0,0,0|1,0,1]=4 2276 B20R0.18618 CCCCCCC(=O)CCCCCCCC(=O)NCCI a74631d237ca1bb1193ba08f70847403 [1,1,0,0,0,0|1,0,1]=4 2277 B20R0.18618 CCCCCCC(=O)CCCCCCCC(=O)NCCO c4b50e95150aa7ecd41c1ab2bb5089a9 [1,1,0,0,0,0|0,0,1]=3 2278 B20R0.18618 CCCCCCC(=O)CCCCCCCC(=O)NCCS 2ab5dc16c2a9b0c21cfd48fe3b7461c5 [1,1,0,0,0,0|0,1,1]=4 2279 B20R0.18618 CCCCCCC(O)CCCCCCCC(=O)NCC#N 8edf846c67b8eab58351d457bfdee187 [1,1,0,0,0,0|1,0,1]=4 2280 B20R0.18618 CCCCCCC(O)CCCCCCCC(=O)NCCBr 7de330a8fba2d8351456a4432967faab [1,1,0,0,0,0|1,0,0]=3 2281 B20R0.18618 CCCCCCC(O)CCCCCCCC(=O)NCCC 52862cf3e830cb22b64ac36913c299e9 [1,1,0,0,0,0|1,0,0]=3 2282 B20R0.18618 CCCCCCC(O)CCCCCCCC(=O)NCCF 5f28dc7d8dd69af8e2edcf2800049cf3 [1,1,0,0,0,0|1,0,0]=3 2283 B20R0.18618 CCCCCCC(O)CCCCCCCC(=O)NCCI d5e8f44ac1fd929e89304e49388c3014 [1,1,0,0,0,0|1,0,0]=3 2284 B20R0.18618 CCCCCCC(O)CCCCCCCC(=O)NCCO f36636d35bea722b53904d3bb832c78a [1,1,0,0,0,0|0,0,0]=2 2285 B20R0.18618 CCCCCCC(O)CCCCCCCC(=O)NCCS 033edb77c6d69986ac516126722d3cc3 [1,1,0,0,0,0|0,1,0]=3 2286 B20R0.22321 CCCCCCCCCCCCNC(C)C(=O)NCCC 2f2ceef5a57c4d93ef8582cbfa528223 [1,1,0,0,0,0|2,0,0]=4 2287 B20R0.22321 CCCCCCCCCCCCOC(C)C(=O)NCCC fb6a2ebb8005b470c5397b2e7604c570 [1,1,0,0,0,0|2,0,0]=4 2288 B20R0.28390 CCCCCCCCCCCC(=O)NCC(=O)NCCO 85437bde74e6d2876acef202db8fad94 [1,1,0,0,0,0|1,0,1]=4 2289 B20R0.28390 CCCCCCCCCCCC(C)OCC(=O)NCCC 4ecd7d8732e003552dea5a00113a50d7 [1,1,0,0,0,0|2,0,0]=4 2290 B20R0.28390 CCCCCCCCCCNC(=O)CCC(=O)NCCO 1aa8162f9fb32e5dc8c93b22e7892c0c [1,1,0,0,0,0|1,0,1]=4 2291 B20R0.32432 CCCCCCCCCCC(C)COCC(=O)NCCC 4938910c3d62e401899c95d977e2a37e [1,1,0,0,0,0|2,0,0]=4 2292 B20R0.32432 CCCCCCCCCCN(C)CCCC(=O)NCCC f7047f31f62410ac867588852f8b9ea4 [1,1,0,0,0,0|2,0,0]=4 2293 B20R0.32444 C#CCNC(=O)CCCCCCCCCCCCC(C)C 7234eebcb7608eacb0d2e4f80dffbcf7 [1,1,0,0,0,0|1,0,1]=4 2294 B20R0.32444 CC(C)CCCCCCCCCCCCC(=O)NCC#N 8609a2b2be251f033e456ce2f5180e0e [1,1,0,0,0,0|1,0,1]=4 2295 B20R0.32444 CC(C)CCCCCCCCCCCCC(=O)NCCBr a36a3882fc6c9b20279395cd66dfcbc4 [1,1,0,0,0,0|1,0,0]=3 2296 B20R0.32444 CC(C)CCCCCCCCCCCCC(=O)NCCF ded6d1aafd4e0b53ec2a277bf47f21fb [1,1,0,0,0,0|1,0,0]=3 2297 B20R0.32444 CC(C)CCCCCCCCCCCCC(=O)NCCI 0953368fc120202b97058c9fb70c4476 [1,1,0,0,0,0|1,0,0]=3 2298 B20R0.32444 CC(C)CCCCCCCCCCCCC(=O)NCCO cab31d02902976b582c47bf4be110239 [1,1,0,0,0,0|0,0,0]=2 2299 B20R0.32444 CC(C)CCCCCCCCCCCCC(=O)NCCS fcd9cbf06d360a53407895bb33b73052 [1,1,0,0,0,0|0,1,0]=3 2300 B20R0.32444 CCCNC(=O)CCCCCCCCCCCCC(C)C 574e56b64e34f72eb1c6480485921d4d [1,1,0,0,0,0|1,0,0]=3 2301 B20R0.32444 CCCNC(=O)CCCCCCCCCCCCC(O)O 68a6cbef93677e1e601f5d7c0d76e0d4 [1,1,0,0,0,0|2,0,0]=4 2302 B20R0.32444 CCCNC(=O)CCCOCCCCCCCCC(C)C 903cd7da0960f55960ce242688af47f5 [1,1,0,0,0,0|2,0,0]=4 2303 B20R0.32444 CCCNC(=O)COCCCCCCCCCCC(C)C 417b31b9fae87a990a92b41a3c12ada7 [1,1,0,0,0,0|2,0,0]=4 2304 B20R0.32444 O=C(CCCCCCCCCCCCC(O)O)NCCBr 3fda19da1fd63ded06de87ebb31ac8cb [1,1,0,0,0,0|2,0,0]=4 2305 B20R0.32444 O=C(CCCCCCCCCCCCC(O)O)NCCF 5fece787d598ff83e93b95ff673f5e10 [1,1,0,0,0,0|2,0,0]=4 2306 B20R0.32444 O=C(CCCCCCCCCCCCC(O)O)NCCI 2d4649b345e81d02cb49c7dc645161e3 [1,1,0,0,0,0|2,0,0]=4 2307 B20R0.32444 O=C(CCCCCCCCCCCCC(O)O)NCCO 73ac7d2acb7a6bbb219b40bd6ddf35b5 [1,1,0,0,0,0|1,0,0]=3 2308 B20R0.32444 O=C(CCCCCCCCCCCCC(O)O)NCCS e87ac7ea79cda7c5e0c10d364114794b [1,1,0,0,0,0|1,1,0]=4 2309 B20R0.32503 C#CC(C)NC(=O)CCCCCCCCCCCCCC 1c4f0e3ecd78ee924a200781ac8bec0a [1,1,0,0,0,0|1,0,1]=4 2310 B20R0.32503 C#CCCCCCCCCCCCCC(=O)NC(C)CO 4da4d1f1387b99ba462ca5b72f7a2155 [1,1,0,0,0,0|0,0,2]=4 2311 B20R0.32503 C#CCCCCCCCCCCCCC(=O)N[C@@H](C)CO a69812bfd6588831dc1f31dbaf37f464 [1,1,0,0,0,0|0,0,2]=4 2312 B20R0.32503 C#CCCCCCCCCCCCCC(=O)N[C@H](C)CO e379e4db0d92ac682cd2d775c0ff4f18 [1,1,0,0,0,0|0,0,2]=4 2313 B20R0.32503 C#C[C@@H](C)NC(=O)CCCCCCCCCCCCCC cde1788b61b343058e696c2d2e83e5ab [1,1,0,0,0,0|1,0,1]=4 2314 B20R0.32503 C#C[C@H](C)NC(=O)CCCCCCCCCCCCCC a557fd16134d87b424f240830693843f [1,1,0,0,0,0|1,0,1]=4 2315 B20R0.32503 C=CC(C)NC(=O)CCCCCCCCCCCCCC 5fa7fc5b54679f7dfc6c78450f3fd12f [1,1,0,0,0,0|1,0,1]=4 2316 B20R0.32503 C=CCCCCCCCCCCCCC(=O)NC(C)CO f36e37a41643b56c310ac9ef4e7ccb75 [1,1,0,0,0,0|0,0,2]=4 2317 B20R0.32503 C=CCCCCCCCCCCCCC(=O)N[C@@H](C)CO 6eaa008a248f083b7bacc6b3de54cd78 [1,1,0,0,0,0|0,0,2]=4 2318 B20R0.32503 C=CCCCCCCCCCCCCC(=O)N[C@H](C)CO f4f9e8f8dfa409bf16257fd9550b7d34 [1,1,0,0,0,0|0,0,2]=4 2319 B20R0.32503 CC(CO)NC(=O)CCCCCCCCCCCCCO ce25651001826ae3af33e5dfa3e984ec [1,1,0,0,0,0|1,0,0]=3 2320 B20R0.32503 CC(CO)NC(=O)CCCCCCCCCCCCCS 094a32ba5577c815e2f003ddb6004a5d [1,1,0,0,0,0|1,0,0]=3 2321 B20R0.32503 CC(CO)NC(=O)CNCCCCCCCCCCCO f655fb9a98af239e79b6089beacdda57 [1,1,0,0,0,0|2,0,0]=4 2322 B20R0.32503 CC(CO)NC(=O)NCCCCCCCCCCCCN ab7a0ac8e182850762f3dadc7d922b26 [1,1,0,0,0,0|2,0,0]=4 2323 B20R0.32503 CC(CO)NC(=O)NCCCCCCCCCCCCO 26b22dac5bc921c7a3d431d22a51457c [1,1,0,0,0,0|2,0,0]=4 2324 B20R0.32503 CCC(C)NC(=O)CCCCCCCCCCCCCO 506180fb8eb5ec6e937b6e7c80ad4524 [1,1,0,0,0,0|2,0,0]=4 2325 B20R0.32503 CCC(C)NC(=O)CCCCCCCCCCCCCS 2273f3cc60e8246520dabe0946f25651 [1,1,0,0,0,0|2,0,0]=4 2326 B20R0.32503 CCCC/C=C/CCCCCCCCC(=O)NC(C)CO e3512029b4aaf463d048408eb9655ea6 [1,1,0,0,0,0|0,0,2]=4 2327 B20R0.32503 CCCC/C=C/CCCCCCCCC(=O)N[C@@H](C)CO 3ba8cccd126174ce8372e7ff74f00c36 [1,1,0,0,0,0|0,0,2]=4 2328 B20R0.32503 CCCC/C=C/CCCCCCCCC(=O)N[C@H](C)CO 0ea3156263efdd3797d701072218899f [1,1,0,0,0,0|0,0,2]=4 2329 B20R0.32503 CCCC/C=C\CCCCCCCCC(=O)NC(C)CO 3abfb2b3e73ebfd3b6138046950d3db4 [1,1,0,0,0,0|0,0,2]=4 2330 B20R0.32503 CCCC/C=C\CCCCCCCCC(=O)N[C@@H](C)CO 21dc41387b424153b561fc0abea5844e [1,1,0,0,0,0|0,0,2]=4 2331 B20R0.32503 CCCC/C=C\CCCCCCCCC(=O)N[C@H](C)CO e76080b48a00d0f6b6fa89345a48a58a [1,1,0,0,0,0|0,0,2]=4 2332 B20R0.32503 CCCCCCCCCCCCCCC(=O)NC(C)C#N f5cb378836413486a87e17225a52dfce [1,1,0,0,0,0|1,0,1]=4 2333 B20R0.32503 CCCCCCCCCCCCCCC(=O)NC(C)CC 499d5228d6306e4d4a075472feb51d0e [1,1,0,0,0,0|1,0,0]=3 2334 B20R0.32503 CCCCCCCCCCCCCCC(=O)NC(C)CO e3cc1525c6b23d489c9c0d5443cede13 [1,1,0,0,0,0|0,0,0]=2 2335 B20R0.32503 CCCCCCCCCCCCCCC(=O)N[C@@H](C)CC 4bf7b1dce12645431b7162f34dd821db [1,1,0,0,0,0|1,0,0]=3 2336 B20R0.32503 CCCCCCCCCCCCCCC(=O)N[C@@H](C)CO 0296542c4c116eaddd10aef5973a784c [1,1,0,0,0,0|0,0,0]=2 2337 B20R0.32503 CCCCCCCCCCCCCCC(=O)N[C@H](C)CC f5010c9bf8af22932672bfcb752d31bd [1,1,0,0,0,0|1,0,0]=3 2338 B20R0.32503 CCCCCCCCCCCCCCC(=O)N[C@H](C)CO 60dcd636fb122c2ab9bd4834aa0a6049 [1,1,0,0,0,0|0,0,0]=2 2339 B20R0.32503 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CCCC(=O)CCCCCCCCCCCC(=O)NCCCCl d5eb378bcbb6ede98e159b8d07a2d796 [0,2,0,0,0,0|1,0,1]=4 2389 B22R0.2837 CCCC(=O)CCCCCCCCCCCC(=O)NCCCO eb515583ea10c26d9e86c3639109dacc [0,2,0,0,0,0|0,0,1]=3 2390 B22R0.2837 CCCC(=O)CCCCCCCCCCCC(=O)NCCOC 4c1a9182668cf93d1ae17899f634096f [0,2,0,0,0,0|0,0,1]=3 2391 B22R0.2837 CCCC(=O)CCCCCCCCCCCC(=O)NCCON ee280c2356a257b26ab4f2b7be789877 [0,2,0,0,0,0|0,0,1]=3 2392 B22R0.2837 CCCC(=O)CCCCCCCCCCCC(=O)NCCSC 158c3a2a3aff975356e1dd7a0e3cf85a [0,2,0,0,0,0|0,1,1]=4 2393 B22R0.2837 CCCC(O)CCCCCCCCCCCC(=O)NCCC#N c5efecbdfe8756c255971c917e2040ec [0,2,0,0,0,0|1,0,0]=3 2394 B22R0.2837 CCCC(O)CCCCCCCCCCCC(=O)NCCCCl 8f42bfb7c66e064baf76e843620530cf [0,2,0,0,0,0|1,0,0]=3 2395 B22R0.2837 CCCC(O)CCCCCCCCCCCC(=O)NCCCO 399aaeaf51e939438a36db78f52a02f3 [0,2,0,0,0,0|0,0,0]=2 2396 B22R0.2837 CCCC(O)CCCCCCCCCCCC(=O)NCCOC e3eb04d1dd7aa439b0ae433f925d7254 [0,2,0,0,0,0|0,0,0]=2 2397 B22R0.2837 CCCC(O)CCCCCCCCCCCC(=O)NCCON 2d654003870bc4cb1d90a57d8bcbee06 [0,2,0,0,0,0|0,0,0]=2 2398 B22R0.2837 CCCC(O)CCCCCCCCCCCC(=O)NCCSC b844c0ecfe5b7653bfcd358132407d33 [0,2,0,0,0,0|0,1,0]=3 2399 B22R0.2837 CCCCNC(=O)CCCCCCCCCCCC(=O)CCC e6f4081bac4da361309359714a1239f9 [0,2,0,0,0,0|1,0,1]=4 2400 B22R0.2837 CCCCNC(=O)CCCCCCCCCCCC(O)CCC 7fd69b66442afe5ec3811e7b43275bc9 [0,2,0,0,0,0|1,0,0]=3 2401 B22R0.2837 CCOC(=O)CCCCCCCCCCCC(=O)NCCCO 58d48956efe66454ab34981ab869dbd3 [0,2,0,0,0,0|1,0,1]=4 2402 B22R0.2837 CCOC(=O)CCCCCCCCCCCC(=O)NCCOC 6b685aa9d7d3a63468ac6c2673184335 [0,2,0,0,0,0|1,0,1]=4 2403 B22R0.2837 CCOC(=O)CCCCCCCCCCCC(=O)NCCON e9a175526cc18ead8207910b7c64df4f [0,2,0,0,0,0|1,0,1]=4 2404 B22R0.6255 C=C(Br)CNC(=O)CCCCCCCCCCCC(O)CCC 0001f2bd3b4b91f94f32faab05e75168 [0,2,0,0,0,0|1,0,1]=4 2405 B22R0.6255 C=C(C)CNC(=O)CCCCCCCCCCCC(O)CCC feb337e9589fca5cb8adaed328d95347 [0,2,0,0,0,0|1,0,1]=4 2406 B22R0.6255 CCCC(=O)CCCCCCCCCCCC(=O)NCC(C)C 097197937cd6040431341cc9f7b9573e [0,2,0,0,0,0|1,0,1]=4 2407 B22R0.6255 CCCC(=O)CCCCCCCCCCCC(=O)NCC(C)O 21727d95748e7c4251c465530e92b7af [0,2,0,0,0,0|0,0,1]=3 2408 B22R0.6255 CCCC(=O)CCCCCCCCCCCC(=O)NCC(F)F 11b58c15f1ee709e2ebb72a971983af4 [0,2,0,0,0,0|1,0,1]=4 2409 B22R0.6255 CCCC(=O)CCCCCCCCCCCC(=O)NC[C@@H](C)O e710a768fb50381d762bc1555d5de956 [0,2,0,0,0,0|0,0,1]=3 2410 B22R0.6255 CCCC(=O)CCCCCCCCCCCC(=O)NC[C@H](C)O e4510bf701cda4abab00e6c6ee358ee8 [0,2,0,0,0,0|0,0,1]=3 2411 B22R0.6255 CCCC(O)CCCCCCCCCCCC(=O)NCC(=O)C b95537e0d23e3f37e3ca02ed2c85cfe4 [0,2,0,0,0,0|0,0,2]=4 2412 B22R0.6255 CCCC(O)CCCCCCCCCCCC(=O)NCC(=O)N d0e909caba57db70737bcb090bd4a792 [0,2,0,0,0,0|0,0,2]=4 2413 B22R0.6255 CCCC(O)CCCCCCCCCCCC(=O)NCC(C)C afa2cc6b1aaadad6da9572664f1d9ff6 [0,2,0,0,0,0|1,0,0]=3 2414 B22R0.6255 CCCC(O)CCCCCCCCCCCC(=O)NCC(C)O 82120d87d8fa68111e27e994196a6395 [0,2,0,0,0,0|0,0,0]=2 2415 B22R0.6255 CCCC(O)CCCCCCCCCCCC(=O)NCC(F)F 0d79d6b2a2fe9b994204de75ff42a951 [0,2,0,0,0,0|1,0,0]=3 2416 B22R0.6255 CCCC(O)CCCCCCCCCCCC(=O)NC[C@@H](C)O f77d80736865be44948c70c0d0f28142 [0,2,0,0,0,0|0,0,0]=2 2417 B22R0.6255 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C=CCCNC(=O)CCCCCC(=O)CCCCCCCCC 868df2e58150e0c3a37960bb0e2482fd [0,2,0,0,0,0|1,0,1]=4 2658 B22R0.2880 C=CCCNC(=O)CCCCCC(O)CCCCCCCCC 41f8372e8efdb8e76ada40a2a2324f66 [0,2,0,0,0,0|1,0,0]=3 2659 B22R0.2880 CC#CCNC(=O)CCCCCC(O)CCCCCCCCC 4d01418f65ae431497f7e8c1d80a048a [0,2,0,0,0,0|1,0,1]=4 2660 B22R0.2880 CC=CCNC(=O)CCCCCC(O)CCCCCCCCC 219a67501a0f151f3500052e24c5e168 [0,2,0,0,0,0|1,0,1]=4 2661 B22R0.2880 CCCCCCCCCC(=O)CCCCCC(=O)NCCC#N 7dbde810dc77cb51c54896eab14c3c90 [0,2,0,0,0,0|1,0,1]=4 2662 B22R0.2880 CCCCCCCCCC(=O)CCCCCC(=O)NCCCC 9db4ce1b004a87c5366e407e8991d09e [0,2,0,0,0,0|1,0,1]=4 2663 B22R0.2880 CCCCCCCCCC(=O)CCCCCC(=O)NCCCCl 3b647ac037ac7c912b0f295ba3bac3d3 [0,2,0,0,0,0|1,0,1]=4 2664 B22R0.2880 CCCCCCCCCC(=O)CCCCCC(=O)NCCCO 62e6a2d52a67f11a3ab8457aaa104564 [0,2,0,0,0,0|0,0,1]=3 2665 B22R0.2880 CCCCCCCCCC(=O)CCCCCC(=O)NCCOC e510e192d9c501e3d0f9fd031edcf4cb [0,2,0,0,0,0|0,0,1]=3 2666 B22R0.2880 CCCCCCCCCC(=O)CCCCCC(=O)NCCON 0c636db480b5d388f5f5ec3efb63c122 [0,2,0,0,0,0|0,0,1]=3 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[0,2,0,0,0,0|1,0,0]=3 2677 B22R0.9363 C=CCCNC(=O)CCCC(=O)CCCCCCCCCCC 89cab7ebe905b4817687d1774c7fd631 [0,2,0,0,0,0|1,0,1]=4 2678 B22R0.9363 C=CCCNC(=O)CCCC(O)CCCCCCCCCCC 2e096f4d4beb494ba1127f775caae916 [0,2,0,0,0,0|1,0,0]=3 2679 B22R0.9363 CC#CCNC(=O)CCCC(O)CCCCCCCCCCC e1f9f9e2acb8946bac31a87050aec77f [0,2,0,0,0,0|1,0,1]=4 2680 B22R0.9363 CC=CCNC(=O)CCCC(O)CCCCCCCCCCC 7e5dbad5bfc4f67c4363711b7967947c [0,2,0,0,0,0|1,0,1]=4 2681 B22R0.9363 CCCCCCCCCCCC(=O)CCCC(=O)NCCC#N ab5b1f5881ce7228ea74b0d49a5df105 [0,2,0,0,0,0|1,0,1]=4 2682 B22R0.9363 CCCCCCCCCCCC(=O)CCCC(=O)NCCCC ce5c5533041054f521fea542a720ae31 [0,2,0,0,0,0|1,0,1]=4 2683 B22R0.9363 CCCCCCCCCCCC(=O)CCCC(=O)NCCCCl 2b850e6229eb97e023a4ed5fab8c2406 [0,2,0,0,0,0|1,0,1]=4 2684 B22R0.9363 CCCCCCCCCCCC(=O)CCCC(=O)NCCCO 0b605920a858f8706c8a62d41586654e [0,2,0,0,0,0|0,0,1]=3 2685 B22R0.9363 CCCCCCCCCCCC(=O)CCCC(=O)NCCOC 6d63947729644b45e94f77512b255df0 [0,2,0,0,0,0|0,0,1]=3 2686 B22R0.9363 CCCCCCCCCCCC(=O)CCCC(=O)NCCON 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C#CCCNC(=O)CCCCCCC(O)CCCCCCCC 5788c5c2b12df03d70485afae765c169 [0,2,0,0,0,0|1,0,0]=3 2697 B22R0.10919 C=CCCNC(=O)CCCCCCC(=O)CCCCCCCC b6be22740e602ed8278fa623732d4892 [0,2,0,0,0,0|1,0,1]=4 2698 B22R0.10919 C=CCCNC(=O)CCCCCCC(O)CCCCCCCC 79eefa3709c62a23a6c5809ddbfe0260 [0,2,0,0,0,0|1,0,0]=3 2699 B22R0.10919 CC#CCNC(=O)CCCCCCC(O)CCCCCCCC 881db6a54a94ba551cbf2f4c6a008b88 [0,2,0,0,0,0|1,0,1]=4 2700 B22R0.10919 CC=CCNC(=O)CCCCCCC(O)CCCCCCCC 6ffa67ba00f53597622a75839fe57972 [0,2,0,0,0,0|1,0,1]=4 2701 B22R0.10919 CCCCCCCCC(=O)CCCCCCC(=O)NCCC#N 6287f735eafbc4c557cb08f29cdf04ec [0,2,0,0,0,0|1,0,1]=4 2702 B22R0.10919 CCCCCCCCC(=O)CCCCCCC(=O)NCCCC 612a2607108848ecc65ab15ff29869d0 [0,2,0,0,0,0|1,0,1]=4 2703 B22R0.10919 CCCCCCCCC(=O)CCCCCCC(=O)NCCCCl b39c35389111d50c50a45e5db16c66d0 [0,2,0,0,0,0|1,0,1]=4 2704 B22R0.10919 CCCCCCCCC(=O)CCCCCCC(=O)NCCCO d4b8a05db3426f7770a84396067eb5c5 [0,2,0,0,0,0|0,0,1]=3 2705 B22R0.10919 CCCCCCCCC(=O)CCCCCCC(=O)NCCOC ec08d963443b0ff224dad1a849ecacdf [0,2,0,0,0,0|0,0,1]=3 2706 B22R0.10919 CCCCCCCCC(=O)CCCCCCC(=O)NCCON 211afdb99933dffbb0cf0dc69e1c07de [0,2,0,0,0,0|0,0,1]=3 2707 B22R0.10919 CCCCCCCCC(=O)CCCCCCC(=O)NCCSC 5cfbfadfabc38c72123ea57b97dc5996 [0,2,0,0,0,0|0,1,1]=4 2708 B22R0.10919 CCCCCCCCC(O)CCCCCCC(=O)NCCC#N fbbb3319ef2c8e7c35cc8b2dbe89e82e [0,2,0,0,0,0|1,0,0]=3 2709 B22R0.10919 CCCCCCCCC(O)CCCCCCC(=O)NCCCC 9a9670fe9f107b7d47b3f0266d6096bf [0,2,0,0,0,0|1,0,0]=3 2710 B22R0.10919 CCCCCCCCC(O)CCCCCCC(=O)NCCCCl e883cf4b72fd262cb9ec9c48a9a097ca [0,2,0,0,0,0|1,0,0]=3 2711 B22R0.10919 CCCCCCCCC(O)CCCCCCC(=O)NCCCO 0eeb5b95e240dc5901b5ba0807c028e5 [0,2,0,0,0,0|0,0,0]=2 2712 B22R0.10919 CCCCCCCCC(O)CCCCCCC(=O)NCCOC 87cd70902dc66bfd6c4c071e939dcc46 [0,2,0,0,0,0|0,0,0]=2 2713 B22R0.10919 CCCCCCCCC(O)CCCCCCC(=O)NCCON a82bd4c491a225c18651c6a92e7bd8f0 [0,2,0,0,0,0|0,0,0]=2 2714 B22R0.10919 CCCCCCCCC(O)CCCCCCC(=O)NCCSC 95931350c5a8e1a5d566799d8184b36c [0,2,0,0,0,0|0,1,0]=3 2715 B22R0.19298 C#CCCNC(=O)CCCCC(=O)CCCCCCCCCC 3599c8b9c6f8a4a8d04382fb22018eb9 [0,2,0,0,0,0|1,0,1]=4 2716 B22R0.19298 C#CCCNC(=O)CCCCC(O)CCCCCCCCCC 50fbcd135ee1bdb36b2c129866c73bf9 [0,2,0,0,0,0|1,0,0]=3 2717 B22R0.19298 C=CCCNC(=O)CCCCC(=O)CCCCCCCCCC 06f531d94b6eff0c1f2ea0aa02a9a74b [0,2,0,0,0,0|1,0,1]=4 2718 B22R0.19298 C=CCCNC(=O)CCCCC(O)CCCCCCCCCC cb7ddc63e2209802b81d3053aa10db55 [0,2,0,0,0,0|1,0,0]=3 2719 B22R0.19298 CC#CCNC(=O)CCCCC(O)CCCCCCCCCC cc02ea9d93711693de2339a6373cc8c7 [0,2,0,0,0,0|1,0,1]=4 2720 B22R0.19298 CC=CCNC(=O)CCCCC(O)CCCCCCCCCC 256fdeb24a6d91a7f5cd47feb522b5ea [0,2,0,0,0,0|1,0,1]=4 2721 B22R0.19298 CCCCCCCCCCC(=O)CCCCC(=O)NCCC#N b8df8959c7ab9942af5ef31adde67f07 [0,2,0,0,0,0|1,0,1]=4 2722 B22R0.19298 CCCCCCCCCCC(=O)CCCCC(=O)NCCCC 09ba9d023a109d33dcbc314f6c3922a2 [0,2,0,0,0,0|1,0,1]=4 2723 B22R0.19298 CCCCCCCCCCC(=O)CCCCC(=O)NCCCCl 961f12e47a3479b24a9fd4aac9bcd264 [0,2,0,0,0,0|1,0,1]=4 2724 B22R0.19298 CCCCCCCCCCC(=O)CCCCC(=O)NCCCO 9a17e870f57dc09a5d6c6197d600a0e6 [0,2,0,0,0,0|0,0,1]=3 2725 B22R0.19298 CCCCCCCCCCC(=O)CCCCC(=O)NCCOC 899936411ffcd25344d0b30ce102c8ce [0,2,0,0,0,0|0,0,1]=3 2726 B22R0.19298 CCCCCCCCCCC(=O)CCCCC(=O)NCCON e7183b22d1b6e341ba789ad4d9d8e7a1 [0,2,0,0,0,0|0,0,1]=3 2727 B22R0.19298 CCCCCCCCCCC(=O)CCCCC(=O)NCCSC a39738ba69d2ffc1efb9240e0260bef4 [0,2,0,0,0,0|0,1,1]=4 2728 B22R0.19298 CCCCCCCCCCC(O)CCCCC(=O)NCCC#N fda25e4df8e6b3a3c422bf49a7ccdeff [0,2,0,0,0,0|1,0,0]=3 2729 B22R0.19298 CCCCCCCCCCC(O)CCCCC(=O)NCCCC a8787f9d0e157a248c2c3c36a0657c0c [0,2,0,0,0,0|1,0,0]=3 2730 B22R0.19298 CCCCCCCCCCC(O)CCCCC(=O)NCCCCl a26c947b3832f80f0c4d726f29c9ab33 [0,2,0,0,0,0|1,0,0]=3 2731 B22R0.19298 CCCCCCCCCCC(O)CCCCC(=O)NCCCO 64d7a1175ff5731bfbc10d80849ef003 [0,2,0,0,0,0|0,0,0]=2 2732 B22R0.19298 CCCCCCCCCCC(O)CCCCC(=O)NCCOC 2b6930a12b0c014bc68e6a25a774093c [0,2,0,0,0,0|0,0,0]=2 2733 B22R0.19298 CCCCCCCCCCC(O)CCCCC(=O)NCCON 7c1c4ae497ed9aa6e8a297a2d93503a3 [0,2,0,0,0,0|0,0,0]=2 2734 B22R0.19298 CCCCCCCCCCC(O)CCCCC(=O)NCCSC f8114ca5bd23be2cf1b720c85a7a5bb0 [0,2,0,0,0,0|0,1,0]=3 2735 B22R0.19298 CCCCCCCCCOC(=O)CCCCC(=O)NCCCO b03a67db260bde9e18525f61041accc8 [0,2,0,0,0,0|1,0,1]=4 2736 B22R0.19298 CCCCCCCCCOC(=O)CCCCC(=O)NCCOC 7c0ec4b196919dad59a3db2fff3aaa45 [0,2,0,0,0,0|1,0,1]=4 2737 B22R0.19298 CCCCCCCCCOC(=O)CCCCC(=O)NCCON 0f21224c2f99846cc3694021f80d1e85 [0,2,0,0,0,0|1,0,1]=4 2738 B22R0.22265 C#CCCNC(=O)CCCCCCCCC(=O)CCCCCC 442384e7b0d3cdf89f83d0e54ede1fb0 [0,2,0,0,0,0|1,0,1]=4 2739 B22R0.22265 C#CCCNC(=O)CCCCCCCCC(O)CCCCCC 4e509d406d6aafb138b107461765c844 [0,2,0,0,0,0|1,0,0]=3 2740 B22R0.22265 C=CCCNC(=O)CCCCCCCCC(=O)CCCCCC 88052cde37602042e7ac475aa76c9498 [0,2,0,0,0,0|1,0,1]=4 2741 B22R0.22265 C=CCCNC(=O)CCCCCCCCC(O)CCCCCC 5351cdf2c5c2f80aa960abb1ed721058 [0,2,0,0,0,0|1,0,0]=3 2742 B22R0.22265 CC#CCNC(=O)CCCCCCCCC(O)CCCCCC 0795ce3660602808bcb6af8a7072a9be [0,2,0,0,0,0|1,0,1]=4 2743 B22R0.22265 CC=CCNC(=O)CCCCCCCCC(O)CCCCCC 75d937abfa3aae3b05d0a2f294b68fd8 [0,2,0,0,0,0|1,0,1]=4 2744 B22R0.22265 CCCCCCC(=O)CCCCCCCCC(=O)NCCC#N f87975e49d656612955547e529ef0c28 [0,2,0,0,0,0|1,0,1]=4 2745 B22R0.22265 CCCCCCC(=O)CCCCCCCCC(=O)NCCCC 2f4d05f186ded85faea07ec5ccede620 [0,2,0,0,0,0|1,0,1]=4 2746 B22R0.22265 CCCCCCC(=O)CCCCCCCCC(=O)NCCCCl cc38ccb285b9158f50fdd259c0084c2a [0,2,0,0,0,0|1,0,1]=4 2747 B22R0.22265 CCCCCCC(=O)CCCCCCCCC(=O)NCCCO a4aa382c67e2892288b78d9ef3324c5d [0,2,0,0,0,0|0,0,1]=3 2748 B22R0.22265 CCCCCCC(=O)CCCCCCCCC(=O)NCCOC 571edbafcff7a6291eed7a720126a137 [0,2,0,0,0,0|0,0,1]=3 2749 B22R0.22265 CCCCCCC(=O)CCCCCCCCC(=O)NCCON 8a8edbd2cb94bb8e0fd6d8d09a2c9d93 [0,2,0,0,0,0|0,0,1]=3 2750 B22R0.22265 CCCCCCC(=O)CCCCCCCCC(=O)NCCSC 5d2def8d3effcf8d1d6e25a47f6f340d [0,2,0,0,0,0|0,1,1]=4 2751 B22R0.22265 CCCCCCC(O)CCCCCCCCC(=O)NCCC#N 98a4a930361bc38ffa4bd1e18b794a6f [0,2,0,0,0,0|1,0,0]=3 2752 B22R0.22265 CCCCCCC(O)CCCCCCCCC(=O)NCCCC 2088a86b9dbfa34b190f477cf07aa7e1 [0,2,0,0,0,0|1,0,0]=3 2753 B22R0.22265 CCCCCCC(O)CCCCCCCCC(=O)NCCCCl f1dfad0366ac5b323f6833b8785c2e5b [0,2,0,0,0,0|1,0,0]=3 2754 B22R0.22265 CCCCCCC(O)CCCCCCCCC(=O)NCCCO 1819df1adf76a24307149480338b499d [0,2,0,0,0,0|0,0,0]=2 2755 B22R0.22265 CCCCCCC(O)CCCCCCCCC(=O)NCCOC b315a8d0cfda2bfb38b035b2fbd91f8d [0,2,0,0,0,0|0,0,0]=2 2756 B22R0.22265 CCCCCCC(O)CCCCCCCCC(=O)NCCON af3524407fe03b74f30426a53526f66f [0,2,0,0,0,0|0,0,0]=2 2757 B22R0.22265 CCCCCCC(O)CCCCCCCCC(=O)NCCSC cd2556b2b04036aa51792058ad3e95ad [0,2,0,0,0,0|0,1,0]=3 2758 B22R0.25065 C#CCCNC(=O)CCCCCCCCCC(=O)CCCCC 236d9162e40337512d9f490b22e016b8 [0,2,0,0,0,0|1,0,1]=4 2759 B22R0.25065 C#CCCNC(=O)CCCCCCCCCC(O)CCCCC 14d6849084035e129b8a382f9e81e609 [0,2,0,0,0,0|1,0,0]=3 2760 B22R0.25065 C=CCCNC(=O)CCCCCCCCCC(=O)CCCCC 1133216891b816f240f0c589f770a091 [0,2,0,0,0,0|1,0,1]=4 2761 B22R0.25065 C=CCCNC(=O)CCCCCCCCCC(O)CCCCC c54bee834af990bdc36d213cf3f9b5ae [0,2,0,0,0,0|1,0,0]=3 2762 B22R0.25065 CC#CCNC(=O)CCCCCCCCCC(O)CCCCC 143857d7768271009bdea53f51395905 [0,2,0,0,0,0|1,0,1]=4 2763 B22R0.25065 CC=CCNC(=O)CCCCCCCCCC(O)CCCCC 15189dcfcf90473053f48a15d9e27d7f [0,2,0,0,0,0|1,0,1]=4 2764 B22R0.25065 CCCCCC(=O)CCCCCCCCCC(=O)NCCC#N 128f68e138d51ee2681b0c6a1aee52c3 [0,2,0,0,0,0|1,0,1]=4 2765 B22R0.25065 CCCCCC(=O)CCCCCCCCCC(=O)NCCCC 0b30607edfc123c5048050c135be2dd0 [0,2,0,0,0,0|1,0,1]=4 2766 B22R0.25065 CCCCCC(=O)CCCCCCCCCC(=O)NCCCCl e49353afe489da28a5e6cbca8d0ab016 [0,2,0,0,0,0|1,0,1]=4 2767 B22R0.25065 CCCCCC(=O)CCCCCCCCCC(=O)NCCCO b9448eeea012abeee3a4a28fce0075c7 [0,2,0,0,0,0|0,0,1]=3 2768 B22R0.25065 CCCCCC(=O)CCCCCCCCCC(=O)NCCOC a2a5d7115fed5c1cf78105da0e9913eb [0,2,0,0,0,0|0,0,1]=3 2769 B22R0.25065 CCCCCC(=O)CCCCCCCCCC(=O)NCCON 226424f629e328128f1893e86cb6e88f [0,2,0,0,0,0|0,0,1]=3 2770 B22R0.25065 CCCCCC(=O)CCCCCCCCCC(=O)NCCSC 8ec63817d6b7ad854b21d58cef58db13 [0,2,0,0,0,0|0,1,1]=4 2771 B22R0.25065 CCCCCC(O)CCCCCCCCCC(=O)NCCC#N 6f38aa985fb02837caf09ca4cdb6006a [0,2,0,0,0,0|1,0,0]=3 2772 B22R0.25065 CCCCCC(O)CCCCCCCCCC(=O)NCCCC b3f28b7608c50759eae75258d2a04d8b [0,2,0,0,0,0|1,0,0]=3 2773 B22R0.25065 CCCCCC(O)CCCCCCCCCC(=O)NCCCCl a19753bbd02d0780ad0179658f564392 [0,2,0,0,0,0|1,0,0]=3 2774 B22R0.25065 CCCCCC(O)CCCCCCCCCC(=O)NCCCO e5c668d12ca2e087f167aa18ee51e495 [0,2,0,0,0,0|0,0,0]=2 2775 B22R0.25065 CCCCCC(O)CCCCCCCCCC(=O)NCCOC 2df21b854535fa342bef0178e58ba466 [0,2,0,0,0,0|0,0,0]=2 2776 B22R0.25065 CCCCCC(O)CCCCCCCCCC(=O)NCCON 26bf054fd855e0401183c9ba2560fc03 [0,2,0,0,0,0|0,0,0]=2 2777 B22R0.25065 CCCCCC(O)CCCCCCCCCC(=O)NCCSC f8a00e6bbfbdcc823ab63f5c053e7d6c [0,2,0,0,0,0|0,1,0]=3 2778 B22R0.25570 C#CCCNC(=O)CCCCCCCCCCCCC(=O)CC f11bf2b56d572bdac2e8c680ae679325 [0,2,0,0,0,0|1,0,1]=4 2779 B22R0.25570 C#CCCNC(=O)CCCCCCCCCCCCC(O)CC 62f2e06cec0baa61b4b0d216faa1b2bd [0,2,0,0,0,0|1,0,0]=3 2780 B22R0.25570 C=CCCNC(=O)CCCCCCCCCCCCC(=O)CC e9f3cbd3a4fc612f85e78d652ac4be98 [0,2,0,0,0,0|1,0,1]=4 2781 B22R0.25570 C=CCCNC(=O)CCCCCCCCCCCCC(O)CC b84df1c9893880615e3576908baed382 [0,2,0,0,0,0|1,0,0]=3 2782 B22R0.25570 CC#CCNC(=O)CCCCCCCCCCCCC(O)CC 46857b1a0feb42ee0a48cdbbe7cdd71c [0,2,0,0,0,0|1,0,1]=4 2783 B22R0.25570 CC=CCNC(=O)CCCCCCCCCCCCC(O)CC 84c3d9df3ebe106d25ef8a881aba5b60 [0,2,0,0,0,0|1,0,1]=4 2784 B22R0.25570 CCC(=O)CCCCCCCCCCCCC(=O)NCCC#N 00630c1d4b264e7c710ce6c2b4d313ce [0,2,0,0,0,0|1,0,1]=4 2785 B22R0.25570 CCC(=O)CCCCCCCCCCCCC(=O)NCCCCl a866ecdabec4a9934792ffc5b337f2d2 [0,2,0,0,0,0|1,0,1]=4 2786 B22R0.25570 CCC(=O)CCCCCCCCCCCCC(=O)NCCCO d1234cdbcef572ca027f05494750f1b8 [0,2,0,0,0,0|0,0,1]=3 2787 B22R0.25570 CCC(=O)CCCCCCCCCCCCC(=O)NCCOC 38c9ea39ae0bd1081fd525c9e56d496d [0,2,0,0,0,0|0,0,1]=3 2788 B22R0.25570 CCC(=O)CCCCCCCCCCCCC(=O)NCCON fd4ca50994a8a9abd523ea332ec61bd3 [0,2,0,0,0,0|0,0,1]=3 2789 B22R0.25570 CCC(=O)CCCCCCCCCCCCC(=O)NCCSC 020464adf48fd2cf57287725735e6d7b [0,2,0,0,0,0|0,1,1]=4 2790 B22R0.25570 CCC(O)CCCCCCCCCCCCC(=O)NCCC#N 26cd8f8deb0c6249da09989b03ff5769 [0,2,0,0,0,0|1,0,0]=3 2791 B22R0.25570 CCC(O)CCCCCCCCCCCCC(=O)NCCCCl 8edaa161f5e71613f704bc480b84f57f [0,2,0,0,0,0|1,0,0]=3 2792 B22R0.25570 CCC(O)CCCCCCCCCCCCC(=O)NCCCO a0ff6228bb9b6557258de0ea8eec0767 [0,2,0,0,0,0|0,0,0]=2 2793 B22R0.25570 CCC(O)CCCCCCCCCCCCC(=O)NCCOC cd476474121853f04f515c6b8a15f0d6 [0,2,0,0,0,0|0,0,0]=2 2794 B22R0.25570 CCC(O)CCCCCCCCCCCCC(=O)NCCON f5e548cb7f77e0c52512e59bc9c63a42 [0,2,0,0,0,0|0,0,0]=2 2795 B22R0.25570 CCC(O)CCCCCCCCCCCCC(=O)NCCSC 3a3dba0b12c411c53b6c5f8280e0d7d3 [0,2,0,0,0,0|0,1,0]=3 2796 B22R0.25570 CCCCNC(=O)CCCCCCCCCCCCC(=O)CC 1ec3522532d40d309e245077fb542361 [0,2,0,0,0,0|1,0,1]=4 2797 B22R0.25570 CCCCNC(=O)CCCCCCCCCCCCC(O)CC 0e26ee5892d90469f7c4ba1611a8db4b [0,2,0,0,0,0|1,0,0]=3 2798 B22R0.25570 COC(=O)CCCCCCCCCCCCC(=O)NCCCO 0490be8deafd345cb570f1cd936af2ad [0,2,0,0,0,0|1,0,1]=4 2799 B22R0.25570 COC(=O)CCCCCCCCCCCCC(=O)NCCON 8d0b21974e841a7730c10df6b7264f92 [0,2,0,0,0,0|1,0,1]=4 2800 B22R0.25570 COCCNC(=O)CCCCCCCCCCCCC(=O)OC 68ab146fdd7b2bbf889d71575902b347 [0,2,0,0,0,0|1,0,1]=4 2801 B22R0.25844 C#CCCNC(=O)CCCCCCCCCCCCCC(=O)C 661d5e1e095c7189658f0a7b2e81ae1c [0,2,0,0,0,0|1,0,1]=4 2802 B22R0.25844 C#CCCNC(=O)CCCCCCCCCCCCCC(C)C 41aa67d7a1a2bc73b016774c085b52cc [0,2,0,0,0,0|1,0,0]=3 2803 B22R0.25844 C#CCCNC(=O)CCCCCCCCCCCCCC(C)O 92d530af35402cdc04050877458c6061 [0,2,0,0,0,0|1,0,0]=3 2804 B22R0.25844 C=CCCNC(=O)CCCCCCCCCCCCCC(=O)C 74bfc4b5c67af948c547955774a768e9 [0,2,0,0,0,0|1,0,1]=4 2805 B22R0.25844 C=CCCNC(=O)CCCCCCCCCCCCCC(C)O a3e18aadf4ba182798c2c993235a219f [0,2,0,0,0,0|1,0,0]=3 2806 B22R0.25844 CC#CCNC(=O)CCCCCCCCCCCCCC(C)C 64a0ded3c99bbbf5ebc7ee73bb1b5f72 [0,2,0,0,0,0|1,0,1]=4 2807 B22R0.25844 CC#CCNC(=O)CCCCCCCCCCCCCC(C)O c5e5877ec8108561cc78b98e622936e9 [0,2,0,0,0,0|1,0,1]=4 2808 B22R0.25844 CC(=O)CCCCCCCCCCCCCC(=O)NCCC#N d3f703b04a00be48540952fa9a9405c2 [0,2,0,0,0,0|1,0,1]=4 2809 B22R0.25844 CC(=O)CCCCCCCCCCCCCC(=O)NCCCCl 968657f9cb0a63f5bf04de9c65f479a1 [0,2,0,0,0,0|1,0,1]=4 2810 B22R0.25844 CC(=O)CCCCCCCCCCCCCC(=O)NCCCO e3d672b51b5daae86bae54a42f7fcfcd [0,2,0,0,0,0|0,0,1]=3 2811 B22R0.25844 CC(=O)CCCCCCCCCCCCCC(=O)NCCON b16e144b78176b4c81d8ec469168436d [0,2,0,0,0,0|0,0,1]=3 2812 B22R0.25844 CC(C)CCCCCCCCCCCCCC(=O)NCCC#N 83ed7cbacc347c71c0f8286571bde85c [0,2,0,0,0,0|1,0,0]=3 2813 B22R0.25844 CC(C)CCCCCCCCCCCCCC(=O)NCCCO 18288b407816ef2fc8a38994b25db3ac [0,2,0,0,0,0|0,0,0]=2 2814 B22R0.25844 CC(C)CCCCCCCCCCCCCC(=O)NCCON 682d7150500720fe2f504b1aabd81f19 [0,2,0,0,0,0|0,0,0]=2 2815 B22R0.25844 CC(O)CCCCCCCCCCCCCC(=O)NCCC#N dfe0620f89eece37bbe1fb2f41d84c16 [0,2,0,0,0,0|1,0,0]=3 2816 B22R0.25844 CC(O)CCCCCCCCCCCCCC(=O)NCCCCl dbb355fe83c55b7015931188d0163fd9 [0,2,0,0,0,0|1,0,0]=3 2817 B22R0.25844 CC(O)CCCCCCCCCCCCCC(=O)NCCCO d5d796bff2e5a98348c0bb795bfe01f6 [0,2,0,0,0,0|0,0,0]=2 2818 B22R0.25844 CC(O)CCCCCCCCCCCCCC(=O)NCCON afa41badac8babd5807c6cc4621cb613 [0,2,0,0,0,0|0,0,0]=2 2819 B22R0.25844 CC=CCNC(=O)CCCCCCCCCCCCCC(C)O c11d1cdc802aba3010374495d80697b6 [0,2,0,0,0,0|1,0,1]=4 2820 B22R0.25844 CCCCNC(=O)CCCCCCCCCCCCCC(=O)C 512a9ada6e3f7ed7766fee3505bfd5e5 [0,2,0,0,0,0|1,0,1]=4 2821 B22R0.25844 CCCCNC(=O)CCCCCCCCCCCCCC(C)O 95e66a223c1f73e6f3b1baa120aa5a5c [0,2,0,0,0,0|1,0,0]=3 2822 B22R0.25844 COCCNC(=O)CCCCCCCCCCCCCC(=O)C 913d68307154a190604dbef8b5af4660 [0,2,0,0,0,0|0,0,1]=3 2823 B22R0.25844 COCCNC(=O)CCCCCCCCCCCCCC(C)C b0db658ce810b2c07d75037e7b65385b [0,2,0,0,0,0|0,0,0]=2 2824 B22R0.25844 COCCNC(=O)CCCCCCCCCCCCCC(C)O e693a78775622ded5094eb430fc6fd38 [0,2,0,0,0,0|0,0,0]=2 2825 B22R0.25844 CSCCNC(=O)CCCCCCCCCCCCCC(=O)C e4b409774eb84b5ce1981db02c15ca26 [0,2,0,0,0,0|0,1,1]=4 2826 B22R0.25844 CSCCNC(=O)CCCCCCCCCCCCCC(C)O 729f5cc295f5a15ccb1576e95b3a56e4 [0,2,0,0,0,0|0,1,0]=3 2827 B22R0.26867 C#CCCNC(=O)C(F)CCCCCCCCCCCCCC efee1d608eb8aeb433191c3cca8c4753 [0,2,0,0,0,0|1,0,0]=3 2828 B22R0.26867 C#CCCNC(=O)C(O)CCCCCCCCCCCCCC 1e0a7901f445c5ce2b97653eeeb10ac5 [0,2,0,0,0,0|1,0,0]=3 2829 B22R0.26867 C#CCCNC(=O)N(C)CCCCCCCCCCCCCC e4455d96e27d73051b6c7a532746dfce [0,2,0,0,0,0|2,0,0]=4 2830 B22R0.26867 C#CCCNC(=O)[C@@H](O)CCCCCCCCCCCCCC a310084aca5603ddc5dd5d27f7b6b70c [0,2,0,0,0,0|1,0,0]=3 2831 B22R0.26867 C=CCCNC(=O)C(O)CCCCCCCCCCCCCC 7c414b642fdfc2c08a7881a16aaf16f3 [0,2,0,0,0,0|1,0,0]=3 2832 B22R0.26867 C=CCCNC(=O)N(C)CCCCCCCCCCCCCC 4ebfc5337217aae2c24151c4faffab8f [0,2,0,0,0,0|2,0,0]=4 2833 B22R0.26867 C=CCCNC(=O)[C@@H](O)CCCCCCCCCCCCCC e800de6833a3eb4f0294866137a81399 [0,2,0,0,0,0|1,0,0]=3 2834 B22R0.26867 CC#CCNC(=O)C(F)CCCCCCCCCCCCCC 0fb533d50d9ba4dcc0197ed4b5c2dbe0 [0,2,0,0,0,0|1,0,1]=4 2835 B22R0.26867 CC#CCNC(=O)C(O)CCCCCCCCCCCCCC 2320f06b68ccdfd8f092a651a7224d20 [0,2,0,0,0,0|1,0,1]=4 2836 B22R0.26867 CC#CCNC(=O)[C@@H](O)CCCCCCCCCCCCCC 504715225488037f7dfb6e1cce647e7b [0,2,0,0,0,0|1,0,1]=4 2837 B22R0.26867 CC=CCNC(=O)C(O)CCCCCCCCCCCCCC 8ded98485c8af452f139309260da65a4 [0,2,0,0,0,0|1,0,1]=4 2838 B22R0.26867 CC=CCNC(=O)[C@@H](O)CCCCCCCCCCCCCC 6073beff5a7b78831667e8b0867e61d3 [0,2,0,0,0,0|1,0,1]=4 2839 B22R0.26867 CCCCCCCCCCCCCCC(F)C(=O)NCCC#N 735da53b9d82a4ba53b0fea0b5441b1c [0,2,0,0,0,0|1,0,0]=3 2840 B22R0.26867 CCCCCCCCCCCCCCC(F)C(=O)NCCCO f64431c17efc37925f2ad7db558b6570 [0,2,0,0,0,0|0,0,0]=2 2841 B22R0.26867 CCCCCCCCCCCCCCC(F)C(=O)NCCOC 30d2c7416a33f93bad66be78afb471b4 [0,2,0,0,0,0|0,0,0]=2 2842 B22R0.26867 CCCCCCCCCCCCCCC(F)C(=O)NCCON 0725a553402b2ebf86ebb495e475df53 [0,2,0,0,0,0|0,0,0]=2 2843 B22R0.26867 CCCCCCCCCCCCCCC(F)C(=O)NCCSC 72e6017e7d07f2cc5193e5b3a3dcb457 [0,2,0,0,0,0|0,1,0]=3 2844 B22R0.26867 CCCCCCCCCCCCCCC(O)C(=O)NCCC#N 21958ed38c83ae7e73cfe4e96b091878 [0,2,0,0,0,0|1,0,0]=3 2845 B22R0.26867 CCCCCCCCCCCCCCC(O)C(=O)NCCCC d78a806e50aa84c1a56eeceace2f8632 [0,2,0,0,0,0|1,0,0]=3 2846 B22R0.26867 CCCCCCCCCCCCCCC(O)C(=O)NCCCCl dd7964be934c4e35e6abc2cd971d6603 [0,2,0,0,0,0|1,0,0]=3 2847 B22R0.26867 CCCCCCCCCCCCCCC(O)C(=O)NCCCO 971b5c1e909a3172240af475d7c8ced1 [0,2,0,0,0,0|0,0,0]=2 2848 B22R0.26867 CCCCCCCCCCCCCCC(O)C(=O)NCCOC 9702c9b8f0543c2d91a23cc2b6fe2d17 [0,2,0,0,0,0|0,0,0]=2 2849 B22R0.26867 CCCCCCCCCCCCCCC(O)C(=O)NCCON d534898d81c0842f07ac097158d83225 [0,2,0,0,0,0|0,0,0]=2 2850 B22R0.26867 CCCCCCCCCCCCCCC(O)C(=O)NCCSC b6bc9f3928f8c23c810c87dc1b3df151 [0,2,0,0,0,0|0,1,0]=3 2851 B22R0.26867 CCCCCCCCCCCCCCN(C)C(=O)C#CCCO c8cbdba9bbcd3c58fd46782dff99a6cf [0,2,0,0,0,0|2,0,0]=4 2852 B22R0.26867 CCCCCCCCCCCCCCN(C)C(=O)CCCCO 003bd0099b2c9a50c8835c07d711f77c [0,2,0,0,0,0|2,0,0]=4 2853 B22R0.26867 CCCCCCCCCCCCCCN(C)C(=O)CCCOC bd215687e0f85b7ed2c0cf5749f8b2b1 [0,2,0,0,0,0|2,0,0]=4 2854 B22R0.26867 CCCCCCCCCCCCCCN(C)C(=O)COCCO 0d06dc2e4fc1995c1771dbeb560385c1 [0,2,0,0,0,0|2,0,0]=4 2855 B22R0.26867 CCCCCCCCCCCCCCN(C)C(=O)NCCC#N cecb578f51d8b519292606c6b36bc8fe [0,2,0,0,0,0|2,0,0]=4 2856 B22R0.26867 CCCCCCCCCCCCCCN(C)C(=O)NCCCN e6dcd3d60423ba4ac04d5bf8706174c5 [0,2,0,0,0,0|2,0,0]=4 2857 B22R0.26867 CCCCCCCCCCCCCCN(C)C(=O)NCCCO 4b0593c3f841ef3093f544648b58e1d9 [0,2,0,0,0,0|1,0,0]=3 2858 B22R0.26867 CCCCCCCCCCCCCCN(C)C(=O)NCCOC 5823065460b5736e00c013a515b6777a [0,2,0,0,0,0|1,0,0]=3 2859 B22R0.26867 CCCCCCCCCCCCCCN(C)C(=O)NCCON f0592e5e584887713c3e0edf635a2e19 [0,2,0,0,0,0|1,0,0]=3 2860 B22R0.26867 CCCCCCCCCCCCCCN(C)C(=O)NCCSC bdbfbfc8dbf747a697c59fca62ba84c5 [0,2,0,0,0,0|1,1,0]=4 2861 B22R0.26867 CCCCCCCCCCCCCCN(C)C(=S)NCCCO ff548603302bb1d4351dcc270a3b5737 [0,2,0,0,0,0|1,1,0]=4 2862 B22R0.26867 CCCCCCCCCCCCCCN(C)C(=S)NCCOC ab0a8a1614d778b16f3e424020f7742b [0,2,0,0,0,0|1,1,0]=4 2863 B22R0.26867 CCCCCCCCCCCCCCN(C)C(=S)NCCON 6d65751cc90bb113bc688ec201933dde [0,2,0,0,0,0|1,1,0]=4 2864 B22R0.26867 CCCCCCCCCCCCCC[C@H](O)C(=O)NCCC#N ca1ebdf862c6861c64dd2edbea2731fd [0,2,0,0,0,0|1,0,0]=3 2865 B22R0.26867 CCCCCCCCCCCCCC[C@H](O)C(=O)NCCCC bff26e66da82a184364dd732733561c5 [0,2,0,0,0,0|1,0,0]=3 2866 B22R0.26867 CCCCCCCCCCCCCC[C@H](O)C(=O)NCCCCl 12087478ef7182df497a30fd569e8be8 [0,2,0,0,0,0|1,0,0]=3 2867 B22R0.26867 CCCCCCCCCCCCCC[C@H](O)C(=O)NCCCO ff2b6aed63e4f9bab5e339a647aa7bd3 [0,2,0,0,0,0|0,0,0]=2 2868 B22R0.26867 CCCCCCCCCCCCCC[C@H](O)C(=O)NCCOC e1cb2ffd855002b0fd254a08c7200acc [0,2,0,0,0,0|0,0,0]=2 2869 B22R0.26867 CCCCCCCCCCCCCC[C@H](O)C(=O)NCCON 543a8692b9ab534d19247c58b636ab0c [0,2,0,0,0,0|0,0,0]=2 2870 B22R0.26867 CCCCCCCCCCCCCC[C@H](O)C(=O)NCCSC 9d4b47880e90f984bcdd4095815c4a4e [0,2,0,0,0,0|0,1,0]=3 2871 B22R0.26867 CCCCCCCCCCCCCNC(C)C(=O)NCCCC dc933b3735c75fb4c80f7961ca035e49 [0,2,0,0,0,0|2,0,0]=4 2872 B22R0.26867 CCCCCCCCCCCCCNC(C)C(=O)NCCOC f470b06a1f24b9d4e01f0736ca0c0859 [0,2,0,0,0,0|1,0,0]=3 2873 B22R0.26867 CCCCCCCCCCCCCOC(C)C(=O)NCCCC 8552f104e0f691a1652dad48a8281525 [0,2,0,0,0,0|2,0,0]=4 2874 B22R0.26867 CCCCCCCCCCCCCOC(C)C(=O)NCCOC 790e5c49c48dd6688b5609b1c32ae8be [0,2,0,0,0,0|1,0,0]=3 2875 B22R0.26867 CCCCCCCCCCCCCOC(C)C(=O)OCCOC 09f17efb3bf677fb0e8aaea352a4af50 [0,2,0,0,0,0|2,0,0]=4 2876 B22R0.26867 CCCCCCCCCCOCCOC(C)C(=O)NCCOC 529efb862cae67044bbbf88f5ae9bf0e [0,2,0,0,0,0|2,0,0]=4 2877 B22R0.26867 CCCCCCCCCCSCCOC(C)C(=O)NCCOC 730cc3fc1b8c87ae62bed29138d67d5f [0,2,0,0,0,0|2,0,0]=4 2878 B22R0.26867 CNCCCCCCCCCCCCN(C)C(=O)NCCCO fdb23465b0cd3a3fff3d0fbb74a36e9c [0,2,0,0,0,0|2,0,0]=4 2879 B22R0.26867 CNCCCCCCCCCCCCN(C)C(=O)NCCOC b0769c62413e762204be698688a9113c [0,2,0,0,0,0|2,0,0]=4 2880 B22R0.26867 CNCCCCCCCCCCCCN(C)C(=O)NCCON 5c76a8452d471343a5c83e3e6eaf0e02 [0,2,0,0,0,0|2,0,0]=4 2881 B22R0.26867 COCCNC(=O)C(C)NCCCCCCCCCCCCO 64b52ae853b84d111ac365c31a550c74 [0,2,0,0,0,0|2,0,0]=4 2882 B22R0.26911 C#CCCNC(=O)CCC(=O)CCCCCCCCCCCC ca171dce57526f04a8fffa5e0bb90e96 [0,2,0,0,0,0|1,0,1]=4 2883 B22R0.26911 C#CCCNC(=O)CCC(O)CCCCCCCCCCCC e4affc263538b141b9f68b3d577ef461 [0,2,0,0,0,0|1,0,0]=3 2884 B22R0.26911 C=CCCNC(=O)CCC(=O)CCCCCCCCCCCC b841ca0b32862824597e5f108cf2f763 [0,2,0,0,0,0|1,0,1]=4 2885 B22R0.26911 C=CCCNC(=O)CCC(O)CCCCCCCCCCCC e0d61055415249d451e1d936ffc18494 [0,2,0,0,0,0|1,0,0]=3 2886 B22R0.26911 CC#CCNC(=O)CCC(O)CCCCCCCCCCCC f7b20800fa51ff27b0578208abfa750b [0,2,0,0,0,0|1,0,1]=4 2887 B22R0.26911 CC=CCNC(=O)CCC(O)CCCCCCCCCCCC 1c3e3d4203526bd3ac6c52c4b93331a8 [0,2,0,0,0,0|1,0,1]=4 2888 B22R0.26911 CCCCCCCCCCCCC(=O)CCC(=O)NCCC#N 748eba5f583761a58a50d93cdc24f80d [0,2,0,0,0,0|1,0,1]=4 2889 B22R0.26911 CCCCCCCCCCCCC(=O)CCC(=O)NCCCC 7d8907d6cb7d19441cd180991b82aef2 [0,2,0,0,0,0|1,0,1]=4 2890 B22R0.26911 CCCCCCCCCCCCC(=O)CCC(=O)NCCCCl 1a7f11301c6e6832c1e48aa00c4a5105 [0,2,0,0,0,0|1,0,1]=4 2891 B22R0.26911 CCCCCCCCCCCCC(=O)CCC(=O)NCCCO 28a22c332c9e5d515803c9978b094570 [0,2,0,0,0,0|0,0,1]=3 2892 B22R0.26911 CCCCCCCCCCCCC(=O)CCC(=O)NCCOC e0ee3950e38d9121c6016295d4f94078 [0,2,0,0,0,0|0,0,1]=3 2893 B22R0.26911 CCCCCCCCCCCCC(=O)CCC(=O)NCCON ef9a39a78035a30a5b62745a12da6871 [0,2,0,0,0,0|0,0,1]=3 2894 B22R0.26911 CCCCCCCCCCCCC(=O)CCC(=O)NCCSC 8a2f3a0e165fb07e83d21a19116e4591 [0,2,0,0,0,0|0,1,1]=4 2895 B22R0.26911 CCCCCCCCCCCCC(C)NCC(=O)NCCCC ca7ccbc3085c90a9f7e16398fefc5d0d [0,2,0,0,0,0|2,0,0]=4 2896 B22R0.26911 CCCCCCCCCCCCC(C)OCC(=O)NCCC#N 7ce290fae2770782e7636e50da401e2a [0,2,0,0,0,0|2,0,0]=4 2897 B22R0.26911 CCCCCCCCCCCCC(C)OCC(=O)NCCCC b7412afd14d7d57a69f277d43989c118 [0,2,0,0,0,0|2,0,0]=4 2898 B22R0.26911 CCCCCCCCCCCCC(C)OCC(=O)NCCOC c2f5b3d6603e75507e370777336e2ca6 [0,2,0,0,0,0|1,0,0]=3 2899 B22R0.26911 CCCCCCCCCCCCC(C)OCC(=O)OCCOC f860006e6f48cf23096bac0f90076872 [0,2,0,0,0,0|2,0,0]=4 2900 B22R0.26911 CCCCCCCCCCCCC(O)CCC(=O)NCCC#N c0ebf7b972c4d12b0d4b51e895a1cd90 [0,2,0,0,0,0|1,0,0]=3 2901 B22R0.26911 CCCCCCCCCCCCC(O)CCC(=O)NCCCC f2a4832e430482c73d933cdfcd749c1d [0,2,0,0,0,0|1,0,0]=3 2902 B22R0.26911 CCCCCCCCCCCCC(O)CCC(=O)NCCCCl e846b97f46c899604a0c4ec353d97b24 [0,2,0,0,0,0|1,0,0]=3 2903 B22R0.26911 CCCCCCCCCCCCC(O)CCC(=O)NCCCO 6b85e94c1a9011aae6b264e7dc690935 [0,2,0,0,0,0|0,0,0]=2 2904 B22R0.26911 CCCCCCCCCCCCC(O)CCC(=O)NCCOC 90e9ac925969e626a7bb1cc2f9532e6a [0,2,0,0,0,0|0,0,0]=2 2905 B22R0.26911 CCCCCCCCCCCCC(O)CCC(=O)NCCON 8306c98b26687d288e071c62b3a3846b [0,2,0,0,0,0|0,0,0]=2 2906 B22R0.26911 CCCCCCCCCCCCC(O)CCC(=O)NCCSC 908587d26ad9ebd41d053c0f62f49f0d [0,2,0,0,0,0|0,1,0]=3 2907 B22R0.27024 CCCCCCCCCCCNCCCS(=O)(=O)NCCOC 13710bf3cca073c3a06f85c4e6b5603a [0,2,0,0,0,0|2,0,0]=4 2908 B22R0.27187 C#CCCCCCCCCCCCCCC(=O)NCC#CCO aae37ad567a90cf85f595286e59a6648 [0,2,0,0,0,0|0,0,2]=4 2909 B22R0.27187 C#CCCCCCCCCCCCCCC(=O)NCCCCO efd33337b78d3197847a7c238ca6e8ed [0,2,0,0,0,0|0,0,2]=4 2910 B22R0.27187 C#CCCCCCCCCCCCCCC(=O)NCCCOC ad546499a34e90d34330670b40204788 [0,2,0,0,0,0|0,0,2]=4 2911 B22R0.27187 C#CCCCCCCCCCCCCCC(=O)NCCOC=C 6181320cae4320df39069b7a0fdc9f2c [0,2,0,0,0,0|0,0,2]=4 2912 B22R0.27187 C#CCCCCCCCCCCCCCC(=O)NCCOCC 12b7e5289d2be98cdc453adb2a69a6fe [0,2,0,0,0,0|0,0,2]=4 2913 B22R0.27187 C#CCCCNC(=O)CCCCCCCCCCCCCCC b89b08df0ca164f63d70353ede343f48 [0,2,0,0,0,0|1,0,0]=3 2914 B22R0.27187 C#CCCCNC(=O)CCCCCCCCCCCCCCO d1d03d14acfec8bd6bcf72f69179ab16 [0,2,0,0,0,0|2,0,0]=4 2915 B22R0.27187 C#CCCCNC(=O)CCSCCCCCCCCCCCC 48e1208ec76a358eac13652b1cacde30 [0,2,0,0,0,0|2,0,0]=4 2916 B22R0.27187 C#CCCCNC(=O)NCCCCCCCCCCCCCC ec1f1213af87648448d24f7b2da7b1aa [0,2,0,0,0,0|2,0,0]=4 2917 B22R0.27187 C#CCOCOC(=O)CCCCCCCCCCCCCCC 153df38bef7f82da0ed8c6ab7ac1a425 [0,2,0,0,0,0|2,0,0]=4 2918 B22R0.27187 C=CCCCCCCCCCCCCCC(=O)NCC#CCO 3d21c39463513c3a351d9e709cf2daca [0,2,0,0,0,0|0,0,2]=4 2919 B22R0.27187 C=CCCCCCCCCCCCCCC(=O)NCCCCO 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C=COCCNC(=O)CCCCCCC/C=C\CCCCCC adf47a8121c49650364578faac3cf6dd [0,2,0,0,0,0|0,0,2]=4 2930 B22R0.27187 C=COCCNC(=O)CCCCCCCC=CCCCCCC 50a4eed89f44897bc3c45c664b401fa8 [0,2,0,0,0,0|0,0,2]=4 2931 B22R0.27187 C=COCCNC(=O)CCCCCCCCCCCCCC=O ab46ebecc41844f183bf5882e552c496 [0,2,0,0,0,0|1,0,1]=4 2932 B22R0.27187 C=COCCNC(=O)CCCCCCCCCCCCCCC 22bcfd8e3d9ddf853915d6302cf6a291 [0,2,0,0,0,0|0,0,0]=2 2933 B22R0.27187 C=COCCNC(=O)CCCCCCCCCCCCCCO 53bae73d775ec0e09d57fd3721424c3e [0,2,0,0,0,0|1,0,0]=3 2934 B22R0.27187 C=COCCNC(=O)CCSCCCCCCCCCCCC e47170444f2ac9b0ce27d31708fbd9ab [0,2,0,0,0,0|1,0,0]=3 2935 B22R0.27187 C=COCCNC(=O)NCCCCCCCCCCCCCC 6a6c6d8c0953785567b4b4ad0ec62d90 [0,2,0,0,0,0|1,0,0]=3 2936 B22R0.27187 C=COCCNC(=O)NCCCCCCCCCCCCCO 57d5d02433a5c87913df833f1f1499e1 [0,2,0,0,0,0|2,0,0]=4 2937 B22R0.27187 C=COCCNC(=S)NCCCCCCCCCCCCCC ea17038f298a1fc5ae299d9fa735d015 [0,2,0,0,0,0|1,1,0]=4 2938 B22R0.27187 CCCCCC/C=C/CCCCCCCC(=O)NCC#CCO 3dfb6543b985858668ab0cd1f86e6d2e [0,2,0,0,0,0|0,0,2]=4 2939 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CSCCCNC(=O)CCCCCCCCCCCCCCO c0ec4b270641b72fd8a1ab8ac12483b7 [0,2,0,0,0,0|1,1,0]=4 3019 B22R0.27187 N#CCCCNC(=O)CCCCCCCCCCCCCCO 71ced076808e24a9d534be0176816ea7 [0,2,0,0,0,0|2,0,0]=4 3020 B22R0.27187 O=C(CCCCCCCCCCCCCCO)NCC#CCO a8811b6bd4241248429d96d033054f7a [0,2,0,0,0,0|1,0,0]=3 3021 B22R0.27187 O=C(CCCCCCCCCCCCCCO)NCCCCCl aac0982ae75304bbd20cd8bf69902dc0 [0,2,0,0,0,0|2,0,0]=4 3022 B22R0.27187 O=C(CCCCCCCCCCCCCCO)NCCCCO 2dd8ca5eca4bd8a5c62adb885c0c07cb [0,2,0,0,0,0|1,0,0]=3 3023 B22R0.27187 O=C(CCCCCCCCCCCCCCO)NCCCCS 737698dea38217fc82abb5e9ef7d07e2 [0,2,0,0,0,0|1,1,0]=4 3024 B22R0.27187 O=C(NCC#CCO)NCCCCCCCCCCCCCO 081e90435d87b08f87cbf8cf030747a1 [0,2,0,0,0,0|2,0,0]=4 3025 B22R0.27187 O=C(NCCCCO)NCCCCCCCCCCCCCO f38d1fb91a1b310db4853e52cae3a0d5 [0,2,0,0,0,0|2,0,0]=4 3026 B22R0.27187 O=CCCCCCCCCCCCCCC(=O)NCC#CCO 174fd7ab11952abec3119ff903490f57 [0,2,0,0,0,0|1,0,1]=4 3027 B22R0.27187 O=CCCCCCCCCCCCCCC(=O)NCCCCO 29370c53618cca9ca0e65de574072d85 [0,2,0,0,0,0|1,0,1]=4 3028 B22R0.27190 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[0,2,0,0,0,0|1,0,0]=3 3208 B22R0.27190 CCCCCCCCCCCCSCCC(=O)NC[C@H](C)CO 7196cfd4a4ba166c3dd1dbed9800fa33 [0,2,0,0,0,0|1,0,0]=3 3209 B22R0.27190 CCCCCCCCCCCCSCCC(=O)NC[C@H](C)OC 16314d7a131b63014b416781054fb80c [0,2,0,0,0,0|1,0,0]=3 3210 B22R0.27190 CCCCCCCCCCCCSCCC(=O)NC[C@H](F)CO 99fba18ab0012e855d2d295f64f9a8d0 [0,2,0,0,0,0|1,0,0]=3 3211 B22R0.27190 CCCCCCCCCCCCSCCC(=O)NC[C@H](O)CC 0d491b575e82080a86624798599fba66 [0,2,0,0,0,0|1,0,0]=3 3212 B22R0.27190 CCCCCCCCCCCCSCCC(=O)NC[C@H](O)CO eee90c4c8a79a958f3a3d2456d4f4147 [0,2,0,0,0,0|1,0,0]=3 3213 B22R0.27190 CCCCCCCCCCOCCOCC(=O)NCC(O)CO c7da3f3b7b2b5dea37f80b07ecbc9d41 [0,2,0,0,0,0|2,0,0]=4 3214 B22R0.27190 CCCCCCCCCCSCCOCC(=O)NCC(O)CO cebf96bb753206c02e00344c35ac1fcc [0,2,0,0,0,0|2,0,0]=4 3215 B22R0.27190 CC[C@@H](O)CNC(=O)CCCCCCCCCCCCCC=O 3ceb83bd7f8302ccff2b2a99460c97cc [0,2,0,0,0,0|1,0,1]=4 3216 B22R0.27190 CC[C@@H](O)CNC(=O)CCCCCCCCCCCCCCO 8e3efb34d56c8cb10ad0fa67000a5d0c [0,2,0,0,0,0|1,0,0]=3 3217 B22R0.27190 CC[C@@H](O)CNC(=O)NCCCCCCCCCCCCCO ad967935b91a0bfc6e7f8a872a7aad56 [0,2,0,0,0,0|2,0,0]=4 3218 B22R0.27190 CC[C@H](C)CNC(=O)CCCCCCCCCCCCCCO ea2d82b35f1ee8dc8e3eaab79986c4f2 [0,2,0,0,0,0|2,0,0]=4 3219 B22R0.27190 COC(=O)CNC(=O)CCCCCCCCCCCCCCO ddf8e2e82f113daaa0d7b84263deb087 [0,2,0,0,0,0|1,0,1]=4 3220 B22R0.27190 CO[C@@H](C)CNC(=O)CCCCCCCCCCCCCC=O ca4a840b22d5fd1c249174f535133f13 [0,2,0,0,0,0|1,0,1]=4 3221 B22R0.27190 CO[C@@H](C)CNC(=O)CCCCCCCCCCCCCCO 1dfd4db66103020a1c13d4acffed15e7 [0,2,0,0,0,0|1,0,0]=3 3222 B22R0.27190 CO[C@@H](C)CNC(=O)NCCCCCCCCCCCCCO ee1230627766945d83fd156383048312 [0,2,0,0,0,0|2,0,0]=4 3223 B22R0.27190 CO[C@H](C)CNC(=O)CCCCCCCCCCCCCC=O b23a9f4c2614c8890825384ed5b72e17 [0,2,0,0,0,0|1,0,1]=4 3224 B22R0.27190 CO[C@H](C)CNC(=O)CCCCCCCCCCCCCCO f4c15537cd3dbf5672b8adfa2dcb1797 [0,2,0,0,0,0|1,0,0]=3 3225 B22R0.27190 CO[C@H](C)CNC(=O)NCCCCCCCCCCCCCO 72ea325f2ca4d7bcdda060a837bc8c89 [0,2,0,0,0,0|2,0,0]=4 3226 B22R0.27190 C[C@H](CO)CNC(=O)CCCCCCCCCCCCCC=O 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B22R0.27190 O=C(CCCCCCCCCCCCCCO)NC[C@H](O)CO 67fb6d326a69bf15f16a41352a29f565 [0,2,0,0,0,0|1,0,0]=3 3237 B22R0.27190 O=C(CNC(=O)CCCCCCCCCCCCCCO)NO 007b382951ed7de46ae211a99e86096f [0,2,0,0,0,0|1,0,1]=4 3238 B22R0.27190 O=C(CNCCCCCCCCCCCCO)NCC(O)CO d670c6c8edaf636e4f615c40ca725638 [0,2,0,0,0,0|2,0,0]=4 3239 B22R0.27190 O=C(NCCCCCCCCCCCCCO)NCC(F)CO 28f22c41c66fba6a30ec82e4313b3950 [0,2,0,0,0,0|2,0,0]=4 3240 B22R0.27190 O=C(NCCCCCCCCCCCCCO)NCC(O)CO ea4ea4795de269cc9673e119668ea5e1 [0,2,0,0,0,0|2,0,0]=4 3241 B22R0.27190 O=C(NCCCCCCCCCCCCCO)NC[C@@H](F)CO 0820032786f1d34627cb53ced5b500fb [0,2,0,0,0,0|2,0,0]=4 3242 B22R0.27190 O=C(NCCCCCCCCCCCCCO)NC[C@@H](O)CO 341cafdf3fda9ed6a887bed083b520b7 [0,2,0,0,0,0|2,0,0]=4 3243 B22R0.27190 O=C(NCCCCCCCCCCCCCO)NC[C@H](F)CO 1fff1e1cd0d64ebe2f2ee39a55322a25 [0,2,0,0,0,0|2,0,0]=4 3244 B22R0.27190 O=C(NCCCCCCCCCCCCCO)NC[C@H](O)CO cb2dc958f4a69f414b8a9b23b85810c9 [0,2,0,0,0,0|2,0,0]=4 3245 B22R0.27190 O=CCCCCCCCCCCCCCC(=O)NCC(F)CO 764536a116f020215e68ab6c69ff491b [0,2,0,0,0,0|1,0,1]=4 3246 B22R0.27190 O=CCCCCCCCCCCCCCC(=O)NCC(O)CO 6f2e32c2d8f45adc03035669169403fc [0,2,0,0,0,0|1,0,1]=4 3247 B22R0.27190 O=CCCCCCCCCCCCCCC(=O)NC[C@@H](F)CO bb51880926bb508c4a48d5f77c409621 [0,2,0,0,0,0|1,0,1]=4 3248 B22R0.27190 O=CCCCCCCCCCCCCCC(=O)NC[C@@H](O)CO f94c1652b5b5c3e10b616972ed4fcd28 [0,2,0,0,0,0|1,0,1]=4 3249 B22R0.27190 O=CCCCCCCCCCCCCCC(=O)NC[C@H](F)CO 1ce5b0419c9e1acdaa1510cf5c5bf587 [0,2,0,0,0,0|1,0,1]=4 3250 B22R0.27190 O=CCCCCCCCCCCCCCC(=O)NC[C@H](O)CO 3eecf53bdc14fe36b070e0cf4b871d63 [0,2,0,0,0,0|1,0,1]=4 3251 B22R0.27191 C#CCCCCCCCCCCCCCC(=O)N(C)CCCO aaf12f85d7e3fbd9c0f901a53fced70a [0,2,0,0,0,0|0,0,2]=4 3252 B22R0.27191 C#CCCCCCCCCCCCCCC(=O)N(C)CCOC 612c5653ef8733c6288e2e42811d695e [0,2,0,0,0,0|0,0,2]=4 3253 B22R0.27191 C#CCCCCCCCCCCCCCC(=O)N(C)CCON d8a79bf49e7f70017c9e9c1ad2734f30 [0,2,0,0,0,0|0,0,2]=4 3254 B22R0.27191 C#CCCN(C)C(=O)CCCCCCCCCCCCCCC 2ff2407c691e24a7d888bb68dfb5b71d [0,2,0,0,0,0|1,0,0]=3 3255 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B22R0.27191 CCCCCCCCCCCCC/C=C/C(=O)N(C)CCON d770dc1d972e1f49e7b3288b85776f40 [0,2,0,0,0,0|0,0,2]=4 3285 B22R0.27191 CCCCCCCCCCCCCCCC(=O)N(C)CCC#N 5443efc832ca5d5ee61c15929fab9859 [0,2,0,0,0,0|1,0,0]=3 3286 B22R0.27191 CCCCCCCCCCCCCCCC(=O)N(C)CCCO afc70261126cc0eecfebeafcd0c401bd [0,2,0,0,0,0|0,0,0]=2 3287 B22R0.27191 CCCCCCCCCCCCCCCC(=O)N(C)CCOC a27c97708263cfa34671f699a84960c6 [0,2,0,0,0,0|0,0,0]=2 3288 B22R0.27191 CCCCCCCCCCCCCCCC(=O)N(C)CCON c8a3125ca1fdab9c21c2e4f970154675 [0,2,0,0,0,0|0,0,0]=2 3289 B22R0.27191 CCCCCCCCCCCCCCNC(=O)N(C)CCC#N 14893e6d594ee6ae0223a011a621309c [0,2,0,0,0,0|2,0,0]=4 3290 B22R0.27191 CCCCCCCCCCCCCCNC(=O)N(C)CCCO b0c5c6393e1ad15b358daa8364399df0 [0,2,0,0,0,0|1,0,0]=3 3291 B22R0.27191 CCCCCCCCCCCCCCNC(=O)N(C)CCNC 697b69fdd1629447e383c1be6c425293 [0,2,0,0,0,0|2,0,0]=4 3292 B22R0.27191 CCCCCCCCCCCCCCNC(=O)N(C)CCOC 4f9682ccbcade3c276ebf86df57126a8 [0,2,0,0,0,0|1,0,0]=3 3293 B22R0.27191 CCCCCCCCCCCCCCNC(=O)N(C)CCON 5bb4fa625bb18ea8128687f9ad2cccf0 [0,2,0,0,0,0|1,0,0]=3 3294 B22R0.27191 CCCCCCCCCCCCCCNC(=O)N(C)CCSC 8e7c16dc11c7ca4921bdc8c8c454a108 [0,2,0,0,0,0|1,1,0]=4 3295 B22R0.27191 CCCCCCCCCCCCCCNC(=S)N(C)CCCO 5d1166ca50a180c0fd89212bfd8c68bd [0,2,0,0,0,0|1,1,0]=4 3296 B22R0.27191 CCCCCCCCCCCCCCNC(=S)N(C)CCOC 333439d42e1b0a476dc47c32f80eaed2 [0,2,0,0,0,0|1,1,0]=4 3297 B22R0.27191 CCCCCCCCCCCCCCNC(=S)N(C)CCON fef930ed7ace5094ac1acb01f157a950 [0,2,0,0,0,0|1,1,0]=4 3298 B22R0.27191 CCCCCCCCCCCCCCNC(C)C(=O)NCCC 426136e7f047220554cd6cba35128214 [0,2,0,0,0,0|1,0,0]=3 3299 B22R0.27191 CCCCCCCCCCCCCCNC(C)C(=O)OCCC 65fd7c3f2cc2775c86ed0659b49272db [0,2,0,0,0,0|2,0,0]=4 3300 B22R0.27191 CCCCCCCCCCCCCCN[C@@H](C)C(=O)OCCC 81ebc5be167c620b3261eaae06c61017 [0,2,0,0,0,0|2,0,0]=4 3301 B22R0.27191 CCCCCCCCCCCCCCOC(C)C(=O)NCCC e4ea332f28ab2842831c28f140a8cf1a [0,2,0,0,0,0|1,0,0]=3 3302 B22R0.27191 CCCCCCCCCCCCCNCC(=O)N(C)CCCC f69344355b73dc507e8660ff96c7461f [0,2,0,0,0,0|2,0,0]=4 3303 B22R0.27191 CCCCCCCCCCCCCOCC(=O)N(C)CCCC 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CN(CCCO)C(=O)CCCCCCCCCCCCCC=O 66033c469b06def6d925fba9e7d92fbf [0,2,0,0,0,0|1,0,1]=4 3314 B22R0.27191 CN(CCCO)C(=O)CCCCCCCCCCCCCCO b8ce49f2d144b5d536a794f110fb6bc5 [0,2,0,0,0,0|1,0,0]=3 3315 B22R0.27191 CN(CCCO)C(=O)NCCCCCCCCCCCCCO 13fa4a1dab1d09372f5f038924a9dbd2 [0,2,0,0,0,0|2,0,0]=4 3316 B22R0.27191 CN(CCON)C(=O)CCCCCCCCCCCCCC=O 9371c3af4062b33d3db241cd0308262a [0,2,0,0,0,0|1,0,1]=4 3317 B22R0.27191 CN(CCON)C(=O)CCCCCCCCCCCCCCO d2f2dd71ae54c09b2585576b8b3d8de6 [0,2,0,0,0,0|1,0,0]=3 3318 B22R0.27191 CN(CCON)C(=O)NCCCCCCCCCCCCCO 8bcf5cc3e9378a2cb6f3b9ac78177819 [0,2,0,0,0,0|2,0,0]=4 3319 B22R0.27191 COCCN(C)C(=O)CCCCCCCCCCCCCC=O 7e12ca73515f1ec53a5952cab94083c9 [0,2,0,0,0,0|1,0,1]=4 3320 B22R0.27191 COCCN(C)C(=O)CCCCCCCCCCCCCCO 902f8d66aaacd19797c146eadc8c3cc5 [0,2,0,0,0,0|1,0,0]=3 3321 B22R0.27191 COCCN(C)C(=O)NCCCCCCCCCCCCCO c53349e2d1bdaa2dcde0987bc75358ad [0,2,0,0,0,0|2,0,0]=4 3322 B22R0.27191 CSCCN(C)C(=O)CCCCCCCCCCCCCCO 2726887f0f1e155be91cfba5e984470e [0,2,0,0,0,0|1,1,0]=4 3323 B22R0.34039 C#CCCNC(=O)CC(O)CCCCCCCCCCCCC 557d1605587a669fc74a0b5b7e556ee8 [0,2,0,0,0,0|1,0,0]=3 3324 B22R0.34039 C#CCCNC(=O)C[C@H](O)CCCCCCCCCCCCC 8a495da5bb5e387b65394f0baf5bd883 [0,2,0,0,0,0|1,0,0]=3 3325 B22R0.34039 C=CCCNC(=O)CC(O)CCCCCCCCCCCCC c4a27136677e66b0fff8c320f2959a31 [0,2,0,0,0,0|1,0,0]=3 3326 B22R0.34039 C=CCCNC(=O)C[C@H](O)CCCCCCCCCCCCC 0a358dcc1f138520ae6c4b26699ee743 [0,2,0,0,0,0|1,0,0]=3 3327 B22R0.34039 CC#CCNC(=O)CC(O)CCCCCCCCCCCCC 9c489faa8cabc4a974427dd38ae29c28 [0,2,0,0,0,0|1,0,1]=4 3328 B22R0.34039 CC#CCNC(=O)C[C@H](O)CCCCCCCCCCCCC 4498c5b539dccff4f8fed95fa27f3ed8 [0,2,0,0,0,0|1,0,1]=4 3329 B22R0.34039 CC=CCNC(=O)CC(O)CCCCCCCCCCCCC 377492f9835678886b4b9a0698bfe240 [0,2,0,0,0,0|1,0,1]=4 3330 B22R0.34039 CC=CCNC(=O)C[C@H](O)CCCCCCCCCCCCC 30c2616c198381b2aabc5d90a5a74116 [0,2,0,0,0,0|1,0,1]=4 3331 B22R0.34039 CCCCCCCCCCCCCC(O)CC(=O)NCCC#N dbd09f9ca7c338343e2ce66c590c0a0c [0,2,0,0,0,0|1,0,0]=3 3332 B22R0.34039 CCCCCCCCCCCCCC(O)CC(=O)NCCCC 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CCCCCCCCCCCCC[C@@H](O)CC(=O)NCCCCl b781d5c27fa7a1ab67df5b86f2ae056e [0,2,0,0,0,0|1,0,0]=3 3343 B22R0.34039 CCCCCCCCCCCCC[C@@H](O)CC(=O)NCCCO 4036ce60505ef4193ec949ecf129936d [0,2,0,0,0,0|0,0,0]=2 3344 B22R0.34039 CCCCCCCCCCCCC[C@@H](O)CC(=O)NCCOC 8b10daa276785f438320404657f409d5 [0,2,0,0,0,0|0,0,0]=2 3345 B22R0.34039 CCCCCCCCCCCCC[C@@H](O)CC(=O)NCCON 1640601df029f54f7a2c4bbd31355116 [0,2,0,0,0,0|0,0,0]=2 3346 B22R0.34039 CCCCCCCCCCCCC[C@@H](O)CC(=O)NCCSC 5f40533c41c940348d03423b1496b446 [0,2,0,0,0,0|0,1,0]=3 3347 B22R0.34039 COCCNC(=O)CN(C)CCCCCCCCCCCCO 121f540aee387e506a6306b0052afdc3 [0,2,0,0,0,0|2,0,0]=4 3348 B22R0.34039 COCCNC(=O)CN(C)CCCCCCCCCCCCS 6cabeb6e7f3a06d16e615a91da797fcd [0,2,0,0,0,0|2,0,0]=4 3349 B22R0.38216 C#CCCCC(=O)NCCCCCCCCCCCCCCC 32569ed83d49feef3e6108d4772dacba [0,2,0,0,0,0|2,0,0]=4 3350 B22R0.38216 C#CCCCCCCCCCCCCCCC(=O)NCCC#C 178f141a6a31f12e67bc74da661a2f4f [0,2,0,0,0,0|1,0,1]=4 3351 B22R0.38216 C#CCCCCCCCCCCCCCCC(=O)NCCC#N 5bf0f5f99a609b6966ae08e60ef491ac [0,2,0,0,0,0|1,0,1]=4 3352 B22R0.38216 C#CCCCCCCCCCCCCCCC(=O)NCCC=C fa7716349df48ed2ae4ce2cd18ffcfda [0,2,0,0,0,0|1,0,1]=4 3353 B22R0.38216 C#CCCCCCCCCCCCCCCC(=O)NCCCC 17321641c588ae039f702341fb531560 [0,2,0,0,0,0|1,0,1]=4 3354 B22R0.38216 C#CCCCCCCCCCCCCCCC(=O)NCCCCl eddc16b5ac5a4c818312f1a6b4293565 [0,2,0,0,0,0|1,0,1]=4 3355 B22R0.38216 C#CCCCCCCCCCCCCCCC(=O)NCCCO b790977c3ca930b7c790de7d5b59d6e9 [0,2,0,0,0,0|0,0,1]=3 3356 B22R0.38216 C#CCCCCCCCCCCCCCCC(=O)NCCOC 6920020bd76f6206d8f0b2b561a12e76 [0,2,0,0,0,0|0,0,1]=3 3357 B22R0.38216 C#CCCCCCCCCCCCCCCC(=O)NCCON 40c9ced199fb101bf07e0d6991e9fbd2 [0,2,0,0,0,0|0,0,1]=3 3358 B22R0.38216 C#CCCCCCCCCCCCCCCC(=O)NCCSC d9063c82b2f5d8b29f5daf1363e8f9a7 [0,2,0,0,0,0|0,1,1]=4 3359 B22R0.38216 C#CCCCCCCCCCCCCOCC(=O)NCCOC d0a75374c2d22a28fdb606ebeabe4459 [0,2,0,0,0,0|0,0,2]=4 3360 B22R0.38216 C#CCCNC(=O)CCCCCCCC/C=C/CCCCCC fe049165f0224548fcc10c8822e95f58 [0,2,0,0,0,0|1,0,1]=4 3361 B22R0.38216 C#CCCNC(=O)CCCCCCCC/C=C\CCCCCC 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C#CCCNC(=S)NCCCCCCCCCCCCCCC de7a677894adcf6f1ff7fd99f306d5da [0,2,0,0,0,0|1,1,0]=4 3372 B22R0.38216 C=CCCCCCCCCCCCCCCC(=O)NCCC#N 601ced951ad99d7cb7172c03afe9b615 [0,2,0,0,0,0|1,0,1]=4 3373 B22R0.38216 C=CCCCCCCCCCCCCCCC(=O)NCCCO ee76bdcb643210fb46af6443537e0d63 [0,2,0,0,0,0|0,0,1]=3 3374 B22R0.38216 C=CCCCCCCCCCCCCCCC(=O)NCCOC b0b51f40727c3cae4bf2cdf7c82c33e2 [0,2,0,0,0,0|0,0,1]=3 3375 B22R0.38216 C=CCCCCCCCCCCCCCCC(=O)NCCON 2d1aefc10ca8755aab95bb2bfea6899f [0,2,0,0,0,0|0,0,1]=3 3376 B22R0.38216 C=CCCCCCCCCCCCCOCC(=O)NCCOC 3fca768997501c45b34036e5a7e12e4e [0,2,0,0,0,0|0,0,2]=4 3377 B22R0.38216 C=CCCNC(=O)CCCCCCCCCCCCCCC=O 4c56ad6bcd93e9d199e0bda7245c3def [0,2,0,0,0,0|1,0,1]=4 3378 B22R0.38216 C=CCCNC(=O)CCCCCCCCCCCCCCCO 1121ed22b47d73903484b09cbd088668 [0,2,0,0,0,0|1,0,0]=3 3379 B22R0.38216 C=CCCNC(=O)NCCCCCCCCCCCCCCC 661d11e25fe9ae19c21a94eab877ab9e [0,2,0,0,0,0|1,0,0]=3 3380 B22R0.38216 C=CCCNC(=O)NCCCCCCCCCCCCCCN 7b4748229480a3c493b4b24fcbb4e6d0 [0,2,0,0,0,0|2,0,0]=4 3381 B22R0.38216 CC#CCNC(=O)CCCCCCCCCCCCCCCC c7163dc0a8f32fd794ec0dd0a3386bcb [0,2,0,0,0,0|1,0,1]=4 3382 B22R0.38216 CC#CCNC(=O)CCCCCCCCCCCCCCCF 167f4526bd962ec5e4ffbd1836b1e3c6 [0,2,0,0,0,0|1,0,1]=4 3383 B22R0.38216 CC#CCNC(=O)CCCCCCCCCCCCCCCO ac98ef873658730e2ff57c40d5093396 [0,2,0,0,0,0|1,0,1]=4 3384 B22R0.38216 CC#CCNC(=O)CCCCCCCCCCCCCCCS bdbd40e7bbf40c003ca58d95ffce6a19 [0,2,0,0,0,0|1,0,1]=4 3385 B22R0.38216 CC#CCNC(=O)CSCCCCCCCCCCCCCC cacf70a2f8f9f55cbb4f5b1c76f1888c [0,2,0,0,0,0|1,0,1]=4 3386 B22R0.38216 CC/C=C/CCCCCCCCCCOCC(=O)NCCOC 31200201f4a5373c90ccb4f895702fd5 [0,2,0,0,0,0|0,0,2]=4 3387 B22R0.38216 CC/C=C\CCCCCCCCCCOCC(=O)NCCOC 82e97410db825dd457ef08b0fb78ad3a [0,2,0,0,0,0|0,0,2]=4 3388 B22R0.38216 CC=CCNC(=O)CCCCCCCCCCCCCCCO bd5df54a116c4e574db580c9434970e1 [0,2,0,0,0,0|1,0,1]=4 3389 B22R0.38216 CC=CCNC(=O)NCCCCCCCCCCCCCCC bcaacb354fe883cb72ab6e68dbe7bc4b [0,2,0,0,0,0|1,0,1]=4 3390 B22R0.38216 CCC=CCCCCCCCCCCOCC(=O)NCCOC 3bd7fedf0f72f991b7036aadc4ac500c [0,2,0,0,0,0|0,0,2]=4 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[0,2,0,0,0,0|0,0,1]=3 3401 B22R0.38216 CCCCCC/C=C\CCCCCCOCC(=O)NCCOC fd1f240d4c864588aa5f05a658488315 [0,2,0,0,0,0|0,0,2]=4 3402 B22R0.38216 CCCCCCCC/C=C/CCCCOCC(=O)NCCOC 191a076c979907aec9d806226ffe0141 [0,2,0,0,0,0|0,0,2]=4 3403 B22R0.38216 CCCCCCCC/C=C\CCCCOCC(=O)NCCOC e326d16ffada201509e3fb82624dff4b [0,2,0,0,0,0|0,0,2]=4 3404 B22R0.38216 CCCCCCCCCCCCCCCCC(=O)NCCC#N 72e63b3089400925e161021907d596b8 [0,2,0,0,0,0|1,0,0]=3 3405 B22R0.38216 CCCCCCCCCCCCCCCCC(=O)NCCCO 479599b1004220fb779816d8eb54baa8 [0,2,0,0,0,0|0,0,0]=2 3406 B22R0.38216 CCCCCCCCCCCCCCCCC(=O)NCCOC e682312b64c091822396ea7ee761c30b [0,2,0,0,0,0|0,0,0]=2 3407 B22R0.38216 CCCCCCCCCCCCCCCCC(=O)NCCON d1bbdd45b999fd2f1dfe98392bb3a8dd [0,2,0,0,0,0|0,0,0]=2 3408 B22R0.38216 CCCCCCCCCCCCCCCNC(=O)/C=C/COC 801190868d6305facb01dee081bb4246 [0,2,0,0,0,0|1,0,1]=4 3409 B22R0.38216 CCCCCCCCCCCCCCCNC(=O)C#CCCO e3999a51fcc5c7b3a6be7ddc38d37cea [0,2,0,0,0,0|1,0,0]=3 3410 B22R0.38216 CCCCCCCCCCCCCCCNC(=O)C#CCOC 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1a45874ded04ac5a43aeb8e3cc8711cb [0,2,0,0,0,0|0,1,0]=3 3431 B22R0.38216 CCCCCCCCCCCCCCCNC(=S)NCCSC 8588967e603ecb5b1a61e94a84169fd2 [0,2,0,0,0,0|0,2,0]=4 3432 B22R0.38216 CCCCCCCCCCCCCCNCC(=O)NCCC#N c480e11f29813dba0001ea7b022e677c [0,2,0,0,0,0|1,0,0]=3 3433 B22R0.38216 CCCCCCCCCCCCCCNCC(=O)NCCCC f8d007fd87663f31d00a4d81aaaa4212 [0,2,0,0,0,0|1,0,0]=3 3434 B22R0.38216 CCCCCCCCCCCCCCNCC(=O)NCCOC 47dc9b938eff519614505f748acfc383 [0,2,0,0,0,0|0,0,0]=2 3435 B22R0.38216 CCCCCCCCCCCCCCNCC(=O)OCCCC 2cd9bdb9208ac535e7646add6dd6fe7e [0,2,0,0,0,0|2,0,0]=4 3436 B22R0.38216 CCCCCCCCCCCCCCNCC(=O)OCCOC 50e783c84a46a805cc5f7effaf3df025 [0,2,0,0,0,0|1,0,0]=3 3437 B22R0.38216 CCCCCCCCCCCCCCOCC(=O)NCCC#N 61cbd16f813c50a2b0ec5bf9ec34d38b [0,2,0,0,0,0|1,0,0]=3 3438 B22R0.38216 CCCCCCCCCCCCCCOCC(=O)NCCCC e23e6d64114f54c2dfb36ba765e57561 [0,2,0,0,0,0|1,0,0]=3 3439 B22R0.38216 CCCCCCCCCCCCCCOCC(=O)NCCOC 26eadeffad933a29bb5e26b2f3f5de0c [0,2,0,0,0,0|0,0,0]=2 3440 B22R0.38216 CCCCCCCCCCCCCCOCC(=O)OCCOC 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ccd5edb19bdfc60fa090729352317148 [0,2,0,0,0,0|1,0,0]=3 3461 B22R0.38216 COCCNC(=O)NCCCCCCCCCCCCCCN 0730f1674c6a0f5c42a2a844fe3c7d77 [0,2,0,0,0,0|1,0,0]=3 3462 B22R0.38216 COCCNC(=S)NCCCCCCCCCCCCCCN fb26c132f46ec76f92f5634b4ea6c886 [0,2,0,0,0,0|1,1,0]=4 3463 B22R0.38216 COCCOC(=O)CNCCCCCCCCCCCCCO 16ce2f29912b02026e31a7a3850bd3eb [0,2,0,0,0,0|2,0,0]=4 3464 B22R0.38216 CSCCNC(=O)CCCCCCCCCCCCCCC=O 44337e16c9c8b5c677acd25e7e69bd7e [0,2,0,0,0,0|0,1,1]=4 3465 B22R0.38216 CSCCNC(=O)CCCCCCCCCCCCCCCF 2f2a00465a57bf66718cbd021297086c [0,2,0,0,0,0|0,1,0]=3 3466 B22R0.38216 CSCCNC(=O)CCCCCCCCCCCCCCCO 6837b05622eb7b71220a34d5a6f02641 [0,2,0,0,0,0|0,1,0]=3 3467 B22R0.38216 CSCCNC(=O)CCCCCCCCCCCCCCCS 512950e8fe017c5b1046ca137107ee1c [0,2,0,0,0,0|0,1,0]=3 3468 B22R0.38216 CSCCNC(=O)NCCCCCCCCCCCCCCN 46a30d3c530d67d1ab714defc9d73e13 [0,2,0,0,0,0|1,1,0]=4 3469 B22R0.38216 N#CCCNC(=O)CCCCCCCCCCCCCCC=O a0dbcd1124687476f6073c1dd7a1d94c [0,2,0,0,0,0|1,0,1]=4 3470 B22R0.38216 N#CCCNC(=O)CCCCCCCCCCCCCCCF 1f2d2c5d9fd6ce6afa63a4d2abf51eff [0,2,0,0,0,0|1,0,0]=3 3471 B22R0.38216 N#CCCNC(=O)CCCCCCCCCCCCCCCO 003524ea35c8d73075e01b245f6fe513 [0,2,0,0,0,0|1,0,0]=3 3472 B22R0.38216 N#CCCNC(=O)CCCCCCCCCCCCCCCS 90939db793a7ea83d5d529be684df073 [0,2,0,0,0,0|1,0,0]=3 3473 B22R0.38216 N#CCCNC(=O)CNCCCCCCCCCCCCCO 62f6dc7cbbf262afaad5afef604b911f [0,2,0,0,0,0|2,0,0]=4 3474 B22R0.38216 N#CCCNC(=O)NCCCCCCCCCCCCCCN a15163bf057ae2a2b6af2ea2be5b1378 [0,2,0,0,0,0|2,0,0]=4 3475 B22R0.38216 NCCCCCCCCCCCCCCNC(=O)NCCCN 45ca85da4a8f5546b134c6fe3d7ad517 [0,2,0,0,0,0|2,0,0]=4 3476 B22R0.38216 NCCCCCCCCCCCCCCNC(=O)NCCCO 43619458ee6ef59a9e22423febbabe85 [0,2,0,0,0,0|1,0,0]=3 3477 B22R0.38216 NCCCCCCCCCCCCCCNC(=O)NCCON 1e45d1111eb6dc4e1bd36f1ad6fc3a3f [0,2,0,0,0,0|1,0,0]=3 3478 B22R0.38216 NCCCCCCCCCCCCCCNC(=S)NCCCO 6118892dba56fd6455f56aab8d05d0d2 [0,2,0,0,0,0|1,1,0]=4 3479 B22R0.38216 NCCCCCCCCCCCCCCNC(=S)NCCON 38bec4251ae2a1b2a9410555c4e5bd16 [0,2,0,0,0,0|1,1,0]=4 3480 B22R0.38216 NOCCNC(=O)CCCCCCCCCCCCCCC=O 4df2edababa01f39f2b4097fd9c07405 [0,2,0,0,0,0|0,0,1]=3 3481 B22R0.38216 NOCCNC(=O)CCCCCCCCCCCCCCCF 2b94bc08d4573b27aeadf583fd589b62 [0,2,0,0,0,0|0,0,0]=2 3482 B22R0.38216 NOCCNC(=O)CCCCCCCCCCCCCCCO fbdff91844ddc4624de441199002eb2c [0,2,0,0,0,0|0,0,0]=2 3483 B22R0.38216 NOCCNC(=O)CCCCCCCCCCCCCCCS 718fc950fba34052611f9be91767d261 [0,2,0,0,0,0|0,0,0]=2 3484 B22R0.38216 O=C(CCCCCCCCCCCCCCCF)NCCCO 98af8350336722a4b1e3bb55b3f39e1c [0,2,0,0,0,0|0,0,0]=2 3485 B22R0.38216 O=C(CCCCCCCCCCCCCCCO)NCCCCl 5c107e128c44303c12fef5ff6eccfb07 [0,2,0,0,0,0|1,0,0]=3 3486 B22R0.38216 O=C(CCCCCCCCCCCCCCCO)NCCCO 6b08bf0747cee3ff82c4428c339421ba [0,2,0,0,0,0|0,0,0]=2 3487 B22R0.38216 O=C(CCCCCCCCCCCCCCCS)NCCCO 9a529b88d642c790a3a3ceda07fbed9e [0,2,0,0,0,0|0,0,0]=2 3488 B22R0.38216 O=CCCCCCCCCCCCCCCC(=O)NCCCCl a1d25c00e0ed026a24e96ae5bee539cf [0,2,0,0,0,0|1,0,1]=4 3489 B22R0.38216 O=CCCCCCCCCCCCCCCC(=O)NCCCO 336c5bf65de1870b02d6ac4fc8e036c8 [0,2,0,0,0,0|0,0,1]=3 3490 B22R0.38436 C#CCCNC(=O)CCCCCCCC(O)CCCCCCC 3fa2901f002bfae7cc0ed279af73e419 [0,2,0,0,0,0|1,0,0]=3 3491 B22R0.38436 C=CCCNC(=O)CCCCCCCC(O)CCCCCCC b61a549f1084abe3aa27fc92d59bafa4 [0,2,0,0,0,0|1,0,0]=3 3492 B22R0.38436 CC#CCNC(=O)CCCCCCCC(O)CCCCCCC 4a450d40800f4580878af5fc26dc5f59 [0,2,0,0,0,0|1,0,1]=4 3493 B22R0.38436 CC=CCNC(=O)CCCCCCCC(O)CCCCCCC 1ae5da7d94166ee6014a03b7adb25fe7 [0,2,0,0,0,0|1,0,1]=4 3494 B22R0.38436 CCCCCCCC(O)CCCCCCCC(=O)NCCC#N c84579c604f76ce40942fa3544c7dc99 [0,2,0,0,0,0|1,0,0]=3 3495 B22R0.38436 CCCCCCCC(O)CCCCCCCC(=O)NCCCC 55ddb91a55c9123083433a9054ae7549 [0,2,0,0,0,0|1,0,0]=3 3496 B22R0.38436 CCCCCCCC(O)CCCCCCCC(=O)NCCCCl 079c8ad8cce945abbe144b47c5356282 [0,2,0,0,0,0|1,0,0]=3 3497 B22R0.38436 CCCCCCCC(O)CCCCCCCC(=O)NCCCO 41e476563df452d84afad2d0a01a0fb4 [0,2,0,0,0,0|0,0,0]=2 3498 B22R0.38436 CCCCCCCC(O)CCCCCCCC(=O)NCCOC 018ca6dfd170c3f5c00c542a6e6d6308 [0,2,0,0,0,0|0,0,0]=2 3499 B22R0.38436 CCCCCCCC(O)CCCCCCCC(=O)NCCON 416b89ec754f13f9e47f8da0a13b573b [0,2,0,0,0,0|0,0,0]=2 3500 B22R0.38436 CCCCCCCC(O)CCCCCCCC(=O)NCCSC 7483c137d672ec0793bb6d0090e64ee3 [0,2,0,0,0,0|0,1,0]=3 3501 B22R0.54422 C#CCCNC(=O)CCCCCCCCCCC(=O)CCCC 95db12252b338598d32139e2f4bf3a9d [0,2,0,0,0,0|1,0,1]=4 3502 B22R0.54422 C#CCCNC(=O)CCCCCCCCCCC(O)CCCC 74d951fa6d3bf6986772109ce4ccccf4 [0,2,0,0,0,0|1,0,0]=3 3503 B22R0.54422 C=CCCNC(=O)CCCCCCCCCCC(=O)CCCC 07916c0a228c9b3b87aa19e342e333ad [0,2,0,0,0,0|1,0,1]=4 3504 B22R0.54422 C=CCCNC(=O)CCCCCCCCCCC(O)CCCC d3bf0bcd85a6cef0517f4bbf694f110e [0,2,0,0,0,0|1,0,0]=3 3505 B22R0.54422 CC#CCNC(=O)CCCCCCCCCCC(O)CCCC 4f6cc185a1736ec37219120859eca5a0 [0,2,0,0,0,0|1,0,1]=4 3506 B22R0.54422 CC=CCNC(=O)CCCCCCCCCCC(O)CCCC 079ef3aa10a18502943c2f5aff50b19f [0,2,0,0,0,0|1,0,1]=4 3507 B22R0.54422 CCCCC(=O)CCCCCCCCCCC(=O)NCCC#N f9004499c8b46fec014d5ebe8f14a58c [0,2,0,0,0,0|1,0,1]=4 3508 B22R0.54422 CCCCC(=O)CCCCCCCCCCC(=O)NCCCCl 7d4f09d72820ab42c2f5be12e7edc88c [0,2,0,0,0,0|1,0,1]=4 3509 B22R0.54422 CCCCC(=O)CCCCCCCCCCC(=O)NCCCO 2d4332a5f63d84e7defef9c6db3e0479 [0,2,0,0,0,0|0,0,1]=3 3510 B22R0.54422 CCCCC(=O)CCCCCCCCCCC(=O)NCCOC 8ba4110531c24dc1e4971796de658933 [0,2,0,0,0,0|0,0,1]=3 3511 B22R0.54422 CCCCC(=O)CCCCCCCCCCC(=O)NCCON 759c8dd10bce164c8221f9395f0c6fca [0,2,0,0,0,0|0,0,1]=3 3512 B22R0.54422 CCCCC(=O)CCCCCCCCCCC(=O)NCCSC ca97227d03cf6dc572371d34c6019b59 [0,2,0,0,0,0|0,1,1]=4 3513 B22R0.54422 CCCCC(O)CCCCCCCCCCC(=O)NCCC#N 1f5a3ab23f44292807fc65597420fe4f [0,2,0,0,0,0|1,0,0]=3 3514 B22R0.54422 CCCCC(O)CCCCCCCCCCC(=O)NCCCCl f7dfe375e8a1279506d2af69cdf97181 [0,2,0,0,0,0|1,0,0]=3 3515 B22R0.54422 CCCCC(O)CCCCCCCCCCC(=O)NCCCO 3352bc48dd2f5498205d7b36e6603027 [0,2,0,0,0,0|0,0,0]=2 3516 B22R0.54422 CCCCC(O)CCCCCCCCCCC(=O)NCCOC a2b3866782361bb52c5cf10bb22bb491 [0,2,0,0,0,0|0,0,0]=2 3517 B22R0.54422 CCCCC(O)CCCCCCCCCCC(=O)NCCON 414f676530932df18453ddc34aa6bfce [0,2,0,0,0,0|0,0,0]=2 3518 B22R0.54422 CCCCC(O)CCCCCCCCCCC(=O)NCCSC c96f30c15a9f90b70831acca9b61fee4 [0,2,0,0,0,0|0,1,0]=3 3519 B22R0.54422 CCCCNC(=O)CCCCCCCCCCC(=O)CCCC 6d0ef704979eaf0a09c6e16ea6f9157c [0,2,0,0,0,0|1,0,1]=4 3520 B22R0.54422 CCCCNC(=O)CCCCCCCCCCC(O)CCCC 7416d14ba3898aa2d150b0985878308a [0,2,0,0,0,0|1,0,0]=3 3521 B22R0.9382 C#CCNC(=O)COCC(C)CCCCCCCCCCCC b65e5097f8a5abf76690ec282cb7b2aa [0,2,0,0,0,0|1,0,1]=4 3522 B22R0.9382 C=CCNC(=O)CCOC(C)CCCCCCCCCCCC 6e057def1835ecbdb633212e4525b961 [0,2,0,0,0,0|1,0,1]=4 3523 B22R0.9382 C=CCNC(=O)COCC(C)CCCCCCCCCCCC 66b0b8b97dc42b588679e8d6c5f5820d [0,2,0,0,0,0|1,0,1]=4 3524 B22R0.9382 CCCCCCCCCCCCC(C)COCC(=O)NCC#N 350b36f9aa52ce543eb4bbea39b24f67 [0,2,0,0,0,0|1,0,1]=4 3525 B22R0.9382 CCCCCCCCCCCCC(C)COCC(=O)NCCC 9961d1853b9db00a2e065b50e4c98798 [0,2,0,0,0,0|1,0,0]=3 3526 B22R0.9382 CCCCCCCCCCCCC(C)COCC(=O)OCCC fcb016230e71eb6ceb850cc172d0aea5 [0,2,0,0,0,0|2,0,0]=4 3527 B22R0.9382 CCCCCCCCCCCCN(C)CCCC(=O)NCCC 8e9410388c7a8ec647956083a95f6a29 [0,2,0,0,0,0|1,0,0]=3 3528 B22R0.9382 CCCCCCCCCCCNC(=O)CCCC(=O)NCCC d49d5b00cdb24ba3ff4d6d299957cf5b [0,2,0,0,0,0|1,0,1]=4 3529 B22R0.9480 CCOC(=O)CCCCCCCCCCCNC(=O)NCCO 20e42917c3ea5d4755152ad70216df0b [0,2,0,0,0,0|1,0,1]=4 3530 B22R0.9480 CCOC(=O)CCCCCCCCCCNCC(=O)NCCO ca2a83f32ef185f8f6cab186e5591ea3 [0,2,0,0,0,0|1,0,1]=4 3531 B22R0.9483 C#CC(C)NC(=O)CCCCCCCCCCCCCCCC 35c9d1fe26a2afa15b5259fef1763313 [0,2,0,0,0,0|1,0,1]=4 3532 B22R0.9483 C#CC(C)NC(=O)CCCCCCCCCCCCCCCF be49158855fb8a45b7880bbe15851d9e [0,2,0,0,0,0|1,0,1]=4 3533 B22R0.9483 C#CC(C)NC(=O)CCCCCCCCCCCCCCCO d16fb78d3c265a0c598f068d91a2cd42 [0,2,0,0,0,0|1,0,1]=4 3534 B22R0.9483 C#CC(C)NC(=O)CCCCCCCCCCCCCCCS 0fb39e65963d687c9c1d22915d568ffb [0,2,0,0,0,0|1,0,1]=4 3535 B22R0.9483 C#CC(C)NC(=O)CSCCCCCCCCCCCCCC b7dde8f011847cb64a6dfd2eb19dee74 [0,2,0,0,0,0|1,0,1]=4 3536 B22R0.9483 C#CC(C)NC(=O)NCCCCCCCCCCCCCCC 7209c08c4cd966a1116b4155aae3eca3 [0,2,0,0,0,0|1,0,1]=4 3537 B22R0.9483 C#CCCCCCCCCCCCCCCC(=O)NC(C)CC 82252c77b3dbb7452bd315510b39c793 [0,2,0,0,0,0|1,0,1]=4 3538 B22R0.9483 C#CCCCCCCCCCCCCCCC(=O)NC(C)CO abf2780cff06e3e25185e819fbfe6eba [0,2,0,0,0,0|0,0,1]=3 3539 B22R0.9483 C#CCCCCCCCCCCCCCCC(=O)N[C@@H](C)CC cb2d8db794ea1a37b34e08f6a8fa315a [0,2,0,0,0,0|1,0,1]=4 3540 B22R0.9483 C#CCCCCCCCCCCCCCCC(=O)N[C@@H](C)CO 93c5759ffa6845a06b041be5eec008d6 [0,2,0,0,0,0|0,0,1]=3 3541 B22R0.9483 C#CCCCCCCCCCCCCCCC(=O)N[C@H](C)CC 5402a70a56156cef048852f798158996 [0,2,0,0,0,0|1,0,1]=4 3542 B22R0.9483 C#CCCCCCCCCCCCCCCC(=O)N[C@H](C)CO 24693848139b11e8c0e8dc2da9c2749c [0,2,0,0,0,0|0,0,1]=3 3543 B22R0.9483 C#C[C@@H](C)NC(=O)CCCCCCCCCCCCCCCC 5018d845314ddc3df961042bac2f9de4 [0,2,0,0,0,0|1,0,1]=4 3544 B22R0.9483 C#C[C@@H](C)NC(=O)CCCCCCCCCCCCCCCF 1e077f5abadb389d4eeb6a15eec22d4a [0,2,0,0,0,0|1,0,1]=4 3545 B22R0.9483 C#C[C@@H](C)NC(=O)CCCCCCCCCCCCCCCO 2cf87177b32768feb63b3a2ea4cb170f [0,2,0,0,0,0|1,0,1]=4 3546 B22R0.9483 C#C[C@@H](C)NC(=O)CCCCCCCCCCCCCCCS 06b7e41d408780201fb18e6d9ead10fd [0,2,0,0,0,0|1,0,1]=4 3547 B22R0.9483 C#C[C@@H](C)NC(=O)CSCCCCCCCCCCCCCC 9d623b023c919b419798617fc70099d6 [0,2,0,0,0,0|1,0,1]=4 3548 B22R0.9483 C#C[C@@H](C)NC(=O)NCCCCCCCCCCCCCCC 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CC[C@H](C)NC(=O)CCCCCCCCCCCCCCCO 93baa143dfb50c647824c45f8d6d0949 [0,2,0,0,0,0|1,0,0]=3 3607 B22R0.9483 CC[C@H](C)NC(=O)NCCCCCCCCCCCCCCN ea329d1cb10af457172899b3541b8c9b [0,2,0,0,0,0|2,0,0]=4 3608 B22R0.9483 C[C@@H](CO)NC(=O)CCCCCCCCCCCCCCC=O c2af133254ec9a6f32da12a0242d35ea [0,2,0,0,0,0|0,0,1]=3 3609 B22R0.9483 C[C@@H](CO)NC(=O)CCCCCCCCCCCCCCCF f5b6b6e8946cb90ada43a796f8f26aad [0,2,0,0,0,0|0,0,0]=2 3610 B22R0.9483 C[C@@H](CO)NC(=O)CCCCCCCCCCCCCCCO 2d6e5f8bcb3c689298ffaa0416472877 [0,2,0,0,0,0|0,0,0]=2 3611 B22R0.9483 C[C@@H](CO)NC(=O)CCCCCCCCCCCCCCCS b01ca944aa8c77ab89cca2c4dd2b6c27 [0,2,0,0,0,0|0,0,0]=2 3612 B22R0.9483 C[C@@H](CO)NC(=O)NCCCCCCCCCCCCCCN 385c5368df8e4925713261787191decc [0,2,0,0,0,0|1,0,0]=3 3613 B22R0.9483 C[C@@H](CO)NC(=S)NCCCCCCCCCCCCCCN b4075c3ffcf91fa18d524e494da79a2a [0,2,0,0,0,0|1,1,0]=4 3614 B22R0.9483 C[C@H](CO)NC(=O)CCCCCCCCCCCCCCC=O accd7d8d963cecd693541ac5f6c7721f [0,2,0,0,0,0|0,0,1]=3 3615 B22R0.9483 C[C@H](CO)NC(=O)CCCCCCCCCCCCCCCF 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C#CCN(C)C(=O)CCCCCCCCCCCCCCCO 8f7383413fdbec9d53394a9d9cfc7770 [0,2,0,0,0,0|1,0,1]=4 3626 B22R0.9484 C#CCN(C)C(=O)CCCCCCCCCCCCCCCS 95ff6e6f84c4763dc3652e8151d80f69 [0,2,0,0,0,0|1,0,1]=4 3627 B22R0.9484 C#CCN(C)C(=O)CSCCCCCCCCCCCCCC 8612a082adf9c49742223d025eb77ced [0,2,0,0,0,0|1,0,1]=4 3628 B22R0.9484 C#CCN(C)C(=O)NCCCCCCCCCCCCCCC 325258b130b633851345a7c0bd9885fa [0,2,0,0,0,0|1,0,1]=4 3629 B22R0.9484 C=CCCCCCCCCCCCCCCC(=O)N(C)CCO bd220e12f384bda5a10c9b362a19e51c [0,2,0,0,0,0|0,0,1]=3 3630 B22R0.9484 C=CCN(C)C(=O)CCCCCCCCCCCCCCCO 46d3b42b0706253deda4344f16429266 [0,2,0,0,0,0|1,0,1]=4 3631 B22R0.9484 C=CCN(C)C(=O)NCCCCCCCCCCCCCCC 568e6a37750dd3c66874a0b98d37d393 [0,2,0,0,0,0|1,0,1]=4 3632 B22R0.9484 CCCCCC/C=C/CCCCCCCCC(=O)N(C)CCO 7989468b7c0bc65b212c1a4eb179bf65 [0,2,0,0,0,0|0,0,1]=3 3633 B22R0.9484 CCCCCC/C=C\CCCCCCCCC(=O)N(C)CCO 1166e537da2699d0c221c971bd5730d9 [0,2,0,0,0,0|0,0,1]=3 3634 B22R0.9484 CCCCCCCCCCCCCCCCC(=O)N(C)CC#N 398067d9f230c5dc679cc481a83ca8d8 [0,2,0,0,0,0|1,0,1]=4 3635 B22R0.9484 CCCCCCCCCCCCCCCCC(=O)N(C)CCO 3bfc9a3d731eb280b24adabb1eda8200 [0,2,0,0,0,0|0,0,0]=2 3636 B22R0.9484 CCCCCCCCCCCCCCCNC(=O)C(=O)CCC e9090e3cc129974e697ba0e4c0729bb5 [0,2,0,0,0,0|2,0,0]=4 3637 B22R0.9484 CCCCCCCCCCCCCCCNC(=O)C(O)CCC c84eaf323630c72087e1a0a0a14db99d [0,2,0,0,0,0|2,0,0]=4 3638 B22R0.9484 CCCCCCCCCCCCCCCNC(=O)N(C)CC#N 629d2f0ac8b617d3dda42b896d0ba213 [0,2,0,0,0,0|1,0,1]=4 3639 B22R0.9484 CCCCCCCCCCCCCCCNC(=O)N(C)CCF 66e52f8c03e6f9ecd92dbc8270e029ee [0,2,0,0,0,0|1,0,0]=3 3640 B22R0.9484 CCCCCCCCCCCCCCCNC(=O)N(C)CCO ee4dccf7f46f16dfa2a879ad6e4ccf76 [0,2,0,0,0,0|0,0,0]=2 3641 B22R0.9484 CCCCCCCCCCCCCCCNC(=O)[C@@H](O)CCC 4b55f1111b433b6cf598b6d82b59cf40 [0,2,0,0,0,0|2,0,0]=4 3642 B22R0.9484 CCCCCCCCCCCCCCCNC(=O)[C@H](O)CCC 4d9ada30b37ba9dd5444f5239404c260 [0,2,0,0,0,0|2,0,0]=4 3643 B22R0.9484 CCCCCCCCCCCCCCCNC(=S)N(C)CCF 7116f928ef4b473bd5a796e2aca2a1bf [0,2,0,0,0,0|1,1,0]=4 3644 B22R0.9484 CCCCCCCCCCCCCCCNC(=S)N(C)CCO c47a94e7b1670bc627d2b95b3cb4f128 [0,2,0,0,0,0|0,1,0]=3 3645 B22R0.9484 CCCCCCCCCCCCCCSCC(=O)N(C)CC#N 22c4bad3c25b603e5ce9fccf7152e8ee [0,2,0,0,0,0|1,0,1]=4 3646 B22R0.9484 CCCCCCCCCCCCCCSCC(=O)N(C)CCF b91f8245fd5f2c02d4ff91de5c806ed5 [0,2,0,0,0,0|1,0,0]=3 3647 B22R0.9484 CCCCCCCCCCCCCCSCC(=O)N(C)CCO 9f2ed499e1e169f53f5175b0c28063c1 [0,2,0,0,0,0|0,0,0]=2 3648 B22R0.9484 CCCN(C)C(=O)CCCCCCCCCCCCCCC=O fbcc87cd20d28dfe5bc604365ced2389 [0,2,0,0,0,0|1,0,1]=4 3649 B22R0.9484 CCCN(C)C(=O)CCCCCCCCCCCCCCCO 68b413314fdc5f7b600435aecb99d080 [0,2,0,0,0,0|1,0,0]=3 3650 B22R0.9484 CCCN(C)C(=O)NCCCCCCCCCCCCCCN 8297594b46c7149d599dab457baba8c4 [0,2,0,0,0,0|2,0,0]=4 3651 B22R0.9484 CN(CC#N)C(=O)CCCCCCCCCCCCCCCF 4d449eb67454bd3477f69ec5d1555cfb [0,2,0,0,0,0|1,0,1]=4 3652 B22R0.9484 CN(CC#N)C(=O)CCCCCCCCCCCCCCCO d76c445715da1d8dda6a23a860bbeaac [0,2,0,0,0,0|1,0,1]=4 3653 B22R0.9484 CN(CC#N)C(=O)CCCCCCCCCCCCCCCS f6e9d96b3d7ad6c99019352a639a629b [0,2,0,0,0,0|1,0,1]=4 3654 B22R0.9484 CN(CCF)C(=O)CCCCCCCCCCCCCCC=O 7aab310ba393dfd6987bd49dda19176e [0,2,0,0,0,0|1,0,1]=4 3655 B22R0.9484 CN(CCF)C(=O)CCCCCCCCCCCCCCCF 103fa358495cddbaa668878409adfdd9 [0,2,0,0,0,0|1,0,0]=3 3656 B22R0.9484 CN(CCF)C(=O)CCCCCCCCCCCCCCCO f6f2e7f05c076fd45a9ca93099f17b61 [0,2,0,0,0,0|1,0,0]=3 3657 B22R0.9484 CN(CCF)C(=O)CCCCCCCCCCCCCCCS ff40e70a0c966abd4eae03f158a7a85b [0,2,0,0,0,0|1,0,0]=3 3658 B22R0.9484 CN(CCF)C(=O)NCCCCCCCCCCCCCCN abff85dd1f6b34834ce8627e1cbc19f5 [0,2,0,0,0,0|2,0,0]=4 3659 B22R0.9484 CN(CCO)C(=O)CCCCCCCCCCCCCCC=O 217883d4c984408d67ba166587bc9a99 [0,2,0,0,0,0|0,0,1]=3 3660 B22R0.9484 CN(CCO)C(=O)CCCCCCCCCCCCCCCF b5d5d4520688a20fe71bc0be3cd01f99 [0,2,0,0,0,0|0,0,0]=2 3661 B22R0.9484 CN(CCO)C(=O)CCCCCCCCCCCCCCCO 4ade30bbcbc0b14fa62a54941c10ec3c [0,2,0,0,0,0|0,0,0]=2 3662 B22R0.9484 CN(CCO)C(=O)CCCCCCCCCCCCCCCS 8d65a6353a3d029aac916b6a0af5761a [0,2,0,0,0,0|0,0,0]=2 3663 B22R0.9484 CN(CCO)C(=O)NCCCCCCCCCCCCCCN b6b4a288707808599bd2f1c52618112b [0,2,0,0,0,0|1,0,0]=3 3664 B22R0.9484 CN(CCO)C(=S)NCCCCCCCCCCCCCCN 239c6fc8132e7a9afdf32041206aa744 [0,2,0,0,0,0|1,1,0]=4 3665 B22R0.10807 CCCCCCCCCCC(C)COCCCC(=O)NCCC 8df9a2f478eb149605da4d50ff08d3d1 [0,2,0,0,0,0|1,0,0]=3 3666 B22R0.10807 CCCCCCCCCOC(=O)CCCNCC(=O)NCCO 63368a7616d23467e2e63dfe7677822e [0,2,0,0,0,0|1,0,1]=4 3667 B22R0.15755 C#CCNC(=O)CCCCCCCCC(=O)CCCCCCC cd8f52f5d84a29e9c8bae9d45c956ac7 [0,2,0,0,0,0|1,0,1]=4 3668 B22R0.15755 C#CCNC(=O)CCCCCCCCC(O)CCCCCCO 71594750c1870ab68d9d3ee35aef6508 [0,2,0,0,0,0|1,0,1]=4 3669 B22R0.15755 CCCCCCCC(=O)CCCCCCCCC(=O)NCC#N ff9b05fe8d5c4cdd46f2386c6a8b3684 [0,2,0,0,0,0|1,0,1]=4 3670 B22R0.15755 CCCCCCCC(=O)CCCCCCCCC(=O)NCCBr dfa34271786a28c42ae7a2ab6de9dd33 [0,2,0,0,0,0|1,0,0]=3 3671 B22R0.15755 CCCCCCCC(=O)CCCCCCCCC(=O)NCCC d673ed9ce51d2a103977f97a887abab4 [0,2,0,0,0,0|1,0,0]=3 3672 B22R0.15755 CCCCCCCC(=O)CCCCCCCCC(=O)NCCF 96cd7aaf81574c05e144523aed06000a [0,2,0,0,0,0|1,0,0]=3 3673 B22R0.15755 CCCCCCCC(=O)CCCCCCCCC(=O)NCCI 53cedfb472859c28cf83a02af5058b70 [0,2,0,0,0,0|1,0,0]=3 3674 B22R0.15755 CCCCCCCC(=O)CCCCCCCCC(=O)NCCO 9e0560630a39868a38463bfd835e6971 [0,2,0,0,0,0|0,0,0]=2 3675 B22R0.15755 CCCCCCCC(=O)CCCCCCCCC(=O)NCCS 33730222d6be1d0c3a1de5bf72432e26 [0,2,0,0,0,0|0,1,0]=3 3676 B22R0.15755 CCCNC(=O)CCCCCCCCC(O)CCCCCCO 29983ccaa697657a228969a13b503eee [0,2,0,0,0,0|1,0,0]=3 3677 B22R0.15755 N#CCNC(=O)CCCCCCCCC(O)CCCCCCO 5a178f513ef63cb72c70b2f9e878e049 [0,2,0,0,0,0|1,0,1]=4 3678 B22R0.15755 O=C(CCCCCCCCC(O)CCCCCCO)NCCBr 98d50448808812a9fb7814c744b24bfc [0,2,0,0,0,0|1,0,0]=3 3679 B22R0.15755 O=C(CCCCCCCCC(O)CCCCCCO)NCCF db2476bd7f60d1c254d7acd87e9b35cc [0,2,0,0,0,0|1,0,0]=3 3680 B22R0.15755 O=C(CCCCCCCCC(O)CCCCCCO)NCCI a94b04115fa9ea42bc28be9271d14375 [0,2,0,0,0,0|1,0,0]=3 3681 B22R0.15755 O=C(CCCCCCCCC(O)CCCCCCO)NCCO edb8aec627a8c93b74c0702e5094edad [0,2,0,0,0,0|0,0,0]=2 3682 B22R0.15755 O=C(CCCCCCCCC(O)CCCCCCO)NCCS a39830759de6ad2e0fa056b969e0ffb8 [0,2,0,0,0,0|0,1,0]=3 3683 B22R0.16286 COC(=O)CCCCCCCCCCCNCC(=O)NCCO 673b90b22a044b902d69c1bb83d3dc6d [0,2,0,0,0,0|1,0,1]=4 3684 B22R0.16461 C#CCNC(=O)CCCCCCCCCCCCCCC(C)C 8e6d1587b615b75c671b59ed8ca188fb [0,2,0,0,0,0|1,0,1]=4 3685 B22R0.16461 CC(C)CCCCCCCCCCCCCCC(=O)NCC#N 1229ba558506c27907dc407fa4d2da06 [0,2,0,0,0,0|1,0,1]=4 3686 B22R0.16461 CC(C)CCCCCCCCCCCCCCC(=O)NCCO 5ebab98a94dd2944599643e2ba993944 [0,2,0,0,0,0|0,0,0]=2 3687 B22R0.16461 CCCNC(=O)CCCOCCCCCCCCCCC(C)C fd0e7f9314c2182e852e492850b90052 [0,2,0,0,0,0|1,0,0]=3 3688 B22R0.16461 O=C(O)CCCCCCCCCCCCCNC(=O)NCCO 8ed7373e988896d8fb52bac58b13f4b2 [0,2,0,0,0,0|1,0,1]=4 3689 B22R0.16461 O=C(O)CCCCCCCCCCCCNCC(=O)NCCO 502d24ad2b660e6511c8319adbaaf8ee [0,2,0,0,0,0|1,0,1]=4 3690 B22R0.17437 CCCCCCCOC(=O)CCCCCNCC(=O)NCCO 59f38fdcae27b1579620457c79b5afdc [0,2,0,0,0,0|1,0,1]=4 3691 B22R0.21900 C#CCNC(=O)CCCCCCCCCC(=O)CCCCCC 6b92ad73320922acd2c3290a47a24a11 [0,2,0,0,0,0|1,0,1]=4 3692 B22R0.21900 C#CCNC(=O)CCCCCCCCCC(O)CCCCCC 8cd04054e390862ca94a83b18e7f3c16 [0,2,0,0,0,0|1,0,1]=4 3693 B22R0.21900 CCCCCCC(=O)CCCCCCCCCC(=O)NCC#N 890f36e09e9d675d05897f28a321e3c8 [0,2,0,0,0,0|1,0,1]=4 3694 B22R0.21900 CCCCCCC(=O)CCCCCCCCCC(=O)NCCBr a6681b736f44c9dfcdfd19845b71d6e8 [0,2,0,0,0,0|1,0,0]=3 3695 B22R0.21900 CCCCCCC(=O)CCCCCCCCCC(=O)NCCC 1c74a5e47d52b970e953c4be2941cbd7 [0,2,0,0,0,0|1,0,0]=3 3696 B22R0.21900 CCCCCCC(=O)CCCCCCCCCC(=O)NCCF 68763b5666a19972b767ff8e4167e600 [0,2,0,0,0,0|1,0,0]=3 3697 B22R0.21900 CCCCCCC(=O)CCCCCCCCCC(=O)NCCI c0f3e15bd0caea2f27421608f0697415 [0,2,0,0,0,0|1,0,0]=3 3698 B22R0.21900 CCCCCCC(=O)CCCCCCCCCC(=O)NCCO 0c7a2f9b6ccb3627af84a152b58b812c [0,2,0,0,0,0|0,0,0]=2 3699 B22R0.21900 CCCCCCC(=O)CCCCCCCCCC(=O)NCCS 64ddd5aa0766dc908e3ea0db75163d52 [0,2,0,0,0,0|0,1,0]=3 3700 B22R0.21900 CCCCCCC(O)CCCCCCCCCC(=O)NCC#N 488b8e25fb95f4185fe2a14d2318fc1b [0,2,0,0,0,0|1,0,1]=4 3701 B22R0.21900 CCCCCCC(O)CCCCCCCCCC(=O)NCCBr e33d987e28fb0874eff4ad7ff312cabd [0,2,0,0,0,0|1,0,0]=3 3702 B22R0.21900 CCCCCCC(O)CCCCCCCCCC(=O)NCCC 61e57e45071a794b45945e5db50f1ec7 [0,2,0,0,0,0|1,0,0]=3 3703 B22R0.21900 CCCCCCC(O)CCCCCCCCCC(=O)NCCF b1b5bc7e1a3f697665305dbb4a8b8cf6 [0,2,0,0,0,0|1,0,0]=3 3704 B22R0.21900 CCCCCCC(O)CCCCCCCCCC(=O)NCCI b3cdb218e8f3bea95f883497f4a3eff2 [0,2,0,0,0,0|1,0,0]=3 3705 B22R0.21900 CCCCCCC(O)CCCCCCCCCC(=O)NCCO 019571f82ad6e4bac6e35f03e2a91404 [0,2,0,0,0,0|0,0,0]=2 3706 B22R0.21900 CCCCCCC(O)CCCCCCCCCC(=O)NCCS 839bee5017675bc27124dfc79c1ac699 [0,2,0,0,0,0|0,1,0]=3 3707 B22R0.26796 CCCCCCCCCCCCCC(=O)NCC(=O)NCCBr 385bc8ea8d9c322ee46941928fe3763a [0,2,0,0,0,0|1,0,1]=4 3708 B22R0.26796 CCCCCCCCCCCCCC(=O)NCC(=O)NCCC 0a6b89b402ea31923826b57c891e7673 [0,2,0,0,0,0|1,0,1]=4 3709 B22R0.26796 CCCCCCCCCCCCCC(=O)NCC(=O)NCCF 84159592ac63ec4a0546d40b04243b8f [0,2,0,0,0,0|1,0,1]=4 3710 B22R0.26796 CCCCCCCCCCCCCC(=O)NCC(=O)NCCI 7226e5d365fd32f8aa0204208ac983e1 [0,2,0,0,0,0|1,0,1]=4 3711 B22R0.26796 CCCCCCCCCCCCCC(=O)NCC(=O)NCCO 413b673ef53fa83617ba926ac06eb40f [0,2,0,0,0,0|0,0,1]=3 3712 B22R0.26796 CCCCCCCCCCCCCC(=O)NCC(=O)NCCS f8b58889181e62a3ef0be7186700729e [0,2,0,0,0,0|0,1,1]=4 3713 B22R0.26796 CCCCCCCCCCCCNC(=O)CCC(=O)NCCC 58284ff84734ca8adc7da00c5a6310a7 [0,2,0,0,0,0|1,0,1]=4 3714 B22R0.26796 CCCCCCCCCCCCNC(=O)CCC(=O)NCCO 67d11ed5bab6ab41f51f11c5aa7210bb [0,2,0,0,0,0|0,0,1]=3 3715 B22R0.26796 CCCCCCCCCCCCNC(=O)NCC(=O)NCCO 825bb5b16f5ece22cb983226f9157b67 [0,2,0,0,0,0|1,0,1]=4 3716 B22R0.26796 CCCCCCCCCCCCNC(=S)NCC(=O)NCCO 20aed1bad6030ec9547f66ffc8928bb1 [0,2,0,0,0,0|1,0,1]=4 3717 B22R0.26796 CCCCCCCCOCCCNC(=O)CCC(=O)NCCO 15cf0b10d23aed85907260072a78baa8 [0,2,0,0,0,0|1,0,1]=4 3718 B22R0.26796 O=C(CCC(=O)NCCCCCCCCCCCO)NCCO 670a7abe6b36003f7701721a89ce9bf0 [0,2,0,0,0,0|1,0,1]=4 3719 B22R0.26796 O=C(CCCCCCCCCCCCO)NCC(=O)NCCO 024c7a5edf2d8344c9efe1ccd90ddf60 [0,2,0,0,0,0|1,0,1]=4 3720 B22R0.33855 C#CCNC(=O)CC(O)CCCCCCCCCCCCCC d3c472aa294e11a1c38033f7c65b4207 [0,2,0,0,0,0|1,0,1]=4 3721 B22R0.33855 C#CCNC(=O)CN(C)CCCCCCCCCCCCCC d1c1f6b6985b281af20f5cfb838b1d59 [0,2,0,0,0,0|1,0,1]=4 3722 B22R0.33855 C=CCNC(=O)CN(C)CCCCCCCCCCCCCC 13d5f6ad3c6c76ede0a3a66d49e9f492 [0,2,0,0,0,0|1,0,1]=4 3723 B22R0.33855 CCCCCCCCCCCCCCC(O)CC(=O)NCC#N 1169844a3bd328f797828536ef00afe9 [0,2,0,0,0,0|1,0,1]=4 3724 B22R0.33855 CCCCCCCCCCCCCCC(O)CC(=O)NCCBr 46236a69dc792134f29a3a7f55b1f9ee [0,2,0,0,0,0|1,0,0]=3 3725 B22R0.33855 CCCCCCCCCCCCCCC(O)CC(=O)NCCC 0fc5bcd9a6717848c3a7d7f6e1beecf6 [0,2,0,0,0,0|1,0,0]=3 3726 B22R0.33855 CCCCCCCCCCCCCCC(O)CC(=O)NCCF 6c4c5f6f6833200a0e6824bbc501bda1 [0,2,0,0,0,0|1,0,0]=3 3727 B22R0.33855 CCCCCCCCCCCCCCC(O)CC(=O)NCCI 9a406bcdd4e9a70e8efd6bc6a2d34729 [0,2,0,0,0,0|1,0,0]=3 3728 B22R0.33855 CCCCCCCCCCCCCCC(O)CC(=O)NCCO d21f4f6a56988ddf0126719361173d4e [0,2,0,0,0,0|0,0,0]=2 3729 B22R0.33855 CCCCCCCCCCCCCCC(O)CC(=O)NCCS e183f3cfd223685a315730f6ddffd312 [0,2,0,0,0,0|0,1,0]=3 3730 B22R0.33855 CCCCCCCCCCCCCCN(C)CC(=O)NCC#N cb37a5835eb8f8021ff24a0ad92c5e84 [0,2,0,0,0,0|1,0,1]=4 3731 B22R0.33855 CCCCCCCCCCCCCCN(C)CC(=O)NCCC 2fbeed6ae7188a75423e52a960d7f6f3 [0,2,0,0,0,0|1,0,0]=3 3732 B22R0.33855 CCCCCCCCCCCCCCN(C)CC(=O)OCCC a8984877189dea596a85a5ecdb6f9e64 [0,2,0,0,0,0|2,0,0]=4 3733 B22R0.33855 CCCNC(=O)CN(C)CCCCCCCCCCCCCO 376f85a1ef271ac25d21d65862304fa6 [0,2,0,0,0,0|2,0,0]=4 3734 B22R0.37971 C#CCCCCCCCCCCCCCCC(=O)NCC(C)C c14913d50cb3405d4e4a52a3c3e55157 [0,2,0,0,0,0|1,0,1]=4 3735 B22R0.37971 C#CCCCCCCCCCCCCCCC(=O)NCC(C)O 969a17255ae5157d142081dd6d3244c8 [0,2,0,0,0,0|0,0,1]=3 3736 B22R0.37971 C#CCCCCCCCCCCCCCCC(=O)NCC(F)F 2ceeb64b3309a681053f8d1415a0795e [0,2,0,0,0,0|1,0,1]=4 3737 B22R0.37971 C#CCCCCCCCCCCCCCCC(=O)NC[C@@H](C)O 66582550fd6160c7006797812ddd3789 [0,2,0,0,0,0|0,0,1]=3 3738 B22R0.37971 C#CCCCCCCCCCCCCCCC(=O)NC[C@H](C)O 410e0658275116ece5c9c63ca6955f1c [0,2,0,0,0,0|0,0,1]=3 3739 B22R0.37971 C=C(Br)CNC(=O)CCCCCCCCCCCCCCCO c383661faa2cb7193ac4ff635e91818d [0,2,0,0,0,0|1,0,1]=4 3740 B22R0.37971 C=C(C)CNC(=O)CCCCCCCCCCCCCCCO 32dba5b23d003281f9b472ed36aa250f [0,2,0,0,0,0|1,0,1]=4 3741 B22R0.37971 C=C(C)CNC(=O)NCCCCCCCCCCCCCCC ccc3a6ec7b32e3c1b54115efefa80c37 [0,2,0,0,0,0|1,0,1]=4 3742 B22R0.37971 C=CCCCCCCCCCCCCCCC(=O)NCC(C)O e4c5644d8f2601682d154e038090b597 [0,2,0,0,0,0|0,0,1]=3 3743 B22R0.37971 C=CCCCCCCCCCCCCCCC(=O)NC[C@@H](C)O e566e62b60d521b8d7e8b4da60e18806 [0,2,0,0,0,0|0,0,1]=3 3744 B22R0.37971 C=CCCCCCCCCCCCCCCC(=O)NC[C@H](C)O d053bd60c24ff6f51e26ade038f742de [0,2,0,0,0,0|0,0,1]=3 3745 B22R0.37971 CC(=O)CNC(=O)CCCCCCCCCCCCCCCF e7aec0ed87a5377da579218166e03b3b [0,2,0,0,0,0|0,0,2]=4 3746 B22R0.37971 CC(=O)CNC(=O)CCCCCCCCCCCCCCCO d5f0bb24df9e3787320b89f29a349dc5 [0,2,0,0,0,0|0,0,2]=4 3747 B22R0.37971 CC(=O)CNC(=O)CCCCCCCCCCCCCCCS 205eba6092fb0adee74d3a32ac58011b [0,2,0,0,0,0|0,0,2]=4 3748 B22R0.37971 CC(C)CNC(=O)CCCCCCCCCCCCCCC=O 944d692a462c8e8757326668504570a1 [0,2,0,0,0,0|1,0,1]=4 3749 B22R0.37971 CC(C)CNC(=O)CCCCCCCCCCCCCCCO 0727354c0a1b2f35be77b951657a5385 [0,2,0,0,0,0|1,0,0]=3 3750 B22R0.37971 CC(C)CNC(=O)CCCNCCCCCCCCCCCO bf56225f753ee5b2e39dd983ad10c345 [0,2,0,0,0,0|2,0,0]=4 3751 B22R0.37971 CC(C)CNC(=O)CCCOCCCCCCCCCCCS d4944742b1843d2f45a7a35d8c4a744f [0,2,0,0,0,0|2,0,0]=4 3752 B22R0.37971 CC(C)CNC(=O)CNCCCCCCCCCCCCCO 7e2247e1024ac91967fd8cdcd467d745 [0,2,0,0,0,0|2,0,0]=4 3753 B22R0.37971 CC(C)CNC(=O)NCCCCCCCCCCCCCCN 4bd16bd21da979fe0ea58e35fd8873d8 [0,2,0,0,0,0|2,0,0]=4 3754 B22R0.37971 CC(O)CNC(=O)CCCCCCCCCCCCCCC=O 0686c6c9acd6c008998cb639189d01e6 [0,2,0,0,0,0|0,0,1]=3 3755 B22R0.37971 CC(O)CNC(=O)CCCCCCCCCCCCCCCF b2ebb271d1720b587ccf2cda45b55bf1 [0,2,0,0,0,0|0,0,0]=2 3756 B22R0.37971 CC(O)CNC(=O)CCCCCCCCCCCCCCCO 7b4bdb0e30215bc5d4c9db890d2cfba5 [0,2,0,0,0,0|0,0,0]=2 3757 B22R0.37971 CC(O)CNC(=O)CCCCCCCCCCCCCCCS 1e35dcf8a4239a64565b5639221b26e7 [0,2,0,0,0,0|0,0,0]=2 3758 B22R0.37971 CC(O)CNC(=O)NCCCCCCCCCCCCCCN ee147198328d91db5ea9b4b19586f25e [0,2,0,0,0,0|1,0,0]=3 3759 B22R0.37971 CC(O)CNC(=S)NCCCCCCCCCCCCCCN 6ef09d5371806fd7db0dad5c90b75bac [0,2,0,0,0,0|1,1,0]=4 3760 B22R0.37971 CCCCCC/C=C/CCCCCCCCC(=O)NCC(C)O 3401e3e386e0d6be790968128162c71e [0,2,0,0,0,0|0,0,1]=3 3761 B22R0.37971 CCCCCC/C=C/CCCCCCCCC(=O)NC[C@@H](C)O c46f128bac6548cfac1a6a821d8c306e [0,2,0,0,0,0|0,0,1]=3 3762 B22R0.37971 CCCCCC/C=C/CCCCCCCCC(=O)NC[C@H](C)O 8586675103af2e8ec8418a0ee9a5a260 [0,2,0,0,0,0|0,0,1]=3 3763 B22R0.37971 CCCCCC/C=C\CCCCCCCCC(=O)NCC(C)O 1ab5d3e4001a1f0ff7d4005ed16be0d6 [0,2,0,0,0,0|0,0,1]=3 3764 B22R0.37971 CCCCCC/C=C\CCCCCCCCC(=O)NC[C@@H](C)O 59970a5df455b48a3786572033c36f16 [0,2,0,0,0,0|0,0,1]=3 3765 B22R0.37971 CCCCCC/C=C\CCCCCCCCC(=O)NC[C@H](C)O 17b2a15afe2312801eb45e29ec36804f [0,2,0,0,0,0|0,0,1]=3 3766 B22R0.37971 CCCCCCCCCCCCCCCCC(=O)NCC(=O)C 88fb80442bb3f460936bcf117565dc23 [0,2,0,0,0,0|0,0,2]=4 3767 B22R0.37971 CCCCCCCCCCCCCCCCC(=O)NCC(=O)N 946a5bfbe1494e3d22ec4df564f81960 [0,2,0,0,0,0|0,0,2]=4 3768 B22R0.37971 CCCCCCCCCCCCCCCCC(=O)NCC(C)O 52f4d3ae74d03bf930082567de0cb954 [0,2,0,0,0,0|0,0,0]=2 3769 B22R0.37971 CCCCCCCCCCCCCCCCC(=O)NC[C@@H](C)O 2d025f7db47ab570f012b546dedce80e [0,2,0,0,0,0|0,0,0]=2 3770 B22R0.37971 CCCCCCCCCCCCCCCCC(=O)NC[C@H](C)O 43e8f40bb0bcc5ccbd82b8d024423d6b [0,2,0,0,0,0|0,0,0]=2 3771 B22R0.37971 CCCCCCCCCCCCCCCNC(=O)CCC(C)O 2d230658d7f0b5fe1afb5477bb075f6d [0,2,0,0,0,0|1,0,0]=3 3772 B22R0.37971 CCCCCCCCCCCCCCCNC(=O)NCC(=O)C fadf470185a506ef0caf2270939e31e7 [0,2,0,0,0,0|0,0,2]=4 3773 B22R0.37971 CCCCCCCCCCCCCCCNC(=O)NCC(=O)N ad8f8dd13fb079f2c4c6a4b0cb28188c [0,2,0,0,0,0|0,0,2]=4 3774 B22R0.37971 CCCCCCCCCCCCCCCNC(=O)NCC(=O)O d4883caf88dc4bc9770f15bfe2d31b35 [0,2,0,0,0,0|0,0,1]=3 3775 B22R0.37971 CCCCCCCCCCCCCCCNC(=O)NCC(C)O 8cf60701b0198e1312fc6691095e2940 [0,2,0,0,0,0|0,0,0]=2 3776 B22R0.37971 CCCCCCCCCCCCCCCNC(=O)NCC(F)F 9a463d3346caaeff806718d1d3f3b207 [0,2,0,0,0,0|1,0,0]=3 3777 B22R0.37971 CCCCCCCCCCCCCCCNC(=O)NC[C@@H](C)O 36a1033bdc2eb4868bb3bc3d771c6886 [0,2,0,0,0,0|0,0,0]=2 3778 B22R0.37971 CCCCCCCCCCCCCCCNC(=O)NC[C@H](C)O 8e25213503f932b3c3ddfde575bcc7a5 [0,2,0,0,0,0|0,0,0]=2 3779 B22R0.37971 CCCCCCCCCCCCCCCNC(=S)NCC(=O)O 24056e11c43b927e3c247b1bcd3c4dc9 [0,2,0,0,0,0|0,1,1]=4 3780 B22R0.37971 CCCCCCCCCCCCCCCNC(=S)NCC(C)O ff3f1a5281f112b1e967b5d1b0d00df7 [0,2,0,0,0,0|0,1,0]=3 3781 B22R0.37971 CCCCCCCCCCCCCCCNC(=S)NCC(F)F f72dffdac93f1d77db51c1ed4856b5d9 [0,2,0,0,0,0|1,1,0]=4 3782 B22R0.37971 CCCCCCCCCCCCCCCNC(=S)NC[C@@H](C)O 047e46e1c4c9c1c8b2464b9a9e1c4e6f [0,2,0,0,0,0|0,1,0]=3 3783 B22R0.37971 CCCCCCCCCCCCCCCNC(=S)NC[C@H](C)O a723ef55bd5c769d0cdc86ad0831f3b2 [0,2,0,0,0,0|0,1,0]=3 3784 B22R0.37971 CCCCCCCCCCCCCCNCC(=O)CCC(=O)O e790f7b08df0f362ec045c82b565f5db [0,2,0,0,0,0|1,0,1]=4 3785 B22R0.37971 CCCCCCCCCCCCCCNCC(=O)NCC(=O)C 8ecad8389721ab3b1eb25affe1b335f8 [0,2,0,0,0,0|0,0,2]=4 3786 B22R0.37971 CCCCCCCCCCCCCCNCC(=O)NCC(=O)O ed74be2e7c522a854abb40ac93c97bab [0,2,0,0,0,0|0,0,1]=3 3787 B22R0.37971 CCCCCCCCCCCCCCNCC(=O)NCC(C)C 5504f855e21dc8e2f39f9f7b56f8762e [0,2,0,0,0,0|1,0,0]=3 3788 B22R0.37971 CCCCCCCCCCCCCCOCC(=O)CCC(=O)O 8ec3bf86c64a5e9e42b079be852c7b33 [0,2,0,0,0,0|1,0,1]=4 3789 B22R0.37971 CCCCCCCCCCCCCCOCC(=O)NCC(=O)C cec75be47a102cd4474d25c775c151ca [0,2,0,0,0,0|0,0,2]=4 3790 B22R0.37971 CCCCCCCCCCCCCCOCC(=O)NCC(=O)O a2e62318e5c49df875cb96ec32da63a4 [0,2,0,0,0,0|0,0,1]=3 3791 B22R0.37971 CCCCCCCCCCCCCCOCC(=O)NCC(C)C 68ca889371ec4548dd1bbd9c62dd0aeb [0,2,0,0,0,0|1,0,0]=3 3792 B22R0.37971 CCCCCCCCCCCCCCSCC(=O)NCC(=O)C 8d00f6b7b0ba3585463e0fee73623cad [0,2,0,0,0,0|0,0,2]=4 3793 B22R0.37971 CCCCCCCCCCCCCCSCC(=O)NCC(=O)N 80463ee3883504b869b516b0f21f75cd [0,2,0,0,0,0|0,0,2]=4 3794 B22R0.37971 CCCCCCCCCCCCCCSCC(=O)NCC(C)O 3ec9ab213fb7a1a0aef07ec3d4fd585b [0,2,0,0,0,0|0,0,0]=2 3795 B22R0.37971 CCCCCCCCCCCCCCSCC(=O)NCC(F)F 386b2e5b7ee5dd3bfa25c27af8e4a842 [0,2,0,0,0,0|1,0,0]=3 3796 B22R0.37971 CCCCCCCCCCCCCCSCC(=O)NC[C@@H](C)O 69022e4fe5bee28a8df2373843f44b72 [0,2,0,0,0,0|0,0,0]=2 3797 B22R0.37971 CCCCCCCCCCCCCCSCC(=O)NC[C@H](C)O 697db9884cfc14dd4e228591b7e3d346 [0,2,0,0,0,0|0,0,0]=2 3798 B22R0.37971 CCCCCCCCCCCCNCCCC(=O)NCC(C)C 7a3f59ff215479f48d6b5edcc3e41635 [0,2,0,0,0,0|1,0,0]=3 3799 B22R0.37971 CCCCCCCCCCCCOCCCC(=O)NCC(C)C edc823566dcfa7a084b770c871a0df48 [0,2,0,0,0,0|1,0,0]=3 3800 B22R0.37971 CCCCCCCCCCCOCCOCC(=O)NCC(=O)O f4c9a7b1f7342456ee9edfdf4fbc92fc [0,2,0,0,0,0|1,0,1]=4 3801 B22R0.37971 CCCCCCCCCCCOCCOCC(=O)NCC(C)C 84d7b3dfbd4163804823bc7eb00fe613 [0,2,0,0,0,0|2,0,0]=4 3802 B22R0.37971 CCCCCCCCOCCCNCCCC(=O)NCC(C)C 267281038db74aee68e548f39fecefc8 [0,2,0,0,0,0|2,0,0]=4 3803 B22R0.37971 CCCCCCCOCCCCOCCCC(=O)NCC(C)C f5d91a5b4b793a2d21aaf8601820f1a2 [0,2,0,0,0,0|2,0,0]=4 3804 B22R0.37971 CCOCCCCCCCCCOCCCC(=O)NCC(C)C 51a19dfb57ee9f8e24c30efe76fa7011 [0,2,0,0,0,0|2,0,0]=4 3805 B22R0.37971 C[C@@H](O)CNC(=O)CCCCCCCCCCCCCCC=O 1340a8c9978bcddb66cac3e8c9b0647b [0,2,0,0,0,0|0,0,1]=3 3806 B22R0.37971 C[C@@H](O)CNC(=O)CCCCCCCCCCCCCCCF 2ef23e0d311691d3e7c07144161d647e [0,2,0,0,0,0|0,0,0]=2 3807 B22R0.37971 C[C@@H](O)CNC(=O)CCCCCCCCCCCCCCCO 4afd7d954b47069a7ca64f04d142433f [0,2,0,0,0,0|0,0,0]=2 3808 B22R0.37971 C[C@@H](O)CNC(=O)CCCCCCCCCCCCCCCS 85bffa38f019cb88c861db150b220de9 [0,2,0,0,0,0|0,0,0]=2 3809 B22R0.37971 C[C@@H](O)CNC(=O)NCCCCCCCCCCCCCCN ef2b5e051e24ba4d376ec3190107710f [0,2,0,0,0,0|1,0,0]=3 3810 B22R0.37971 C[C@@H](O)CNC(=S)NCCCCCCCCCCCCCCN c7c4d9c8096b069528e64ad7fd36e5ff [0,2,0,0,0,0|1,1,0]=4 3811 B22R0.37971 C[C@H](O)CNC(=O)CCCCCCCCCCCCCCC=O 8548b0a2179842e46ef3d4c03e3e1d03 [0,2,0,0,0,0|0,0,1]=3 3812 B22R0.37971 C[C@H](O)CNC(=O)CCCCCCCCCCCCCCCF 7a6b4d6b9378e352bd262755ad12dd32 [0,2,0,0,0,0|0,0,0]=2 3813 B22R0.37971 C[C@H](O)CNC(=O)CCCCCCCCCCCCCCCO 7dd46bfa3f56af6c04902b35aa7d21fe [0,2,0,0,0,0|0,0,0]=2 3814 B22R0.37971 C[C@H](O)CNC(=O)CCCCCCCCCCCCCCCS 8d26e20df19df9ed69c077f46b6c42f7 [0,2,0,0,0,0|0,0,0]=2 3815 B22R0.37971 C[C@H](O)CNC(=O)NCCCCCCCCCCCCCCN 3bf1524b2a3165e94e8cb73f3e38687c [0,2,0,0,0,0|1,0,0]=3 3816 B22R0.37971 C[C@H](O)CNC(=S)NCCCCCCCCCCCCCCN bf0835ba82f9a24397c0d56d4b57a51c [0,2,0,0,0,0|1,1,0]=4 3817 B22R0.37971 NC(=O)CNC(=O)CCCCCCCCCCCCCCCF 88964304b0dcdf1e516bcafe92600bb1 [0,2,0,0,0,0|0,0,2]=4 3818 B22R0.37971 NC(=O)CNC(=O)CCCCCCCCCCCCCCCO 6e39ec6728745a462eab82ecd74cce38 [0,2,0,0,0,0|0,0,2]=4 3819 B22R0.37971 NC(=O)CNC(=O)CCCCCCCCCCCCCCCS e8a86a141b66d8c8f85a85507cafcbd1 [0,2,0,0,0,0|0,0,2]=4 3820 B22R0.37971 NCCCCCCCCCCCCCCNC(=O)NCC(=O)O 2dc027c43d1ba492abe275fea8e11783 [0,2,0,0,0,0|1,0,1]=4 3821 B22R0.37971 NCCCCCCCCCCCCCCNC(=O)NCC(F)F 7dcca120981a04b00989347df1b68ce4 [0,2,0,0,0,0|2,0,0]=4 3822 B22R0.37971 O=C(CCCCCCCCCCCCCCCF)NCC(F)F e0898e39ec0bcb5dd92ce27a1deba91a [0,2,0,0,0,0|1,0,0]=3 3823 B22R0.37971 O=C(CCCCCCCCCCCCCCCO)NCC(F)F 9cc7a3dd8d53fbca971adf1a49ca3133 [0,2,0,0,0,0|1,0,0]=3 3824 B22R0.37971 O=C(CCCCCCCCCCCCCCCS)NCC(F)F 11c0619473533efbd5df1d2017a614f4 [0,2,0,0,0,0|1,0,0]=3 3825 B22R0.37971 O=C(O)CNC(=O)CNCCCCCCCCCCCCCO cc4eddadda915bda53d781ae28a4cfd7 [0,2,0,0,0,0|1,0,1]=4 3826 B22R0.37971 O=CCCCCCCCCCCCCCCC(=O)NCC(F)F 9ca7d8e4e9fc288d9a5071136fa96e2f [0,2,0,0,0,0|1,0,1]=4 3827 B22R0.38515 C#CCCCCCCCCCCCCCCCC(=O)NCC#C deadf60a97e5c66b18e90168f8127b67 [0,2,0,0,0,0|1,0,1]=4 3828 B22R0.38515 C#CCCCCCCCCCCCCCCCC(=O)NCC#N 0745a72e77f013987af1df4927f3f005 [0,2,0,0,0,0|1,0,1]=4 3829 B22R0.38515 C#CCCCCCCCCCCCCCCCC(=O)NCCBr 3c5697cfeb531e475dd8137b1ec0f8d1 [0,2,0,0,0,0|1,0,0]=3 3830 B22R0.38515 C#CCCCCCCCCCCCCCCCC(=O)NCCC 3e5288f98aa76e821ac006eba7736401 [0,2,0,0,0,0|1,0,0]=3 3831 B22R0.38515 C#CCCCCCCCCCCCCCCCC(=O)NCCF f708907943b113428db88231f449b421 [0,2,0,0,0,0|1,0,0]=3 3832 B22R0.38515 C#CCCCCCCCCCCCCCCCC(=O)NCCO 25b69b095b640e79c76a703fcdeabed2 [0,2,0,0,0,0|0,0,0]=2 3833 B22R0.38515 C#CCCCCCCCCCCCCCCCC(=O)NCCS 9186b48554c9be814698bebf2f7e8863 [0,2,0,0,0,0|0,1,0]=3 3834 B22R0.38515 C#CCCCCCCCCCCCOCCCC(=O)NCCC 9ba0370e139960669d32748d245d7b6e [0,2,0,0,0,0|1,0,1]=4 3835 B22R0.38515 C#CCNC(=O)/C=C/CCCCCCCCCCCCCCC f096a9fa39417322d5e43d6b535721d5 [0,2,0,0,0,0|1,0,1]=4 3836 B22R0.38515 C#CCNC(=O)CCCC/C=C\CCCCCCCCCCC f2cdf75ca60a585356e9dcf4c12a6780 [0,2,0,0,0,0|1,0,1]=4 3837 B22R0.38515 C#CCNC(=O)CCCCC=CCCCCCCCCCCC d221314c047a02537d96cb74e3c81d1f [0,2,0,0,0,0|1,0,1]=4 3838 B22R0.38515 C#CCNC(=O)CCCCCCC/C=C/CCCCCCCC 9f6bfff9c42d4b8c531c52de2cdcae64 [0,2,0,0,0,0|1,0,1]=4 3839 B22R0.38515 C#CCNC(=O)CCCCCCC/C=C\CCCCCCCC 0ef397a59aa4ed4f24a6cbf3316db11f [0,2,0,0,0,0|1,0,1]=4 3840 B22R0.38515 C#CCNC(=O)CCCCCCCC#CCCCCCCCC 1a6e9e6ee4baed33eebf857abb212709 [0,2,0,0,0,0|1,0,1]=4 3841 B22R0.38515 C#CCNC(=O)CCCCCCCC=CCCCCCCCC 22d3967255b2ba5240a5c3079928c46a [0,2,0,0,0,0|1,0,1]=4 3842 B22R0.38515 C#CCNC(=O)CCCCCCCCC/C=C/CCCCCC 786796d14295ff32620c840b76ad996e [0,2,0,0,0,0|1,0,1]=4 3843 B22R0.38515 C#CCNC(=O)CCCCCCCCC/C=C\CCCCCC 14c010d61bf69d1b08082891081d5c7a [0,2,0,0,0,0|1,0,1]=4 3844 B22R0.38515 C#CCNC(=O)CCCCCCCCCC=CCCCCCC 4d1fb10689e5853f429ce35e9f023124 [0,2,0,0,0,0|1,0,1]=4 3845 B22R0.38515 C#CCNC(=O)CCCCCCCCCCC/C=C\CCCC 33d8c94867132097551906c735edeb7d [0,2,0,0,0,0|1,0,1]=4 3846 B22R0.38515 C#CCNC(=O)CCCCCCCCCCCCCCCCC 5e60cbe0a13358b6e8a5333a8ca41f0f [0,2,0,0,0,0|1,0,1]=4 3847 B22R0.38515 C#CCNC(=O)CCCCCCCCCCCCCCCCO cc8ff44e65f9d3a5c95e6f44d4ac65f4 [0,2,0,0,0,0|1,0,1]=4 3848 B22R0.38515 C#CCNC(=O)CCCCCCCCCCCCCCCOC 24d8a179ee2d0ff7ea3121da81267e8d [0,2,0,0,0,0|1,0,1]=4 3849 B22R0.38515 C#CCNC(=O)CCCCCCCSCCCCCCCCC e93fed96d300e74c4d3ada5b32a753de [0,2,0,0,0,0|1,0,1]=4 3850 B22R0.38515 C#CCNC(=O)CNCCCCCCCCCCCCCCC e8f590e9ae7ae28b3804524930f41728 [0,2,0,0,0,0|1,0,1]=4 3851 B22R0.38515 C#CCNC(=O)COCCCCCCCCCCCCCCC b98d6fe631295c6f9a9be663082fa652 [0,2,0,0,0,0|1,0,1]=4 3852 B22R0.38515 C#CCNC(=O)COCCOCCCCCCCCCCCC 28ebef61e738e2a376328c1a754f064b [0,2,0,0,0,0|1,0,1]=4 3853 B22R0.38515 C#CCNC(=O)COCCSCCCCCCCCCCCC fcc04905187740b9273bc42a886210a9 [0,2,0,0,0,0|1,0,1]=4 3854 B22R0.38515 C#CCNC(=O)NCCCCCCCCCCCCCCCC 52a3876768ba49ab09b90d6ced436400 [0,2,0,0,0,0|1,0,1]=4 3855 B22R0.38515 C#CCNC(=O)NCCCCCCCCCCCCCCCO 0386b521a06b83bde9d9c17bf4fea1a7 [0,2,0,0,0,0|1,0,1]=4 3856 B22R0.38515 C#CCNC(=O)NCCCOCCCCCCCCCCCC ba37525a17a793be0859364f67398987 [0,2,0,0,0,0|1,0,1]=4 3857 B22R0.38515 C=CCCCCCCCCCCCCCNCC(=O)NCCC 5968bff659dc379a2ec9771ef966a5db [0,2,0,0,0,0|1,0,1]=4 3858 B22R0.38515 C=CCCCCCCCCCCCCCNCC(=O)NCCO 76e3822fff708f52c673a41accffe76f [0,2,0,0,0,0|0,0,1]=3 3859 B22R0.38515 C=CCCCCCCCCCCCCCOCC(=O)NCCC e9bec4a47477deeb4c321b9cde74e1d0 [0,2,0,0,0,0|1,0,1]=4 3860 B22R0.38515 C=CCCCCCCCCCCCOCCCC(=O)NCCC e2d1e0a59a61f127e34fe6ae66c22066 [0,2,0,0,0,0|1,0,1]=4 3861 B22R0.38515 C=CCNC(=O)CCNCCCCCCCCCCCCCC 84f6ea5e742aee7cfb6b0401673053aa [0,2,0,0,0,0|1,0,1]=4 3862 B22R0.38515 C=CCNC(=O)CCNCCCCCCCCCCCCCO 67a308c489519f19ddeee57b79c5d9af [0,2,0,0,0,0|1,0,1]=4 3863 B22R0.38515 C=CCNC(=O)CCOCCCCCCCCCCCCCC 410cc97e3fe0ce283f2af983b50a920d [0,2,0,0,0,0|1,0,1]=4 3864 B22R0.38515 C=CCNC(=O)CCOCCOCCCCCCCCCCC 541dcc348cd2090aacb505036f670d91 [0,2,0,0,0,0|1,0,1]=4 3865 B22R0.38515 C=CCNC(=O)CNCCCCCCCCCCCCCCC 5d69ddb4ab489536c7b7603868424fc8 [0,2,0,0,0,0|1,0,1]=4 3866 B22R0.38515 C=CCNC(=O)COCCCCCCCCCCCCCCC d9797d6829a774eddb9ee9afdf2f16b0 [0,2,0,0,0,0|1,0,1]=4 3867 B22R0.38515 C=CCNC(=O)COCCOCCCCCCCCCCCC f061464680af828fbaa5776cccf89d71 [0,2,0,0,0,0|1,0,1]=4 3868 B22R0.38515 C=CCNC(=O)COCCSCCCCCCCCCCCC fa9925d7680929d9000c1943f85ad755 [0,2,0,0,0,0|1,0,1]=4 3869 B22R0.38515 CCCC/C=C\CCCCCCCCCCCC(=O)NCC#N 9bf88e36cce6456defa03279b772b38d [0,2,0,0,0,0|1,0,1]=4 3870 B22R0.38515 CCCC/C=C\CCCCCCCCCCCC(=O)NCCO 023f08a543ed603e339c4a40e2465f30 [0,2,0,0,0,0|0,0,0]=2 3871 B22R0.38515 CCCCC(=O)NCCCCCCCCCCCCCCCO ea2a0179ed7756d41ce8e21ed0cda6b5 [0,2,0,0,0,0|2,0,0]=4 3872 B22R0.38515 CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCCO 082cf4e1a58ab166588ff0d45378468f [0,2,0,0,0,0|0,0,2]=4 3873 B22R0.38515 CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO 3433ee0b52dcfa3afe427e5dccc83494 [0,2,0,0,0,0|0,0,2]=4 3874 B22R0.38515 CCCCC/C=C\C=C\CCCCCCCCC(=O)NCCO c68d9a2672f78c7aaf57a161584a70dd [0,2,0,0,0,0|0,0,2]=4 3875 B22R0.38515 CCCCCC/C=C/C=C\CCCCCCCC(=O)NCCO 9938debef59a23edf1d273f185128b0c [0,2,0,0,0,0|0,0,2]=4 3876 B22R0.38515 CCCCCC/C=C/CCCCCCCCCC(=O)NCC#N 6a60390c357ef0d326df58e0ef425264 [0,2,0,0,0,0|1,0,1]=4 3877 B22R0.38515 CCCCCC/C=C/CCCCCCCCCC(=O)NCCO b84e5e9f65595bf438d69d8ab7b23dff [0,2,0,0,0,0|0,0,0]=2 3878 B22R0.38515 CCCCCC/C=C\CCCCCCCCCC(=O)NCC#N 5248fcf131f2a4d7057430b1c3ca0c8b [0,2,0,0,0,0|1,0,1]=4 3879 B22R0.38515 CCCCCC/C=C\CCCCCCCCCC(=O)NCCO c7dcfdb2cba9b734b7cf1b0d8cd95858 [0,2,0,0,0,0|0,0,0]=2 3880 B22R0.38515 CCCCCC=CC=CCCCCCCCCC(=O)NCCO d13176139de92d8ed624fed4735738b2 [0,2,0,0,0,0|0,0,2]=4 3881 B22R0.38515 CCCCCC=CCC=CCCCCCCCC(=O)NCCO b1940a590308191868dbbecf8665764b [0,2,0,0,0,0|0,0,2]=4 3882 B22R0.38515 CCCCCCC=CCCCCCCCCCC(=O)NCC#N 8fccb8c57c51e7c050c82608373e4f9d [0,2,0,0,0,0|1,0,1]=4 3883 B22R0.38515 CCCCCCC=CCCCCCCCCCC(=O)NCCO 72aff2010985da6064e292a2b37216ed [0,2,0,0,0,0|0,0,0]=2 3884 B22R0.38515 CCCCCCCC/C=C/CCCCCCCC(=O)NCC#N 067e4788d43a6fcf2a0afcf853826843 [0,2,0,0,0,0|1,0,1]=4 3885 B22R0.38515 CCCCCCCC/C=C/CCCCCCCC(=O)NCCO 5e1491b61a57d048dbf98dd2c5936b52 [0,2,0,0,0,0|0,0,0]=2 3886 B22R0.38515 CCCCCCCC/C=C\CCCCCCCC(=O)NCC#N bb7d7c1910c9cc67ab012d653a5a40e2 [0,2,0,0,0,0|1,0,1]=4 3887 B22R0.38515 CCCCCCCC/C=C\CCCCCCCC(=O)NCCO cb7608a49fc8f95279fdef884df0a0ab [0,2,0,0,0,0|0,0,0]=2 3888 B22R0.38515 CCCCCCCCC#CCCCCCCCC(=O)NCC#N ca750b890c8fcbfd080f9e1fab6d2544 [0,2,0,0,0,0|1,0,1]=4 3889 B22R0.38515 CCCCCCCCC#CCCCCCCCC(=O)NCCBr a8f9e3f6a9e55760589bc46dea4842f0 [0,2,0,0,0,0|1,0,0]=3 3890 B22R0.38515 CCCCCCCCC#CCCCCCCCC(=O)NCCC e8fe85d0eb01a85fd3a426beb8a8e349 [0,2,0,0,0,0|1,0,0]=3 3891 B22R0.38515 CCCCCCCCC#CCCCCCCCC(=O)NCCF 5a5b0b3dc332b177e93cb4df38906fb0 [0,2,0,0,0,0|1,0,0]=3 3892 B22R0.38515 CCCCCCCCC#CCCCCCCCC(=O)NCCO 2b48531dbf8c52374e2c17cb34a1fff9 [0,2,0,0,0,0|0,0,0]=2 3893 B22R0.38515 CCCCCCCCC#CCCCCCCCC(=O)NCCS 4aa93d952940ccccd9f7fcf87f7847cd [0,2,0,0,0,0|0,1,0]=3 3894 B22R0.38515 CCCCCCCCC=CCCCCCCCC(=O)NCC#N e3816ea67a5157ee78a48034cadf647e [0,2,0,0,0,0|1,0,1]=4 3895 B22R0.38515 CCCCCCCCC=CCCCCCCCC(=O)NCCO 9be3bd874923ba6a97b48bf1026bc8dd [0,2,0,0,0,0|0,0,0]=2 3896 B22R0.38515 CCCCCCCCCC/C=C/COCCCC(=O)NCCC 4efb484f0c7acb2f21df4e3562df9edf [0,2,0,0,0,0|1,0,1]=4 3897 B22R0.38515 CCCCCCCCCCC#CCOCCCC(=O)NCCC 9845f6e955797eb165e8448bc1a0220e [0,2,0,0,0,0|1,0,1]=4 3898 B22R0.38515 CCCCCCCCCCC/C=C\CCCCC(=O)NCC#N f866c42a3bf103524e73e85a8c75b00e [0,2,0,0,0,0|1,0,1]=4 3899 B22R0.38515 CCCCCCCCCCC/C=C\CCCCC(=O)NCCO 51e67d086cf5f2acfa07233a8ea2c588 [0,2,0,0,0,0|0,0,0]=2 3900 B22R0.38515 CCCCCCCCCCCC=CCCCCC(=O)NCC#N e21c5f7d0fc23c9f9ebb01651819dd9b [0,2,0,0,0,0|1,0,1]=4 3901 B22R0.38515 CCCCCCCCCCCC=CCCCCC(=O)NCCO b8ed14ef8da614cc215cf54239af9f06 [0,2,0,0,0,0|0,0,0]=2 3902 B22R0.38515 CCCCCCCCCCCCCCC/C=C/C(=O)NCC#N cd2583647ec293aeedfefeb91e4491de [0,2,0,0,0,0|1,0,1]=4 3903 B22R0.38515 CCCCCCCCCCCCCCC/C=C/C(=O)NCCO 9af82a4e9189c95d11aa9d9e785360cd [0,2,0,0,0,0|0,0,0]=2 3904 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)NCC#N c653b1171f046b69465021b825d60408 [0,2,0,0,0,0|1,0,1]=4 3905 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)NCCO b1f43eadf2452795622235310e765f39 [0,2,0,0,0,0|0,0,0]=2 3906 B22R0.38515 CCCCCCCCCCCCCCCCNC(=O)/C=C/CO ca2e8d070de16773993151468c9bee0a [0,2,0,0,0,0|1,0,1]=4 3907 B22R0.38515 CCCCCCCCCCCCCCCCNC(=O)C#CCO dbf4ebb12146e9eccecbd82edf82fe2e [0,2,0,0,0,0|1,0,1]=4 3908 B22R0.38515 CCCCCCCCCCCCCCCCNC(=O)C=CCO 80c0091c102c0fb4db7cb57fd4ac5fc3 [0,2,0,0,0,0|1,0,1]=4 3909 B22R0.38515 CCCCCCCCCCCCCCCCNC(=O)NCC#N 6db667fa690f89b024e087ae72f2a82c [0,2,0,0,0,0|1,0,1]=4 3910 B22R0.38515 CCCCCCCCCCCCCCCCNC(=O)NCCF 83b93cdc16bd65a1beda7ea8912990a1 [0,2,0,0,0,0|1,0,0]=3 3911 B22R0.38515 CCCCCCCCCCCCCCCCNC(=O)NCCN e7dd69c0c64801ae5b079357e23aa4b1 [0,2,0,0,0,0|1,0,0]=3 3912 B22R0.38515 CCCCCCCCCCCCCCCCNC(=O)NCCO 66a3a35ffc3008abb80968454982baa7 [0,2,0,0,0,0|0,0,0]=2 3913 B22R0.38515 CCCCCCCCCCCCCCCCNC(=O)NCCS cf69d22eb6dfaaab69f8337987fabcf8 [0,2,0,0,0,0|0,1,0]=3 3914 B22R0.38515 CCCCCCCCCCCCCCCCNC(=S)NCCF 6af7b404661dfae5fc9eec48ec610c64 [0,2,0,0,0,0|1,1,0]=4 3915 B22R0.38515 CCCCCCCCCCCCCCCCNC(=S)NCCN adcec009d7e1412ad06849a16d16b97e [0,2,0,0,0,0|1,1,0]=4 3916 B22R0.38515 CCCCCCCCCCCCCCCCNC(=S)NCCO fc44f28c97fb5a0201d0583c4b16ccea [0,2,0,0,0,0|0,1,0]=3 3917 B22R0.38515 CCCCCCCCCCCCCCCCNC(=S)NCCS 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1e72bf4376348cb045ec545daaef9e7a [0,2,0,0,0,0|1,0,0]=3 3928 B22R0.38515 CCCCCCCCCCCCOCCCNC(=O)/C=C/CO 8781d2e390e51577a5b7f3dc63030c37 [0,2,0,0,0,0|1,0,1]=4 3929 B22R0.38515 CCCCCCCCCCCCOCCCNC(=O)C#CCO 1b1ef1ab1a82afd43230a24cef2689c1 [0,2,0,0,0,0|1,0,1]=4 3930 B22R0.38515 CCCCCCCCCCCCOCCCNC(=O)C=CCO 8cc6ff114c549c9bd581532c1d67e625 [0,2,0,0,0,0|1,0,1]=4 3931 B22R0.38515 CCCCCCCCCCCCOCCCNC(=O)CCCC d70809da400473475e1087d12aaa1be1 [0,2,0,0,0,0|2,0,0]=4 3932 B22R0.38515 CCCCCCCCCCCCOCCCNC(=O)CCCF 0439ff69f6926df16c29f5250e00822b [0,2,0,0,0,0|2,0,0]=4 3933 B22R0.38515 CCCCCCCCCCCCOCCCNC(=O)CCCS 1a874d1403709122d8e6c12e4b934377 [0,2,0,0,0,0|1,1,0]=4 3934 B22R0.38515 CCCCCCCCCCCCOCCCNC(=O)NCC#N 9986c062e1381d9ad33d8892290c4cd1 [0,2,0,0,0,0|1,0,1]=4 3935 B22R0.38515 CCCCCCCCCCCCOCCCNC(=O)NCCC 422742c5566c77a9c14796a11c360f26 [0,2,0,0,0,0|1,0,0]=3 3936 B22R0.38515 CCCCCCCCCCCCOCCCNC(=O)NCCF b2e04a5032dec83219852e644028da34 [0,2,0,0,0,0|1,0,0]=3 3937 B22R0.38515 CCCCCCCCCCCCOCCCNC(=O)NCCN 597f663197bf1823937e7b7a9c3c3932 [0,2,0,0,0,0|1,0,0]=3 3938 B22R0.38515 CCCCCCCCCCCCOCCCNC(=O)NCCO 31efad219ee6b30bc987f34c63713784 [0,2,0,0,0,0|0,0,0]=2 3939 B22R0.38515 CCCCCCCCCCCCOCCCNC(=O)NCCS deef01edf5594199de521dfd345600e3 [0,2,0,0,0,0|0,1,0]=3 3940 B22R0.38515 CCCCCCCCCCCCOCCCNC(=S)NCCC 8969d4f719d2babdf1b73557bea77d85 [0,2,0,0,0,0|1,1,0]=4 3941 B22R0.38515 CCCCCCCCCCCCOCCCNC(=S)NCCF 99840b62e11b20df9ef51006cc3d6a16 [0,2,0,0,0,0|1,1,0]=4 3942 B22R0.38515 CCCCCCCCCCCCOCCCNC(=S)NCCN 650b46634a62e08c62a976d94ac92b09 [0,2,0,0,0,0|1,1,0]=4 3943 B22R0.38515 CCCCCCCCCCCCOCCCNC(=S)NCCO 2915cbebc620e8ee6f8d76bc45f5138c [0,2,0,0,0,0|0,1,0]=3 3944 B22R0.38515 CCCCCCCCCCCCOCCCNC(=S)NCCS a98f66df4face98d8c67e91908667b97 [0,2,0,0,0,0|0,2,0]=4 3945 B22R0.38515 CCCCCCCCCCCCOCCOCC(=O)NCC#N 26c6557873a40dddc4bcd2e20c5e7a61 [0,2,0,0,0,0|1,0,1]=4 3946 B22R0.38515 CCCCCCCCCCCCOCCOCC(=O)NCCC 7f6354a0a22ffdcf7f1f5427b1499e51 [0,2,0,0,0,0|1,0,0]=3 3947 B22R0.38515 CCCCCCCCCCCCOCCOCC(=O)OCCC dd8f6df5eecfa2484bec1055a89ea1d7 [0,2,0,0,0,0|2,0,0]=4 3948 B22R0.38515 CCCCCCCCCCCCSCCOCC(=O)NCC#N f0a200214a6d20d4ede03c96c052f17c [0,2,0,0,0,0|1,0,1]=4 3949 B22R0.38515 CCCCCCCCCCCCSCCOCC(=O)NCCC 470af7693bb09c563901a51545066a4d [0,2,0,0,0,0|1,0,0]=3 3950 B22R0.38515 CCCCCCCCCCCCSCCOCC(=O)OCCC ed06859841fa4009d37c0942c6cb2dc3 [0,2,0,0,0,0|2,0,0]=4 3951 B22R0.38515 CCCCCCCCCCOCCOCCCC(=O)NCCC c0df774691739169053d3e39c7d63c60 [0,2,0,0,0,0|1,0,0]=3 3952 B22R0.38515 CCCCCCCCCCSCCOCCCC(=O)NCCC dd05c093e7a480bd0f06a8df76fbb5ed [0,2,0,0,0,0|1,0,0]=3 3953 B22R0.38515 CCCCCCCCCSCCCCCCCC(=O)NCC#N 56ead5359e4626b623cacdefcee77855 [0,2,0,0,0,0|1,0,1]=4 3954 B22R0.38515 CCCCCCCCCSCCCCCCCC(=O)NCCF 3977f1ab7b435791089f526d4e0bb3a5 [0,2,0,0,0,0|1,0,0]=3 3955 B22R0.38515 CCCCCCCCCSCCCCCCCC(=O)NCCO db6d0a3ad17a74d1feb7d9ff98c751a6 [0,2,0,0,0,0|0,0,0]=2 3956 B22R0.38515 CCCCCCCCCSCCCCCCCC(=O)NCCS b558445de018cad4385631d1c9e6ee9d [0,2,0,0,0,0|0,1,0]=3 3957 B22R0.38515 CCCNC(=O)CCCCCCCCCCCCCCCCO a4678c3217a249ad1d45e0a038637434 [0,2,0,0,0,0|1,0,0]=3 3958 B22R0.38515 CCCNC(=O)CCCCCCCCCCCCCCCOC 3763e3be413e02235d4586aa4e0ddfdd [0,2,0,0,0,0|1,0,0]=3 3959 B22R0.38515 CCCNC(=O)CCCNCCCCCCCCCCCCO 7fdd15e5966264faf1c1e8de93a4c1ef [0,2,0,0,0,0|1,0,0]=3 3960 B22R0.38515 CCCNC(=O)CNCCCCCCCCCCCCCCO bf7e3a830c23bca26df847eaf1a4e79b [0,2,0,0,0,0|1,0,0]=3 3961 B22R0.38515 CCCNC(=O)NCCCCCCCCCCCCCCCO e4c4abf8057247467d5a0d31c38e9cca [0,2,0,0,0,0|1,0,0]=3 3962 B22R0.38515 CCCNC(=S)NCCCCCCCCCCCCCCCO 69df2b1e17206bc89b60f77f11a020ff [0,2,0,0,0,0|1,1,0]=4 3963 B22R0.38515 COCCCCCCCCCCCCCCCC(=O)NCC#N 7f3398ca3a51a4c3dc2789c36803b1b5 [0,2,0,0,0,0|1,0,1]=4 3964 B22R0.38515 COCCCCCCCCCCCCCCCC(=O)NCCBr 793a01cb56df621f545ea25ac0aaef9b [0,2,0,0,0,0|1,0,0]=3 3965 B22R0.38515 COCCCCCCCCCCCCCCCC(=O)NCCF a822a0316d3340986f7cb145271782a5 [0,2,0,0,0,0|1,0,0]=3 3966 B22R0.38515 COCCCCCCCCCCCCCCCC(=O)NCCI 9b2604fcacc8529fb8ed256efe86c56f [0,2,0,0,0,0|1,0,0]=3 3967 B22R0.38515 COCCCCCCCCCCCCCCCC(=O)NCCO 32d4141772236948cd2b93851c6ec8d4 [0,2,0,0,0,0|0,0,0]=2 3968 B22R0.38515 COCCCCCCCCCCCCCCCC(=O)NCCS 7eb0091773273c492640e9728419ced6 [0,2,0,0,0,0|0,1,0]=3 3969 B22R0.38515 N#CCNC(=O)CCCCCCCCCCCCCCCCO d92cb83c0497ecc5afd8d87a07d85090 [0,2,0,0,0,0|1,0,1]=4 3970 B22R0.38515 N#CCNC(=O)NCCCCCCCCCCCCCCCO a6789561a987bae1aad209ea0c5f4db2 [0,2,0,0,0,0|1,0,1]=4 3971 B22R0.38515 NCCNC(=O)NCCCCCCCCCCCCCCCO abe8f59e16e8079a009c8b4166b74af6 [0,2,0,0,0,0|1,0,0]=3 3972 B22R0.38515 NCCNC(=S)NCCCCCCCCCCCCCCCO 6c543b2e08189148ea131f66a3f22922 [0,2,0,0,0,0|1,1,0]=4 3973 B22R0.38515 O=C(/C=C/CO)NCCCCCCCCCCCCCCCO c10eea37977740c8df42f1a3ef29ea4b [0,2,0,0,0,0|1,0,1]=4 3974 B22R0.38515 O=C(C#CCO)NCCCCCCCCCCCCCCCO a77b8e2c8dbb3370a787cc40c3272691 [0,2,0,0,0,0|1,0,1]=4 3975 B22R0.38515 O=C(C=CCO)NCCCCCCCCCCCCCCCO 2f143ae37c36aeb53bf7ace3c6d66877 [0,2,0,0,0,0|1,0,1]=4 3976 B22R0.38515 O=C(CCCCCCCCCCCCCCCCO)NCCBr 0559768136ff840a3b3491c191671974 [0,2,0,0,0,0|1,0,0]=3 3977 B22R0.38515 O=C(CCCCCCCCCCCCCCCCO)NCCF baefd7d3faee27962d1488b459734977 [0,2,0,0,0,0|1,0,0]=3 3978 B22R0.38515 O=C(CCCCCCCCCCCCCCCCO)NCCI baec4b4f4e5d100c11b3e2d9a085291a [0,2,0,0,0,0|1,0,0]=3 3979 B22R0.38515 O=C(CCCCCCCCCCCCCCCCO)NCCO 88363afda292db26a0b92662919f8bea [0,2,0,0,0,0|0,0,0]=2 3980 B22R0.38515 O=C(CCCCCCCCCCCCCCCCO)NCCS b1701eb8de50b0ccc9c8a6a4d8bdc6da [0,2,0,0,0,0|0,1,0]=3 3981 B22R0.38515 O=C(CCCF)NCCCCCCCCCCCCCCCO ddde3d7503ecc675c6fb5bde2d418178 [0,2,0,0,0,0|2,0,0]=4 3982 B22R0.38515 O=C(CCCS)NCCCCCCCCCCCCCCCO 1782c1fc79c10aac084926dd2d104c28 [0,2,0,0,0,0|1,1,0]=4 3983 B22R0.38515 O=C(CNCCCCCCCCCCCCCCO)NCCO b02857277467a87a23af5adf1aa93081 [0,2,0,0,0,0|0,0,0]=2 3984 B22R0.38515 O=C(NCCF)NCCCCCCCCCCCCCCCO 3022a5c9fce3132bdfd501a2487e2f0f [0,2,0,0,0,0|1,0,0]=3 3985 B22R0.38515 O=C(NCCO)NCCCCCCCCCCCCCCCO 78ae2448cc3b53327d6a1a2b5eff8d7e [0,2,0,0,0,0|0,0,0]=2 3986 B22R0.38515 O=C(NCCS)NCCCCCCCCCCCCCCCO 6b291755877f78cd9072bbc2cea2108b [0,2,0,0,0,0|0,1,0]=3 3987 B22R0.38515 OCCCCCCCCCCCCCCCNC(=S)NCCF 46401801543cfb1670af2af2ed5c5f0f [0,2,0,0,0,0|1,1,0]=4 3988 B22R0.38515 OCCCCCCCCCCCCCCCNC(=S)NCCO 92dd7d87340703d30642a68d9516711b [0,2,0,0,0,0|0,1,0]=3 3989 B22R0.38515 OCCCCCCCCCCCCCCCNC(=S)NCCS f115ba6131a0d6d57851bff6dce05f57 [0,2,0,0,0,0|0,2,0]=4 3990 B22R0.395030 C#CCNC(=O)CCCCCCC(=O)CCCCCCCCC e7fad9d892c809e0781462b7e57756de [0,2,0,0,0,0|1,0,1]=4 3991 B22R0.395030 C#CCNC(=O)CCCCCCC(O)CCCCCCCCC 9566721b23eef1eca18e0439e232de3c [0,2,0,0,0,0|1,0,1]=4 3992 B22R0.395030 CCCCCCCCCC(=O)CCCCCCC(=O)NCC#N 99977c373a61f9061e5ba2c161d6ad6b [0,2,0,0,0,0|1,0,1]=4 3993 B22R0.395030 CCCCCCCCCC(=O)CCCCCCC(=O)NCCBr 219946f0689d68155d5545277d62783e [0,2,0,0,0,0|1,0,0]=3 3994 B22R0.395030 CCCCCCCCCC(=O)CCCCCCC(=O)NCCC 4253e24973c20d6f85b8becf4b7ea70e [0,2,0,0,0,0|1,0,0]=3 3995 B22R0.395030 CCCCCCCCCC(=O)CCCCCCC(=O)NCCF 69d26f03bf57b254a32f96b1c00a4a5d [0,2,0,0,0,0|1,0,0]=3 3996 B22R0.395030 CCCCCCCCCC(=O)CCCCCCC(=O)NCCI 71869fe88dd7df6b7cbb24d386bc7863 [0,2,0,0,0,0|1,0,0]=3 3997 B22R0.395030 CCCCCCCCCC(=O)CCCCCCC(=O)NCCO 9a709190aea41b6f7f2732e7a2bcd68a [0,2,0,0,0,0|0,0,0]=2 3998 B22R0.395030 CCCCCCCCCC(=O)CCCCCCC(=O)NCCS e2be401654a53d5306a20b363fa8e1b2 [0,2,0,0,0,0|0,1,0]=3 3999 B22R0.395030 CCCCCCCCCC(O)CCCCCCC(=O)NCC#N 80220efe347a4384257531e12603d069 [0,2,0,0,0,0|1,0,1]=4 4000 B22R0.395030 CCCCCCCCCC(O)CCCCCCC(=O)NCCBr 77045a596e218c54b6f41c2012841f0f [0,2,0,0,0,0|1,0,0]=3 4001 B22R0.395030 CCCCCCCCCC(O)CCCCCCC(=O)NCCC 02b582aff94b81dff6c75f466ab5abb0 [0,2,0,0,0,0|1,0,0]=3 4002 B22R0.395030 CCCCCCCCCC(O)CCCCCCC(=O)NCCF daaf5f7a54807a3c10cad192acae1d5d [0,2,0,0,0,0|1,0,0]=3 4003 B22R0.395030 CCCCCCCCCC(O)CCCCCCC(=O)NCCI 63818e1b25b21c4a9d35aa38674f720a [0,2,0,0,0,0|1,0,0]=3 4004 B22R0.395030 CCCCCCCCCC(O)CCCCCCC(=O)NCCO e17ab1270364d0908421745cd2c0fe83 [0,2,0,0,0,0|0,0,0]=2 4005 B22R0.395030 CCCCCCCCCC(O)CCCCCCC(=O)NCCS b496812fe4bcebe5cdc854be5dea07c3 [0,2,0,0,0,0|0,1,0]=3 4006 B22R0.678623 CCCCCCCCCCCC(C)OCCCC(=O)NCCC 0f570856943168b712d941fae9b6bb45 [0,2,0,0,0,0|1,0,0]=3 4007 B22R0.678623 CCCCCCCCCCNC(=O)CCCCC(=O)OCCO 83c2cc602ecc1e128101814e7a97b929 [0,2,0,0,0,0|1,0,1]=4 4008 B22R0.10886 C#CC(C)NC(=O)CCC(O)CCCCCCCCCCCC 70d801a2109cf9686b6cb93a06e51a0b [0,2,0,0,0,0|1,0,1]=4 4009 B22R0.10886 C#C[C@@H](C)NC(=O)CCC(O)CCCCCCCCCCCC 2b8ee2a5ac16c64eae8c953bdd5c85ac [0,2,0,0,0,0|1,0,1]=4 4010 B22R0.10886 C#C[C@H](C)NC(=O)CCC(O)CCCCCCCCCCCC 682b3eb9d1fc8ceffb35579a65eabdbd [0,2,0,0,0,0|1,0,1]=4 4011 B22R0.10886 C=CC(C)NC(=O)CCC(O)CCCCCCCCCCCC eebbd43a5762b6c9f078c7db3b397fa0 [0,2,0,0,0,0|1,0,1]=4 4012 B22R0.10886 CCCCCCCCCCCCC(=O)CCC(=O)NC(C)CC a29324fda8e4e51f40ff3b10ad52b5b0 [0,2,0,0,0,0|1,0,1]=4 4013 B22R0.10886 CCCCCCCCCCCCC(=O)CCC(=O)NC(C)CO 97cf24fd3ee568d524945085e70e1d03 [0,2,0,0,0,0|0,0,1]=3 4014 B22R0.10886 CCCCCCCCCCCCC(=O)CCC(=O)N[C@@H](C)CC f710e79a3e909b92d2c7eb46c394f8fd [0,2,0,0,0,0|1,0,1]=4 4015 B22R0.10886 CCCCCCCCCCCCC(=O)CCC(=O)N[C@@H](C)CO d41eb35697472752894999655a8da6fd [0,2,0,0,0,0|0,0,1]=3 4016 B22R0.10886 CCCCCCCCCCCCC(=O)CCC(=O)N[C@H](C)CC b41b2b10aa71eef4795ce29552f4ab03 [0,2,0,0,0,0|1,0,1]=4 4017 B22R0.10886 CCCCCCCCCCCCC(=O)CCC(=O)N[C@H](C)CO a12081c90cd147bd74125d44b2321ffb [0,2,0,0,0,0|0,0,1]=3 4018 B22R0.10886 CCCCCCCCCCCCC(C)OCC(=O)NC(C)CC e34110e07c7b1148a92e633663080600 [0,2,0,0,0,0|2,0,0]=4 4019 B22R0.10886 CCCCCCCCCCCCC(O)CCC(=O)NC(C)C#N 68255922963fcf5836f4eaa17da022a0 [0,2,0,0,0,0|1,0,1]=4 4020 B22R0.10886 CCCCCCCCCCCCC(O)CCC(=O)NC(C)CC 0e237789a1c11c297d5b606e132f478b [0,2,0,0,0,0|1,0,0]=3 4021 B22R0.10886 CCCCCCCCCCCCC(O)CCC(=O)NC(C)CO ee15836b5d51511167366e8803564310 [0,2,0,0,0,0|0,0,0]=2 4022 B22R0.10886 CCCCCCCCCCCCC(O)CCC(=O)N[C@@H](C)CC 1ffbaba696359389290060a75a36feb9 [0,2,0,0,0,0|1,0,0]=3 4023 B22R0.10886 CCCCCCCCCCCCC(O)CCC(=O)N[C@@H](C)CO 1485de8eea353233729cc61177792c88 [0,2,0,0,0,0|0,0,0]=2 4024 B22R0.10886 CCCCCCCCCCCCC(O)CCC(=O)N[C@H](C)CC 5d077040a7c6e2f3a0b05363eb1e0cb4 [0,2,0,0,0,0|1,0,0]=3 4025 B22R0.10886 CCCCCCCCCCCCC(O)CCC(=O)N[C@H](C)CO 377e5d60c56f12eb4d064a5488fe9251 [0,2,0,0,0,0|0,0,0]=2 4026 B22R0.10887 C#CCN(C)C(=O)CCC(O)CCCCCCCCCCCC 07b78bf3b780e20c053c1545b1e534b0 [0,2,0,0,0,0|1,0,1]=4 4027 B22R0.10887 C=CCN(C)C(=O)CCC(O)CCCCCCCCCCCC 32a8bc9581702c91d5e7dfabe58ea2b8 [0,2,0,0,0,0|1,0,1]=4 4028 B22R0.10887 CCCCCCCCCCCCC(=O)CCC(=O)N(C)CCC f125e94e9deb33edece8933e201348cb [0,2,0,0,0,0|1,0,1]=4 4029 B22R0.10887 CCCCCCCCCCCCC(=O)CCC(=O)N(C)CCF 30f5d9395a4a657b5b9e7383a5bd2b97 [0,2,0,0,0,0|1,0,1]=4 4030 B22R0.10887 CCCCCCCCCCCCC(=O)CCC(=O)N(C)CCO 135825ce982466c96a1d8e0415a418ab [0,2,0,0,0,0|0,0,1]=3 4031 B22R0.10887 CCCCCCCCCCCCC(O)CCC(=O)N(C)CC#N 02ee615b8a15389191c95a9538dc0363 [0,2,0,0,0,0|1,0,1]=4 4032 B22R0.10887 CCCCCCCCCCCCC(O)CCC(=O)N(C)CCC d8e20452f5ccc7121240030c0cdf33df [0,2,0,0,0,0|1,0,0]=3 4033 B22R0.10887 CCCCCCCCCCCCC(O)CCC(=O)N(C)CCF 6f49e802be069393e2e526c9aaf298be [0,2,0,0,0,0|1,0,0]=3 4034 B22R0.10887 CCCCCCCCCCCCC(O)CCC(=O)N(C)CCO 35fa79636d15cb7093cad47ce1999de3 [0,2,0,0,0,0|0,0,0]=2 4035 B22R0.14936 CCCCCCCC(O)CCCCC(=O)NCC(=O)NCCO b25508dfeed8ca560c014812e040f691 [0,2,0,0,0,0|1,0,1]=4 4036 B22R0.16603 CC(C)CCCCCCCCCCC(=O)NCC(=O)NCCO 2942e972d9e30b7e9b962120ca0c849f [0,2,0,0,0,0|1,0,1]=4 4037 B22R0.16603 CC(O)CCCCCCCCCCC(=O)NCC(=O)NCCO 66e04b7650c783b27de409837f354418 [0,2,0,0,0,0|1,0,1]=4 4038 B22R0.22020 CCCCCCC(O)CCCCCC(=O)NCC(=O)NCCO d84948fb3009ca6629279a1e24c2e4b8 [0,2,0,0,0,0|1,0,1]=4 4039 B22R0.27129 CCCCCCCCCCCCC(C)N(C)CC(=O)NCCC d7a439d1d807a03c1eb47c636d6a2046 [0,2,0,0,0,0|2,0,0]=4 4040 B22R0.38390 C=C(Br)CNC(=O)CCC(O)CCCCCCCCCCCC 4c91f51165819d2f6acf9fdd0e2c218f [0,2,0,0,0,0|1,0,1]=4 4041 B22R0.38390 C=C(C)CNC(=O)CCC(O)CCCCCCCCCCCC ea90fc78998201bc63af97fc5e313b71 [0,2,0,0,0,0|1,0,1]=4 4042 B22R0.38390 CCCCCCCCCCCCC(=O)CCC(=O)NCC(C)C 84e5a54558ed8424298d1ea5da6063e9 [0,2,0,0,0,0|1,0,1]=4 4043 B22R0.38390 CCCCCCCCCCCCC(=O)CCC(=O)NCC(C)O 15e1e885b5afeb11222ef862fda1a5d6 [0,2,0,0,0,0|0,0,1]=3 4044 B22R0.38390 CCCCCCCCCCCCC(=O)CCC(=O)NCC(F)F 6d48da7872f27eddaac96c172be79a34 [0,2,0,0,0,0|1,0,1]=4 4045 B22R0.38390 CCCCCCCCCCCCC(=O)CCC(=O)NC[C@@H](C)O 03acc6b410e76f93e24040cfda4778e0 [0,2,0,0,0,0|0,0,1]=3 4046 B22R0.38390 CCCCCCCCCCCCC(=O)CCC(=O)NC[C@H](C)O 9ef98503d9257ac8d6bd31aaa37bc9fa [0,2,0,0,0,0|0,0,1]=3 4047 B22R0.38390 CCCCCCCCCCCCC(C)OCC(=O)NCC(=O)O a4f5b51459f319e470d30d63bafce2cc [0,2,0,0,0,0|1,0,1]=4 4048 B22R0.38390 CCCCCCCCCCCCC(C)OCC(=O)NCC(C)C c63e76dfe4fdcc863be37d2e798f4d83 [0,2,0,0,0,0|2,0,0]=4 4049 B22R0.38390 CCCCCCCCCCCCC(O)CCC(=O)NCC(=O)C d442250c5c44d7932031c6743b658722 [0,2,0,0,0,0|0,0,2]=4 4050 B22R0.38390 CCCCCCCCCCCCC(O)CCC(=O)NCC(=O)N 506868a7e3feaa09befb93994ed20390 [0,2,0,0,0,0|0,0,2]=4 4051 B22R0.38390 CCCCCCCCCCCCC(O)CCC(=O)NCC(C)C bc53b848fbd204e278d1c3bb1ab224db [0,2,0,0,0,0|1,0,0]=3 4052 B22R0.38390 CCCCCCCCCCCCC(O)CCC(=O)NCC(C)O 4bf701f17b5108f8bae35719fe32b3bc [0,2,0,0,0,0|0,0,0]=2 4053 B22R0.38390 CCCCCCCCCCCCC(O)CCC(=O)NCC(F)F e0ca743e74eeb682bbdf08d2d5e77bda [0,2,0,0,0,0|1,0,0]=3 4054 B22R0.38390 CCCCCCCCCCCCC(O)CCC(=O)NC[C@@H](C)O 24132c8fd11af5574c5eea9dad011181 [0,2,0,0,0,0|0,0,0]=2 4055 B22R0.38390 CCCCCCCCCCCCC(O)CCC(=O)NC[C@H](C)O 8d30c22ba5292c22f55c7dcd8cf35e51 [0,2,0,0,0,0|0,0,0]=2 4056 B22R0.472232 CCCCCCCCCCCCC(C)NC(C)C(=O)NCCC 0048b36a2d0c9b5ca7933c5c9492a7e9 [0,2,0,0,0,0|2,0,0]=4 4057 B22R0.472232 CCCCCCCCCCCCC(C)OC(C)C(=O)NCCC ffac3ce5f7504b570276fbb3c6c044d9 [0,2,0,0,0,0|2,0,0]=4 4058 B22R0.714302 CCCCCCCCCCC(O)CC(=O)NCC(=O)NCCO d7bf76687234804c269d0a7609292c99 [0,2,0,0,0,0|1,0,1]=4 4059 B22R0.15366 C#CC(C)NC(=O)CCCCCCCC(O)CCCCCCC 6a1fca53e7ceaa7c1fcb14876af4330e [0,2,0,0,0,0|1,0,1]=4 4060 B22R0.15366 C#C[C@@H](C)NC(=O)CCCCCCCC(O)CCCCCCC 82cff33561455f8d6d435ecdf6cd7d40 [0,2,0,0,0,0|1,0,1]=4 4061 B22R0.15366 C#C[C@H](C)NC(=O)CCCCCCCC(O)CCCCCCC f7c3ff73647b11493fa97e174a5164d0 [0,2,0,0,0,0|1,0,1]=4 4062 B22R0.15366 C=CC(C)NC(=O)CCCCCCCC(O)CCCCCCC 2f3f28a1d44508bab146d83402e89823 [0,2,0,0,0,0|1,0,1]=4 4063 B22R0.15366 CCCCCCCC(O)CCCCCCCC(=O)NC(C)C#N dcbac1a729d2c850b0c1f898b8b6640d [0,2,0,0,0,0|1,0,1]=4 4064 B22R0.15366 CCCCCCCC(O)CCCCCCCC(=O)NC(C)CC c299826658ef9c449797c3bd21d18a4e [0,2,0,0,0,0|1,0,0]=3 4065 B22R0.15366 CCCCCCCC(O)CCCCCCCC(=O)NC(C)CO 2cac2b0215764e941ceb3fa3f7f5b3fb [0,2,0,0,0,0|0,0,0]=2 4066 B22R0.15366 CCCCCCCC(O)CCCCCCCC(=O)N[C@@H](C)CC 198228b9c9b6f143b78dda8d14b9868f [0,2,0,0,0,0|1,0,0]=3 4067 B22R0.15366 CCCCCCCC(O)CCCCCCCC(=O)N[C@@H](C)CO ea6320a15e72c1fb52c111334cfdee5c [0,2,0,0,0,0|0,0,0]=2 4068 B22R0.15366 CCCCCCCC(O)CCCCCCCC(=O)N[C@H](C)CC 7cb8b21ff57bf9fd774f09b7c32a25e3 [0,2,0,0,0,0|1,0,0]=3 4069 B22R0.15366 CCCCCCCC(O)CCCCCCCC(=O)N[C@H](C)CO 5d794d5af3adf196665cd1609a838820 [0,2,0,0,0,0|0,0,0]=2 4070 B22R0.15367 C#CCN(C)C(=O)CCCCCCCC(O)CCCCCCC 3cd925b789210a2e6b14f2c0c6a9b9c2 [0,2,0,0,0,0|1,0,1]=4 4071 B22R0.15367 C=CCN(C)C(=O)CCCCCCCC(O)CCCCCCC 26d1dbafa5ad12ca8e19b388bd649c5a [0,2,0,0,0,0|1,0,1]=4 4072 B22R0.15367 CCCCCCCC(O)CCCCCCCC(=O)N(C)CC#N 1a7e9ab9368b08250664397a01d56966 [0,2,0,0,0,0|1,0,1]=4 4073 B22R0.15367 CCCCCCCC(O)CCCCCCCC(=O)N(C)CCC 8e07d224d68a2059fbfbd3682d5a2480 [0,2,0,0,0,0|1,0,0]=3 4074 B22R0.15367 CCCCCCCC(O)CCCCCCCC(=O)N(C)CCF 3e6028720d866fc36e69e2eb64435888 [0,2,0,0,0,0|1,0,0]=3 4075 B22R0.15367 CCCCCCCC(O)CCCCCCCC(=O)N(C)CCO 3798a8a4a92faf235b0ffcc4e98b997b [0,2,0,0,0,0|0,0,0]=2 4076 B22R0.15949 C=C(Br)CNC(=O)CCCCCCCC(O)CCCCCCC ae8091fef4cc441a7a936b6ac9683de8 [0,2,0,0,0,0|1,0,1]=4 4077 B22R0.15949 C=C(C)CNC(=O)CCCCCCCC(O)CCCCCCC 8dce6cd661542610058569f8fa9b3db4 [0,2,0,0,0,0|1,0,1]=4 4078 B22R0.15949 CCCCCCCC(O)CCCCCCCC(=O)NCC(=O)C 290f0c0e0a0c4648f5b1d0568db97051 [0,2,0,0,0,0|0,0,2]=4 4079 B22R0.15949 CCCCCCCC(O)CCCCCCCC(=O)NCC(=O)N a22169b3f7fe89590aeeaa4d8abface6 [0,2,0,0,0,0|0,0,2]=4 4080 B22R0.15949 CCCCCCCC(O)CCCCCCCC(=O)NCC(C)C 51ff5e03dc264287cdfb7be1881254f4 [0,2,0,0,0,0|1,0,0]=3 4081 B22R0.15949 CCCCCCCC(O)CCCCCCCC(=O)NCC(C)O 3c612578cf6d3a4dde35379e3f74fc4c [0,2,0,0,0,0|0,0,0]=2 4082 B22R0.15949 CCCCCCCC(O)CCCCCCCC(=O)NCC(F)F a0f77cffb217334d6f9c3e203f010206 [0,2,0,0,0,0|1,0,0]=3 4083 B22R0.15949 CCCCCCCC(O)CCCCCCCC(=O)NC[C@@H](C)O 8a15ffcf0003fe8a69d350a90cfab7cb [0,2,0,0,0,0|0,0,0]=2 4084 B22R0.15949 CCCCCCCC(O)CCCCCCCC(=O)NC[C@H](C)O eb45f580cf6f6ad981f7c2ecf4fa7b0f [0,2,0,0,0,0|0,0,0]=2 4085 B22R0.20883 C=C(Br)CNC(=O)CCCCCCCCCCCCC(O)CC 99ee37fb298b2fc9e7e9dd7e11230315 [0,2,0,0,0,0|1,0,1]=4 4086 B22R0.20883 C=C(C)CNC(=O)CCCCCCCCCCCCC(O)CC 227bac265f1f484916df3532dc190a51 [0,2,0,0,0,0|1,0,1]=4 4087 B22R0.20883 CCC(=O)CCCCCCCCCCCCC(=O)NCC(C)C 10130b8a81e893bff01a350579672a0f [0,2,0,0,0,0|1,0,1]=4 4088 B22R0.20883 CCC(=O)CCCCCCCCCCCCC(=O)NCC(C)O 793de35a744cf03f05da7f347707d979 [0,2,0,0,0,0|0,0,1]=3 4089 B22R0.20883 CCC(=O)CCCCCCCCCCCCC(=O)NCC(F)F 4886b915333e4269dd8a4f24faf27766 [0,2,0,0,0,0|1,0,1]=4 4090 B22R0.20883 CCC(=O)CCCCCCCCCCCCC(=O)NC[C@@H](C)O b03e53cf25aad751f1717ade9bbff5d6 [0,2,0,0,0,0|0,0,1]=3 4091 B22R0.20883 CCC(=O)CCCCCCCCCCCCC(=O)NC[C@H](C)O 777fa0a571f4975d298cdc2358edc72d [0,2,0,0,0,0|0,0,1]=3 4092 B22R0.20883 CCC(O)CCCCCCCCCCCCC(=O)NCC(=O)C 4f6cc62d18a6c7a3b6e868c1add92529 [0,2,0,0,0,0|0,0,2]=4 4093 B22R0.20883 CCC(O)CCCCCCCCCCCCC(=O)NCC(=O)N 5c4a00ed4c0b46fabdec3852f8701963 [0,2,0,0,0,0|0,0,2]=4 4094 B22R0.20883 CCC(O)CCCCCCCCCCCCC(=O)NCC(C)C 2fd147201caf695fe9b2b809717cb9c0 [0,2,0,0,0,0|1,0,0]=3 4095 B22R0.20883 CCC(O)CCCCCCCCCCCCC(=O)NCC(C)O dbcde33b899b149d63c0f28b892ac21a [0,2,0,0,0,0|0,0,0]=2 4096 B22R0.20883 CCC(O)CCCCCCCCCCCCC(=O)NCC(F)F 8383710617c8d19a5231cbf7349cc518 [0,2,0,0,0,0|1,0,0]=3 4097 B22R0.20883 CCC(O)CCCCCCCCCCCCC(=O)NC[C@@H](C)O 79829cd00e13bdd89a94feddb3c649bd [0,2,0,0,0,0|0,0,0]=2 4098 B22R0.20883 CCC(O)CCCCCCCCCCCCC(=O)NC[C@H](C)O 679df16d742530f75a9327454d8d8657 [0,2,0,0,0,0|0,0,0]=2 4099 B22R0.20883 COC(=O)CCCCCCCCCCCCC(=O)NCC(C)O 1e778b6472a7d16df3474ccd91d08923 [0,2,0,0,0,0|1,0,1]=4 4100 B22R0.20883 COC(=O)CCCCCCCCCCCCC(=O)NC[C@@H](C)O 1372283eb0ef9edbfd9ee01f6f2cd122 [0,2,0,0,0,0|1,0,1]=4 4101 B22R0.20883 COC(=O)CCCCCCCCCCCCC(=O)NC[C@H](C)O 5b2c762a47066b13ba81c5a3240d19cb [0,2,0,0,0,0|1,0,1]=4 4102 B22R0.21141 C#CC(C)NC(=O)CCCCCCCCCCCCC(O)CC c29473d8c2d2c6b15213d5b3db390d45 [0,2,0,0,0,0|1,0,1]=4 4103 B22R0.21141 C#C[C@@H](C)NC(=O)CCCCCCCCCCCCC(O)CC ba25463e84c8d1ae3ab7e9b3b7ed8c92 [0,2,0,0,0,0|1,0,1]=4 4104 B22R0.21141 C#C[C@H](C)NC(=O)CCCCCCCCCCCCC(O)CC b2e3af626d8e3730fe612f3a39bf5f99 [0,2,0,0,0,0|1,0,1]=4 4105 B22R0.21141 C=CC(C)NC(=O)CCCCCCCCCCCCC(O)CC e0de0219b46ebde20681fbc93491d0c4 [0,2,0,0,0,0|1,0,1]=4 4106 B22R0.21141 CCC(=O)CCCCCCCCCCCCC(=O)NC(C)CC a3441a1a5f02607b99a4c210e8fcb5f8 [0,2,0,0,0,0|1,0,1]=4 4107 B22R0.21141 CCC(=O)CCCCCCCCCCCCC(=O)NC(C)CO 787896bc55e0f5941df56e1b6d63b0cf [0,2,0,0,0,0|0,0,1]=3 4108 B22R0.21141 CCC(=O)CCCCCCCCCCCCC(=O)N[C@@H](C)CC 4877a9c0205a15bffbb46cfa302066e3 [0,2,0,0,0,0|1,0,1]=4 4109 B22R0.21141 CCC(=O)CCCCCCCCCCCCC(=O)N[C@@H](C)CO fa1c6a4e90de3dadbe3e660f8938ac72 [0,2,0,0,0,0|0,0,1]=3 4110 B22R0.21141 CCC(=O)CCCCCCCCCCCCC(=O)N[C@H](C)CC b5385ed384914bfa1db1b4b669adcb21 [0,2,0,0,0,0|1,0,1]=4 4111 B22R0.21141 CCC(=O)CCCCCCCCCCCCC(=O)N[C@H](C)CO 25fb0c7340961ee8a046bd2e16765048 [0,2,0,0,0,0|0,0,1]=3 4112 B22R0.21141 CCC(O)CCCCCCCCCCCCC(=O)NC(C)C#N 912a0d9371eb5c80f2515ebdf4258376 [0,2,0,0,0,0|1,0,1]=4 4113 B22R0.21141 CCC(O)CCCCCCCCCCCCC(=O)NC(C)CC 00fddcf5380220f6b18b3d7a75dcdbdf [0,2,0,0,0,0|1,0,0]=3 4114 B22R0.21141 CCC(O)CCCCCCCCCCCCC(=O)NC(C)CO 6075167cf64065b4b0bc4cd3b5f9cbbe [0,2,0,0,0,0|0,0,0]=2 4115 B22R0.21141 CCC(O)CCCCCCCCCCCCC(=O)N[C@@H](C)CC 394f41b7b5d7cc5c5e3d65e5d19e633f [0,2,0,0,0,0|1,0,0]=3 4116 B22R0.21141 CCC(O)CCCCCCCCCCCCC(=O)N[C@@H](C)CO a3a24aeea45da8ce52b713d5707e2f70 [0,2,0,0,0,0|0,0,0]=2 4117 B22R0.21141 CCC(O)CCCCCCCCCCCCC(=O)N[C@H](C)CC f8163225be0184998adc68a65c479a62 [0,2,0,0,0,0|1,0,0]=3 4118 B22R0.21141 CCC(O)CCCCCCCCCCCCC(=O)N[C@H](C)CO cdaa94fcb41d894676f8d8ff02379701 [0,2,0,0,0,0|0,0,0]=2 4119 B22R0.21141 COC(=O)CCCCCCCCCCCCC(=O)NC(C)CO ef2aa38a2a90cc119d5d1985f0c7a048 [0,2,0,0,0,0|1,0,1]=4 4120 B22R0.21141 COC(=O)CCCCCCCCCCCCC(=O)N[C@@H](C)CO dec51c374777e47f3097ecafbfd986ef [0,2,0,0,0,0|1,0,1]=4 4121 B22R0.21141 COC(=O)CCCCCCCCCCCCC(=O)N[C@H](C)CO 812811611f0068d35865a84bcfd14b26 [0,2,0,0,0,0|1,0,1]=4 4122 B22R0.23294 C#CC(C)NC(=O)CCCCCCCCCCC(O)CCCC 2586a0a5de44b1387424a67bf8d6159c [0,2,0,0,0,0|1,0,1]=4 4123 B22R0.23294 C#C[C@@H](C)NC(=O)CCCCCCCCCCC(O)CCCC 1bfd165cb9df558301b5b4f74985704a [0,2,0,0,0,0|1,0,1]=4 4124 B22R0.23294 C#C[C@H](C)NC(=O)CCCCCCCCCCC(O)CCCC 2329b9e856a26c92dce952c1145be00e [0,2,0,0,0,0|1,0,1]=4 4125 B22R0.23294 C=CC(C)NC(=O)CCCCCCCCCCC(O)CCCC b8e024db75cf31cc06b2ebf16fc4fd79 [0,2,0,0,0,0|1,0,1]=4 4126 B22R0.23294 CCCCC(=O)CCCCCCCCCCC(=O)NC(C)CC fd93d751c6fdf84c78c12438591d1251 [0,2,0,0,0,0|1,0,1]=4 4127 B22R0.23294 CCCCC(=O)CCCCCCCCCCC(=O)NC(C)CO 3aff0ee084e565fd55c48fee37f0e1c9 [0,2,0,0,0,0|0,0,1]=3 4128 B22R0.23294 CCCCC(=O)CCCCCCCCCCC(=O)N[C@@H](C)CC 334b42900fdd1d72055d3341bdef826c [0,2,0,0,0,0|1,0,1]=4 4129 B22R0.23294 CCCCC(=O)CCCCCCCCCCC(=O)N[C@@H](C)CO 4282b1ee8785da4d307bf40b357bdc40 [0,2,0,0,0,0|0,0,1]=3 4130 B22R0.23294 CCCCC(=O)CCCCCCCCCCC(=O)N[C@H](C)CC c604297d3c08857a3b58c28e40449a3e [0,2,0,0,0,0|1,0,1]=4 4131 B22R0.23294 CCCCC(=O)CCCCCCCCCCC(=O)N[C@H](C)CO bf380e05e4b028162a7e1e0ad89618b4 [0,2,0,0,0,0|0,0,1]=3 4132 B22R0.23294 CCCCC(O)CCCCCCCCCCC(=O)NC(C)C#N 9ca06c2e26fa3f097086a859c6427946 [0,2,0,0,0,0|1,0,1]=4 4133 B22R0.23294 CCCCC(O)CCCCCCCCCCC(=O)NC(C)CC 455acf8b30603a379781bd01fcc5c05b [0,2,0,0,0,0|1,0,0]=3 4134 B22R0.23294 CCCCC(O)CCCCCCCCCCC(=O)NC(C)CO 8b82a92d16e35b30e16e0de2392f9c2e [0,2,0,0,0,0|0,0,0]=2 4135 B22R0.23294 CCCCC(O)CCCCCCCCCCC(=O)N[C@@H](C)CC 2d44f20d8e15e995b43d9d11b3bf0f2a [0,2,0,0,0,0|1,0,0]=3 4136 B22R0.23294 CCCCC(O)CCCCCCCCCCC(=O)N[C@@H](C)CO 2cc64647dbbd1690b32f35766b71af29 [0,2,0,0,0,0|0,0,0]=2 4137 B22R0.23294 CCCCC(O)CCCCCCCCCCC(=O)N[C@H](C)CC 4b5911f5c0300b0eca7904a82cb87551 [0,2,0,0,0,0|1,0,0]=3 4138 B22R0.23294 CCCCC(O)CCCCCCCCCCC(=O)N[C@H](C)CO 28a1fea719022a407697984876aeac74 [0,2,0,0,0,0|0,0,0]=2 4139 B22R0.32950 C#CCN(C)C(=O)CCCCCCCCCCCCC(O)CC d9f0162c4a455f62c89a5543a3631d6e [0,2,0,0,0,0|1,0,1]=4 4140 B22R0.32950 C=CCN(C)C(=O)CCCCCCCCCCCCC(O)CC bd63e4801ebb50a070962452806b1eb1 [0,2,0,0,0,0|1,0,1]=4 4141 B22R0.32950 CCC(=O)CCCCCCCCCCCCC(=O)N(C)CCF 1a4762ce6a78327743032b5989807db6 [0,2,0,0,0,0|1,0,1]=4 4142 B22R0.32950 CCC(=O)CCCCCCCCCCCCC(=O)N(C)CCO 6ef178bbd96430ce009dc38fe9e15b1f [0,2,0,0,0,0|0,0,1]=3 4143 B22R0.32950 CCC(O)CCCCCCCCCCCCC(=O)N(C)CC#N 295366d475c6616d55c77cf59a2d0798 [0,2,0,0,0,0|1,0,1]=4 4144 B22R0.32950 CCC(O)CCCCCCCCCCCCC(=O)N(C)CCF 63cefcf33f5d0f66cf29ad1fdd6b8b97 [0,2,0,0,0,0|1,0,0]=3 4145 B22R0.32950 CCC(O)CCCCCCCCCCCCC(=O)N(C)CCO b55ee83619f0d078a350b8de6145406a [0,2,0,0,0,0|0,0,0]=2 4146 B22R0.32950 CCCN(C)C(=O)CCCCCCCCCCCCC(=O)CC 3c39acc765699273ca250c476adbb078 [0,2,0,0,0,0|1,0,1]=4 4147 B22R0.32950 CCCN(C)C(=O)CCCCCCCCCCCCC(O)CC 1c56ce0ba40ea355e6a90a65f8bda630 [0,2,0,0,0,0|1,0,0]=3 4148 B22R0.32950 COC(=O)CCCCCCCCCCCCC(=O)N(C)CCO e7f360d8ad932f939f82be9c13239225 [0,2,0,0,0,0|1,0,1]=4 4149 B22R0.12915 C#CC(C)NC(=O)CCCCCCCCCCCCCC(C)C 1a47107391a634c833f138eaf66ba15a [0,2,0,0,0,0|1,0,1]=4 4150 B22R0.12915 C#CC(C)NC(=O)CCCCCCCCCCCCCC(C)O baf57d942cd2db52cda5b9696ac8391a [0,2,0,0,0,0|1,0,1]=4 4151 B22R0.12915 C#C[C@@H](C)NC(=O)CCCCCCCCCCCCCC(C)C c931b5de6e6189937df103f5accd4616 [0,2,0,0,0,0|1,0,1]=4 4152 B22R0.12915 C#C[C@@H](C)NC(=O)CCCCCCCCCCCCCC(C)O 511c5bd4c96a115b6e3aaf0fbee919c8 [0,2,0,0,0,0|1,0,1]=4 4153 B22R0.12915 C#C[C@H](C)NC(=O)CCCCCCCCCCCCCC(C)C 3464d96fdd91fb3a2ed2ffe2de5c1c70 [0,2,0,0,0,0|1,0,1]=4 4154 B22R0.12915 C#C[C@H](C)NC(=O)CCCCCCCCCCCCCC(C)O f024c14ce93d262e41e032d2748dafe2 [0,2,0,0,0,0|1,0,1]=4 4155 B22R0.12915 C=CC(C)NC(=O)CCCCCCCCCCCCCC(C)O d4fbfc9c1679f8ad446627b0308d2ade [0,2,0,0,0,0|1,0,1]=4 4156 B22R0.12915 CC(=O)CCCCCCCCCCCCCC(=O)NC(C)CO afacb7c6621e666c663f85ebc044cf3e [0,2,0,0,0,0|0,0,1]=3 4157 B22R0.12915 CC(=O)CCCCCCCCCCCCCC(=O)N[C@@H](C)CO c6ca3591c483ffaf4ea64b93fff656bc [0,2,0,0,0,0|0,0,1]=3 4158 B22R0.12915 CC(=O)CCCCCCCCCCCCCC(=O)N[C@H](C)CO 73f1a184dfe0176decb4a95c23446c79 [0,2,0,0,0,0|0,0,1]=3 4159 B22R0.12915 CC(C)CCCCCCCCCCCCCC(=O)NC(C)C#N b34ba1834a6558b68b28d5d7be2e9150 [0,2,0,0,0,0|1,0,1]=4 4160 B22R0.12915 CC(C)CCCCCCCCCCCCCC(=O)NC(C)CO 4f319017f40e367cca5f3c3b8663908a [0,2,0,0,0,0|0,0,0]=2 4161 B22R0.12915 CC(C)CCCCCCCCCCCCCC(=O)N[C@@H](C)CO 89b471db34d05ac8cc2953f11af8ce33 [0,2,0,0,0,0|0,0,0]=2 4162 B22R0.12915 CC(C)CCCCCCCCCCCCCC(=O)N[C@H](C)CO ab152918312ffe91b23b7da3f3416fb2 [0,2,0,0,0,0|0,0,0]=2 4163 B22R0.12915 CC(O)CCCCCCCCCCCCCC(=O)NC(C)C#N b8140d3f62615af710b976111ce11131 [0,2,0,0,0,0|1,0,1]=4 4164 B22R0.12915 CC(O)CCCCCCCCCCCCCC(=O)NC(C)CO 00fdae957da583688a18000e5e114b50 [0,2,0,0,0,0|0,0,0]=2 4165 B22R0.12915 CC(O)CCCCCCCCCCCCCC(=O)N[C@@H](C)CO 735ecbb9db7e260722892bbc231bf1cc [0,2,0,0,0,0|0,0,0]=2 4166 B22R0.12915 CC(O)CCCCCCCCCCCCCC(=O)N[C@H](C)CO 4b9f89860dc50c74669376db35d8d947 [0,2,0,0,0,0|0,0,0]=2 4167 B22R0.12915 CCC(C)NC(=O)CCCCCCCCCCCCCC(=O)C b739b59fdba76e24ccee7f60c56db410 [0,2,0,0,0,0|1,0,1]=4 4168 B22R0.12915 CCC(C)NC(=O)CCCCCCCCCCCCCC(C)O e538aeec94cd9b13539b7b71769d9082 [0,2,0,0,0,0|1,0,0]=3 4169 B22R0.12915 CC[C@@H](C)NC(=O)CCCCCCCCCCCCCC(=O)C 0dda963576af6f8f1f1cdce1a960b344 [0,2,0,0,0,0|1,0,1]=4 4170 B22R0.12915 CC[C@@H](C)NC(=O)CCCCCCCCCCCCCC(C)O f1acbfeb5eb40e51669e7119b1fb07e8 [0,2,0,0,0,0|1,0,0]=3 4171 B22R0.12915 CC[C@H](C)NC(=O)CCCCCCCCCCCCCC(=O)C aabdb9479f2961699b5b0099dbfcfa9e [0,2,0,0,0,0|1,0,1]=4 4172 B22R0.12915 CC[C@H](C)NC(=O)CCCCCCCCCCCCCC(C)O eb796bbd1e6e048b2bb7ba14b6ffa2cc [0,2,0,0,0,0|1,0,0]=3 4173 B22R0.16293 C=C(Br)CNC(=O)CCCCCCCCCCC(O)CCCC 80359556d1018a401e61830514227e49 [0,2,0,0,0,0|1,0,1]=4 4174 B22R0.16293 C=C(C)CNC(=O)CCCCCCCCCCC(O)CCCC 62e206a940214cb61e9a1b94a14fa1ea [0,2,0,0,0,0|1,0,1]=4 4175 B22R0.16293 CCCCC(=O)CCCCCCCCCCC(=O)NCC(C)C e98e678405a1a78da34ebfbbf831db18 [0,2,0,0,0,0|1,0,1]=4 4176 B22R0.16293 CCCCC(=O)CCCCCCCCCCC(=O)NCC(C)O 8f2a77fb10bfa0b2dd312f445ac7cc4a [0,2,0,0,0,0|0,0,1]=3 4177 B22R0.16293 CCCCC(=O)CCCCCCCCCCC(=O)NCC(F)F 3478d01b0b78f1b3b966d764539afbc4 [0,2,0,0,0,0|1,0,1]=4 4178 B22R0.16293 CCCCC(=O)CCCCCCCCCCC(=O)NC[C@@H](C)O a6b7a5c1b1a1691b5d3a64f74a9781f7 [0,2,0,0,0,0|0,0,1]=3 4179 B22R0.16293 CCCCC(=O)CCCCCCCCCCC(=O)NC[C@H](C)O 6c7896af79de25d4945acc6566e4cb27 [0,2,0,0,0,0|0,0,1]=3 4180 B22R0.16293 CCCCC(O)CCCCCCCCCCC(=O)NCC(=O)C e1728ee332fa09d342ffc201d101caa7 [0,2,0,0,0,0|0,0,2]=4 4181 B22R0.16293 CCCCC(O)CCCCCCCCCCC(=O)NCC(=O)N fd08ae04015dd5b16ecfa1d6c5b5df46 [0,2,0,0,0,0|0,0,2]=4 4182 B22R0.16293 CCCCC(O)CCCCCCCCCCC(=O)NCC(C)C 59e3befc5fc9377d6ebf8d507ff827fe [0,2,0,0,0,0|1,0,0]=3 4183 B22R0.16293 CCCCC(O)CCCCCCCCCCC(=O)NCC(C)O 567f30f6dc8bab0b334193423916a51c [0,2,0,0,0,0|0,0,0]=2 4184 B22R0.16293 CCCCC(O)CCCCCCCCCCC(=O)NCC(F)F 44cd90d56dc12d27b6547a158f2f8ef2 [0,2,0,0,0,0|1,0,0]=3 4185 B22R0.16293 CCCCC(O)CCCCCCCCCCC(=O)NC[C@@H](C)O 2d19bdf667228afb5f87a8c7178b7735 [0,2,0,0,0,0|0,0,0]=2 4186 B22R0.16293 CCCCC(O)CCCCCCCCCCC(=O)NC[C@H](C)O c12c66c58433d89fc375944019f7e7ec [0,2,0,0,0,0|0,0,0]=2 4187 B22R0.33169 C#CCN(C)C(=O)CCCCCCCCCCCCCC(C)C 10f3b7c3407ffb90fc0d66b3a2a2da6e [0,2,0,0,0,0|1,0,1]=4 4188 B22R0.33169 C#CCN(C)C(=O)CCCCCCCCCCCCCC(C)O bb3535b7c655c8e562cd2990e840a1c5 [0,2,0,0,0,0|1,0,1]=4 4189 B22R0.33169 C=CCN(C)C(=O)CCCCCCCCCCCCCC(C)O 71e25b2717d67e01e3c46a3ced7de17b [0,2,0,0,0,0|1,0,1]=4 4190 B22R0.33169 CC(=O)CCCCCCCCCCCCCC(=O)N(C)CCF e527c79dbe93465ff2d64920f563a69e [0,2,0,0,0,0|1,0,1]=4 4191 B22R0.33169 CC(=O)CCCCCCCCCCCCCC(=O)N(C)CCO 16b8947977f802b39b60b6dbce2881b9 [0,2,0,0,0,0|0,0,1]=3 4192 B22R0.33169 CC(C)CCCCCCCCCCCCCC(=O)N(C)CC#N f5322bd09cc32464b5aff9d08658ea07 [0,2,0,0,0,0|1,0,1]=4 4193 B22R0.33169 CC(C)CCCCCCCCCCCCCC(=O)N(C)CCO a540363656787dfad8940bddfff88851 [0,2,0,0,0,0|0,0,0]=2 4194 B22R0.33169 CC(O)CCCCCCCCCCCCCC(=O)N(C)CC#N 9d8f628b0963beb15e5cae2e892f8324 [0,2,0,0,0,0|1,0,1]=4 4195 B22R0.33169 CC(O)CCCCCCCCCCCCCC(=O)N(C)CCF 9a0f72ff820d007afaadf9315729dcda [0,2,0,0,0,0|1,0,0]=3 4196 B22R0.33169 CC(O)CCCCCCCCCCCCCC(=O)N(C)CCO 606947a911b272448be6049f3d403554 [0,2,0,0,0,0|0,0,0]=2 4197 B22R0.33169 CCCN(C)C(=O)CCCCCCCCCCCCCC(=O)C 0c72756fd41f45eb85495b2bd1c83705 [0,2,0,0,0,0|1,0,1]=4 4198 B22R0.33169 CCCN(C)C(=O)CCCCCCCCCCCCCC(C)O dd4d322984d3fb661592698534905e05 [0,2,0,0,0,0|1,0,0]=3 4199 B22R0.41371 C=C(Br)CNC(=O)CCCCCCCCCCCCCC(C)O bd8bfb3bb7b3ed0ce69c8d22b05122e8 [0,2,0,0,0,0|1,0,1]=4 4200 B22R0.41371 C=C(C)CNC(=O)CCCCCCCCCCCCCC(C)O 3ee773b4a5cf47c5034d95932f7826c8 [0,2,0,0,0,0|1,0,1]=4 4201 B22R0.41371 CC(=O)CCCCCCCCCCCCCC(=O)NCC(C)C 2f22e4b74a53d1708d6a2a43bff140bf [0,2,0,0,0,0|1,0,1]=4 4202 B22R0.41371 CC(=O)CCCCCCCCCCCCCC(=O)NCC(C)O 8650ea6f34e3a9479866b26f100e8ebe [0,2,0,0,0,0|0,0,1]=3 4203 B22R0.41371 CC(=O)CCCCCCCCCCCCCC(=O)NCC(F)F 3857363c294018cd4eff850b878e1387 [0,2,0,0,0,0|1,0,1]=4 4204 B22R0.41371 CC(=O)CCCCCCCCCCCCCC(=O)NC[C@@H](C)O b83972ff8c0592ed9d2020a3e337bd4e [0,2,0,0,0,0|0,0,1]=3 4205 B22R0.41371 CC(=O)CCCCCCCCCCCCCC(=O)NC[C@H](C)O 054087291f04bd4771c62b392517e9b6 [0,2,0,0,0,0|0,0,1]=3 4206 B22R0.41371 CC(=O)CNC(=O)CCCCCCCCCCCCCC(C)C 11b83f5782a23c244dab724673c6e7c9 [0,2,0,0,0,0|0,0,2]=4 4207 B22R0.41371 CC(=O)CNC(=O)CCCCCCCCCCCCCC(C)O 63affb9b4c58cf1ca4dd1efb08e9f6fd [0,2,0,0,0,0|0,0,2]=4 4208 B22R0.41371 CC(C)CCCCCCCCCCCCCC(=O)NCC(=O)N d215250089be20149135a91216ee87e3 [0,2,0,0,0,0|0,0,2]=4 4209 B22R0.41371 CC(C)CCCCCCCCCCCCCC(=O)NCC(C)O 08dc21d0d7f020941927eb15290c019a [0,2,0,0,0,0|0,0,0]=2 4210 B22R0.41371 CC(C)CCCCCCCCCCCCCC(=O)NC[C@@H](C)O 3836d30adb0404cdd9621711725ec3a1 [0,2,0,0,0,0|0,0,0]=2 4211 B22R0.41371 CC(C)CCCCCCCCCCCCCC(=O)NC[C@H](C)O aa87f205444147b71d79053b40c6b0af [0,2,0,0,0,0|0,0,0]=2 4212 B22R0.41371 CC(C)CNC(=O)CCCCCCCCCCCCCC(C)O 13507264a1fe41ab1aa8ad2b5144e809 [0,2,0,0,0,0|1,0,0]=3 4213 B22R0.41371 CC(O)CCCCCCCCCCCCCC(=O)NCC(=O)N 55c85c48c3f0c626c140ca27d1925458 [0,2,0,0,0,0|0,0,2]=4 4214 B22R0.41371 CC(O)CCCCCCCCCCCCCC(=O)NCC(C)O 309413d3230048aa141675cfd6c8cb45 [0,2,0,0,0,0|0,0,0]=2 4215 B22R0.41371 CC(O)CCCCCCCCCCCCCC(=O)NCC(F)F 5c1d3d3ac38b3b3e69a25766e0a26efa [0,2,0,0,0,0|1,0,0]=3 4216 B22R0.41371 CC(O)CCCCCCCCCCCCCC(=O)NC[C@@H](C)O 8f0031810bcad004f74b68ec56aa8037 [0,2,0,0,0,0|0,0,0]=2 4217 B22R0.41371 CC(O)CCCCCCCCCCCCCC(=O)NC[C@H](C)O 2aec139e74351816dad1efd71d7a4acd [0,2,0,0,0,0|0,0,0]=2 4218 B22R0.17722 C#CC(C)NC(=O)CCCCCCC(O)CCCCCCCC 6d8a9489a5278f1d25f594432c9e34b2 [0,2,0,0,0,0|1,0,1]=4 4219 B22R0.17722 C#C[C@@H](C)NC(=O)CCCCCCC(O)CCCCCCCC 900b1b1c7018ff25edb1b563a4ebdd08 [0,2,0,0,0,0|1,0,1]=4 4220 B22R0.17722 C#C[C@H](C)NC(=O)CCCCCCC(O)CCCCCCCC abfd42366b75343675090d1055d2d41d [0,2,0,0,0,0|1,0,1]=4 4221 B22R0.17722 C=CC(C)NC(=O)CCCCCCC(O)CCCCCCCC f614a5a9a41dba22aebe9d71ec989e9a [0,2,0,0,0,0|1,0,1]=4 4222 B22R0.17722 CCCCCCCCC(=O)CCCCCCC(=O)NC(C)CC 4332c605616154344f403652095a2bc7 [0,2,0,0,0,0|1,0,1]=4 4223 B22R0.17722 CCCCCCCCC(=O)CCCCCCC(=O)NC(C)CO c34a9df1439ec1f4a2cba05ef78c595e [0,2,0,0,0,0|0,0,1]=3 4224 B22R0.17722 CCCCCCCCC(=O)CCCCCCC(=O)N[C@@H](C)CC c09e69cce8270f860dd4b71c9637f5ef [0,2,0,0,0,0|1,0,1]=4 4225 B22R0.17722 CCCCCCCCC(=O)CCCCCCC(=O)N[C@@H](C)CO 7e8e0a66dde817272ffa0ce53349aae7 [0,2,0,0,0,0|0,0,1]=3 4226 B22R0.17722 CCCCCCCCC(=O)CCCCCCC(=O)N[C@H](C)CC d5f36d6e31c5a5065e43d3c3cd6fe2bc [0,2,0,0,0,0|1,0,1]=4 4227 B22R0.17722 CCCCCCCCC(=O)CCCCCCC(=O)N[C@H](C)CO f9fe5a8f1df8d16260a247a41f1f891b [0,2,0,0,0,0|0,0,1]=3 4228 B22R0.17722 CCCCCCCCC(O)CCCCCCC(=O)NC(C)C#N a6fd03ec63516106365cf1f39b046553 [0,2,0,0,0,0|1,0,1]=4 4229 B22R0.17722 CCCCCCCCC(O)CCCCCCC(=O)NC(C)CC 39ee1cd238d31551d6b11f07f4a33981 [0,2,0,0,0,0|1,0,0]=3 4230 B22R0.17722 CCCCCCCCC(O)CCCCCCC(=O)NC(C)CO 6dd451a0821dfefab4c2749762006a7d [0,2,0,0,0,0|0,0,0]=2 4231 B22R0.17722 CCCCCCCCC(O)CCCCCCC(=O)N[C@@H](C)CC 7cdebdcda343491fc6152a93ce9f64cb [0,2,0,0,0,0|1,0,0]=3 4232 B22R0.17722 CCCCCCCCC(O)CCCCCCC(=O)N[C@@H](C)CO b2d1f23bcb2ade0203ae710ba4180c48 [0,2,0,0,0,0|0,0,0]=2 4233 B22R0.17722 CCCCCCCCC(O)CCCCCCC(=O)N[C@H](C)CC e35667a02dd210dd1a2e27570ad809a2 [0,2,0,0,0,0|1,0,0]=3 4234 B22R0.17722 CCCCCCCCC(O)CCCCCCC(=O)N[C@H](C)CO ddc02d445c4fd12e69fe44afb4654c9f [0,2,0,0,0,0|0,0,0]=2 4235 B22R0.17723 C#CCN(C)C(=O)CCCCCCC(O)CCCCCCCC 189c3c762d86df88b456daa9ec22180f [0,2,0,0,0,0|1,0,1]=4 4236 B22R0.17723 C=CCN(C)C(=O)CCCCCCC(O)CCCCCCCC 4ec40889568704cf96c3cb6eddc7d6d4 [0,2,0,0,0,0|1,0,1]=4 4237 B22R0.17723 CCCCCCCCC(=O)CCCCCCC(=O)N(C)CCC 301c92bef37e9e3dda1dee5418b681e3 [0,2,0,0,0,0|1,0,1]=4 4238 B22R0.17723 CCCCCCCCC(=O)CCCCCCC(=O)N(C)CCF d39f5bda133ab3c3b2de6274d0dc474e [0,2,0,0,0,0|1,0,1]=4 4239 B22R0.17723 CCCCCCCCC(=O)CCCCCCC(=O)N(C)CCO d725b595985b7d7a514aae42769b6a07 [0,2,0,0,0,0|0,0,1]=3 4240 B22R0.17723 CCCCCCCCC(O)CCCCCCC(=O)N(C)CC#N 9ce776cb5e65fd207933bea5f3eaf029 [0,2,0,0,0,0|1,0,1]=4 4241 B22R0.17723 CCCCCCCCC(O)CCCCCCC(=O)N(C)CCC eef3a84af1f44625dd702632f4ddb9a9 [0,2,0,0,0,0|1,0,0]=3 4242 B22R0.17723 CCCCCCCCC(O)CCCCCCC(=O)N(C)CCF c9abefeed211c503cbd0b43ed9e3d53b [0,2,0,0,0,0|1,0,0]=3 4243 B22R0.17723 CCCCCCCCC(O)CCCCCCC(=O)N(C)CCO e6b690fda7ca8933e2f2c194f5e5a8dc [0,2,0,0,0,0|0,0,0]=2 4244 B22R0.19235 C=C(Br)CNC(=O)CCCCCCC(O)CCCCCCCC 0c7b7721af993557820292eab480b136 [0,2,0,0,0,0|1,0,1]=4 4245 B22R0.19235 C=C(C)CNC(=O)CCCCCCC(O)CCCCCCCC 0fc70aba8e0b7b6c2ced3d94908c6eb3 [0,2,0,0,0,0|1,0,1]=4 4246 B22R0.19235 CCCCCCCCC(=O)CCCCCCC(=O)NCC(C)C 0f6fa021ad70b7bc0341bf0c4e8aac45 [0,2,0,0,0,0|1,0,1]=4 4247 B22R0.19235 CCCCCCCCC(=O)CCCCCCC(=O)NCC(C)O 411e2b64e7b7da1d8483dd1fa36ff982 [0,2,0,0,0,0|0,0,1]=3 4248 B22R0.19235 CCCCCCCCC(=O)CCCCCCC(=O)NCC(F)F bc7d08e0ecb7d1321b3cb2eef87846fa [0,2,0,0,0,0|1,0,1]=4 4249 B22R0.19235 CCCCCCCCC(=O)CCCCCCC(=O)NC[C@@H](C)O 3c336019c62eb1e8680f27166fbddca8 [0,2,0,0,0,0|0,0,1]=3 4250 B22R0.19235 CCCCCCCCC(=O)CCCCCCC(=O)NC[C@H](C)O d1bd4624f267f7b6f73ab9d58fa922ab [0,2,0,0,0,0|0,0,1]=3 4251 B22R0.19235 CCCCCCCCC(O)CCCCCCC(=O)NCC(=O)C c21103de0c26cc56f99bbd0c918c58f3 [0,2,0,0,0,0|0,0,2]=4 4252 B22R0.19235 CCCCCCCCC(O)CCCCCCC(=O)NCC(=O)N 597d0384e007ea2932a9d4833512493f [0,2,0,0,0,0|0,0,2]=4 4253 B22R0.19235 CCCCCCCCC(O)CCCCCCC(=O)NCC(C)C 5828714da6182c60fbb83a10e8876f24 [0,2,0,0,0,0|1,0,0]=3 4254 B22R0.19235 CCCCCCCCC(O)CCCCCCC(=O)NCC(C)O 6655c2304a7ad16f49b26ca66e115e0d [0,2,0,0,0,0|0,0,0]=2 4255 B22R0.19235 CCCCCCCCC(O)CCCCCCC(=O)NCC(F)F 9c70d7539114ce02a04a259a91c4408b [0,2,0,0,0,0|1,0,0]=3 4256 B22R0.19235 CCCCCCCCC(O)CCCCCCC(=O)NC[C@@H](C)O d69a75c097eb9d2734ab6f6a8bb082c6 [0,2,0,0,0,0|0,0,0]=2 4257 B22R0.19235 CCCCCCCCC(O)CCCCCCC(=O)NC[C@H](C)O 51b4c2b9013c963087ab300953d4eb9c [0,2,0,0,0,0|0,0,0]=2 4258 B22R0.19139 C#CC(C)NC(=O)CC(O)CCCCCCCCCCCCC 69d81bb2011b9f4822e3b5a9d3a3cba7 [0,2,0,0,0,0|1,0,1]=4 4259 B22R0.19139 C#CC(C)NC(=O)C[C@H](O)CCCCCCCCCCCCC cdadd8c0e7f653417826b94e5f238168 [0,2,0,0,0,0|1,0,1]=4 4260 B22R0.19139 C#C[C@@H](C)NC(=O)CC(O)CCCCCCCCCCCCC 427a9d6f5732e212ab002c70c1ca3156 [0,2,0,0,0,0|1,0,1]=4 4261 B22R0.19139 C#C[C@@H](C)NC(=O)C[C@H](O)CCCCCCCCCCCCC 54f94790a1915bcf0e61803c04736e1c [0,2,0,0,0,0|1,0,1]=4 4262 B22R0.19139 C#C[C@H](C)NC(=O)CC(O)CCCCCCCCCCCCC 1b5a85a8238adf770dd713411144ad63 [0,2,0,0,0,0|1,0,1]=4 4263 B22R0.19139 C#C[C@H](C)NC(=O)C[C@H](O)CCCCCCCCCCCCC afd24c4e74f7e4ecd8738966ff5ca6fc [0,2,0,0,0,0|1,0,1]=4 4264 B22R0.19139 C=CC(C)NC(=O)CC(O)CCCCCCCCCCCCC 711c17855b7de0dac400ed9a3a916a24 [0,2,0,0,0,0|1,0,1]=4 4265 B22R0.19139 C=CC(C)NC(=O)C[C@H](O)CCCCCCCCCCCCC f8c83b9928742f4db17d743ef8bf19e8 [0,2,0,0,0,0|1,0,1]=4 4266 B22R0.19139 CCCCCCCCCCCCCC(O)CC(=O)NC(C)C#N 4492c102daf803361fd038772b29313b [0,2,0,0,0,0|1,0,1]=4 4267 B22R0.19139 CCCCCCCCCCCCCC(O)CC(=O)NC(C)CC 2c5cee834f7186d6e7983ac6c8f15e29 [0,2,0,0,0,0|1,0,0]=3 4268 B22R0.19139 CCCCCCCCCCCCCC(O)CC(=O)NC(C)CO 43ac1f6ecd1f0795f6edee002b14e93b [0,2,0,0,0,0|0,0,0]=2 4269 B22R0.19139 CCCCCCCCCCCCCC(O)CC(=O)N[C@@H](C)CC 931c53a9e76e19369d299d3bf614bf15 [0,2,0,0,0,0|1,0,0]=3 4270 B22R0.19139 CCCCCCCCCCCCCC(O)CC(=O)N[C@@H](C)CO 3133e1f293c2addafc4155acc8562330 [0,2,0,0,0,0|0,0,0]=2 4271 B22R0.19139 CCCCCCCCCCCCCC(O)CC(=O)N[C@H](C)CC fc04d624fa8c5dbb35b1650f509fd41d [0,2,0,0,0,0|1,0,0]=3 4272 B22R0.19139 CCCCCCCCCCCCCC(O)CC(=O)N[C@H](C)CO 6dfe0d3aa9a42706c9c6fb99a4b6fec6 [0,2,0,0,0,0|0,0,0]=2 4273 B22R0.19139 CCCCCCCCCCCCC[C@@H](O)CC(=O)NC(C)C#N 3e0179ac9fb05da23a4ef7da914015d4 [0,2,0,0,0,0|1,0,1]=4 4274 B22R0.19139 CCCCCCCCCCCCC[C@@H](O)CC(=O)NC(C)CC 556e0c0a02144b6928118fe86bcf349d [0,2,0,0,0,0|1,0,0]=3 4275 B22R0.19139 CCCCCCCCCCCCC[C@@H](O)CC(=O)NC(C)CO 850e1ffd62cc0659d4370db17bc257cc [0,2,0,0,0,0|0,0,0]=2 4276 B22R0.19139 CCCCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H](C)CC de60305c5be2c141ff77bca3d230a811 [0,2,0,0,0,0|1,0,0]=3 4277 B22R0.19139 CCCCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H](C)CO 430431a0764caf27b480888dc2058285 [0,2,0,0,0,0|0,0,0]=2 4278 B22R0.19139 CCCCCCCCCCCCC[C@@H](O)CC(=O)N[C@H](C)CC a6c4cd2411fb447eb4e6dd812889b4f1 [0,2,0,0,0,0|1,0,0]=3 4279 B22R0.19139 CCCCCCCCCCCCC[C@@H](O)CC(=O)N[C@H](C)CO 545eddca20fb111540c2067eae4dd883 [0,2,0,0,0,0|0,0,0]=2 4280 B22R0.19140 C#CCN(C)C(=O)CC(O)CCCCCCCCCCCCC bca46aa97df36a8d2189f4503cff5ce6 [0,2,0,0,0,0|1,0,1]=4 4281 B22R0.19140 C#CCN(C)C(=O)C[C@H](O)CCCCCCCCCCCCC e987ce0beaca3681f38bc7e10277e6fa [0,2,0,0,0,0|1,0,1]=4 4282 B22R0.19140 C=CCN(C)C(=O)CC(O)CCCCCCCCCCCCC d5306d4fbc5bd47c79684a84075babb7 [0,2,0,0,0,0|1,0,1]=4 4283 B22R0.19140 C=CCN(C)C(=O)C[C@H](O)CCCCCCCCCCCCC c666d2b7c31bbca9135e684b9dbf51da [0,2,0,0,0,0|1,0,1]=4 4284 B22R0.19140 CCCCCCCCCCCCCC(O)CC(=O)N(C)CC#N 2679c5b9de4a0190b2ea46ae7c484bb3 [0,2,0,0,0,0|1,0,1]=4 4285 B22R0.19140 CCCCCCCCCCCCCC(O)CC(=O)N(C)CCC 2c8b1e1ae1d265a3ff3bc0de5dcc4282 [0,2,0,0,0,0|1,0,0]=3 4286 B22R0.19140 CCCCCCCCCCCCCC(O)CC(=O)N(C)CCF 991d3ac4f02acd3c2e0568a9ba65c742 [0,2,0,0,0,0|1,0,0]=3 4287 B22R0.19140 CCCCCCCCCCCCCC(O)CC(=O)N(C)CCO 8f820b5752fb1e870360f46b40398b86 [0,2,0,0,0,0|0,0,0]=2 4288 B22R0.19140 CCCCCCCCCCCCC[C@@H](O)CC(=O)N(C)CC#N e05957c231d01f7cd641e57589e26c55 [0,2,0,0,0,0|1,0,1]=4 4289 B22R0.19140 CCCCCCCCCCCCC[C@@H](O)CC(=O)N(C)CCC d217610aa3a668a54127a51dd50322b9 [0,2,0,0,0,0|1,0,0]=3 4290 B22R0.19140 CCCCCCCCCCCCC[C@@H](O)CC(=O)N(C)CCF d3cf04f2d44dec28f950c201eda1f006 [0,2,0,0,0,0|1,0,0]=3 4291 B22R0.19140 CCCCCCCCCCCCC[C@@H](O)CC(=O)N(C)CCO 9b31a3974cd9ae921d0d70b8879f8caa [0,2,0,0,0,0|0,0,0]=2 4292 B22R0.27176 C=C(Br)CNC(=O)CC(O)CCCCCCCCCCCCC 0561a6730e81304f286e2f3a64ec3b71 [0,2,0,0,0,0|1,0,1]=4 4293 B22R0.27176 C=C(Br)CNC(=O)C[C@H](O)CCCCCCCCCCCCC d6bdb0d36e598b04bf307780dd81ab83 [0,2,0,0,0,0|1,0,1]=4 4294 B22R0.27176 C=C(C)CNC(=O)CC(O)CCCCCCCCCCCCC 34a4220aa0498ff46d1aa11f009032ec [0,2,0,0,0,0|1,0,1]=4 4295 B22R0.27176 C=C(C)CNC(=O)C[C@H](O)CCCCCCCCCCCCC a4535dcce0625f4e5f6417de784a66e8 [0,2,0,0,0,0|1,0,1]=4 4296 B22R0.27176 CCCCCCCCCCCCCC(O)CC(=O)NCC(=O)C 873519a6c69684ba8e247a22c6980620 [0,2,0,0,0,0|0,0,2]=4 4297 B22R0.27176 CCCCCCCCCCCCCC(O)CC(=O)NCC(=O)N 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[0,2,0,0,0,0|0,0,0]=2 4307 B22R0.27176 CCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(F)F 2ac6314d2fd1e564691a2f09d8923517 [0,2,0,0,0,0|1,0,0]=3 4308 B22R0.27176 CCCCCCCCCCCCC[C@@H](O)CC(=O)NC[C@@H](C)O 91a2f98dcbdfe10e8400e8fbda0f4c38 [0,2,0,0,0,0|0,0,0]=2 4309 B22R0.27176 CCCCCCCCCCCCC[C@@H](O)CC(=O)NC[C@H](C)O 0f1ff0089f161762d555f6dbf05be45c [0,2,0,0,0,0|0,0,0]=2 4310 B22R0.21651 C=C(Br)CNC(=O)CCCCCCCCC(O)CCCCCC b561b1f2cb1ab5325ab1e43a6d4e06fe [0,2,0,0,0,0|1,0,1]=4 4311 B22R0.21651 C=C(C)CNC(=O)CCCCCCCCC(O)CCCCCC 050e8537d168742690a650ed82898e14 [0,2,0,0,0,0|1,0,1]=4 4312 B22R0.21651 CCCCCCC(=O)CCCCCCCCC(=O)NCC(C)C c4937a2b5baee1ddb346b12df6b334ea [0,2,0,0,0,0|1,0,1]=4 4313 B22R0.21651 CCCCCCC(=O)CCCCCCCCC(=O)NCC(C)O cc538b55b668a286e3ba7644ba1f015b [0,2,0,0,0,0|0,0,1]=3 4314 B22R0.21651 CCCCCCC(=O)CCCCCCCCC(=O)NCC(F)F 738c2e448d9793fe790307ea1167236a [0,2,0,0,0,0|1,0,1]=4 4315 B22R0.21651 CCCCCCC(=O)CCCCCCCCC(=O)NC[C@@H](C)O c5f630a35cb125f20f564bd1a0516c6e [0,2,0,0,0,0|0,0,1]=3 4316 B22R0.21651 CCCCCCC(=O)CCCCCCCCC(=O)NC[C@H](C)O 53baba2addbce97d9881a00e52cc105a [0,2,0,0,0,0|0,0,1]=3 4317 B22R0.21651 CCCCCCC(O)CCCCCCCCC(=O)NCC(=O)C b699a699b8db43ee1d78761e129e42a5 [0,2,0,0,0,0|0,0,2]=4 4318 B22R0.21651 CCCCCCC(O)CCCCCCCCC(=O)NCC(=O)N 86b8af3ae8d225d0b9e7b6fd7fb03797 [0,2,0,0,0,0|0,0,2]=4 4319 B22R0.21651 CCCCCCC(O)CCCCCCCCC(=O)NCC(C)C 0b2275628bbe2024ffbc783de162f3d4 [0,2,0,0,0,0|1,0,0]=3 4320 B22R0.21651 CCCCCCC(O)CCCCCCCCC(=O)NCC(C)O 62573a10a65b77377df2ec26449935c8 [0,2,0,0,0,0|0,0,0]=2 4321 B22R0.21651 CCCCCCC(O)CCCCCCCCC(=O)NCC(F)F 2ae64f90d40eae92c97fd0861862859d [0,2,0,0,0,0|1,0,0]=3 4322 B22R0.21651 CCCCCCC(O)CCCCCCCCC(=O)NC[C@@H](C)O d94c0f13db2d143d5317598ea0a006b6 [0,2,0,0,0,0|0,0,0]=2 4323 B22R0.21651 CCCCCCC(O)CCCCCCCCC(=O)NC[C@H](C)O 0ecb3fbc564dda3ec38a659ecb09c20c [0,2,0,0,0,0|0,0,0]=2 4324 B22R0.22312 C#CC(C)NC(=O)CCCCCCCCC(O)CCCCCC 87606f3360c37a953134b92ab8ca2006 [0,2,0,0,0,0|1,0,1]=4 4325 B22R0.22312 C#C[C@@H](C)NC(=O)CCCCCCCCC(O)CCCCCC bb4adfa8c5631793a388f8c84088587d [0,2,0,0,0,0|1,0,1]=4 4326 B22R0.22312 C#C[C@H](C)NC(=O)CCCCCCCCC(O)CCCCCC 2f3ff29042ead16af450b6edf0dbf394 [0,2,0,0,0,0|1,0,1]=4 4327 B22R0.22312 C=CC(C)NC(=O)CCCCCCCCC(O)CCCCCC 9f9299c8a51142465e16ab66fec7ccd9 [0,2,0,0,0,0|1,0,1]=4 4328 B22R0.22312 CCCCCCC(=O)CCCCCCCCC(=O)NC(C)CC 06fb563d2afdd5663b8a10aeb7277eff [0,2,0,0,0,0|1,0,1]=4 4329 B22R0.22312 CCCCCCC(=O)CCCCCCCCC(=O)NC(C)CO 8b4d94e5818d6b39af0b4231bbae6b4f [0,2,0,0,0,0|0,0,1]=3 4330 B22R0.22312 CCCCCCC(=O)CCCCCCCCC(=O)N[C@@H](C)CC 90599b023c5379c1224c1f5c67937161 [0,2,0,0,0,0|1,0,1]=4 4331 B22R0.22312 CCCCCCC(=O)CCCCCCCCC(=O)N[C@@H](C)CO becb6e1511e8aec1e009d3eb159c82c5 [0,2,0,0,0,0|0,0,1]=3 4332 B22R0.22312 CCCCCCC(=O)CCCCCCCCC(=O)N[C@H](C)CC 3de2e719ef242c652ef35be1e2a77781 [0,2,0,0,0,0|1,0,1]=4 4333 B22R0.22312 CCCCCCC(=O)CCCCCCCCC(=O)N[C@H](C)CO d89a7bd7b6cafda01ecd9e9f9a2a3c49 [0,2,0,0,0,0|0,0,1]=3 4334 B22R0.22312 CCCCCCC(O)CCCCCCCCC(=O)NC(C)C#N 1f1b6099f559a0222596cc65704ac906 [0,2,0,0,0,0|1,0,1]=4 4335 B22R0.22312 CCCCCCC(O)CCCCCCCCC(=O)NC(C)CC 948cfa99a347bf9d37cd7b15ca00aae6 [0,2,0,0,0,0|1,0,0]=3 4336 B22R0.22312 CCCCCCC(O)CCCCCCCCC(=O)NC(C)CO e3f26c1ff18e8b9a55e13c54b659749f [0,2,0,0,0,0|0,0,0]=2 4337 B22R0.22312 CCCCCCC(O)CCCCCCCCC(=O)N[C@@H](C)CC be8bda439a1a24346df41a10144e39df [0,2,0,0,0,0|1,0,0]=3 4338 B22R0.22312 CCCCCCC(O)CCCCCCCCC(=O)N[C@@H](C)CO b01641293f8055db905224cde745da06 [0,2,0,0,0,0|0,0,0]=2 4339 B22R0.22312 CCCCCCC(O)CCCCCCCCC(=O)N[C@H](C)CC a7aa55902dd22e8265c0a43e8749b315 [0,2,0,0,0,0|1,0,0]=3 4340 B22R0.22312 CCCCCCC(O)CCCCCCCCC(=O)N[C@H](C)CO f9faa4831a44656e9df5926025313ae0 [0,2,0,0,0,0|0,0,0]=2 4341 B22R0.22313 C#CCN(C)C(=O)CCCCCCCCC(O)CCCCCC e88ec1e33baff326a94c318865ec37a2 [0,2,0,0,0,0|1,0,1]=4 4342 B22R0.22313 C=CCN(C)C(=O)CCCCCCCCC(O)CCCCCC f8c657fa8e023e17b1530307e26444a6 [0,2,0,0,0,0|1,0,1]=4 4343 B22R0.22313 CCCCCCC(=O)CCCCCCCCC(=O)N(C)CCC 3760032c70ed4549b99ce5436f504396 [0,2,0,0,0,0|1,0,1]=4 4344 B22R0.22313 CCCCCCC(=O)CCCCCCCCC(=O)N(C)CCF dbabef76c87c77ba218eecd82f0c1907 [0,2,0,0,0,0|1,0,1]=4 4345 B22R0.22313 CCCCCCC(=O)CCCCCCCCC(=O)N(C)CCO 3f173f2e1de444e53c6262c5cb56560f [0,2,0,0,0,0|0,0,1]=3 4346 B22R0.22313 CCCCCCC(O)CCCCCCCCC(=O)N(C)CC#N ef7dbed20864aed0c0c6d4de4d07e713 [0,2,0,0,0,0|1,0,1]=4 4347 B22R0.22313 CCCCCCC(O)CCCCCCCCC(=O)N(C)CCC 2125c53a1eeaefd57c3e8cfd7a0cfe89 [0,2,0,0,0,0|1,0,0]=3 4348 B22R0.22313 CCCCCCC(O)CCCCCCCCC(=O)N(C)CCF 46ef9e53736c6664e76988ced0569bd0 [0,2,0,0,0,0|1,0,0]=3 4349 B22R0.22313 CCCCCCC(O)CCCCCCCCC(=O)N(C)CCO 0225df2eea014c953b02f178161da8fc [0,2,0,0,0,0|0,0,0]=2 4350 B22R0.24822 C#CC(C)NC(=O)CCCCCCCCCC(O)CCCCC c464b9bdc4e8feb80c960facc9eac7d0 [0,2,0,0,0,0|1,0,1]=4 4351 B22R0.24822 C#C[C@@H](C)NC(=O)CCCCCCCCCC(O)CCCCC 970df15d89867a1c60a1a74723c54351 [0,2,0,0,0,0|1,0,1]=4 4352 B22R0.24822 C#C[C@H](C)NC(=O)CCCCCCCCCC(O)CCCCC d215e6b481997c79725fe0c5427b6188 [0,2,0,0,0,0|1,0,1]=4 4353 B22R0.24822 C=CC(C)NC(=O)CCCCCCCCCC(O)CCCCC dac1390ba197526385e7219f0bafea0b [0,2,0,0,0,0|1,0,1]=4 4354 B22R0.24822 CCCCCC(=O)CCCCCCCCCC(=O)NC(C)CC 8b934b99d8ed597096b5f591896559e7 [0,2,0,0,0,0|1,0,1]=4 4355 B22R0.24822 CCCCCC(=O)CCCCCCCCCC(=O)NC(C)CO 17c97c1cba3a8dbcaf08e0fb09bedae9 [0,2,0,0,0,0|0,0,1]=3 4356 B22R0.24822 CCCCCC(=O)CCCCCCCCCC(=O)N[C@@H](C)CC ae3a935790e191c672e5e2fbc36d65b7 [0,2,0,0,0,0|1,0,1]=4 4357 B22R0.24822 CCCCCC(=O)CCCCCCCCCC(=O)N[C@@H](C)CO 4629b0734327accddc8da556656c8931 [0,2,0,0,0,0|0,0,1]=3 4358 B22R0.24822 CCCCCC(=O)CCCCCCCCCC(=O)N[C@H](C)CC 27b4b8931fdbb372255ab88a54c2dd54 [0,2,0,0,0,0|1,0,1]=4 4359 B22R0.24822 CCCCCC(=O)CCCCCCCCCC(=O)N[C@H](C)CO 29cdf7bf0615b25033a9777cf3dd6def [0,2,0,0,0,0|0,0,1]=3 4360 B22R0.24822 CCCCCC(O)CCCCCCCCCC(=O)NC(C)C#N 5c00e90f09c159644b8fd9b79b782394 [0,2,0,0,0,0|1,0,1]=4 4361 B22R0.24822 CCCCCC(O)CCCCCCCCCC(=O)NC(C)CC df574a278c3348f3c9e1f4a69fa8fff5 [0,2,0,0,0,0|1,0,0]=3 4362 B22R0.24822 CCCCCC(O)CCCCCCCCCC(=O)NC(C)CO 43677ea813a1c16ae745921baca01e00 [0,2,0,0,0,0|0,0,0]=2 4363 B22R0.24822 CCCCCC(O)CCCCCCCCCC(=O)N[C@@H](C)CC 23b146e3b6f0d5035764c5535ca72cd0 [0,2,0,0,0,0|1,0,0]=3 4364 B22R0.24822 CCCCCC(O)CCCCCCCCCC(=O)N[C@@H](C)CO c578d98a8a667eff1c648aceff3ddcec [0,2,0,0,0,0|0,0,0]=2 4365 B22R0.24822 CCCCCC(O)CCCCCCCCCC(=O)N[C@H](C)CC 00f00c47b2d65ed88e9e173e171cf19c [0,2,0,0,0,0|1,0,0]=3 4366 B22R0.24822 CCCCCC(O)CCCCCCCCCC(=O)N[C@H](C)CO 83b2c3b03814fbe0c3d6dfc5f9f05776 [0,2,0,0,0,0|0,0,0]=2 4367 B22R0.24823 C#CCN(C)C(=O)CCCCCCCCCC(O)CCCCC 050bd185d13315508ded44768a9272f3 [0,2,0,0,0,0|1,0,1]=4 4368 B22R0.24823 C=CCN(C)C(=O)CCCCCCCCCC(O)CCCCC b6e005494a075b1c37f43a38d69d5365 [0,2,0,0,0,0|1,0,1]=4 4369 B22R0.24823 CCCCCC(=O)CCCCCCCCCC(=O)N(C)CCC 915688c94cf6e58a67c14531ab48f855 [0,2,0,0,0,0|1,0,1]=4 4370 B22R0.24823 CCCCCC(=O)CCCCCCCCCC(=O)N(C)CCF 29f4051f4a19ca66c8537ae954b96e05 [0,2,0,0,0,0|1,0,1]=4 4371 B22R0.24823 CCCCCC(=O)CCCCCCCCCC(=O)N(C)CCO 305e5da93de8e9d0d1a35158c728f0bd [0,2,0,0,0,0|0,0,1]=3 4372 B22R0.24823 CCCCCC(O)CCCCCCCCCC(=O)N(C)CC#N 3fbb727dc638646184f4f94b8f178fe7 [0,2,0,0,0,0|1,0,1]=4 4373 B22R0.24823 CCCCCC(O)CCCCCCCCCC(=O)N(C)CCC 13c2ced76eddf79187e3343405dfdd64 [0,2,0,0,0,0|1,0,0]=3 4374 B22R0.24823 CCCCCC(O)CCCCCCCCCC(=O)N(C)CCF 0ecab0fc3af3b32ba3cf2d57a084aab2 [0,2,0,0,0,0|1,0,0]=3 4375 B22R0.24823 CCCCCC(O)CCCCCCCCCC(=O)N(C)CCO 7cfb095e52d9a297d5178fb990da11d5 [0,2,0,0,0,0|0,0,0]=2 4376 B22R0.25577 C=C(Br)CNC(=O)CCCCCCCCCC(O)CCCCC 920b962bbd73588ba7b4f76cd310f8ac [0,2,0,0,0,0|1,0,1]=4 4377 B22R0.25577 C=C(C)CNC(=O)CCCCCCCCCC(O)CCCCC ba6a7d09c5d97704b483a33a490ea2fe [0,2,0,0,0,0|1,0,1]=4 4378 B22R0.25577 CCCCCC(=O)CCCCCCCCCC(=O)NCC(C)C af64ec7b98842a42c0b57630e84772cf [0,2,0,0,0,0|1,0,1]=4 4379 B22R0.25577 CCCCCC(=O)CCCCCCCCCC(=O)NCC(C)O 0e76475c7922c7aeb674b70083053cb7 [0,2,0,0,0,0|0,0,1]=3 4380 B22R0.25577 CCCCCC(=O)CCCCCCCCCC(=O)NCC(F)F b06e741a90ec3ddf15a842cf62ec24b3 [0,2,0,0,0,0|1,0,1]=4 4381 B22R0.25577 CCCCCC(=O)CCCCCCCCCC(=O)NC[C@@H](C)O c3db643e3436146fb73cea4c454b9489 [0,2,0,0,0,0|0,0,1]=3 4382 B22R0.25577 CCCCCC(=O)CCCCCCCCCC(=O)NC[C@H](C)O 01f880165584532cd73f704941d4c839 [0,2,0,0,0,0|0,0,1]=3 4383 B22R0.25577 CCCCCC(O)CCCCCCCCCC(=O)NCC(=O)C 5bd17840dee0e78049a4f4482ac7550f [0,2,0,0,0,0|0,0,2]=4 4384 B22R0.25577 CCCCCC(O)CCCCCCCCCC(=O)NCC(=O)N 3ad5e55a04bbbd930ff5281d55ed4312 [0,2,0,0,0,0|0,0,2]=4 4385 B22R0.25577 CCCCCC(O)CCCCCCCCCC(=O)NCC(C)C 288e5f89fb96e2285e44c85910a8c30f [0,2,0,0,0,0|1,0,0]=3 4386 B22R0.25577 CCCCCC(O)CCCCCCCCCC(=O)NCC(C)O 86ad5636ce1f71b3b3a05d0ce803a8aa [0,2,0,0,0,0|0,0,0]=2 4387 B22R0.25577 CCCCCC(O)CCCCCCCCCC(=O)NCC(F)F bedef92f7cb18c517096b26bf6210c93 [0,2,0,0,0,0|1,0,0]=3 4388 B22R0.25577 CCCCCC(O)CCCCCCCCCC(=O)NC[C@@H](C)O d8325d3e62be3b1b2538bb51535b6ef8 [0,2,0,0,0,0|0,0,0]=2 4389 B22R0.25577 CCCCCC(O)CCCCCCCCCC(=O)NC[C@H](C)O cac78aa21c7b23bb13b1f34b07df8d79 [0,2,0,0,0,0|0,0,0]=2 4390 B22R0.26786 CCCCCCCCCCCCCNC(CC)C(=O)NCCC 33e944d90c7f772528f157b086cea146 [0,2,0,0,0,0|2,0,0]=4 4391 B22R0.26786 CCCCCCCCCCCCCN[C@@H](CC)C(=O)NCCC bbc96cf7f49204a938ec2bd74eabaa44 [0,2,0,0,0,0|2,0,0]=4 4392 B22R0.26786 CCCCCCCCCCCCCOC(CC)C(=O)NCCC fbb7cfc1a4a49c29637a73f79c92baf1 [0,2,0,0,0,0|2,0,0]=4 4393 B22R0.26868 C#CCN(C)C(=O)C(F)CCCCCCCCCCCCCC 037ae2014d29956e52777d7607264324 [0,2,0,0,0,0|1,0,1]=4 4394 B22R0.26868 C#CCN(C)C(=O)C(O)CCCCCCCCCCCCCC c9315c96ef93bcb85e23217fb3afe47b [0,2,0,0,0,0|1,0,1]=4 4395 B22R0.26868 C#CCN(C)C(=O)[C@@H](O)CCCCCCCCCCCCCC aecb0c67ca567015227b8dfca2c5d15f [0,2,0,0,0,0|1,0,1]=4 4396 B22R0.26868 C=CCN(C)C(=O)C(O)CCCCCCCCCCCCCC 9d10dbff33b1f3a9528dab507a256b61 [0,2,0,0,0,0|1,0,1]=4 4397 B22R0.26868 C=CCN(C)C(=O)[C@@H](O)CCCCCCCCCCCCCC 190c068295dbb051ec81326335a76623 [0,2,0,0,0,0|1,0,1]=4 4398 B22R0.26868 CCCCCCCCCCCCCCC(F)C(=O)N(C)CC#N e4fe67ce3254afa1f239297350cea2d8 [0,2,0,0,0,0|1,0,1]=4 4399 B22R0.26868 CCCCCCCCCCCCCCC(F)C(=O)N(C)CCF dd0a38e6b9c1e8edca5a0fd328ce3f60 [0,2,0,0,0,0|1,0,0]=3 4400 B22R0.26868 CCCCCCCCCCCCCCC(F)C(=O)N(C)CCO 7054af4d9036da14f22098275aa7630b [0,2,0,0,0,0|0,0,0]=2 4401 B22R0.26868 CCCCCCCCCCCCCCC(O)C(=O)N(C)CC#N 6f6afd7a4c961d03fadf23f1b04160b8 [0,2,0,0,0,0|1,0,1]=4 4402 B22R0.26868 CCCCCCCCCCCCCCC(O)C(=O)N(C)CCC 6c6a3b017548fce86f0853b8d036e0ff [0,2,0,0,0,0|1,0,0]=3 4403 B22R0.26868 CCCCCCCCCCCCCCC(O)C(=O)N(C)CCF cc8d44c1628934d3f83a5b4a1001a418 [0,2,0,0,0,0|1,0,0]=3 4404 B22R0.26868 CCCCCCCCCCCCCCC(O)C(=O)N(C)CCO 65ac4c545b34d1d1f12bd5215560da0e [0,2,0,0,0,0|0,0,0]=2 4405 B22R0.26868 CCCCCCCCCCCCCC[C@H](O)C(=O)N(C)CC#N baa4622011232cd1157e2c753f02538d [0,2,0,0,0,0|1,0,1]=4 4406 B22R0.26868 CCCCCCCCCCCCCC[C@H](O)C(=O)N(C)CCC aadb5f431fcbd9313e5e2ded286cdbcd [0,2,0,0,0,0|1,0,0]=3 4407 B22R0.26868 CCCCCCCCCCCCCC[C@H](O)C(=O)N(C)CCF 49785cec1c537d0c810e4b7f5aab5834 [0,2,0,0,0,0|1,0,0]=3 4408 B22R0.26868 CCCCCCCCCCCCCC[C@H](O)C(=O)N(C)CCO f5ad75254d1c923853fb097e457ed6fb [0,2,0,0,0,0|0,0,0]=2 4409 B22R0.33849 C=C(Br)CNC(=O)C(O)CCCCCCCCCCCCCC 47710f9bfc7dcbb352f7b8bd554c68b9 [0,2,0,0,0,0|1,0,1]=4 4410 B22R0.33849 C=C(Br)CNC(=O)[C@@H](O)CCCCCCCCCCCCCC a0ae1057c9bbfb216aaabee247654bd9 [0,2,0,0,0,0|1,0,1]=4 4411 B22R0.33849 C=C(C)CNC(=O)C(O)CCCCCCCCCCCCCC 3104cbe6be2c410d4b25197e03223e5d [0,2,0,0,0,0|1,0,1]=4 4412 B22R0.33849 C=C(C)CNC(=O)[C@@H](O)CCCCCCCCCCCCCC 51c628205efad6b416bb26297da36422 [0,2,0,0,0,0|1,0,1]=4 4413 B22R0.33849 CCCCCCCCCCCCCCC(F)C(=O)NCC(=O)C 1e60c8a784856a587f7dfa8e634c9006 [0,2,0,0,0,0|0,0,2]=4 4414 B22R0.33849 CCCCCCCCCCCCCCC(F)C(=O)NCC(=O)N a23606fcb9d2bd1214bd7286d00d59f5 [0,2,0,0,0,0|0,0,2]=4 4415 B22R0.33849 CCCCCCCCCCCCCCC(F)C(=O)NCC(C)O cc53d28572d7254daa7d5114b4f7f729 [0,2,0,0,0,0|0,0,0]=2 4416 B22R0.33849 CCCCCCCCCCCCCCC(F)C(=O)NCC(F)F 824b4ebd8d425c25f87052a2fe418f1b [0,2,0,0,0,0|1,0,0]=3 4417 B22R0.33849 CCCCCCCCCCCCCCC(F)C(=O)NC[C@@H](C)O 43fad8324c068a0985e3c91e4965027d [0,2,0,0,0,0|0,0,0]=2 4418 B22R0.33849 CCCCCCCCCCCCCCC(F)C(=O)NC[C@H](C)O 14c932d2b072a4f1a3d4f855da7c320d [0,2,0,0,0,0|0,0,0]=2 4419 B22R0.33849 CCCCCCCCCCCCCCC(O)C(=O)NCC(=O)C ad102a6b51aaf0fc8fdea04b3a969a8e [0,2,0,0,0,0|0,0,2]=4 4420 B22R0.33849 CCCCCCCCCCCCCCC(O)C(=O)NCC(=O)N eb484d8a640ea1d922e329eff5f87130 [0,2,0,0,0,0|0,0,2]=4 4421 B22R0.33849 CCCCCCCCCCCCCCC(O)C(=O)NCC(C)C b18d96875bb78eb96b39488bfb1d88cc [0,2,0,0,0,0|1,0,0]=3 4422 B22R0.33849 CCCCCCCCCCCCCCC(O)C(=O)NCC(C)O 9564a849c4a21cfd5bf03e509ad9cad5 [0,2,0,0,0,0|0,0,0]=2 4423 B22R0.33849 CCCCCCCCCCCCCCC(O)C(=O)NCC(F)F a11ab9f8a6b1bd202beb203fb0dfed6c [0,2,0,0,0,0|1,0,0]=3 4424 B22R0.33849 CCCCCCCCCCCCCCC(O)C(=O)NC[C@@H](C)O 0eb87dbe298936e477ee254015c06bc6 [0,2,0,0,0,0|0,0,0]=2 4425 B22R0.33849 CCCCCCCCCCCCCCC(O)C(=O)NC[C@H](C)O 68072272256d15928a2e1dc4c4f70296 [0,2,0,0,0,0|0,0,0]=2 4426 B22R0.33849 CCCCCCCCCCCCCCN(C)C(=O)CCC(C)O 55f65267b390ab19f4524b91be99209d [0,2,0,0,0,0|2,0,0]=4 4427 B22R0.33849 CCCCCCCCCCCCCCN(C)C(=O)NCC(=O)O bf52fded6deb7c86dd825423268365b1 [0,2,0,0,0,0|1,0,1]=4 4428 B22R0.33849 CCCCCCCCCCCCCCN(C)C(=O)NCC(C)C df8073bf930569def3e336b02dff3e00 [0,2,0,0,0,0|2,0,0]=4 4429 B22R0.33849 CCCCCCCCCCCCCCN(C)C(=O)NCC(C)O 6374565edb082c560b74710519e4514d [0,2,0,0,0,0|1,0,0]=3 4430 B22R0.33849 CCCCCCCCCCCCCCN(C)C(=O)NCC(F)F 49c72c3760a0e2c1974d47dfe5e754da [0,2,0,0,0,0|2,0,0]=4 4431 B22R0.33849 CCCCCCCCCCCCCCN(C)C(=O)NC[C@@H](C)O 3b53f441f148b149ecbd9d087c8c21e2 [0,2,0,0,0,0|1,0,0]=3 4432 B22R0.33849 CCCCCCCCCCCCCCN(C)C(=O)NC[C@H](C)O 1cda82c67e26157aa4e8377d48bfcbae [0,2,0,0,0,0|1,0,0]=3 4433 B22R0.33849 CCCCCCCCCCCCCCN(C)C(=S)NCC(C)O 92c3b717ec359176b03a34f956fced0b [0,2,0,0,0,0|1,1,0]=4 4434 B22R0.33849 CCCCCCCCCCCCCCN(C)C(=S)NC[C@@H](C)O 78c37b2f1cffec06164f9c8ea86c82b9 [0,2,0,0,0,0|1,1,0]=4 4435 B22R0.33849 CCCCCCCCCCCCCCN(C)C(=S)NC[C@H](C)O d0c87c7085a8ba5cf47556785c5148cd [0,2,0,0,0,0|1,1,0]=4 4436 B22R0.33849 CCCCCCCCCCCCCC[C@H](O)C(=O)NCC(=O)C 384da9651ccc6abf0016df557ad334b1 [0,2,0,0,0,0|0,0,2]=4 4437 B22R0.33849 CCCCCCCCCCCCCC[C@H](O)C(=O)NCC(=O)N 427ea2b877ddfbebfd26ca638fd1a986 [0,2,0,0,0,0|0,0,2]=4 4438 B22R0.33849 CCCCCCCCCCCCCC[C@H](O)C(=O)NCC(C)C 6777f4f3fe1fe835b64a2b7b5e3b9e58 [0,2,0,0,0,0|1,0,0]=3 4439 B22R0.33849 CCCCCCCCCCCCCC[C@H](O)C(=O)NCC(C)O 04706659a5c799c9e50dad716fadeec1 [0,2,0,0,0,0|0,0,0]=2 4440 B22R0.33849 CCCCCCCCCCCCCC[C@H](O)C(=O)NCC(F)F 335d3dbcfe963c03b5552cdd4577abd6 [0,2,0,0,0,0|1,0,0]=3 4441 B22R0.33849 CCCCCCCCCCCCCC[C@H](O)C(=O)NC[C@@H](C)O 316fb0ef57607aaee11b12ce4d2dc06f [0,2,0,0,0,0|0,0,0]=2 4442 B22R0.33849 CCCCCCCCCCCCCC[C@H](O)C(=O)NC[C@H](C)O eb73ff80aaff7a91d53a27e94f6b476d [0,2,0,0,0,0|0,0,0]=2 4443 B22R0.33849 CCCCCCCCCCCCCNC(C)C(=O)NCC(=O)O d74bf15c240f932326cd9e9c3330f395 [0,2,0,0,0,0|1,0,1]=4 4444 B22R0.33849 CCCCCCCCCCCCCNC(C)C(=O)NCC(C)C 9bd8b69499beb8757c7a64e5703996f2 [0,2,0,0,0,0|2,0,0]=4 4445 B22R0.33849 CCCCCCCCCCCCCN[C@@H](C)C(=O)NCC(=O)O a985edb1b852714539c38f767caacc98 [0,2,0,0,0,0|1,0,1]=4 4446 B22R0.33849 CCCCCCCCCCCCCN[C@H](C)C(=O)NCC(=O)O 25cf00d2efd53032879cfab380da5c17 [0,2,0,0,0,0|1,0,1]=4 4447 B22R0.33849 CCCCCCCCCCCCCOC(C)C(=O)NCC(=O)O 0e636dc695b317e5c229cb4fc3b0e106 [0,2,0,0,0,0|1,0,1]=4 4448 B22R0.33849 CCCCCCCCCCCCCOC(C)C(=O)NCC(C)C af1cd1c538e479e94fb395236709bede [0,2,0,0,0,0|2,0,0]=4 4449 B22R0.33849 CNCCCCCCCCCCCCN(C)C(=O)NCC(C)O 648bafa151545d5176ee302dab30b1fb [0,2,0,0,0,0|2,0,0]=4 4450 B22R0.33849 CNCCCCCCCCCCCCN(C)C(=O)NC[C@@H](C)O 31451c9ae1432026a735843f842db5df [0,2,0,0,0,0|2,0,0]=4 4451 B22R0.33849 CNCCCCCCCCCCCCN(C)C(=O)NC[C@H](C)O 8b6bfba30abcbf86fb195a4cc776906d [0,2,0,0,0,0|2,0,0]=4 4452 B22R0.37968 C#CC(C)NC(=O)C(F)CCCCCCCCCCCCCC 1a14cb6f1a1b68395aabb48f67568073 [0,2,0,0,0,0|1,0,1]=4 4453 B22R0.37968 C#CC(C)NC(=O)C(O)CCCCCCCCCCCCCC e1ca99835c982321b2b36b29fda7f233 [0,2,0,0,0,0|1,0,1]=4 4454 B22R0.37968 C#CC(C)NC(=O)[C@@H](O)CCCCCCCCCCCCCC 07f237d98d8a88fd17185963468582ed [0,2,0,0,0,0|1,0,1]=4 4455 B22R0.37968 C#C[C@@H](C)NC(=O)C(F)CCCCCCCCCCCCCC 4413263f021dcc6d668b8f41289759a7 [0,2,0,0,0,0|1,0,1]=4 4456 B22R0.37968 C#C[C@@H](C)NC(=O)C(O)CCCCCCCCCCCCCC 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72fe7622382c2435b851c4057dea5311 [0,2,0,0,0,0|0,0,0]=2 4466 B22R0.37968 CCCCCCCCCCCCCCC(F)C(=O)N[C@H](C)CO 9f63156f447a278f91fa8de6c3e2aade [0,2,0,0,0,0|0,0,0]=2 4467 B22R0.37968 CCCCCCCCCCCCCCC(O)C(=O)NC(C)C#N 028f29b617d0e684b5382d1d39c8717c [0,2,0,0,0,0|1,0,1]=4 4468 B22R0.37968 CCCCCCCCCCCCCCC(O)C(=O)NC(C)CC faa7185f7026a9c8396838285328f405 [0,2,0,0,0,0|1,0,0]=3 4469 B22R0.37968 CCCCCCCCCCCCCCC(O)C(=O)NC(C)CO f2e46b535272ff225b61a8a80ff0ef2c [0,2,0,0,0,0|0,0,0]=2 4470 B22R0.37968 CCCCCCCCCCCCCCC(O)C(=O)N[C@@H](C)CC 7473634d55a7325bc0cd9835a2dec325 [0,2,0,0,0,0|1,0,0]=3 4471 B22R0.37968 CCCCCCCCCCCCCCC(O)C(=O)N[C@@H](C)CO 3d6ea0ccfb2c61483c5e5b665f8551cd [0,2,0,0,0,0|0,0,0]=2 4472 B22R0.37968 CCCCCCCCCCCCCCC(O)C(=O)N[C@H](C)CC cce39ea1c71f7eb4a16e05520cb4783c [0,2,0,0,0,0|1,0,0]=3 4473 B22R0.37968 CCCCCCCCCCCCCCC(O)C(=O)N[C@H](C)CO 616853aac0f2ce70ea7a7fd6fba8c1eb [0,2,0,0,0,0|0,0,0]=2 4474 B22R0.37968 CCCCCCCCCCCCCCN(C)C(=O)NC(C)CO cc7233b6ba7b2f87e72b93a254661ec8 [0,2,0,0,0,0|1,0,0]=3 4475 B22R0.37968 CCCCCCCCCCCCCCN(C)C(=O)N[C@@H](C)CO 2398928e7f57cd8f4d8e8d6902e2a0b5 [0,2,0,0,0,0|1,0,0]=3 4476 B22R0.37968 CCCCCCCCCCCCCCN(C)C(=O)N[C@H](C)CO e88ccbae0a5607b63212b46424ed1b06 [0,2,0,0,0,0|1,0,0]=3 4477 B22R0.37968 CCCCCCCCCCCCCCN(C)C(=S)NC(C)CO e2fbb5fdaa6054dcff41582acbaca7bf [0,2,0,0,0,0|1,1,0]=4 4478 B22R0.37968 CCCCCCCCCCCCCCN(C)C(=S)N[C@@H](C)CO 6cc180b8e715b26af86a3990ccf5c575 [0,2,0,0,0,0|1,1,0]=4 4479 B22R0.37968 CCCCCCCCCCCCCCN(C)C(=S)N[C@H](C)CO 3d319724cc02d384954be46aa8fdfbc9 [0,2,0,0,0,0|1,1,0]=4 4480 B22R0.37968 CCCCCCCCCCCCCC[C@H](O)C(=O)NC(C)C#N 91ace274ad7812368e693bbccdb8392f [0,2,0,0,0,0|1,0,1]=4 4481 B22R0.37968 CCCCCCCCCCCCCC[C@H](O)C(=O)NC(C)CC b219203e2641667850f6be92a388afc3 [0,2,0,0,0,0|1,0,0]=3 4482 B22R0.37968 CCCCCCCCCCCCCC[C@H](O)C(=O)NC(C)CO b82909312a50373a14b6fd7d38491ce0 [0,2,0,0,0,0|0,0,0]=2 4483 B22R0.37968 CCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](C)CC e05ed877124f8cff128ceac572ff233f [0,2,0,0,0,0|1,0,0]=3 4484 B22R0.37968 CCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](C)CO 4597de3ff80961b1ba519646a644ddc3 [0,2,0,0,0,0|0,0,0]=2 4485 B22R0.37968 CCCCCCCCCCCCCC[C@H](O)C(=O)N[C@H](C)CC 1ac493a033b03d378b8f75fa263aec19 [0,2,0,0,0,0|1,0,0]=3 4486 B22R0.37968 CCCCCCCCCCCCCC[C@H](O)C(=O)N[C@H](C)CO a0e2fd30025f553368b8afd6a1efce39 [0,2,0,0,0,0|0,0,0]=2 4487 B22R0.37968 CCCCCCCCCCCCCNC(C)C(=O)NC(C)CC 017048bda3aac7ad73d94b1dc7b2de35 [0,2,0,0,0,0|2,0,0]=4 4488 B22R0.37968 CCCCCCCCCCCCCOC(C)C(=O)NC(C)CC 7f5366e3b29aec2a587defd21f0379f5 [0,2,0,0,0,0|2,0,0]=4 4489 B22R0.37968 CNCCCCCCCCCCCCN(C)C(=O)NC(C)CO 1c5c76d626d4a8aabec8d3db9fb6a358 [0,2,0,0,0,0|2,0,0]=4 4490 B22R0.37968 CNCCCCCCCCCCCCN(C)C(=O)N[C@@H](C)CO 991bda30ffae6f841fbb474f6c115afd [0,2,0,0,0,0|2,0,0]=4 4491 B22R0.37968 CNCCCCCCCCCCCCN(C)C(=O)N[C@H](C)CO ef5ed3f39b6bcb452769545508ba8abf [0,2,0,0,0,0|2,0,0]=4 4492 B22R0.33965 C#CC(C)NC(=O)CCCCCC(O)CCCCCCCCC 9bd5b9778fed866e7e095070f6e79d4e [0,2,0,0,0,0|1,0,1]=4 4493 B22R0.33965 C#C[C@@H](C)NC(=O)CCCCCC(O)CCCCCCCCC bbdd2e0bb0fccde3ef749f8df9cce719 [0,2,0,0,0,0|1,0,1]=4 4494 B22R0.33965 C#C[C@H](C)NC(=O)CCCCCC(O)CCCCCCCCC 45402931c4f164dec26cf62caf72af8d [0,2,0,0,0,0|1,0,1]=4 4495 B22R0.33965 C=CC(C)NC(=O)CCCCCC(O)CCCCCCCCC 0e4f2fb00c9ab5e3ad817ae49d7aa69b [0,2,0,0,0,0|1,0,1]=4 4496 B22R0.33965 CCCCCCCCCC(=O)CCCCCC(=O)NC(C)CC da611098d2938acd9f6991dcb03e9025 [0,2,0,0,0,0|1,0,1]=4 4497 B22R0.33965 CCCCCCCCCC(=O)CCCCCC(=O)NC(C)CO 2ecb4f32609d175cef8fa0cdb3c8d87c [0,2,0,0,0,0|0,0,1]=3 4498 B22R0.33965 CCCCCCCCCC(=O)CCCCCC(=O)N[C@@H](C)CC c6a3c6af80842390eb4025a61e38eff3 [0,2,0,0,0,0|1,0,1]=4 4499 B22R0.33965 CCCCCCCCCC(=O)CCCCCC(=O)N[C@@H](C)CO cc933ded333bd6a8fd2a3422cfa548e2 [0,2,0,0,0,0|0,0,1]=3 4500 B22R0.33965 CCCCCCCCCC(=O)CCCCCC(=O)N[C@H](C)CC c517f2818b900fb4dba259837227f3f9 [0,2,0,0,0,0|1,0,1]=4 4501 B22R0.33965 CCCCCCCCCC(=O)CCCCCC(=O)N[C@H](C)CO d3942729372f8da11e354ed5b3da44fd [0,2,0,0,0,0|0,0,1]=3 4502 B22R0.33965 CCCCCCCCCC(O)CCCCCC(=O)NC(C)C#N 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[0,2,0,0,0,0|1,0,1]=4 4512 B22R0.33966 CCCCCCCCCC(=O)CCCCCC(=O)N(C)CCF 61820d4e6e59d27cae67d358ee5dadee [0,2,0,0,0,0|1,0,1]=4 4513 B22R0.33966 CCCCCCCCCC(=O)CCCCCC(=O)N(C)CCO f636b74c9b68729b62a527ea5ed7ec2e [0,2,0,0,0,0|0,0,1]=3 4514 B22R0.33966 CCCCCCCCCC(O)CCCCCC(=O)N(C)CC#N 4c1ca40d53922ec519fad59f836b9a0c [0,2,0,0,0,0|1,0,1]=4 4515 B22R0.33966 CCCCCCCCCC(O)CCCCCC(=O)N(C)CCC 66c58858c112c6e44988575119b3a255 [0,2,0,0,0,0|1,0,0]=3 4516 B22R0.33966 CCCCCCCCCC(O)CCCCCC(=O)N(C)CCF 85079bd3b4faf4f2ac59f51ef0978929 [0,2,0,0,0,0|1,0,0]=3 4517 B22R0.33966 CCCCCCCCCC(O)CCCCCC(=O)N(C)CCO acce738ba0547de6c70ee877ce2623f7 [0,2,0,0,0,0|0,0,0]=2 4518 B22R0.49943 C=C(Br)CNC(=O)CCCCCC(O)CCCCCCCCC fe26b02f9aff25d2b1454752cfe6f702 [0,2,0,0,0,0|1,0,1]=4 4519 B22R0.49943 C=C(C)CNC(=O)CCCCCC(O)CCCCCCCCC 2fce04e8daa7cab61c792e2676df648c [0,2,0,0,0,0|1,0,1]=4 4520 B22R0.49943 CCCCCCCCCC(=O)CCCCCC(=O)NCC(C)C 1c9067264a5446c257f9e1789a28fac6 [0,2,0,0,0,0|1,0,1]=4 4521 B22R0.49943 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[0,2,0,0,0,0|0,0,1]=3 4540 B22R0.34067 CCCCCCCCCCCC(O)CCCC(=O)NCC(=O)C 696bef2399cff32e76765c1e24d2e082 [0,2,0,0,0,0|0,0,2]=4 4541 B22R0.34067 CCCCCCCCCCCC(O)CCCC(=O)NCC(=O)N 3a6b0f837a645eba6958ad2df95ad54e [0,2,0,0,0,0|0,0,2]=4 4542 B22R0.34067 CCCCCCCCCCCC(O)CCCC(=O)NCC(C)C 9181c508493e58f27b1dc95297f6fa37 [0,2,0,0,0,0|1,0,0]=3 4543 B22R0.34067 CCCCCCCCCCCC(O)CCCC(=O)NCC(C)O f13e19528483d062ecb3b7b91821cb25 [0,2,0,0,0,0|0,0,0]=2 4544 B22R0.34067 CCCCCCCCCCCC(O)CCCC(=O)NCC(F)F 06b58b6f00251cd231a80b562a773457 [0,2,0,0,0,0|1,0,0]=3 4545 B22R0.34067 CCCCCCCCCCCC(O)CCCC(=O)NC[C@@H](C)O a9e1632d55cb5ada6b3a347081eaf5a2 [0,2,0,0,0,0|0,0,0]=2 4546 B22R0.34067 CCCCCCCCCCCC(O)CCCC(=O)NC[C@H](C)O 98d9191bca5324295120b10fe2cc2615 [0,2,0,0,0,0|0,0,0]=2 4547 B22R0.37872 C#CC(C)NC(=O)CCCC(O)CCCCCCCCCCC bc5f4a07693e4bf07297dc871743b3d6 [0,2,0,0,0,0|1,0,1]=4 4548 B22R0.37872 C#C[C@@H](C)NC(=O)CCCC(O)CCCCCCCCCCC f3f9d20c46f5632e3a658e87123d6f2b [0,2,0,0,0,0|1,0,1]=4 4549 B22R0.37872 C#C[C@H](C)NC(=O)CCCC(O)CCCCCCCCCCC 2e6a41db6bb274192a0b82eeff8f729d [0,2,0,0,0,0|1,0,1]=4 4550 B22R0.37872 C=CC(C)NC(=O)CCCC(O)CCCCCCCCCCC c987147540ecb408d5c3abd26ce6e50c [0,2,0,0,0,0|1,0,1]=4 4551 B22R0.37872 CCCCCCCCCCCC(=O)CCCC(=O)NC(C)CC 10fd0f261b3356bee5d3aa84ccec750f [0,2,0,0,0,0|1,0,1]=4 4552 B22R0.37872 CCCCCCCCCCCC(=O)CCCC(=O)NC(C)CO 30cf06bf8b0217fc830d4dc5448b9c44 [0,2,0,0,0,0|0,0,1]=3 4553 B22R0.37872 CCCCCCCCCCCC(=O)CCCC(=O)N[C@@H](C)CC 08d50437d61ed142471984c7664b2aab [0,2,0,0,0,0|1,0,1]=4 4554 B22R0.37872 CCCCCCCCCCCC(=O)CCCC(=O)N[C@@H](C)CO f2a3a0369e3e75152941ceab9bd38cea [0,2,0,0,0,0|0,0,1]=3 4555 B22R0.37872 CCCCCCCCCCCC(=O)CCCC(=O)N[C@H](C)CC 4fb2f50d66b404456e0812c0c8f4ef4b [0,2,0,0,0,0|1,0,1]=4 4556 B22R0.37872 CCCCCCCCCCCC(=O)CCCC(=O)N[C@H](C)CO a85b6dea871445a064b5f6e3d48df30e [0,2,0,0,0,0|0,0,1]=3 4557 B22R0.37872 CCCCCCCCCCCC(O)CCCC(=O)NC(C)C#N 78a293e2976c29485d4064c1ef76062e [0,2,0,0,0,0|1,0,1]=4 4558 B22R0.37872 CCCCCCCCCCCC(O)CCCC(=O)NC(C)CC 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CC(C)[C@H](C)NC(=O)CCCCCCCCCCCCCCO 57f006f0b0c45f963190e837678343fb [0,2,0,0,0,0|2,0,0]=4 4578 B22R0.9493 CC(O)C(C)NC(=O)CCCCCCCCCCCCCC=O 14f7d558501515859d7ccc5daebe5ff4 [0,2,0,0,0,0|1,0,1]=4 4579 B22R0.9493 CC(O)C(C)NC(=O)CCCCCCCCCCCCCCO eddd617f5abba8757857485cf1ad777a [0,2,0,0,0,0|1,0,0]=3 4580 B22R0.9493 CC(O)C(C)NC(=O)NCCCCCCCCCCCCCO 7785f17b025a3990a047ee33b6de7c24 [0,2,0,0,0,0|2,0,0]=4 4581 B22R0.9493 CCCCCC/C=C/CCCCCCCC(=O)NC(C)C(C)O e37a3427de7ebe17c160b2831cb2869e [0,2,0,0,0,0|0,0,2]=4 4582 B22R0.9493 CCCCCC/C=C\CCCCCCCC(=O)NC(C)C(C)O 2a8814234f37cd8acc06f3b94722b9c4 [0,2,0,0,0,0|0,0,2]=4 4583 B22R0.9493 CCCCCCC=CCCCCCCCC(=O)NC(C)C(C)O 4c896694e25f44e46d8e1f41a7aadae9 [0,2,0,0,0,0|0,0,2]=4 4584 B22R0.9493 CCCCCCCCC/C=C\CCCCC(=O)NC(C)C(C)O 4c3156d4c3d6d71607203e51acc85e3c [0,2,0,0,0,0|0,0,2]=4 4585 B22R0.9493 CCCCCCCCCCCC/C=C/CC(=O)NC(C)C(C)O 9bf96f0547fe71e6c93a898a4693f106 [0,2,0,0,0,0|0,0,2]=4 4586 B22R0.9493 CCCCCCCCCCCCC/C=C/C(=O)NC(C)C(C)O 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CCCCCCCCCCC(=O)CCCCC(=O)N[C@@H](C)CC ebef8f4cea5f4930e292790a81fe90ee [0,2,0,0,0,0|1,0,1]=4 4765 B22R0.714438 CCCCCCCCCCC(=O)CCCCC(=O)N[C@@H](C)CO a0a443cfc6dd06da7987914cf9f84616 [0,2,0,0,0,0|0,0,1]=3 4766 B22R0.714438 CCCCCCCCCCC(=O)CCCCC(=O)N[C@H](C)CC 6185ce570a0e6013bfa8e1825042e921 [0,2,0,0,0,0|1,0,1]=4 4767 B22R0.714438 CCCCCCCCCCC(=O)CCCCC(=O)N[C@H](C)CO ead3ebc80895b368d7b2c39a2612849d [0,2,0,0,0,0|0,0,1]=3 4768 B22R0.714438 CCCCCCCCCCC(O)CCCCC(=O)NC(C)C#N 1705c70a6f026cec825d4e198925b95a [0,2,0,0,0,0|1,0,1]=4 4769 B22R0.714438 CCCCCCCCCCC(O)CCCCC(=O)NC(C)CC 6b58adf93ec2ede4682b8a88a606ad38 [0,2,0,0,0,0|1,0,0]=3 4770 B22R0.714438 CCCCCCCCCCC(O)CCCCC(=O)NC(C)CO e0823756973df97914d7b12b2f51a4e5 [0,2,0,0,0,0|0,0,0]=2 4771 B22R0.714438 CCCCCCCCCCC(O)CCCCC(=O)N[C@@H](C)CC 61c33315654d38e684bb944651e1b39f [0,2,0,0,0,0|1,0,0]=3 4772 B22R0.714438 CCCCCCCCCCC(O)CCCCC(=O)N[C@@H](C)CO 61d664214d9ef57f5d01323cb90faf32 [0,2,0,0,0,0|0,0,0]=2 4773 B22R0.714438 CCCCCCCCCCC(O)CCCCC(=O)N[C@H](C)CC 32fe6da9be101e790e97ec729d67205e [0,2,0,0,0,0|1,0,0]=3 4774 B22R0.714438 CCCCCCCCCCC(O)CCCCC(=O)N[C@H](C)CO c9955f0a732fb4168fafbf1f6c8abdcc [0,2,0,0,0,0|0,0,0]=2 4775 B22R0.714438 CCCCCCCCCOC(=O)CCCCC(=O)NC(C)CO 4ad83b6dbb9d1c15e7cfb25ce8731e82 [0,2,0,0,0,0|1,0,1]=4 4776 B22R0.714438 CCCCCCCCCOC(=O)CCCCC(=O)N[C@@H](C)CO 4c3ba7d75a6c84846ed1e6acdcb650e8 [0,2,0,0,0,0|1,0,1]=4 4777 B22R0.714438 CCCCCCCCCOC(=O)CCCCC(=O)N[C@H](C)CO 4ec6bc9024122a8ecc39719d75026271 [0,2,0,0,0,0|1,0,1]=4 4778 B22R0.10669 C#CCCCCCCCCCCCCCC(=O)N(C)CC(C)O cb05eaa23dd3a8eb3c49c05b806ba72c [0,2,0,0,0,0|0,0,2]=4 4779 B22R0.10669 C#CCCCCCCCCCCCCCC(=O)N(C)C[C@H](C)O d6fc657a4ce0aee02eb4c1155325e8e5 [0,2,0,0,0,0|0,0,2]=4 4780 B22R0.10669 C=CCCCCCCCCCCCCCC(=O)N(C)CC(C)O b267f32c4fbd528226000d875745cb54 [0,2,0,0,0,0|0,0,2]=4 4781 B22R0.10669 C=CCCCCCCCCCCCCCC(=O)N(C)C[C@H](C)O c8dd3019603d4094d02480db6d5fb934 [0,2,0,0,0,0|0,0,2]=4 4782 B22R0.10669 CC(C)CN(C)C(=O)CCCCCCCCCCCCCCO be918dabd120d63cdd5fb5c414447f5e [0,2,0,0,0,0|2,0,0]=4 4783 B22R0.10669 CC(O)CN(C)C(=O)CCCCCCCCCCCCCC=O 497545c8a49f86f7af8ecc05c4d72ce9 [0,2,0,0,0,0|1,0,1]=4 4784 B22R0.10669 CC(O)CN(C)C(=O)CCCCCCCCCCCCCCO d4cd0ff891e5bfafe8fdecc44a9db8cc [0,2,0,0,0,0|1,0,0]=3 4785 B22R0.10669 CC(O)CN(C)C(=O)NCCCCCCCCCCCCCO 6ce5b493d24907f2205fff22c2e4697d [0,2,0,0,0,0|2,0,0]=4 4786 B22R0.10669 CCCCCC/C=C/CCCCCCCC(=O)N(C)CC(C)O d08e466daa74e247df7bed5932d8239d [0,2,0,0,0,0|0,0,2]=4 4787 B22R0.10669 CCCCCC/C=C/CCCCCCCC(=O)N(C)C[C@H](C)O 5e22edbeb661e2234ce7531ccde8aaa3 [0,2,0,0,0,0|0,0,2]=4 4788 B22R0.10669 CCCCCC/C=C\CCCCCCCC(=O)N(C)CC(C)O 54c5e0392c89b12416de26a3102c7828 [0,2,0,0,0,0|0,0,2]=4 4789 B22R0.10669 CCCCCC/C=C\CCCCCCCC(=O)N(C)C[C@H](C)O 5c3ba4d7270fdaeaf490b3398e988879 [0,2,0,0,0,0|0,0,2]=4 4790 B22R0.10669 CCCCCCC=CCCCCCCCC(=O)N(C)CC(C)O 272de99b3d8235a7b7a789abee693826 [0,2,0,0,0,0|0,0,2]=4 4791 B22R0.10669 CCCCCCC=CCCCCCCCC(=O)N(C)C[C@H](C)O 74dbc43ceb1083c35dfae341ae89e4a6 [0,2,0,0,0,0|0,0,2]=4 4792 B22R0.10669 CCCCCCCCC/C=C\CCCCC(=O)N(C)CC(C)O d89dc5f5b6b928671ac3f359bda11bac [0,2,0,0,0,0|0,0,2]=4 4793 B22R0.10669 CCCCCCCCC/C=C\CCCCC(=O)N(C)C[C@H](C)O 1971e4cd190b788e6d7f19ab801df613 [0,2,0,0,0,0|0,0,2]=4 4794 B22R0.10669 CCCCCCCCCCCC/C=C/CC(=O)N(C)CC(C)O 9f3f29da60d0791f33790eaad5fa384c [0,2,0,0,0,0|0,0,2]=4 4795 B22R0.10669 CCCCCCCCCCCC/C=C/CC(=O)N(C)C[C@H](C)O d47d08f0177e374a11675b0160d60efb [0,2,0,0,0,0|0,0,2]=4 4796 B22R0.10669 CCCCCCCCCCCCC/C=C/C(=O)N(C)CC(C)O 30b174ce0f25200abc6151575167c0ee [0,2,0,0,0,0|0,0,2]=4 4797 B22R0.10669 CCCCCCCCCCCCC/C=C/C(=O)N(C)C[C@H](C)O 3d5251dbbc39f1926cd57749ee14ff0b [0,2,0,0,0,0|0,0,2]=4 4798 B22R0.10669 CCCCCCCCCCCCCCCC(=O)N(C)CC(=O)N ab66cf96694fcdc623ce8708c2f7e4d1 [0,2,0,0,0,0|0,0,2]=4 4799 B22R0.10669 CCCCCCCCCCCCCCCC(=O)N(C)CC(C)O 2560a8978a02da6ccf115abc565a2059 [0,2,0,0,0,0|0,0,0]=2 4800 B22R0.10669 CCCCCCCCCCCCCCCC(=O)N(C)C[C@H](C)O 7ba55b00ce93de29707207e7ceb7dba7 [0,2,0,0,0,0|0,0,0]=2 4801 B22R0.10669 CCCCCCCCCCCCCCNC(=O)N(C)CC(=O)O 95f938a5ff052ced1a8b11f110797630 [0,2,0,0,0,0|1,0,1]=4 4802 B22R0.10669 CCCCCCCCCCCCCCNC(=O)N(C)CC(C)C ec6d23247cd5ddb6fe4897a044193370 [0,2,0,0,0,0|2,0,0]=4 4803 B22R0.10669 CCCCCCCCCCCCCCNC(=O)N(C)CC(C)O 8cce2d4017ce83fe84bcee7b1284aefd [0,2,0,0,0,0|1,0,0]=3 4804 B22R0.10669 CCCCCCCCCCCCCCNC(=O)N(C)CC(F)F 520e971b9511bb43b0edcf6bbc899e59 [0,2,0,0,0,0|2,0,0]=4 4805 B22R0.10669 CCCCCCCCCCCCCCNC(=O)N(C)C[C@H](C)O 63f4a6a620132d1f811e0d985e0c1dec [0,2,0,0,0,0|1,0,0]=3 4806 B22R0.10669 CCCCCCCCCCCCCCNC(=S)N(C)CC(C)O 603e670975784f053108e175abc88ad6 [0,2,0,0,0,0|1,1,0]=4 4807 B22R0.10669 CCCCCCCCCCCCCCNC(=S)N(C)C[C@H](C)O 3569e7c8a2599dcb2e96f6c1c50da667 [0,2,0,0,0,0|1,1,0]=4 4808 B22R0.10669 CCCCCCCCCCCCCNCC(=O)N(C)CC(=O)O c7f14839da2cfc19079e244cd8aae6b3 [0,2,0,0,0,0|1,0,1]=4 4809 B22R0.10669 CCCCCCCCCCCCNCCC(=O)N(C)CC(=O)O a846ac6b41bedcce3ffd331a71c08025 [0,2,0,0,0,0|1,0,1]=4 4810 B22R0.10669 CCCCCCCCCCCCSCCC(=O)N(C)CC(C)O 3045084acd7a01d9f12e6bdd2c9a9d34 [0,2,0,0,0,0|1,0,0]=3 4811 B22R0.10669 CCCCCCCCCCCCSCCC(=O)N(C)CC(F)F a542c208ae7619713a00ac605c63dd78 [0,2,0,0,0,0|2,0,0]=4 4812 B22R0.10669 CCCCCCCCCCCCSCCC(=O)N(C)C[C@H](C)O 821c0d56bcb4e893f66cc1355c5b4508 [0,2,0,0,0,0|1,0,0]=3 4813 B22R0.10669 CN(CC(F)F)C(=O)CCCCCCCCCCCCCCO cc4190924e07f94af27ec27ef9472dc0 [0,2,0,0,0,0|2,0,0]=4 4814 B22R0.10669 C[C@H](O)CN(C)C(=O)CCCCCCCCCCCCCC=O dfd3510586d5b71486812ffe6ed73410 [0,2,0,0,0,0|1,0,1]=4 4815 B22R0.10669 C[C@H](O)CN(C)C(=O)CCCCCCCCCCCCCCO 915e1dc0966717690a15876ef80ab2c1 [0,2,0,0,0,0|1,0,0]=3 4816 B22R0.10669 C[C@H](O)CN(C)C(=O)NCCCCCCCCCCCCCO 219f1816684e629b184b15aa69b4a091 [0,2,0,0,0,0|2,0,0]=4 4817 B22R0.10670 C#CCCCCCCCCCCCCCC(=O)N(CC)CCO 4c7fed58907829d8d409f0e7b2de0cac [0,2,0,0,0,0|0,0,2]=4 4818 B22R0.10670 C#CCCCCCCCCCCCCCC(=O)N(CO)CCO cd35a8a190c5201aa5f78e801465fed6 [0,2,0,0,0,0|0,0,2]=4 4819 B22R0.10670 C=CCCCCCCCCCCCCCC(=O)N(CC)CCO 22934d7927725772534e57c322a28b26 [0,2,0,0,0,0|0,0,2]=4 4820 B22R0.10670 C=CCCCCCCCCCCCCCC(=O)N(CO)CCO 5ea080210f2ec84692eb2484aac3040d [0,2,0,0,0,0|0,0,2]=4 4821 B22R0.10670 C=CCN(C#N)C(=O)CCCCCCCCCCCCCCC 3dc4b596013f1c20f7ede29f455cfb40 [0,2,0,0,0,0|1,0,1]=4 4822 B22R0.10670 CCCCCC/C=C/CCCCCCCC(=O)N(CC)CCO 47af023c0778088cdae20b8ab4091831 [0,2,0,0,0,0|0,0,2]=4 4823 B22R0.10670 CCCCCC/C=C/CCCCCCCC(=O)N(CO)CCO dfe42e2f603a1649af9a0085dd934305 [0,2,0,0,0,0|0,0,2]=4 4824 B22R0.10670 CCCCCC/C=C\CCCCCCCC(=O)N(CC)CCO 3adda758dba71afc995f2b95bab9d3b5 [0,2,0,0,0,0|0,0,2]=4 4825 B22R0.10670 CCCCCC/C=C\CCCCCCCC(=O)N(CO)CCO c32216c17a5a7a25bb6c0042a042b895 [0,2,0,0,0,0|0,0,2]=4 4826 B22R0.10670 CCCCCCC=CCCCCCCCC(=O)N(CC)CCO b2ac4cb4154b51af59b9da9d4712afb1 [0,2,0,0,0,0|0,0,2]=4 4827 B22R0.10670 CCCCCCC=CCCCCCCCC(=O)N(CO)CCO 46d26b8ad623ae94cfc3623034523ec6 [0,2,0,0,0,0|0,0,2]=4 4828 B22R0.10670 CCCCCCCCC/C=C\CCCCC(=O)N(CC)CCO d7d3538b07c4c93142884412eb1819d1 [0,2,0,0,0,0|0,0,2]=4 4829 B22R0.10670 CCCCCCCCC/C=C\CCCCC(=O)N(CO)CCO 3dc85a250d52285b86eeb33a90ecdb0b [0,2,0,0,0,0|0,0,2]=4 4830 B22R0.10670 CCCCCCCCCCCC/C=C/CC(=O)N(CC)CCO 3dfb43b6f5cd014c40e41bc8e1d6e543 [0,2,0,0,0,0|0,0,2]=4 4831 B22R0.10670 CCCCCCCCCCCC/C=C/CC(=O)N(CO)CCO 7f5c026fcd04b23f75b06bd6bcd31cb3 [0,2,0,0,0,0|0,0,2]=4 4832 B22R0.10670 CCCCCCCCCCCCC/C=C/C(=O)N(CC)CCO 7c01e9aaeb851330b7be03a0a0b8ad88 [0,2,0,0,0,0|0,0,2]=4 4833 B22R0.10670 CCCCCCCCCCCCC/C=C/C(=O)N(CO)CCO 2d76c8967c4e826371896fbea1b111e7 [0,2,0,0,0,0|0,0,2]=4 4834 B22R0.10670 CCCCCCCCCCCCCCCC(=O)N(CC)CC#N 6c55f75161481b7ad9d1437fe1407982 [0,2,0,0,0,0|1,0,1]=4 4835 B22R0.10670 CCCCCCCCCCCCCCCC(=O)N(CC)CCO 5b4e293e0c30169a62b328510f96bbd9 [0,2,0,0,0,0|0,0,0]=2 4836 B22R0.10670 CCCCCCCCCCCCCCCC(=O)N(CO)CCO cbf94b0baa6dbc394007c261fff95343 [0,2,0,0,0,0|0,0,0]=2 4837 B22R0.10670 CCCCCCCCCCCCCCNC(=O)N(CC)CCO fad9f08963834b0c44011f265a4e8439 [0,2,0,0,0,0|1,0,0]=3 4838 B22R0.10670 CCCCCCCCCCCCCCNC(=O)N(CO)CCO b148d7666f18acf657f76cd2cf1835c1 [0,2,0,0,0,0|1,0,0]=3 4839 B22R0.10670 CCCCCCCCCCCCCCNC(=S)N(CC)CCO 0540fb972b97c3b8030458bc8ae0fe73 [0,2,0,0,0,0|1,1,0]=4 4840 B22R0.10670 CCCCCCCCCCCCCCNC(=S)N(CO)CCO e42aeba5cf8eebd9ebfc711778cf8a3f [0,2,0,0,0,0|1,1,0]=4 4841 B22R0.10670 CCCCCCCCCCCCSCCC(=O)N(CC)CCO 1500132fc4573035cc7e816a0f81b1a0 [0,2,0,0,0,0|1,0,0]=3 4842 B22R0.10670 CCCCCCCCCCCCSCCC(=O)N(CO)CCO 5f71e10b1a2d2b07a2017f4a1c0e3a43 [0,2,0,0,0,0|1,0,0]=3 4843 B22R0.10670 CCCN(CC)C(=O)CCCCCCCCCCCCCCO 46d74669e7f5b3e663ab6eb756e96707 [0,2,0,0,0,0|2,0,0]=4 4844 B22R0.10670 CCN(CCCl)C(=O)CCCCCCCCCCCCCCO ab2e1a1c8b574d538e8f7a6e250e55df [0,2,0,0,0,0|2,0,0]=4 4845 B22R0.10670 CCN(CCO)C(=O)CCCCCCCCCCCCCC=O a10375e9ef65468739e956be61120c92 [0,2,0,0,0,0|1,0,1]=4 4846 B22R0.10670 CCN(CCO)C(=O)CCCCCCCCCCCCCCO 4442562fd3fda651e872bcafa7dfae7f [0,2,0,0,0,0|1,0,0]=3 4847 B22R0.10670 CCN(CCO)C(=O)NCCCCCCCCCCCCCO fe75be3e4e1ff11099f1f0d046c95a8d [0,2,0,0,0,0|2,0,0]=4 4848 B22R0.10670 O=C(CCCCCCCCCCCCCCO)N(CO)CCO 42c7213ec0f12d9ecda1d252b8620bb5 [0,2,0,0,0,0|1,0,0]=3 4849 B22R0.10670 O=C(NCCCCCCCCCCCCCO)N(CO)CCO 9bae9e796e56592ffbad5d27081c1857 [0,2,0,0,0,0|2,0,0]=4 4850 B22R0.10670 O=CCCCCCCCCCCCCCC(=O)N(CO)CCO 1eba93c9a11bfe637ae6a3b0936ee761 [0,2,0,0,0,0|1,0,1]=4 4851 B22R0.714439 C#CCN(C)C(=O)CCCCC(O)CCCCCCCCCC 8d1863df41a61fba0e31fe46735e5ffe [0,2,0,0,0,0|1,0,1]=4 4852 B22R0.714439 C=CCN(C)C(=O)CCCCC(O)CCCCCCCCCC aa1535cbab9bdc5fb772b58ad18029a0 [0,2,0,0,0,0|1,0,1]=4 4853 B22R0.714439 CCCCCCCCCCC(=O)CCCCC(=O)N(C)CCC 43b7b10fc56aa36de92339f5e87b6f03 [0,2,0,0,0,0|1,0,1]=4 4854 B22R0.714439 CCCCCCCCCCC(=O)CCCCC(=O)N(C)CCF 4d4e41d1192f5c6ba76b22b8104fae2f [0,2,0,0,0,0|1,0,1]=4 4855 B22R0.714439 CCCCCCCCCCC(=O)CCCCC(=O)N(C)CCO 7a7f68c5501a75d44296c8717c239ed2 [0,2,0,0,0,0|0,0,1]=3 4856 B22R0.714439 CCCCCCCCCCC(O)CCCCC(=O)N(C)CC#N 108218358744b8811545a66eea542b95 [0,2,0,0,0,0|1,0,1]=4 4857 B22R0.714439 CCCCCCCCCCC(O)CCCCC(=O)N(C)CCC 400f78e8d1e28b1903bce87a551d4c21 [0,2,0,0,0,0|1,0,0]=3 4858 B22R0.714439 CCCCCCCCCCC(O)CCCCC(=O)N(C)CCF 7b36a207c499958352642ebbdff050b5 [0,2,0,0,0,0|1,0,0]=3 4859 B22R0.714439 CCCCCCCCCCC(O)CCCCC(=O)N(C)CCO f21c17f4b4a38b9edadc94714cf6caab [0,2,0,0,0,0|0,0,0]=2 4860 B22R0.714439 CCCCCCCCCOC(=O)CCCCC(=O)N(C)CCO 6158b6d2e7db0b9f53547dcc6070d216 [0,2,0,0,0,0|1,0,1]=4 4861 B22R0.27192 C#CCCCCCCCCCCCCCC(=O)NCC(C)(C)O 1d7ee6ed7309ef3cd5ab5c20348ddad7 [0,2,0,0,0,0|0,0,2]=4 4862 B22R0.27192 C=CCCCCCCCCCCCCCC(=O)NCC(C)(C)O 1ce4ba0d54576428b243a8a5b0eafb93 [0,2,0,0,0,0|0,0,2]=4 4863 B22R0.27192 CC(C)(C)CNC(=O)CCCCCCCCCCCCCCO ebba8899fe0a0c31bbad9d62aa12aec0 [0,2,0,0,0,0|2,0,0]=4 4864 B22R0.27192 CC(C)(O)CNC(=O)CCCCCCCCCCCCCC=O 50326b4639c3ff63e738e2fcaae13029 [0,2,0,0,0,0|1,0,1]=4 4865 B22R0.27192 CC(C)(O)CNC(=O)CCCCCCCCCCCCCCO 8d62f9ac8d1364f1322e3b45828536a5 [0,2,0,0,0,0|1,0,0]=3 4866 B22R0.27192 CC(C)(O)CNC(=O)NCCCCCCCCCCCCCO b0d0548f03d5f3c8a3754462bf6dceca [0,2,0,0,0,0|2,0,0]=4 4867 B22R0.27192 CC(F)(F)CNC(=O)CCCCCCCCCCCCCCO c1864185b54b3276fad264d8f0c1810b [0,2,0,0,0,0|2,0,0]=4 4868 B22R0.27192 CCCCCC/C=C/CCCCCCCC(=O)NCC(C)(C)O 970ed83b381ada6213379dcb8eb46643 [0,2,0,0,0,0|0,0,2]=4 4869 B22R0.27192 CCCCCC/C=C\CCCCCCCC(=O)NCC(C)(C)O 74d529714d1a569987ffda2859a1c426 [0,2,0,0,0,0|0,0,2]=4 4870 B22R0.27192 CCCCCCC=CCCCCCCCC(=O)NCC(C)(C)O 46a71aee293ee8736a8274a3bbc5cfba [0,2,0,0,0,0|0,0,2]=4 4871 B22R0.27192 CCCCCCCCC/C=C\CCCCC(=O)NCC(C)(C)O 0ad7a7c338dd3f9b22a0ad44ca1aedc4 [0,2,0,0,0,0|0,0,2]=4 4872 B22R0.27192 CCCCCCCCCCCC/C=C/CC(=O)NCC(C)(C)O 91d91d2caf2ec0ad6afc6141a2ab3d2e [0,2,0,0,0,0|0,0,2]=4 4873 B22R0.27192 CCCCCCCCCCCCC/C=C/C(=O)NCC(C)(C)O e2170eb9be6f5173922ab4aa384f7220 [0,2,0,0,0,0|0,0,2]=4 4874 B22R0.27192 CCCCCCCCCCCCCCCC(=O)NCC(C)(C)O 9e39989363ee61faa0423021cb54b185 [0,2,0,0,0,0|0,0,0]=2 4875 B22R0.27192 CCCCCCCCCCCCCCCC(=O)NCS(=O)(=O)O 74454d247b571e6d032e27bb3335ad54 [0,2,0,0,0,0|1,0,0]=3 4876 B22R0.27192 CCCCCCCCCCCCCCNC(=O)NCC(C)(C)O f1ae6da2ca3b4d8e634bd77649605b61 [0,2,0,0,0,0|1,0,0]=3 4877 B22R0.27192 CCCCCCCCCCCCCCNC(=O)NCC(C)(F)F 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B22R0.27192 O=C(CCCCCCCCCCCCCCO)NCC(F)(F)F 51fa6412ef3715234dc50392d51c18b5 [0,2,0,0,0,0|2,0,0]=4 4888 B22R0.27192 O=C(CCCCCCCCCCCCCCO)NCS(=O)(=O)O fab6696f0d2639a21af5f3dc9feb072a [0,2,0,0,0,0|2,0,0]=4 4889 B22R0.38176 C=C(Br)CNC(=O)CCCCC(O)CCCCCCCCCC bea6ca0a9c9d438d40a8d44bea6ace6b [0,2,0,0,0,0|1,0,1]=4 4890 B22R0.38176 C=C(C)CNC(=O)CCCCC(O)CCCCCCCCCC c8a0ee098ddaaaffe299ae41cc5a26ba [0,2,0,0,0,0|1,0,1]=4 4891 B22R0.38176 CCCCCCCCCCC(=O)CCCCC(=O)NCC(C)C f9ca100ad808d8d81f1d48eb3cdd4a05 [0,2,0,0,0,0|1,0,1]=4 4892 B22R0.38176 CCCCCCCCCCC(=O)CCCCC(=O)NCC(C)O 18631d5d52fd0dfdb2ab8c85d880dc7f [0,2,0,0,0,0|0,0,1]=3 4893 B22R0.38176 CCCCCCCCCCC(=O)CCCCC(=O)NCC(F)F 9b35fc96877c2f3786f7b726f55b68a8 [0,2,0,0,0,0|1,0,1]=4 4894 B22R0.38176 CCCCCCCCCCC(=O)CCCCC(=O)NC[C@@H](C)O d89157c1e02aeffdbd73ed8ec5100da1 [0,2,0,0,0,0|0,0,1]=3 4895 B22R0.38176 CCCCCCCCCCC(=O)CCCCC(=O)NC[C@H](C)O f9617a3e3daec16ac46ee46d3ecd7250 [0,2,0,0,0,0|0,0,1]=3 4896 B22R0.38176 CCCCCCCCCCC(C)OCCCC(=O)NCC(C)C 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B20R1.250 CCCCCCCCCCCCOC1CCCC(=O)C1 35258b136a3aa51364d2186943f491d6 [1,0,0,1,0,0|2,0,0]=4 4917 B20R1.250 CCCCCCCCCCCCOC1CCNC(=O)C1 6b91e127571cd56dfe230dc23e461849 [1,0,0,1,0,0|1,0,0]=3 4918 B20R1.250 CCCCCCCCCCCCO[C@@H]1CCNC(=O)C1 d2dd6fe3064701b5661a84e3858bd618 [1,0,0,1,0,0|1,0,0]=3 4919 B20R1.250 CCCCCCCCCCCCO[C@H]1CCNC(=O)C1 424b305f1f6a131a95c7b0bc10ac4616 [1,0,0,1,0,0|1,0,0]=3 4920 B20R1.250 CCCCCCCCCCCNCC1CCNC(=O)C1 81053d5506dad31504db9807f1a70754 [1,0,0,1,0,0|1,0,0]=3 4921 B20R1.250 CCCCCCCCCCCOCC1CCCC(=O)C1 b48793d3b3af5e5fe9bcfc55cce46b6a [1,0,0,1,0,0|2,0,0]=4 4922 B20R1.250 CCCCCCCCCCCOCC1CCNC(=O)C1 ee0354a835f1988afa476096478882e6 [1,0,0,1,0,0|1,0,0]=3 4923 B20R1.250 CCCCCCCCCCOCCN1CCNC(=O)C1 893e9526b82be88da9596bbe97b85838 [1,0,0,1,0,0|2,0,0]=4 4924 B20R1.250 CCCCCCCCOCCOCC1CCNC(=O)C1 10dfcf45897cf24e1ec7b8a9966b307f [1,0,0,1,0,0|2,0,0]=4 4925 B20R1.250 CCCCCCCCSCCOCC1CCNC(=O)C1 225536031967d43b4eb7370be0909734 [1,0,0,1,0,0|2,0,0]=4 4926 B20R1.250 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O=C1CN(CCN1)CCCCCCCCCCCCO 1daa58b86d81f0f6fd02cae6af723256 [1,0,0,1,0,0|2,0,0]=4 4937 B20R1.250 O=C1CN(CCN1)CCCCCCCCCCCCS 56e76df1e3041eca38eaa20f44bbfdad [1,0,0,1,0,0|2,0,0]=4 4938 B20R1.250 O=C1C[C@@H](CCN1)NCCCCCCCCCCCO 517671688244e4698c2a7ff82e54e105 [1,0,0,1,0,0|2,0,0]=4 4939 B20R1.250 O=C1C[C@@H](CCN1)NCCCCCCCCCCCS 5050b8e6667822d223a48ef009896163 [1,0,0,1,0,0|2,0,0]=4 4940 B20R1.250 O=C1C[C@@H](CCN1)OCCCCCCCCCCCS fa1938d0fcea7caa7d336a6285be01cc [1,0,0,1,0,0|2,0,0]=4 4941 B20R1.250 O=C1C[C@H](CCN1)NCCCCCCCCCCCO cf7aac61e6e8137bde201fdaef0e161d [1,0,0,1,0,0|2,0,0]=4 4942 B20R1.250 O=C1C[C@H](CCN1)NCCCCCCCCCCCS a88cc740289d57121c770fd79b05fa5c [1,0,0,1,0,0|2,0,0]=4 4943 B20R1.250 O=C1C[C@H](CCN1)OCCCCCCCCCCCS 0a002d288ea17f1ccb41c083e5d10be7 [1,0,0,1,0,0|2,0,0]=4 4944 B20R1.3363 CCCCOCCC1CCCCN1CCC(=O)NCC 749bad2c7024fa304e549903a748fab3 [1,0,0,1,0,0|2,0,0]=4 4945 B20R1.3818 CCNC(=O)CCOCCCCCCN1CCCCC1 051d01fcea8c43e76a5b267b368941d6 [1,0,0,1,0,0|2,0,0]=4 4946 B20R1.3818 CCNC(=O)CCSCCCNCCC1CCCCC1 c23667f2225675f8cbb6deeefc73e17d [1,0,0,1,0,0|2,0,0]=4 4947 B20R1.3818 CCNC(=O)CNCCCCCCCN1CCCCC1 3e61c60d6a4cea21ec9d656c762de11c [1,0,0,1,0,0|2,0,0]=4 4948 B20R1.3818 CCNC(=O)NCCCCCOCCC1CCCCC1 0e8ba32bb280208c826355a8a8f4bac9 [1,0,0,1,0,0|2,0,0]=4 4949 B20R1.3818 CCOC(=O)CCCCCCCCOC1CCCCC1 6c668322d551c230e3e901372e21a57f [1,0,0,1,0,0|2,0,0]=4 4950 B20R1.3818 CCOC(=O)CCCCCCCNCC1CCCCC1 032f8e4910b2be7b97945564644cc34a [1,0,0,1,0,0|2,0,0]=4 4951 B20R1.3818 CCOC(=O)CCCCCCCOCC1CCCCC1 7d2ee1ba603b01a6cb40cc44519ae392 [1,0,0,1,0,0|2,0,0]=4 4952 B20R1.3818 CCOC(=O)CCCCCCNCCC1CCCCC1 f943dc025b2fcf8defb70bb8744c7da6 [1,0,0,1,0,0|2,0,0]=4 4953 B20R1.3818 CCOC(=O)CCCCCCOCCC1CCCCC1 ef9c5da47aee7b5711b372b99ba0ed2e [1,0,0,1,0,0|2,0,0]=4 4954 B20R1.3818 CCOC(=O)CCCCCNCCCC1CCCCC1 104caa7d0163ea10d2769eb18594d4e9 [1,0,0,1,0,0|2,0,0]=4 4955 B20R1.3818 CCOC(=O)CCCCCOCCCC1CCCCC1 84c3718d72ff7af08c31e50ee85d384b [1,0,0,1,0,0|2,0,0]=4 4956 B20R1.3818 CCOC(=O)CCCCNCCCCC1CCCCC1 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CCCCCCCCCCOC1CCCC(=O)CCC1 30c8e40bc288abd45263d3dc5c3011b0 [1,0,0,1,0,0|2,0,0]=4 4967 B20R1.32754 CCCCCCCCCCCCCCCN1CC(C1)O 4f051448095dac7190a2c549fc4100bc [1,0,0,1,0,0|2,0,0]=4 4968 B20R1.32762 CCCCCCCCCCCOC1CCC(=O)CC1C a126c1f23eae48c57e42cd4ccf657c6a [1,0,0,1,0,0|2,0,0]=4 4969 B20R1.32762 CCCCCCCCCCCOC1CCC(=O)NC1C 9e9ef9eb6062a79e456045331262d90f [1,0,0,1,0,0|1,0,0]=3 4970 B20R1.34048 CCCCCCCCN1CCCCCC1C(=O)OCC f0de2b724ffebc5d66e0a59ec0e550bf [1,0,0,1,0,0|2,0,0]=4 4971 B20R1.35538 CCCC1CCCCC1OCCCCCC(=O)OCC b77f52dfe5a9b725c0b0aaa5df5178eb [1,0,0,1,0,0|2,0,0]=4 4972 B20R1.38730 CCNC(=O)CCSCCCNCCCC1CCCC1 fa79d3af0c58b0e952b3240dc6983a97 [1,0,0,1,0,0|2,0,0]=4 4973 B20R1.38730 CCNC(=O)NCCCCCOCCCC1CCCC1 7f4a88db0ed636946d710f30038a464e [1,0,0,1,0,0|2,0,0]=4 4974 B20R1.38730 CCOC(=O)CCCCCCCCCOC1CCCC1 da4004099e424ce92feea3571cb8d555 [1,0,0,1,0,0|2,0,0]=4 4975 B20R1.38730 CCOC(=O)CCCCCCCCNCC1CCCC1 f9604ae263e2c978399789fee6437b48 [1,0,0,1,0,0|2,0,0]=4 4976 B20R1.38730 CCOC(=O)CCCCCCCNCCC1CCCC1 7e2f6bba3136e546c66b46230bc8246e [1,0,0,1,0,0|2,0,0]=4 4977 B20R1.38730 CCOC(=O)CCCCCCCOCCC1CCCC1 7ad7715ce850ef1472b605bdb9e557ff [1,0,0,1,0,0|2,0,0]=4 4978 B20R1.38730 CCOC(=O)CCCCCCOCCCC1CCCC1 fc7400738c4cba3fd13877c9d8319889 [1,0,0,1,0,0|2,0,0]=4 4979 B20R1.38730 CCOC(=O)CCCCCNCCCCC1CCCC1 c9e44612b3a2a9816d7e09ce856b84e8 [1,0,0,1,0,0|2,0,0]=4 4980 B20R1.38754 CCOC(=O)CCCCCCCCN1CCCC1CC 5471fbc30255a8c156fb8a9619829754 [1,0,0,1,0,0|2,0,0]=4 4981 B20R1.38754 CCOC(=O)CCCCCCCCN1CCC[C@H]1CC 5dc9d55a81c85df7ecbc6079240d2407 [1,0,0,1,0,0|2,0,0]=4 4982 B20R1.38754 CCOC(=O)CCCCCCCN[C@@H]1CCC[C@H]1CC e8049305b8489dd4fc6c6ddccfdeec2f [1,0,0,1,0,0|2,0,0]=4 4983 B20R1.46864 CCOC(=O)CCCCCCCCCN1CCCC1C 6459466c5cbd6f3fdc39f0d61f9d6b8e [1,0,0,1,0,0|2,0,0]=4 4984 B20R1.46864 CCOC(=O)CCCCCCCCCN1CCC[C@@H]1C 2f4b115a063e2b70e4a64aeea433147e [1,0,0,1,0,0|2,0,0]=4 4985 B20R1.46864 CCOC(=O)CCCCCCCCCN1CCC[C@H]1C 4f6d9b06be3040f7eee97bd1bf8e6c49 [1,0,0,1,0,0|2,0,0]=4 4986 B20R1.46865 CCOC(=O)CCCCCCCCCN1CCC1CC 78a05b1896eb58c1a27454db5c85c929 [1,0,0,1,0,0|2,0,0]=4 4987 B20R1.46868 CCOC(=O)CCCCCCCCCCCNC1CC1 520816397366788d3a4fecf0e21e9d55 [1,0,0,1,0,0|2,0,0]=4 4988 B20R1.46868 CCOC(=O)CCCCCCCCCCCOC1CC1 fb518b5895dcde6ce544dfb07897cf06 [1,0,0,1,0,0|2,0,0]=4 4989 B20R1.46868 CCOC(=O)CCCCCCCCCCNCC1CC1 c4c83a98a493c072dc460c0d15b0b017 [1,0,0,1,0,0|2,0,0]=4 4990 B20R1.46868 CCOC(=O)CCCCCCCCCNCCC1CC1 daed4142d6c2cc099451317282328dd5 [1,0,0,1,0,0|2,0,0]=4 4991 B20R1.46868 CCOC(=O)CCCCCCCCCOCCC1CC1 45ff79781e7aea41b446648c84da419c [1,0,0,1,0,0|2,0,0]=4 4992 B20R1.46868 CCOC(=O)CCCCCCCCOCCCC1CC1 773cbc2d3b8491d61fc9fa7d1eeeb64e [1,0,0,1,0,0|2,0,0]=4 4993 B20R1.46876 CCOC(=O)CCCCCCCCCN[C@@H]1CC[C@H]1C 1cd81d27f3468a57079c0c0aba6bbaa2 [1,0,0,1,0,0|2,0,0]=4 4994 B20R1.46876 CCOC(=O)CCCCCCCCCN[C@H]1CC[C@H]1C 6ee8c25a22d766b6222451b0f5af304b [1,0,0,1,0,0|2,0,0]=4 4995 B20R1.47146 CCOC(=O)CCCOC1CCCCCCCCCC1 0f683edba87b506542356d4af30f9b5a [1,0,0,1,0,0|2,0,0]=4 4996 B20R1.47820 CCOC(=O)CCCCCCCN1CCCCC1CC d3c0136eeadf1a076e43420c785cecfd [1,0,0,1,0,0|2,0,0]=4 4997 B20R1.47820 CCOC(=O)CCCCCCCN1CCCC[C@@H]1CC c91afeef0303b586f7f07140abce17f3 [1,0,0,1,0,0|2,0,0]=4 4998 B20R1.47820 CCOC(=O)CCCCCCCN1CCCC[C@H]1CC 9abb9620ce003bb18f6a010dd4231af8 [1,0,0,1,0,0|2,0,0]=4 4999 B20R1.47820 CCOC(=O)CCCCCCOC1CCCCC1CC 6a7597e50af23857782278516da7f478 [1,0,0,1,0,0|2,0,0]=4 5000 B20R1.49331 CCNC(=O)CCNC1CCCCCCCCCCC1 b589148d63a91e7828c209eff480cf60 [1,0,0,1,0,0|1,0,0]=3 5001 B20R1.49331 CCNC(=O)CCOC1CCCCCCCCCCC1 74ec7b16fe96b159203f5e2698f2c5c3 [1,0,0,1,0,0|1,0,0]=3 5002 B20R1.49331 CCOC(=O)CCNC1CCCCCCCCCCC1 0c9c52d91accf0614fc17fe78c9d3895 [1,0,0,1,0,0|2,0,0]=4 5003 B20R1.49331 CCOC(=O)CCOC1CCCCCCCCCCC1 0a5d62e959aa8e061836b22096bab3bb [1,0,0,1,0,0|2,0,0]=4 5004 B20R1.49365 CCOC(=O)CCCCCCCN[C@H]1CCCC[C@H]1C d4a7afa76c64285a94c5cc12d90b041b [1,0,0,1,0,0|2,0,0]=4 5005 B20R1.49365 CCOC(=O)CCCCCCCOC1CCCCC1C 3b2c346a527ed847f60dcbdcc06c8caf [1,0,0,1,0,0|2,0,0]=4 5006 B20R1.49365 CCOC(=O)CCCCCCCO[C@@H]1CCCC[C@@H]1C d7f30b521ed5c347823d3405eec4eb08 [1,0,0,1,0,0|2,0,0]=4 5007 B20R1.49365 CCOC(=O)CCCCCCCO[C@H]1CCCC[C@@H]1C dcba139f0d361eed7da3147f29381f20 [1,0,0,1,0,0|2,0,0]=4 5008 B20R1.49365 CCOC(=O)CCCCCCCO[C@H]1CCCC[C@H]1C b37b7eb2035c603573b3dfa0d1450e97 [1,0,0,1,0,0|2,0,0]=4 5009 B20R1.49369 CCOC(=O)CCCCCCCCCCNC1CC1C 234e02f176cfa393712842915a323ea2 [1,0,0,1,0,0|2,0,0]=4 5010 B20R1.49370 CCOC(=O)CCCCCCCCCCNC1CCC1 aea4ce04eb3c47c617537c0029f09b90 [1,0,0,1,0,0|2,0,0]=4 5011 B20R1.49370 CCOC(=O)CCCCCCCCCCOC1CCC1 f1341c1844fd637ddd8c8b422ee29871 [1,0,0,1,0,0|2,0,0]=4 5012 B20R1.49370 CCOC(=O)CCCCCCCCOCCC1CCC1 d0e6f2baa30e5f357c6af88b2b64a629 [1,0,0,1,0,0|2,0,0]=4 5013 B20R1.59070 CCCCCCCCCN1CCCCC1C(=O)OCC 6f1dc737366864a98340a0bfbab932ce [1,0,0,1,0,0|2,0,0]=4 5014 B20R1.59070 CCCCCCCCCN1CCCC[C@@H]1C(=O)OCC 67dcfaa9090e3d8d5632ffe5bf8cc802 [1,0,0,1,0,0|2,0,0]=4 5015 B20R1.59070 CCCCCCCCCN1CCCC[C@H]1C(=O)OCC cf105d1fb4de098140d6a4b0fe14ec55 [1,0,0,1,0,0|2,0,0]=4 5016 B20R1.59070 CCCCCCCCNC1CCCCC1C(=O)OCC d77a20a8c1d0d23d70fd4980ea245e2b [1,0,0,1,0,0|2,0,0]=4 5017 B20R1.59070 CCCCCCCCN[C@H]1CCCC[C@H]1C(=O)OCC 90817f46ec4ea639b081a977cb1e4e04 [1,0,0,1,0,0|2,0,0]=4 5018 B20R1.59070 CCCCCCCCOC1CCCCC1C(=O)OCC 71a76461040fde6bcb02f8835680dda4 [1,0,0,1,0,0|2,0,0]=4 5019 B20R1.59070 CCCCCCCCO[C@@H]1CCCC[C@H]1C(=O)OCC 591dc41f391e1fbb5dba3ec9555edc17 [1,0,0,1,0,0|2,0,0]=4 5020 B20R1.59070 CCCCCCCCO[C@H]1CCCC[C@H]1C(=O)OCC ec6311bf4f6b0f309d4896f6cdc63a26 [1,0,0,1,0,0|2,0,0]=4 5021 B20R1.59070 CCCCCCCOCC1CCCCN1C(=O)NCC f9e68e31ed8b0e9b7ddf673dbfcac240 [1,0,0,1,0,0|2,0,0]=4 5022 B20R1.59070 CCCCCCOCCC1CCCCN1C(=O)NCC 257855925306f9fe6a93d271ee2d4d86 [1,0,0,1,0,0|2,0,0]=4 5023 B20R1.61084 CCCCC1CCCC1NCCCCCC(=O)OCC b78d722f925d0a9f4a63d8d19c2ad4e2 [1,0,0,1,0,0|2,0,0]=4 5024 B20R1.61084 CCCCC1CCCN1CCCCCCC(=O)OCC e715b23a3933de82c48f94dfbc2048d0 [1,0,0,1,0,0|2,0,0]=4 5025 B20R1.66753 CCCCCCCCCCN1CCCC1C(=O)NCC 6454b0b1eb87d5aebf3539809dc185c8 [1,0,0,1,0,0|1,0,0]=3 5026 B20R1.66753 CCCCCCCCCCN1CCCC1C(=O)OCC feaeec5b41c7c78e45aefddf7c12a21e [1,0,0,1,0,0|2,0,0]=4 5027 B20R1.66753 CCCCCCCCCCN1CCC[C@@H]1C(=O)OCC 9fa0102e17c8a0f1b45816af08165718 [1,0,0,1,0,0|2,0,0]=4 5028 B20R1.66753 CCCCCCCCCN[C@@H]1CCC[C@@H]1C(=O)OCC 9ce09bd4ea1be1d26f677a9b595bbe7b [1,0,0,1,0,0|2,0,0]=4 5029 B20R1.66753 CCCCCCCCCN[C@@H]1CCC[C@H]1C(=O)OCC dcc71cf60dbc017f23a427e627fadd90 [1,0,0,1,0,0|2,0,0]=4 5030 B20R1.66753 CCCCCCCCCN[C@H]1CCC[C@@H]1C(=O)OCC 3d39c943a9a70a67b1688766df78a7e3 [1,0,0,1,0,0|2,0,0]=4 5031 B20R1.66753 CCCCCCCCCN[C@H]1CCC[C@H]1C(=O)OCC 2e3f8bd8f04bdcf786c9d8f6cfebc6c7 [1,0,0,1,0,0|2,0,0]=4 5032 B20R1.66753 CCCCCCCCCOC1CCCC1C(=O)OCC fa9e14a82e1067df5c5fb46f88ceaef9 [1,0,0,1,0,0|2,0,0]=4 5033 B20R1.66753 CCCCCCCCCO[C@@H]1CCC[C@H]1C(=O)OCC 6e3f6ed74a8fc38d13e2472c502d0923 [1,0,0,1,0,0|2,0,0]=4 5034 B20R1.66753 CCCCCCCCCO[C@H]1CCC[C@H]1C(=O)OCC 59a4bdc638c6f9aff51ac325a2ca821d [1,0,0,1,0,0|2,0,0]=4 5035 B20R1.66753 CCCCCCCCOCN1CCCC1C(=O)NCC 782d889b21296f9d24a8fdac409af15c [1,0,0,1,0,0|2,0,0]=4 5036 B20R1.66753 CCNC(=O)C1CCCN1CCCCCCCCCO 303d0d224af5f61bd4b207ac8f1c4251 [1,0,0,1,0,0|2,0,0]=4 5037 B20R1.67690 CCCCCCCCC1CCCCN1CC(=O)CCC 7955dff0dc1ffb0d49be8e63ca2890b1 [1,0,0,1,0,0|2,0,0]=4 5038 B20R1.67690 CCCCCCCCC1CCCCN1CC(=O)NCC de52735caa87132751f2f10de8a3622f [1,0,0,1,0,0|1,0,0]=3 5039 B20R1.67690 CCCCCCCCC1CCCCN1CC(=O)NCO 3b0a3ef3f654c1904aee7d04318a9c73 [1,0,0,1,0,0|1,0,0]=3 5040 B20R1.67690 CCCCCCCCC1CCCCN1CC(=O)OCC 6434921b239deb1c0f62e90d3f7fef84 [1,0,0,1,0,0|2,0,0]=4 5041 B20R1.67690 CCCCCCCCN1CCCCC1CC(=O)OCC 64e07b5e39f27e7970217ebca281b6a0 [1,0,0,1,0,0|2,0,0]=4 5042 B20R1.68457 CCCCCC1CCCC1OCCCCC(=O)OCC 09601d07c7fec536042a80515446bb5a [1,0,0,1,0,0|2,0,0]=4 5043 B20R1.88666 CCCCCCCCCCCN[C@@H]1C[C@@H]1C(=O)OCC c4e69223d90bf22d65638c7dbc9bd79f [1,0,0,1,0,0|2,0,0]=4 5044 B20R1.88666 CCCCCCCCCCCN[C@H]1C[C@H]1C(=O)OCC 37a14e1f9da306e86d7df64dbee6ccf7 [1,0,0,1,0,0|2,0,0]=4 5045 B20R1.88666 CCCCCCCCCCCO[C@@H]1C[C@@H]1C(=O)OCC 7f9a7f37140d832f935888ca5882bb28 [1,0,0,1,0,0|2,0,0]=4 5046 B20R1.88666 CCCCCCCCCCCO[C@H]1C[C@H]1C(=O)OCC 016d9f73b96a4695eff3b6055ecd69f8 [1,0,0,1,0,0|2,0,0]=4 5047 B20R1.88666 CCCCCCCCCCNCC1CC1C(=O)OCC 3086be8481f3fd2e242217609e5580d7 [1,0,0,1,0,0|2,0,0]=4 5048 B20R1.88666 CCCCCCCCCCNC[C@@H]1C[C@@H]1C(=O)OCC e0d352d6ed007d72c81e7a1de665bfae [1,0,0,1,0,0|2,0,0]=4 5049 B20R1.88666 CCCCCCCCCCNC[C@H]1C[C@H]1C(=O)OCC 7c65d505b91614d8c1681e07c14b548d [1,0,0,1,0,0|2,0,0]=4 5050 B20R1.88666 CCCCCCCCCCOCC1CC1C(=O)OCC 5d6318a479fad11f5fa91771c2a46fb2 [1,0,0,1,0,0|2,0,0]=4 5051 B20R1.88666 CCCCCCCCCCOC[C@@H]1C[C@@H]1C(=O)OCC 450c483de557d139b13eb8a40739d409 [1,0,0,1,0,0|2,0,0]=4 5052 B20R1.88666 CCCCCCCCCCOC[C@@H]1C[C@H]1C(=O)OCC 703d0e4e4e27ac52f5ba47ccd4077f61 [1,0,0,1,0,0|2,0,0]=4 5053 B20R1.88666 CCCCCCCCCCOC[C@H]1C[C@@H]1C(=O)OCC 7c74486353174b697933a8d4990c3acb [1,0,0,1,0,0|2,0,0]=4 5054 B20R1.88666 CCCCCCCCCCOC[C@H]1C[C@H]1C(=O)OCC 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7c5c9df2b7e099dc500a0ed8cb4aed2a [1,0,0,1,0,0|2,0,0]=4 5065 B20R1.439907 O=C1CCN(CCN1)CCCCCCCCCCCO ffbf6be70f2938652c6f5c30f1d63a58 [1,0,0,1,0,0|2,0,0]=4 5066 B20R1.439907 O=C1CCN(CCN1)CCCCCCCCCCCS 500a8bd83d401dfdf525a8bf6636828e [1,0,0,1,0,0|2,0,0]=4 5067 B20R1.560599 CCOC(=O)CCCCCCOC1CCCCCCC1 0e6d402024fa2361d24e0a9f246ace22 [1,0,0,1,0,0|2,0,0]=4 5068 B20R1.560599 CCOC(=O)CCCCCOCC1CCCCCCC1 d36e36106b48f0ca0733e6c8bca3f241 [1,0,0,1,0,0|2,0,0]=4 5069 B20R1.560599 CCOC(=O)CCCCNCCC1CCCCCCC1 818ce2ce4b049f05832c29f997f59824 [1,0,0,1,0,0|2,0,0]=4 5070 B20R1.566526 CCNC(=O)CCSCCCNCC1CCCCCC1 682044487437724df350013f10433422 [1,0,0,1,0,0|2,0,0]=4 5071 B20R1.566526 CCNC(=O)CNCCCCCCN1CCCCCC1 b97d7a40ade2642aabf30395d8af815c [1,0,0,1,0,0|2,0,0]=4 5072 B20R1.566526 CCNC(=O)NCCCCCOCC1CCCCCC1 48c70e9c0da11d64635c4e802b8e3263 [1,0,0,1,0,0|2,0,0]=4 5073 B20R1.566526 CCOC(=O)CCCCCCCNC1CCCCCC1 84fdb2c7f46274e96a1159a6bfbc405e [1,0,0,1,0,0|2,0,0]=4 5074 B20R1.566526 CCOC(=O)CCCCCCCOC1CCCCCC1 325a060d13dc92e0326dcd5196612f89 [1,0,0,1,0,0|2,0,0]=4 5075 B20R1.566526 CCOC(=O)CCCCCCNCC1CCCCCC1 1de1d9a268ecf7aac49fd97e29fbdd22 [1,0,0,1,0,0|2,0,0]=4 5076 B20R1.566526 CCOC(=O)CCCCCCOCC1CCCCCC1 d2f5a1213ff73e7bf75d39a75a07b30b [1,0,0,1,0,0|2,0,0]=4 5077 B20R1.566526 CCOC(=O)CCCCCNCCC1CCCCCC1 396929aeb769a3cf856b1dac66092ee0 [1,0,0,1,0,0|2,0,0]=4 5078 B20R1.566526 O=C(CNCCCCCCN1CCCCCC1)NCO 0faa35fb59172ecfd8a37b67da79d548 [1,0,0,1,0,0|2,0,0]=4 5079 B20R1.660196 CCCCCCC1CCCCCN1CCC(=O)NCC 832839a403f81cf16868126419b937df [1,0,0,1,0,0|1,0,0]=3 5080 B20R1.660196 CCCCCCC1CCCCCN1CCC(=O)OCC 66933325e943d01ec0b80d933fba5196 [1,0,0,1,0,0|2,0,0]=4 5081 B20R1.3890 CCCNC(=O)CCCNCCCCC1CCCCC1 cd75bea4dcaf6ce49c33f982498c3e1f [1,0,0,1,0,0|2,0,0]=4 5082 B20R1.3890 CCCNC(=O)CCCOCCCCC1CCCCC1 0657d98a0adba0dfc345971e596edb0a [1,0,0,1,0,0|2,0,0]=4 5083 B20R1.3890 O=C(NCCO)NCCCCCCCN1CCCCC1 6daf81ccc2714265acb520b00bb8ec39 [1,0,0,1,0,0|2,0,0]=4 5084 B20R1.4518 CCCCCCCCCCCN1CCC(=O)CC1CO 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7be9cda98d0bd459683489f50a2fe5b4 [1,0,0,1,0,0|2,0,0]=4 5105 B20R1.202095 CCCCCCCCCCCNCCC(=O)N1CCC1 6c37a9dbe317d9d5a880f75a6dbefc1c [1,0,0,1,0,0|2,0,0]=4 5106 B20R1.202095 CCCCCCCCCCCOCCC(=O)N1CCC1 941544f86a674dba83660241e62b1b34 [1,0,0,1,0,0|2,0,0]=4 5107 B20R1.202095 O=C(CCCCCCCCCCCCCO)N1CCC1 0adce3b043d74df3e30216871d92fb9f [1,0,0,1,0,0|2,0,0]=4 5108 B20R1.202095 O=C(CCCCCCCCCCCCCS)N1CCC1 11bd47a24f6c640f1d4556f6a9c47d63 [1,0,0,1,0,0|2,0,0]=4 5109 B20R1.202097 CCCCCCCCCCCCCCC(=O)NC1CC1 ccabf4d1d21774a550bbaea9d6a706da [1,0,0,1,0,0|1,0,0]=3 5110 B20R1.202097 CCCCCCCCCCCCCNC(=O)NC1CC1 d3e7651502085ac2d6f7a65376748c54 [1,0,0,1,0,0|2,0,0]=4 5111 B20R1.202097 CCCCCCCCCCCCNCC(=O)NC1CC1 68971a1cc2046d9e3de37f9e7822442d [1,0,0,1,0,0|2,0,0]=4 5112 B20R1.202097 CCCCCCCCCCCCOCC(=O)NC1CC1 6bb84b08546989bb161b05bb32480e1a [1,0,0,1,0,0|2,0,0]=4 5113 B20R1.202097 CCCCCCCCCCCNCCC(=O)NC1CC1 c77d6ac5f9a2b2b51cd523ed586e38da [1,0,0,1,0,0|2,0,0]=4 5114 B20R1.202097 CCCCCCCCCCCOCCC(=O)NC1CC1 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CCCCCCCCCCCCN1CCCNC(=O)C1 8c17f7306bd6cd5f2c81f77cb27ee437 [1,0,0,1,0,0|2,0,0]=4 5125 B20R1.439906 CCCCCCCCCCCOC1CCCNC(=O)C1 a3e1c6200581fb14d762ee96f4ec9c6d [1,0,0,1,0,0|2,0,0]=4 5126 B20R1.795050 CCCNC(=O)CCCNCCC1CCCCCCC1 9c9f175adfb0c3e00dc5977f0d686b6f [1,0,0,1,0,0|2,0,0]=4 5127 B20R1.797277 O=C(NCCO)NCCCCCCN1CCCCCC1 309d262ed75a7819de61711626084029 [1,0,0,1,0,0|2,0,0]=4 5128 B22R1.1187164 CCCC(=O)CCCCCCCCCCCC(=O)N1CCC1 f54a48e2740075d7da7c786b0bf12d53 [0,1,0,1,0,0|1,0,1]=4 5129 B22R1.1187164 CCCC(O)CCCCCCCCCCCC(=O)N1CCC1 d2ee6cd5513d77e9ee739019123392b8 [0,1,0,1,0,0|1,0,0]=3 5130 B22R1.1187166 CCCC(=O)CCCCCCCCCCCC(=O)NC1CC1 38f231d8f53914627b936f8ca82036eb [0,1,0,1,0,0|1,0,1]=4 5131 B22R1.1187166 CCCC(O)CCCCCCCCCCCC(=O)NC1CC1 bc86dc6011b0870d4dd597605e1948d8 [0,1,0,1,0,0|1,0,0]=3 5132 B22R1.3272 CCCCCCCCCCCCCNC1CCCCNC1=O 88e960db0324d4f701c1b269fd0e09a4 [0,1,0,1,0,0|2,0,0]=4 5133 B22R1.3272 CCCCCCCCCCCCCN[C@@H]1CCCCNC1=O bcafb35c035cbaa8895d85478e9b00c1 [0,1,0,1,0,0|2,0,0]=4 5134 B22R1.3272 CCCCCCCCCCCCCN[C@H]1CCCCNC1=O 2750858c91acc18179c2bc9436c4eae9 [0,1,0,1,0,0|2,0,0]=4 5135 B22R1.3272 CCCCCCCCCCCCCOC1CCCCNC1=O 2bd272e56f79ec14810027bd7b69a3d4 [0,1,0,1,0,0|2,0,0]=4 5136 B22R1.3322 CCCCCCCCCCCCCCCC(=O)N1CC=CC1 0e1f7f9aa4e7841a13f318608eddd6fb [0,1,0,1,0,0|1,0,1]=4 5137 B22R1.3322 CCCCCCCCCCCCCCNC(=O)C1=COCC1 289c512e0f5344e6c91ca2088a86866a [0,1,0,1,0,0|2,0,0]=4 5138 B22R1.3322 CCCCCCCCCCCCCCNC(=O)C1CCCO1 ab705baedd584bdd62359fa68e7759f5 [0,1,0,1,0,0|2,0,0]=4 5139 B22R1.3322 CCCCCCCCCCCCCCNC(=O)N1CCNC1 1388361665a44765dbdbb2c16bad7e13 [0,1,0,1,0,0|2,0,0]=4 5140 B22R1.3322 CCCCCCCCCCCCCCNC(=O)N1CCSC1 894ce03e5035a5f2032499a081cb242f [0,1,0,1,0,0|1,1,0]=4 5141 B22R1.3322 CCCCCCCCCCCCCCNC(=O)[C@@H]1CCCO1 9f0ca809f223430b711458a616900ad1 [0,1,0,1,0,0|2,0,0]=4 5142 B22R1.3322 CCCCCCCCCCCCCCNC(=O)[C@H]1CCCO1 ae87b62876a44c764b5412cde1ef8170 [0,1,0,1,0,0|2,0,0]=4 5143 B22R1.3322 CCCCCCCCCCCCCNCC(=O)N1CCCC1 c294664bf78629831d9086e9b2717292 [0,1,0,1,0,0|2,0,0]=4 5144 B22R1.3322 CCCCCCCCCCCCCOCC(=O)N1CCCC1 8abff1fdeb79b189288424642f750d0a [0,1,0,1,0,0|2,0,0]=4 5145 B22R1.3322 CCCCCCCCCCCCNCCC(=O)N1CCCC1 f1fea457b8b3780138742e1ce2ad006d [0,1,0,1,0,0|2,0,0]=4 5146 B22R1.3322 CCCCCCCCCCCCOCCC(=O)N1CCCC1 40f9bac1f34de9db2571aa9501006c65 [0,1,0,1,0,0|2,0,0]=4 5147 B22R1.3322 CCCCCCCCCCCCSCCC(=O)N1CCSC1 b90b6705f9bcd184e1f95468157f81a5 [0,1,0,1,0,0|1,1,0]=4 5148 B22R1.3322 O=C(CCCCCCCCCCCCCCO)N1CCSC1 9c560561dd21acdef3eed54168b9ad7b [0,1,0,1,0,0|1,1,0]=4 5149 B22R1.4417 COCCNC(=O)CNCCCCCCCN1CCCCC1 4a66c1a4fde38571716446969f59e84a [0,1,0,1,0,0|2,0,0]=4 5150 B22R1.4417 COCCOC(=O)CCCCCOCCCC1CCCCC1 bb13fd6dc449afc62ba501b912558f6b [0,1,0,1,0,0|2,0,0]=4 5151 B22R1.101498 COCCNC(=O)CCC1CCCCCCCCCCC1=O 9b8038ea93d48b1dceb3afb01fe5b60f [0,1,0,1,0,0|1,0,1]=4 5152 B22R1.101498 NOCCNC(=O)CCC1CCCCCCCCCCC1=O 59858d00f0273b50b1eea46198120582 [0,1,0,1,0,0|1,0,1]=4 5153 B22R1.101498 O=C(CCC1CCCCCCCCCCC1=O)NCCCO 75d2e0e79ab2786092ad1ceb54896dd6 [0,1,0,1,0,0|1,0,1]=4 5154 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CCCCCCCCCCCCCCNC(=O)N[C@H]1C[C@H]1F 3efe2e279658ad11df9579ef4e70dc87 [0,1,0,1,0,0|2,0,0]=4 5164 B22R1.183555 CCCCCCCCCCCCCCNC(=O)N[C@H]1C[C@H]1N 2042a0d4ac7c4ff43e8f93ef55b7e515 [0,1,0,1,0,0|2,0,0]=4 5165 B22R1.183555 CCCCCCCCCCCCSCCC(=O)NC1CC1C bac8f8ff0d9a0e3bab6eb130105c3c44 [0,1,0,1,0,0|2,0,0]=4 5166 B22R1.183555 CCCCCCCCCCCCSCCC(=O)N[C@@H]1C[C@H]1F c1e221b8f56db2b8cf478067c2de9afb [0,1,0,1,0,0|2,0,0]=4 5167 B22R1.183555 CCCCCCCCCCCCSCCC(=O)N[C@H]1C[C@@H]1F 97436f2d50e4b1e19c2530169cc00691 [0,1,0,1,0,0|2,0,0]=4 5168 B22R1.183555 CCCCCCCCCCCCSCCC(=O)N[C@H]1C[C@H]1F bc99e061fba135cb67005f2165f11ee6 [0,1,0,1,0,0|2,0,0]=4 5169 B22R1.183555 O=C(CCCCCCCCCCCCCCO)N[C@@H]1C[C@H]1F f60297f6a94eecbec1f809f0cc23f90d [0,1,0,1,0,0|2,0,0]=4 5170 B22R1.183555 O=C(CCCCCCCCCCCCCCO)N[C@H]1C[C@@H]1F 46d2836efbe0569d5a78f6779d3b7c88 [0,1,0,1,0,0|2,0,0]=4 5171 B22R1.183555 O=C(CCCCCCCCCCCCCCO)N[C@H]1C[C@H]1F d3360bce87a94cf0cd1b09b05e7c96ee [0,1,0,1,0,0|2,0,0]=4 5172 B22R1.183556 C#CCCCCCCCCCCCCCC(=O)NC1COC1 07a5d334943da141789c46c5e4bd3fdd [0,1,0,1,0,0|0,0,2]=4 5173 B22R1.183556 C=CCCCCCCCCCCCCCC(=O)NC1COC1 62585a349da49bb495a967ce9c3735a7 [0,1,0,1,0,0|0,0,2]=4 5174 B22R1.183556 CCCCCC/C=C/CCCCCCCC(=O)NC1COC1 f72115a7b42113d7b2770d5a13afae37 [0,1,0,1,0,0|0,0,2]=4 5175 B22R1.183556 CCCCCC/C=C\CCCCCCCC(=O)NC1COC1 2eb8e59a9586b92241bfbea4993f469f [0,1,0,1,0,0|0,0,2]=4 5176 B22R1.183556 CCCCCCC=CCCCCCCCC(=O)NC1COC1 f2788192dfce18e235f41cc25f96b356 [0,1,0,1,0,0|0,0,2]=4 5177 B22R1.183556 CCCCCCCCC/C=C\CCCCC(=O)NC1COC1 ac702b79c04b8ed99cf6adfa94a4ac91 [0,1,0,1,0,0|0,0,2]=4 5178 B22R1.183556 CCCCCCCCCCCC/C=C/CC(=O)NC1COC1 6b087f4abe110fca20d2f42f6dddc8d5 [0,1,0,1,0,0|0,0,2]=4 5179 B22R1.183556 CCCCCCCCCCCCC/C=C/C(=O)NC1COC1 66bdd9f0cfae05f1a27e0174d1d8bb16 [0,1,0,1,0,0|0,0,2]=4 5180 B22R1.183556 CCCCCCCCCCCCCCCC(=O)NC1COC1 d4af51b9dd8f0fe257046fd992a97f1a [0,1,0,1,0,0|0,0,0]=2 5181 B22R1.183556 CCCCCCCCCCCCCCNC(=O)CC1CCO1 c422d6e574f02108ced123500ebd52c6 [0,1,0,1,0,0|2,0,0]=4 5182 B22R1.183556 CCCCCCCCCCCCCCNC(=O)CC1COC1 59f10ff0e35e2d6d027bf63484844c3b [0,1,0,1,0,0|2,0,0]=4 5183 B22R1.183556 CCCCCCCCCCCCCCNC(=O)CN1CCC1 1f98ad5317c7471aa5855245ab09d1f0 [0,1,0,1,0,0|2,0,0]=4 5184 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1CCC1 738bee2c41fc8ad0b1e05c4890486707 [0,1,0,1,0,0|2,0,0]=4 5185 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1COC1 91f50052546ed075b63e48c260f56de7 [0,1,0,1,0,0|1,0,0]=3 5186 B22R1.183556 CCCCCCCCCCCCCCNC(=S)NC1COC1 fc51233b416a356e955e0b31119f0715 [0,1,0,1,0,0|1,1,0]=4 5187 B22R1.183556 CCCCCCCCCCCCCNCC(=O)NC1CCC1 9db96b1304167d9ceb1f77869a2ac4de [0,1,0,1,0,0|2,0,0]=4 5188 B22R1.183556 CCCCCCCCCCCCSCCC(=O)NC1CCC1 f4db08ea0385dd2f480db7c4bb3bdc6d [0,1,0,1,0,0|2,0,0]=4 5189 B22R1.183556 CCCCCCCCCCCCSCCC(=O)NC1COC1 1c028ff8c5cc34482b6fd6ea85988e03 [0,1,0,1,0,0|1,0,0]=3 5190 B22R1.183556 O=C(CCCCCCCCCCCCCCO)NC1CCC1 2fa69865c5408fe8a2c34fb655df6b3d [0,1,0,1,0,0|2,0,0]=4 5191 B22R1.183556 O=C(CCCCCCCCCCCCCCO)NC1COC1 33c93110d4a79a9d1f903d7af2ec0b20 [0,1,0,1,0,0|1,0,0]=3 5192 B22R1.183556 O=C(NCCCCCCCCCCCCCO)NC1COC1 a570a7baf8495eae45d7ad22365f8b93 [0,1,0,1,0,0|2,0,0]=4 5193 B22R1.183556 O=CCCCCCCCCCCCCCC(=O)NC1COC1 aa8d66d3b2be6555f0bd2601ad1606d6 [0,1,0,1,0,0|1,0,1]=4 5194 B22R1.183557 CCCCCCCCCCCCCCCC(=O)NCC1CC1 943bab30e70ebedcf92fcc57a6e8ecf5 [0,1,0,1,0,0|1,0,0]=3 5195 B22R1.183557 CCCCCCCCCCCCCCNC(=O)NCC1CC1 8a4d40e3047e46f7e47badd4d3c25d40 [0,1,0,1,0,0|2,0,0]=4 5196 B22R1.183557 CCCCCCCCCCCCCNCC(=O)NCC1CC1 eeb307ae090e26fbee71304dd852289a [0,1,0,1,0,0|2,0,0]=4 5197 B22R1.183557 CCCCCCCCCCCCCOCC(=O)NCC1CC1 7b8f6783a70c2cfcbab3f63b56fd7a90 [0,1,0,1,0,0|2,0,0]=4 5198 B22R1.183557 CCCCCCCCCCCCSCCC(=O)NCC1CC1 e7b4598bc905529375faf7f234e1acb9 [0,1,0,1,0,0|2,0,0]=4 5199 B22R1.183557 O=C(CCCCCCCCCCCCCCO)NCC1CC1 81da7446f1a694f00285aef98755ec98 [0,1,0,1,0,0|2,0,0]=4 5200 B22R1.328315 CCCCCCCCC1CCCCN1CC(=O)NCCC#N d2be0560f14514863aa6004f3a95549d [0,1,0,1,0,0|2,0,0]=4 5201 B22R1.328315 CCCCCCCCC1CCCCN1CC(=O)NCCCC 9f7471f6fe1731f22989d7c10f9276d0 [0,1,0,1,0,0|2,0,0]=4 5202 B22R1.328315 CCCCCCCCC1CCCCN1CC(=O)NCCOC 7211f7968ab65bfb95645e666be1b5fa [0,1,0,1,0,0|1,0,0]=3 5203 B22R1.328315 CCCCCCCCC1CCCCN1CC(=O)OCCOC 42259633dcb4b5e7a33567ac93e3e248 [0,1,0,1,0,0|2,0,0]=4 5204 B22R1.540322 CCCCCCCCCN1CCCC[C@H]1C(=O)NCCCC 00c069f8b3a0ba46e3f8fca2012f66f8 [0,1,0,1,0,0|2,0,0]=4 5205 B22R1.1629668 CCCCCCCCCCN1CCCC1C(=O)NCCOC 1606ca61752bcc6c71da10fbf43f1e13 [0,1,0,1,0,0|1,0,0]=3 5206 B22R1.1629668 CCCCCCCCOCN1CCCC1C(=O)NCCOC 4e9eec8f40225946dde83db1917a53c7 [0,1,0,1,0,0|2,0,0]=4 5207 B22R1.1629668 COCCNC(=O)C1CCCN1CCCCCCCCCO 1fd74655584e71757b76b65411939deb [0,1,0,1,0,0|2,0,0]=4 5208 B22R1.1948018 COCCNC(=O)CNCCCCCCN1CCCCCC1 dd423acc56fc749d80354ee140bb2180 [0,1,0,1,0,0|2,0,0]=4 5209 B22R1.9204 CCCNC(=O)CCCCCCCCCCN1CCOCC1 1c65234b6c734bc7e6056856f2c99aa0 [0,1,0,1,0,0|2,0,0]=4 5210 B22R1.9204 CCCNC(=O)CCCOCCCCCCN1CCCCC1 1c91ba0f4bee1fad65a73f2d79c1644d [0,1,0,1,0,0|2,0,0]=4 5211 B22R1.9204 O=C(CCCCCCCCCCN1CCOCC1)NCCBr be89f26ad808e1f7214a684635725448 [0,1,0,1,0,0|2,0,0]=4 5212 B22R1.9204 O=C(CCCCCCCCCCN1CCOCC1)NCCF a709c39d7503029cf4fe1a2f10592e93 [0,1,0,1,0,0|2,0,0]=4 5213 B22R1.9204 O=C(CCCCCCCCCCN1CCOCC1)NCCI f5e7f81ecc9bbe1d663d3618b10a8017 [0,1,0,1,0,0|2,0,0]=4 5214 B22R1.9204 O=C(CCCCCCCCCCN1CCOCC1)NCCO 0045e9132be209b7ec2ed69a99721c47 [0,1,0,1,0,0|1,0,0]=3 5215 B22R1.9204 O=C(CCCCCCCCCCN1CCOCC1)NCCS 1654b9698fca1aabe0b9c58385e0206e [0,1,0,1,0,0|1,1,0]=4 5216 B22R1.9204 O=C(CNCCCCCCCOC1CCCCO1)NCCO e20307d694e0fc771aa510423c904afa [0,1,0,1,0,0|2,0,0]=4 5217 B22R1.18042 CCCCCCCCCCCCCCNC1CCCCC1=O 738cb40f84b311787bb5b771c827b757 [0,1,0,1,0,0|2,0,0]=4 5218 B22R1.18042 CCCCCCCCCCCCCCNC1CCCNC1=O 409e621a493135dda302fcbb7bd40851 [0,1,0,1,0,0|1,0,0]=3 5219 B22R1.18042 CCCCCCCCCCCCCCNC1SCCCC1=O 7261ffb92273cb2f3866b9d6364d98c5 [0,1,0,1,0,0|1,1,0]=4 5220 B22R1.18042 CCCCCCCCCCCCCCN[C@@H]1CCCNC1=O da19ab52ec4dc6c45710c2891676e93c [0,1,0,1,0,0|1,0,0]=3 5221 B22R1.18042 CCCCCCCCCCCCCCN[C@H]1CCCNC1=O 8e0c0be078fef692513e34a86582060f [0,1,0,1,0,0|1,0,0]=3 5222 B22R1.18042 CCCCCCCCCCCCCCOC1CCCNC1=O 8807e1f58a8400fb8423ef80fc76279f [0,1,0,1,0,0|1,0,0]=3 5223 B22R1.18042 CCCCCCCCCCCCCCOC1CCCOC1=O b9fecea8f76c8f1aad53afff5bbd7b4a [0,1,0,1,0,0|2,0,0]=4 5224 B22R1.18042 CCCCCCCCCCCCCCO[C@@H]1CCCNC1=O b0d16e91c46cdc917f3c69f252d39a30 [0,1,0,1,0,0|1,0,0]=3 5225 B22R1.18042 CCCCCCCCCCCCCCO[C@H]1CCCNC1=O ee5236feeb3ae0af30c698c50b52f881 [0,1,0,1,0,0|1,0,0]=3 5226 B22R1.18042 CCCCCCCCCCCCCOCC1CCCNC1=O 8caf90cca59bb811b28faae519709548 [0,1,0,1,0,0|1,0,0]=3 5227 B22R1.18042 CCCCCCCCCCCOCCOC1CCCNC1=O 350b17cf38ae974b3661089a55891e03 [0,1,0,1,0,0|2,0,0]=4 5228 B22R1.18042 O=C1NCCCC1COCCCCCCCCCCCCS 75b0675eb63cca239ec7efc25cefe228 [0,1,0,1,0,0|2,0,0]=4 5229 B22R1.18042 O=C1NCCCC1NCCCCCCCCCCCCCO 2cb7a5247be9bbb596bcf5454b4ce414 [0,1,0,1,0,0|2,0,0]=4 5230 B22R1.18042 O=C1NCCC[C@@H]1NCCCCCCCCCCCCCO d93fcf4ee129e90b40a4cfba09592ccc [0,1,0,1,0,0|2,0,0]=4 5231 B22R1.18042 O=C1NCCC[C@H]1NCCCCCCCCCCCCCO da17e6301c15f72a71906cca69bd3be7 [0,1,0,1,0,0|2,0,0]=4 5232 B22R1.69659 CCCCCCCCCCCCCN1CCC(=O)CC1CO c6440dbf43f6bf821763138506e222f1 [0,1,0,1,0,0|1,0,0]=3 5233 B22R1.69659 CCCCCCCCCCCCCN1CNC(=O)CC1CO 67eec4fd3960508910cff41b5c9ec802 [0,1,0,1,0,0|2,0,0]=4 5234 B22R1.69659 O=C1CCN(C(C1)CO)CCCCCCCCCCCCO 8b41d3423477209fb1daa6e6c886b898 [0,1,0,1,0,0|2,0,0]=4 5235 B22R1.69659 O=C1CCN(C(C1)CO)CCCCCCCCCCCCS 4ed204028bda634b8bc25e8b99c3488c [0,1,0,1,0,0|2,0,0]=4 5236 B22R1.118055 CC1CNC(=O)CN1CCCCCCCCCCCCCO 92aefd6546db6ed39d277bec2426be8b [0,1,0,1,0,0|2,0,0]=4 5237 B22R1.118055 CCCCCCCCCCCCCCN1CC(=O)NCC1C 2093798470e4a597b83e1ab583dee466 [0,1,0,1,0,0|1,0,0]=3 5238 B22R1.118055 CCCCCCCCCCCCCCN1CC(=O)NC[C@@H]1C cac468c0b9aa3e14e02781acc7ab3ede [0,1,0,1,0,0|1,0,0]=3 5239 B22R1.118055 CCCCCCCCCCCCCCN1CC(=O)NC[C@H]1C 3fa8472c7f38a280da3c03186e6184d0 [0,1,0,1,0,0|1,0,0]=3 5240 B22R1.118055 C[C@@H]1CNC(=O)CN1CCCCCCCCCCCCCO fc6142ac324841bebf02427db975a621 [0,1,0,1,0,0|2,0,0]=4 5241 B22R1.118055 C[C@H]1CNC(=O)CN1CCCCCCCCCCCCCO 60a70eaf2143152d6ba0bb73cf0935f3 [0,1,0,1,0,0|2,0,0]=4 5242 B22R1.119503 C#CCNC(=O)C1CCCCN1CCCCCCCCCC fd3186bdcfaa13b2d20d505bb35ced7c [0,1,0,1,0,0|1,0,1]=4 5243 B22R1.119503 CCCCCCCCCCN1CCCC[C@@H]1C(=O)NCCC 161f86596a8d4b447ee73b65c73de1e0 [0,1,0,1,0,0|1,0,0]=3 5244 B22R1.119503 CCCCCCCCOCN1CCCC[C@@H]1C(=O)NCCC 83bb09503b501f00cadbadecbe3532dc [0,1,0,1,0,0|2,0,0]=4 5245 B22R1.119503 CCCNC(=O)[C@H]1CCCCN1CCCCCCCCCO e87fe6db98764612a0ec1ebd4a763bb9 [0,1,0,1,0,0|2,0,0]=4 5246 B22R1.119802 CCCCOCCC1CCCCN1CCCC(=O)NCCC 3cb8b4befd2856a42c1b69130b1928b8 [0,1,0,1,0,0|2,0,0]=4 5247 B22R1.160131 CCCNC(=O)CCCNC1CCCCCCCCCCC1 87f092aff0a788a026e71c4c239b63b6 [0,1,0,1,0,0|1,0,0]=3 5248 B22R1.160131 CCCNC(=O)CCCOC1CCCCCCCCCCC1 978d832e7513ae933d2feaa9128e90f2 [0,1,0,1,0,0|1,0,0]=3 5249 B22R1.359363 CCCCCCC1CCCCCN1CCCC(=O)NCCC f88453e822358d9470d60a8d29e65fa7 [0,1,0,1,0,0|1,0,0]=3 5250 B22R1.522966 C=CCNC(=O)CCN1CCCCC1CCCCCCCC d82b2a4131af98ff36ad42bf856f936a [0,1,0,1,0,0|1,0,1]=4 5251 B22R1.859167 C#CCCCCCCCCCCCCCCC(=O)N1CCC1 6b0c0a2ef1e523e8d23d3a6df4847939 [0,1,0,1,0,0|1,0,1]=4 5252 B22R1.859167 C=CCCCCCCCCCCCCCCC(=O)N1CCC1 556168cd534464f0fb8bf9bcfacaed8a [0,1,0,1,0,0|1,0,1]=4 5253 B22R1.859167 CCCCCC/C=C/CCCCCCCCC(=O)N1CCC1 1fbd552621accf3ec397b57998ef0229 [0,1,0,1,0,0|1,0,1]=4 5254 B22R1.859167 CCCCCC/C=C\CCCCCCCCC(=O)N1CCC1 5dfd149b29b83551f89efa8ea03578e1 [0,1,0,1,0,0|1,0,1]=4 5255 B22R1.859167 CCCCCCCCCCCCCCCNC(=O)C1=CCC1 fd05227ed85fa2adecf701ee46026df9 [0,1,0,1,0,0|2,0,0]=4 5256 B22R1.859167 CCCCCCCCCCCCCCCNC(=O)C1CCO1 99a846664537161bd72a2d48515c91d4 [0,1,0,1,0,0|1,0,0]=3 5257 B22R1.859167 CCCCCCCCCCCCCCCNC(=O)N1CCC1 cc2c499397b1a0b89ae6e14a969149b3 [0,1,0,1,0,0|1,0,0]=3 5258 B22R1.859167 CCCCCCCCCCCCCCCNC(=O)[C@@H]1CCO1 66747d206c4b3dc21a3be2a9bca83fff [0,1,0,1,0,0|1,0,0]=3 5259 B22R1.859167 CCCCCCCCCCCCCCCNC(=O)[C@H]1CCO1 b7a99e07c7aa7af9894f8bc081023845 [0,1,0,1,0,0|1,0,0]=3 5260 B22R1.859167 CCCCCCCCCCCCCCCNC(=S)N1CCC1 1eab8711a85b61eb5a87168ec0e0cfb8 [0,1,0,1,0,0|1,1,0]=4 5261 B22R1.859167 CCCCCCCCCCCCCCNCC(=O)C1CCC1 2a8ba651a04caae2b92c7639793598ff [0,1,0,1,0,0|2,0,0]=4 5262 B22R1.859167 CCCCCCCCCCCCCCNCC(=O)N1CCC1 34d84db07572a8110c9b2d9627ef5e56 [0,1,0,1,0,0|1,0,0]=3 5263 B22R1.859167 CCCCCCCCCCCCCCOCC(=O)N1CCC1 3c3af4c83effc66b3bc5bfbe038cfb7e [0,1,0,1,0,0|1,0,0]=3 5264 B22R1.859167 CCCCCCCCCCCCCCSCC(=O)N1CCC1 3d83bad3c4a0936f284439293cfd4153 [0,1,0,1,0,0|1,0,0]=3 5265 B22R1.859167 CCCCCCCCCCCCCNCCC(=O)N1CCC1 2ce9cac6c756a21bc720db7bab6e324d [0,1,0,1,0,0|1,0,0]=3 5266 B22R1.859167 CCCCCCCCCCCCCOCCC(=O)N1CCC1 6913ea89116fefb2ca0fb81e2a11f434 [0,1,0,1,0,0|1,0,0]=3 5267 B22R1.859167 CCCCCCCCCCCOCCOCC(=O)N1CCC1 cddda3ddc72d1bb11baa446c73cdde8c [0,1,0,1,0,0|2,0,0]=4 5268 B22R1.859167 CCCCCCCCCCOCCOCCC(=O)N1CCC1 4bcb818d233741a2e6c1c2fa505ea960 [0,1,0,1,0,0|2,0,0]=4 5269 B22R1.859167 CCCCCCCCCCSCCOCCC(=O)N1CCC1 7bebf29fa542834ed336b4ebf78a7107 [0,1,0,1,0,0|2,0,0]=4 5270 B22R1.859167 NCCCCCCCCCCCCCCNC(=O)N1CCC1 71ac8c4c3696c82edb7ed98790abc6f3 [0,1,0,1,0,0|2,0,0]=4 5271 B22R1.859167 O=C(CCCCCCCCCCCCCCCF)N1CCC1 4b9340680cd751087e1dc5f60b274fa3 [0,1,0,1,0,0|1,0,0]=3 5272 B22R1.859167 O=C(CCCCCCCCCCCCCCCO)N1CCC1 69931c82bb37faaa89ab450fe8493d58 [0,1,0,1,0,0|1,0,0]=3 5273 B22R1.859167 O=C(CCCCCCCCCCCCCCCS)N1CCC1 99af9702d1079609094764205cfa5193 [0,1,0,1,0,0|1,0,0]=3 5274 B22R1.859167 O=C(CCNCCCCCCCCCCCCO)N1CCC1 4f66059f5db2d497e1d281c83cc4c5bd [0,1,0,1,0,0|2,0,0]=4 5275 B22R1.859167 O=C(CNCCCCCCCCCCCCCO)N1CCC1 7dd45228c0d4e1e1ce0bb5940ef5f25c [0,1,0,1,0,0|2,0,0]=4 5276 B22R1.859167 O=CCCCCCCCCCCCCCCC(=O)N1CCC1 f62752e3c7c26256ccaf7d651377aa4d [0,1,0,1,0,0|1,0,1]=4 5277 B22R1.859169 C#CCCCCCCCCCCCCCCC(=O)NC1CC1 f2874496b0f1bdb0db1c38b4f31877b3 [0,1,0,1,0,0|1,0,1]=4 5278 B22R1.859169 C=CCCCCCCCCCCCCCCC(=O)NC1CC1 b492c86c3f465ab5e089d1ff8cd5cf14 [0,1,0,1,0,0|1,0,1]=4 5279 B22R1.859169 CCCCCC/C=C/CCCCCCCCC(=O)NC1CC1 ba6fdcb2b2dbe3f9d27f14050c4b06e9 [0,1,0,1,0,0|1,0,1]=4 5280 B22R1.859169 CCCCCC/C=C\CCCCCCCCC(=O)NC1CC1 137ccca79b897f3da0e7176f42133622 [0,1,0,1,0,0|1,0,1]=4 5281 B22R1.859169 CCCCCCCCCCCCCCCNC(=O)CC1CC1 3d774996c3ea56b5a10cc3442a2802bc [0,1,0,1,0,0|2,0,0]=4 5282 B22R1.859169 CCCCCCCCCCCCCCCNC(=O)NC1CC1 87beee48050e558e8f6cdf01b3d6c433 [0,1,0,1,0,0|1,0,0]=3 5283 B22R1.859169 CCCCCCCCCCCCCCCNC(=S)NC1CC1 0459a21967ac1259788812855d63fdb0 [0,1,0,1,0,0|1,1,0]=4 5284 B22R1.859169 CCCCCCCCCCCCCCNCC(=O)NC1CC1 56595590e1734d1bb44c21ff259da2f6 [0,1,0,1,0,0|1,0,0]=3 5285 B22R1.859169 CCCCCCCCCCCCCCOCC(=O)NC1CC1 a30afc506fb476d1c86eb33ed1bb127a [0,1,0,1,0,0|1,0,0]=3 5286 B22R1.859169 CCCCCCCCCCCCCCSCC(=O)NC1CC1 e34cfc52fb55e46fa17b189ee9e9fd2b [0,1,0,1,0,0|1,0,0]=3 5287 B22R1.859169 CCCCCCCCCCCCCNCCC(=O)NC1CC1 b5d4d401bf56d53b6e450b321468d311 [0,1,0,1,0,0|1,0,0]=3 5288 B22R1.859169 CCCCCCCCCCCCCOCCC(=O)NC1CC1 43a485673b2fafe9880c653302cec733 [0,1,0,1,0,0|1,0,0]=3 5289 B22R1.859169 CCCCCCCCCCCCNCCCC(=O)NC1CC1 759029485fbeee9fb27e35632bd800d0 [0,1,0,1,0,0|1,0,0]=3 5290 B22R1.859169 CCCCCCCCCCCCOCCCC(=O)NC1CC1 7bb2edccabb222d398aae8a9a2134503 [0,1,0,1,0,0|1,0,0]=3 5291 B22R1.859169 CCCCCCCCCCCOCCOCC(=O)NC1CC1 474e0563fa8832b2922988d2e9ca89cf [0,1,0,1,0,0|2,0,0]=4 5292 B22R1.859169 CCCCCCCCCCOCCOCCC(=O)NC1CC1 e6ddb687c3019336c7f98a6e506a5e86 [0,1,0,1,0,0|2,0,0]=4 5293 B22R1.859169 CCCCCCCCOCCCNCCCC(=O)NC1CC1 736638905b33c8c04d3d20c751f5bb71 [0,1,0,1,0,0|2,0,0]=4 5294 B22R1.859169 CCCCCCCOCCCCOCCCC(=O)NC1CC1 5b4822fe335390a2d5c8bb38ac546d33 [0,1,0,1,0,0|2,0,0]=4 5295 B22R1.859169 CCOCCCCCCCCCOCCCC(=O)NC1CC1 7dfafc6d07b8f5a4901355195eee9d14 [0,1,0,1,0,0|2,0,0]=4 5296 B22R1.859169 NCCCCCCCCCCCCCCNC(=O)NC1CC1 bbfb6e81e237c3fe302174ac1ea1e3e5 [0,1,0,1,0,0|2,0,0]=4 5297 B22R1.859169 O=C(CCCCCCCCCCCCCCCF)NC1CC1 f77722b14efef5242a5b3f4faa9ea2d8 [0,1,0,1,0,0|1,0,0]=3 5298 B22R1.859169 O=C(CCCCCCCCCCCCCCCO)NC1CC1 8342ec69df9a31b76bc64f4a94a05786 [0,1,0,1,0,0|1,0,0]=3 5299 B22R1.859169 O=C(CCCCCCCCCCCCCCCS)NC1CC1 9a8ea793d410d37e89c574eaef7e5546 [0,1,0,1,0,0|1,0,0]=3 5300 B22R1.859169 O=C(CCCNCCCCCCCCCCCO)NC1CC1 b4c139eb37e53a0116359e27f1b4d9de [0,1,0,1,0,0|2,0,0]=4 5301 B22R1.859169 O=C(CCCOCCCCCCCCCCCS)NC1CC1 f6f60d00524d73f97ea5e71d828f9b7f [0,1,0,1,0,0|2,0,0]=4 5302 B22R1.859169 O=C(CCNCCCCCCCCCCCCO)NC1CC1 75ec4f0cd8de03ed49d7a981df8bfa2b [0,1,0,1,0,0|2,0,0]=4 5303 B22R1.859169 O=C(CNCCCCCCCCCCCCCO)NC1CC1 80a6da7107d4cf49dc5bc03911d9e415 [0,1,0,1,0,0|2,0,0]=4 5304 B22R1.859169 O=CCCCCCCCCCCCCCCC(=O)NC1CC1 4b99671d23d872bce94ac0db812974be [0,1,0,1,0,0|1,0,1]=4 5305 B22R1.916330 C#CCNC(=O)CCCCCCCC1CC1CCCCCC 581002159b95cc69825e803daa7b3b9e [0,1,0,1,0,0|1,0,1]=4 5306 B22R1.916330 CCCCCCC1CC1CCCCCCCC(=O)NCC#N 5a5e3f8f4db223fdb0cd388c479e61fe [0,1,0,1,0,0|1,0,1]=4 5307 B22R1.916330 CCCCCCC1CC1CCCCCCCC(=O)NCCBr 63b94aea1bebb8ec60f654b34c6bfc64 [0,1,0,1,0,0|1,0,0]=3 5308 B22R1.916330 CCCCCCC1CC1CCCCCCCC(=O)NCCC ce7b4e6c65085c43d0bc60ce17d7af68 [0,1,0,1,0,0|1,0,0]=3 5309 B22R1.916330 CCCCCCC1CC1CCCCCCCC(=O)NCCF 2971c3b3c95fef3df76ca7ee7a2658ef [0,1,0,1,0,0|1,0,0]=3 5310 B22R1.916330 CCCCCCC1CC1CCCCCCCC(=O)NCCI ca96d5e43b28cf773903aeb018d63793 [0,1,0,1,0,0|1,0,0]=3 5311 B22R1.916330 CCCCCCC1CC1CCCCCCCC(=O)NCCO ba7f88b64c61454d8861627920eaba97 [0,1,0,1,0,0|0,0,0]=2 5312 B22R1.916330 CCCCCCC1CC1CCCCCCCC(=O)NCCS ad71c12e0bf2757544003237ea4a0a64 [0,1,0,1,0,0|0,1,0]=3 5313 B22R1.1619109 C=CCCCCCCCCCCCCN[C@@H]1C(=O)NC[C@H]1O c00a6238fc47ea126a64210f096f3e68 [0,1,0,1,0,0|0,0,2]=4 5314 B22R1.1619109 CCCCCCCCCCCCCCN[C@@H]1C(=O)NC[C@H]1O 8c749eb1b8bb8f50817ef91c787e8e18 [0,1,0,1,0,0|0,0,0]=2 5315 B22R1.1619109 O=C1NC[C@H]([C@@H]1NCCCCCCCCCCCCCO)O c96422e3810a0497cde0e1206bf0fb23 [0,1,0,1,0,0|1,0,0]=3 5316 B22R1.1619109 O=C1OC[C@@H]([C@@H]1NCCCCCCCCCCCCCO)O 8a7eb56eea1edc8e739f90912d86e8ef [0,1,0,1,0,0|2,0,0]=4 5317 B22R1.1619125 CCCCCCCCCCCCCCN1CCCNC(=O)C1 d0e4828ce44c5f7946f0a15377cb0e05 [0,1,0,1,0,0|1,0,0]=3 5318 B22R1.1619125 CCCCCCCCCCCCCOC1CCCNC(=O)C1 22b03c641026e4e68dc66b7fe77ce5a0 [0,1,0,1,0,0|1,0,0]=3 5319 B22R1.1619125 O=C1CC(CCCN1)OCCCCCCCCCCCCS 52ad676e7bc5d095c754ea89d3f02914 [0,1,0,1,0,0|2,0,0]=4 5320 B22R1.1619125 O=C1CN(CCCN1)CCCCCCCCCCCCCO 907975d28e40ef83f40432d9761fbe9f [0,1,0,1,0,0|2,0,0]=4 5321 B22R1.9127209 CCCCCCCCCCCCN1CCNC(=O)C1CCO 947f17a38f49916397c45d3f51aee8d2 [0,1,0,1,0,0|2,0,0]=4 5322 B22R1.21654 CCCCCCCCCCCCC(C)NC1CCCNC1=O c7201c689527e95b8662e6e243b67877 [0,1,0,1,0,0|2,0,0]=4 5323 B22R1.21654 CCCCCCCCCCCCC(C)N[C@@H]1CCCNC1=O 38bc1540d0cd19ae9edb75abf39de0e6 [0,1,0,1,0,0|2,0,0]=4 5324 B22R1.21654 CCCCCCCCCCCCC(C)N[C@H]1CCCNC1=O 5d2f1156eb1c9106dbdd2c25ff1e7886 [0,1,0,1,0,0|2,0,0]=4 5325 B22R1.21654 CCCCCCCCCCCCC(C)OC1CCCNC1=O 18293e9233951c87410fcc9b6a64b47e [0,1,0,1,0,0|2,0,0]=4 5326 B22R1.1400901 CCCCCCCCCCCCC(=O)CCC(=O)N1CCC1 81fed0abc12e629e116416899c429ce9 [0,1,0,1,0,0|1,0,1]=4 5327 B22R1.1400901 CCCCCCCCCCCCC(C)OCC(=O)N1CCC1 c706e9a67d9a5d095370060599d728af [0,1,0,1,0,0|2,0,0]=4 5328 B22R1.1400901 CCCCCCCCCCCCC(O)CCC(=O)N1CCC1 6d129ac6cad5c5740de9ef212114c534 [0,1,0,1,0,0|1,0,0]=3 5329 B22R1.1400901 CCCCCCCCCCCCN(C)CCC(=O)N1CCC1 24acc937ae5ffde94fc2735afdabc7f4 [0,1,0,1,0,0|2,0,0]=4 5330 B22R1.1400903 CCCCCCCCCCCCC(=O)CCC(=O)NC1CC1 307ca50cf000bbe30276138db2e26838 [0,1,0,1,0,0|1,0,1]=4 5331 B22R1.1400903 CCCCCCCCCCCCC(C)NCC(=O)NC1CC1 71ad227b1af6459175ef53d6c6420bbc [0,1,0,1,0,0|2,0,0]=4 5332 B22R1.1400903 CCCCCCCCCCCCC(C)OCC(=O)NC1CC1 a959bf21bf62ebe9aa67685c80c5cc4d [0,1,0,1,0,0|2,0,0]=4 5333 B22R1.1400903 CCCCCCCCCCCCN(C)CCC(=O)NC1CC1 7b53cd6e94437b76820b549e32fb3794 [0,1,0,1,0,0|2,0,0]=4 5334 B22R1.5764129 CCCCCCCCCCCCC(=O)N[C@@H]1C(=O)NC[C@H]1O bdf41ac53132dfb433ff83f75ab006e9 [0,1,0,1,0,0|1,0,1]=4 5335 B22R1.5764129 CCCCCCCCCCCCC(C)N[C@@H]1C(=O)NC[C@H]1O bad82c5ccb8f5d54b0924a5fc2057dba [0,1,0,1,0,0|1,0,0]=3 5336 B22R1.929700 CCCCCCCC(O)CCCCCCCC(=O)N1CCC1 15009cb003e729137654a34588d64579 [0,1,0,1,0,0|1,0,0]=3 5337 B22R1.929702 CCCCCCCC(O)CCCCCCCC(=O)NC1CC1 b6ee94b5578338878b054a33995dc132 [0,1,0,1,0,0|1,0,0]=3 5338 B22R1.1366759 CCC(=O)CCCCCCCCCCCCC(=O)N1CCC1 fcbfb350425ff53beecf9d857d0195eb [0,1,0,1,0,0|1,0,1]=4 5339 B22R1.1366759 CCC(O)CCCCCCCCCCCCC(=O)N1CCC1 55536c6e1e5f3dcc353015e8aa20c3e5 [0,1,0,1,0,0|1,0,0]=3 5340 B22R1.1366761 CCC(=O)CCCCCCCCCCCCC(=O)NC1CC1 09066d75f1cde6384c6fc0406737d1a1 [0,1,0,1,0,0|1,0,1]=4 5341 B22R1.1366761 CCC(O)CCCCCCCCCCCCC(=O)NC1CC1 fced3a5c883dcabae2df6d04c31ebfc4 [0,1,0,1,0,0|1,0,0]=3 5342 B22R1.814668 CC(=O)CCCCCCCCCCCCCC(=O)N1CCC1 3124ac350beea9d1e7693a51daae7418 [0,1,0,1,0,0|1,0,1]=4 5343 B22R1.814668 CC(C)CCCCCCCCCCCCCC(=O)N1CCC1 134d920aa595c4eb6915c6ed6dced7a9 [0,1,0,1,0,0|1,0,0]=3 5344 B22R1.814668 CC(C)CCCCCCCCCCOCCC(=O)N1CCC1 27d608dad252031db4aa9f31466e239d [0,1,0,1,0,0|2,0,0]=4 5345 B22R1.814668 CC(O)CCCCCCCCCCCCCC(=O)N1CCC1 4554fe22f0257c7e1f9e391b6f07b382 [0,1,0,1,0,0|1,0,0]=3 5346 B22R1.814670 CC(=O)CCCCCCCCCCCCCC(=O)NC1CC1 c32865b7229c5a1d0c3747b8a666ba9e [0,1,0,1,0,0|1,0,1]=4 5347 B22R1.814670 CC(C)CCCCCCCCCCCCCC(=O)NC1CC1 18727f9378cde714fce949873284a37e [0,1,0,1,0,0|1,0,0]=3 5348 B22R1.814670 CC(C)CCCCCCCCCCOCCC(=O)NC1CC1 71867bf239a28d110278692b50e11cbe [0,1,0,1,0,0|2,0,0]=4 5349 B22R1.814670 CC(O)CCCCCCCCCCCCCC(=O)NC1CC1 66dc82109e497469f54b3becf63d15a7 [0,1,0,1,0,0|1,0,0]=3 5350 B22R1.274219 CCCCCCCCC(=O)CCCCCCC(=O)N1CCC1 71e294c277aa420b6f557c0a7081623e [0,1,0,1,0,0|1,0,1]=4 5351 B22R1.274219 CCCCCCCCC(O)CCCCCCC(=O)N1CCC1 d04936c7ad2a28c499de607952e7f8ca [0,1,0,1,0,0|1,0,0]=3 5352 B22R1.274221 CCCCCCCCC(=O)CCCCCCC(=O)NC1CC1 9bb79354e41856469a48307380c1c4a9 [0,1,0,1,0,0|1,0,1]=4 5353 B22R1.274221 CCCCCCCCC(O)CCCCCCC(=O)NC1CC1 d1daaf4ad250c495050c3fd70404f0f1 [0,1,0,1,0,0|1,0,0]=3 5354 B22R1.522218 CCCCCCCCCCCCO[C@H]1CC(=O)N(C1)CCC 8a207c72aa6c2234783c3a8df7a8e605 [0,1,0,1,0,0|2,0,0]=4 5355 B22R1.858657 CCCCCCCCCCCCCC(O)CC(=O)N1CCC1 23bb53616f40441681eab162a19bcd61 [0,1,0,1,0,0|1,0,0]=3 5356 B22R1.858657 CCCCCCCCCCCCC[C@@H](O)CC(=O)N1CCC1 d531247a6228571afb81e01828d42612 [0,1,0,1,0,0|1,0,0]=3 5357 B22R1.858659 CCCCCCCCCCCCCC(O)CC(=O)NC1CC1 baa52399994e00a6bcbd091a89d1440e [0,1,0,1,0,0|1,0,0]=3 5358 B22R1.858659 CCCCCCCCCCCCCN(C)CC(=O)NC1CC1 f330db1851ba6b853650ab9b5d2cdcf5 [0,1,0,1,0,0|2,0,0]=4 5359 B22R1.858659 CCCCCCCCCCCCC[C@@H](O)CC(=O)NC1CC1 75c928c68c611a923f41a41f2beb2640 [0,1,0,1,0,0|1,0,0]=3 5360 B22R1.915753 CCCCCCC(=O)CCCCCCCCC(=O)N1CCC1 a99b1ca0e028d05ab98a0620be9a65d8 [0,1,0,1,0,0|1,0,1]=4 5361 B22R1.915753 CCCCCCC(O)CCCCCCCCC(=O)N1CCC1 40df8e4e01261433d3396000d00c2fe3 [0,1,0,1,0,0|1,0,0]=3 5362 B22R1.915755 CCCCCCC(=O)CCCCCCCCC(=O)NC1CC1 6386d4253fcdde72888493b68695a32b [0,1,0,1,0,0|1,0,1]=4 5363 B22R1.915755 CCCCCCC(O)CCCCCCCCC(=O)NC1CC1 e8ea74959eecdc4b99b96d7f6cb4c196 [0,1,0,1,0,0|1,0,0]=3 5364 B22R1.1689660 CCCCC(=O)CCCCCCCCCCC(=O)N1CCC1 da574a4a64b0638503c11325c27e4bda [0,1,0,1,0,0|1,0,1]=4 5365 B22R1.1689660 CCCCC(O)CCCCCCCCCCC(=O)N1CCC1 404a6a04525d889b0bdf34eec0c0ed45 [0,1,0,1,0,0|1,0,0]=3 5366 B22R1.1689662 CCCCC(=O)CCCCCCCCCCC(=O)NC1CC1 ef0d9fdb74db22e8f77efe706b90cf7d [0,1,0,1,0,0|1,0,1]=4 5367 B22R1.1689662 CCCCC(O)CCCCCCCCCCC(=O)NC1CC1 86e135a775079c162332356ee204c8aa [0,1,0,1,0,0|1,0,0]=3 5368 B22R1.1924304 CCCCCC(=O)CCCCCCCCCC(=O)N1CCC1 347ff0781a2d152c7146cb85b1f4e864 [0,1,0,1,0,0|1,0,1]=4 5369 B22R1.1924304 CCCCCC(O)CCCCCCCCCC(=O)N1CCC1 3baf87d2726db483e09eae617b9cdb94 [0,1,0,1,0,0|1,0,0]=3 5370 B22R1.1924306 CCCCCC(=O)CCCCCCCCCC(=O)NC1CC1 65212f7b14f3da466109b7634f80d035 [0,1,0,1,0,0|1,0,1]=4 5371 B22R1.1924306 CCCCCC(O)CCCCCCCCCC(=O)NC1CC1 d8f48710739fe2916ec5dd38069ea748 [0,1,0,1,0,0|1,0,0]=3 5372 B22R1.522234 CCCCCCCCCCCCCN1CCCNC(=O)[C@@H]1C c11cd978ab5b7cf305598976dfb7cca5 [0,1,0,1,0,0|2,0,0]=4 5373 B22R1.522234 CCCCCCCCCCCCCN1CCCNC(=O)[C@H]1C c9373dbdef8d32aa39b6332a66d0351b [0,1,0,1,0,0|2,0,0]=4 5374 B22R1.858566 CCCCCCCCCCCCCN1[C@@H](CNC(=O)[C@H]1C)C 929a42ac8e1fa74e6db4b543c6efcfec [0,1,0,1,0,0|2,0,0]=4 5375 B22R1.858566 CCCCCCCCCCCCCN1[C@H](CNC(=O)[C@@H]1C)C 112c8265f366b5736201ab024c420693 [0,1,0,1,0,0|2,0,0]=4 5376 B22R1.858878 CCCCCCCCCCN1CCCC(C1)C(=O)NCCO 33360872ce3d0a9e203f6568199f7385 [0,1,0,1,0,0|1,0,0]=3 5377 B22R1.858878 CCCCCCCCOCN1CCCC(C1)C(=O)NCCO 7667e9185c5c52ba5b50a1708ec01c4f [0,1,0,1,0,0|2,0,0]=4 5378 B22R1.858878 O=C(NCCO)C1CCCN(C1)CCCCCCCCCO 2c4b59fbb424bb90420ef44dd8ba7dd7 [0,1,0,1,0,0|2,0,0]=4 5379 B22R1.1400914 CCCCCCCCCCCCCCC(F)C(=O)N1CCC1 306c70ab7ec9504f24df05cf1647d8d1 [0,1,0,1,0,0|1,0,0]=3 5380 B22R1.1400914 CCCCCCCCCCCCCCC(O)C(=O)N1CCC1 73db5163651c4a90af03ce0d212a7b6e [0,1,0,1,0,0|1,0,0]=3 5381 B22R1.1400914 CCCCCCCCCCCCCCN(C)C(=O)C1CCO1 6f5cd17e31c114df2fa6e318d2c50783 [0,1,0,1,0,0|2,0,0]=4 5382 B22R1.1400914 CCCCCCCCCCCCCCN(C)C(=O)[C@@H]1CCO1 4e452a9f3b6577fbdf3d2edf50b791c8 [0,1,0,1,0,0|2,0,0]=4 5383 B22R1.1400914 CCCCCCCCCCCCCCN(C)C(=O)[C@H]1CCO1 7fa75a7acbf460366939ff304e6b6c76 [0,1,0,1,0,0|2,0,0]=4 5384 B22R1.1400914 CCCCCCCCCCCCCC[C@H](O)C(=O)N1CCC1 b8387c96931b9fbc80520d51a1e00904 [0,1,0,1,0,0|1,0,0]=3 5385 B22R1.1400914 CCCCCCCCCCCCCNC(C)C(=O)N1CCC1 dc4da6a74571b84509eb725e334e735e [0,1,0,1,0,0|2,0,0]=4 5386 B22R1.1400914 CCCCCCCCCCCCCOC(C)C(=O)N1CCC1 6616308013be5303792cba9e04f1afbc [0,1,0,1,0,0|2,0,0]=4 5387 B22R1.1400916 CCCCCCCCCCCCCCC(F)C(=O)NC1CC1 6f05e16a71603dee260fb0a3d89f9e16 [0,1,0,1,0,0|1,0,0]=3 5388 B22R1.1400916 CCCCCCCCCCCCCCC(O)C(=O)NC1CC1 31555947530107ebac87cb35b9fb8101 [0,1,0,1,0,0|1,0,0]=3 5389 B22R1.1400916 CCCCCCCCCCCCCCN(C)C(=O)NC1CC1 260a193b16360b55a9851bca52c7583e [0,1,0,1,0,0|2,0,0]=4 5390 B22R1.1400916 CCCCCCCCCCCCCC[C@H](O)C(=O)NC1CC1 8d40d87cc10c9c4af2556e077a2b8ba0 [0,1,0,1,0,0|1,0,0]=3 5391 B22R1.1400916 CCCCCCCCCCCCCNC(C)C(=O)NC1CC1 3c348ea6fb4fb3d1c6be9bfe35fb11e4 [0,1,0,1,0,0|2,0,0]=4 5392 B22R1.1400916 CCCCCCCCCCCCCOC(C)C(=O)NC1CC1 76e6a24b5c9a63bd53cb5ba89e6e22ee [0,1,0,1,0,0|2,0,0]=4 5393 B22R1.1648433 CCCCCCCCC1CCCCN1C(C)C(=O)NCCC 7c2a3c72e4be95de70ac7d8fd05ab6c2 [0,1,0,1,0,0|2,0,0]=4 5394 B22R1.1400592 CCCCCCCCCCCCCOC1C(=O)NCC1(C)C 347545e51fd30db90456ed97aacb714f [0,1,0,1,0,0|2,0,0]=4 5395 B22R1.951205 CCCCCCCCCC(=O)CCCCCC(=O)N1CCC1 c97985b586d110d5cbaba4a6c91fb5a0 [0,1,0,1,0,0|1,0,1]=4 5396 B22R1.951205 CCCCCCCCCC(O)CCCCCC(=O)N1CCC1 5e5bc32d7f154202b0d0ee58306c5273 [0,1,0,1,0,0|1,0,0]=3 5397 B22R1.951207 CCCCCCCCCC(=O)CCCCCC(=O)NC1CC1 4226bc20546b2b163fc7f3b0dada611c [0,1,0,1,0,0|1,0,1]=4 5398 B22R1.951207 CCCCCCCCCC(C)COCCCC(=O)NC1CC1 bc5c2327baff2528149e669b9ee5a9cb [0,1,0,1,0,0|2,0,0]=4 5399 B22R1.951207 CCCCCCCCCC(O)CCCCCC(=O)NC1CC1 8dd062e6048a4882b84066c37c9cd59b [0,1,0,1,0,0|1,0,0]=3 5400 B22R1.1670895 CCCCCCCCCCCC(=O)CCCC(=O)N1CCC1 07332c02dbbc165442ae7c158d1424f2 [0,1,0,1,0,0|1,0,1]=4 5401 B22R1.1670895 CCCCCCCCCCCC(C)OCCC(=O)N1CCC1 91b741c21dcd6f582509149b3feb17c4 [0,1,0,1,0,0|2,0,0]=4 5402 B22R1.1670895 CCCCCCCCCCCC(O)CCCC(=O)N1CCC1 f55acafc8e64280dbac19cf21c03ffc2 [0,1,0,1,0,0|1,0,0]=3 5403 B22R1.1670897 CCCCCCCCCCCC(=O)CCCC(=O)NC1CC1 bbb8b68060c4730076153e1f7e67ef0d [0,1,0,1,0,0|1,0,1]=4 5404 B22R1.1670897 CCCCCCCCCCCC(C)OCCC(=O)NC1CC1 23878904593331965085e196798df578 [0,1,0,1,0,0|2,0,0]=4 5405 B22R1.1670897 CCCCCCCCCCCC(O)CCCC(=O)NC1CC1 372c72c67e493d0a17f7f6dcd1e0cc47 [0,1,0,1,0,0|1,0,0]=3 5406 B22R1.52241 CC(CO)NC(=O)CNCCCCCCCN1CCCCC1 d34c43140337ef8fe807a9f88c02c1f2 [0,1,0,1,0,0|2,0,0]=4 5407 B22R1.52377 CC(CO)NC(=O)CCC1CCCCCCCCCCC1=O aa97ce163d3fe082344f8ab622f7f4f4 [0,1,0,1,0,0|1,0,1]=4 5408 B22R1.52377 C[C@@H](CO)NC(=O)CCC1CCCCCCCCCCC1=O 12a602d769e8b75d1db51774f395789c [0,1,0,1,0,0|1,0,1]=4 5409 B22R1.52377 C[C@H](CO)NC(=O)CCC1CCCCCCCCCCC1=O 6f3a6bc00123b0c29e3802d278263996 [0,1,0,1,0,0|1,0,1]=4 5410 B22R1.328317 CCCCCCCCC1CCCCN1CC(=O)NC(C)CC 188240d338531358b26f91a60b9ae704 [0,1,0,1,0,0|2,0,0]=4 5411 B22R1.328317 CCCCCCCCC1CCCCN1CC(=O)NC(C)CO 16977a22152f5a226bc0256b1c7d66a6 [0,1,0,1,0,0|1,0,0]=3 5412 B22R1.1138358 CC(CO)NC(=O)CNCCCCCCN1CCCCCC1 ed8bfd34750a2dae95c6d9ed013e2c69 [0,1,0,1,0,0|2,0,0]=4 5413 B22R1.1400856 CC1(CC1)NC(=O)CCCCCCCCCCCCCCO 0d4f01c89c63af78e2b1ddf5bdf0e6be [0,1,0,1,0,0|2,0,0]=4 5414 B22R1.1400856 CCCCCCCCCCCCCCNC(=O)NC1(CC1)C 1ed8eb4a25b04a4f96f7334c3b3cacf2 [0,1,0,1,0,0|2,0,0]=4 5415 B22R1.1400856 CCCCCCCCCCCCSCCC(=O)NC1(CC1)C 6512d560d39097854b70ff715aec6629 [0,1,0,1,0,0|2,0,0]=4 5416 B22R1.2651 CCCCCCCCCCCCCNC1CCCN(C1=O)C 81acf5b0587160c19851efcc41c1e1f1 [0,1,0,1,0,0|2,0,0]=4 5417 B22R1.2651 CCCCCCCCCCCCCN[C@@H]1CCCN(C1=O)C fb4603bbcc6488545750097a9197e86d [0,1,0,1,0,0|2,0,0]=4 5418 B22R1.2651 CCCCCCCCCCCCCN[C@H]1CCCN(C1=O)C 7c17d647bd84642d27e1e8777a1ee021 [0,1,0,1,0,0|2,0,0]=4 5419 B22R1.2651 CCCCCCCCCCCCOCC1CCCN(C1=O)C 36d5aa66f34042e8593a18dcd31b47f7 [0,1,0,1,0,0|2,0,0]=4 5420 B22R1.165383 CN(CCO)C(=O)CCC1CCCCCCCCCCC1=O 571a9c925c26779bd618d57f9d7bc6a5 [0,1,0,1,0,0|1,0,1]=4 5421 B22R1.183559 C#CCCCCCCCCCCCCCC(=O)N1CC(C1)O 7b9252b02f8f50906b514dee3a2a5059 [0,1,0,1,0,0|0,0,2]=4 5422 B22R1.183559 C=CCCCCCCCCCCCCCC(=O)N1CC(C1)O 066342854c09a250c6894819442397c9 [0,1,0,1,0,0|0,0,2]=4 5423 B22R1.183559 CCCCCC/C=C/CCCCCCCC(=O)N1CC(C1)O dcf739117d73cf8374f4b8300654645f [0,1,0,1,0,0|0,0,2]=4 5424 B22R1.183559 CCCCCC/C=C\CCCCCCCC(=O)N1CC(C1)O 6815ab75abd540543278a98533861b5f [0,1,0,1,0,0|0,0,2]=4 5425 B22R1.183559 CCCCCCC=CCCCCCCCC(=O)N1CC(C1)O b2afdcecbb9c78a4e22efe58278f0c86 [0,1,0,1,0,0|0,0,2]=4 5426 B22R1.183559 CCCCCCCCC/C=C\CCCCC(=O)N1CC(C1)O 10a6890f0e21b7d4c3f5f68339f5fc0c [0,1,0,1,0,0|0,0,2]=4 5427 B22R1.183559 CCCCCCCCCCCC/C=C/CC(=O)N1CC(C1)O 9f0baf92b9f4494acae7eae3379eb5fd [0,1,0,1,0,0|0,0,2]=4 5428 B22R1.183559 CCCCCCCCCCCCC/C=C/C(=O)N1CC(C1)O ef7722a754295b0a89037197af85fb36 [0,1,0,1,0,0|0,0,2]=4 5429 B22R1.183559 CCCCCCCCCCCCCCCC(=O)N1CC(C1)F 1fc9eb572ca06e19439d31331c4edadd [0,1,0,1,0,0|1,0,0]=3 5430 B22R1.183559 CCCCCCCCCCCCCCCC(=O)N1CC(C1)O dba1819afa1fdbe29b6a4b24a0d2d12d [0,1,0,1,0,0|0,0,0]=2 5431 B22R1.183559 CCCCCCCCCCCCCCNC(=O)N1CC(C1)F 85d2d1a0d691bd0c33e458c2a6f7939c [0,1,0,1,0,0|2,0,0]=4 5432 B22R1.183559 CCCCCCCCCCCCCCNC(=O)N1CC(C1)O ece9e0d4ee87ef815354329c5f6a46be [0,1,0,1,0,0|1,0,0]=3 5433 B22R1.183559 CCCCCCCCCCCCCCNC(=S)N1CC(C1)O feee9ca064dee229bbf475fa8dfe9335 [0,1,0,1,0,0|1,1,0]=4 5434 B22R1.183559 CCCCCCCCCCCCCNCC(=O)N1CC(C1)O 5c06469fa8e53a5c6e8882c1aad457c6 [0,1,0,1,0,0|1,0,0]=3 5435 B22R1.183559 CCCCCCCCCCCCCOCC(=O)N1CC(C1)F 6625f5f3f012816da4e739e9ddec8088 [0,1,0,1,0,0|2,0,0]=4 5436 B22R1.183559 CCCCCCCCCCCCSCCC(=O)N1CC(C1)F c0a41c1259362dbbbd7657aa2eb10975 [0,1,0,1,0,0|2,0,0]=4 5437 B22R1.183559 CCCCCCCCCCCCSCCC(=O)N1CC(C1)O 72e5af859bf26fb528c8597c576c8267 [0,1,0,1,0,0|1,0,0]=3 5438 B22R1.183559 O=C(CCCCCCCCCCCCCCO)N1CC(C1)F b14520f80fa801de80cc370487985974 [0,1,0,1,0,0|2,0,0]=4 5439 B22R1.183559 O=C(CCCCCCCCCCCCCCO)N1CC(C1)O 721a81ee7dff595f401409db52c32ef9 [0,1,0,1,0,0|1,0,0]=3 5440 B22R1.183559 O=C(CNCCCCCCCCCCCCO)N1CC(C1)O 1826dc900f5b58353ce6fad53588beb0 [0,1,0,1,0,0|2,0,0]=4 5441 B22R1.183559 O=C(NCCCCCCCCCCCCCO)N1CC(C1)O c0eb6b9f9dcffdf84dd87cbf953c260a [0,1,0,1,0,0|2,0,0]=4 5442 B22R1.183559 O=CCCCCCCCCCCCCCC(=O)N1CC(C1)O cf3e8a6fd72ef733c50be6d38a0a2dd6 [0,1,0,1,0,0|1,0,1]=4 5443 B22R1.522237 CCCCCCCCCCCCCN1CCCN(C(=O)C1)C e2018939a51b670fbe8a5ba103a283ad [0,1,0,1,0,0|2,0,0]=4 5444 B22R1.858921 CCCCCCCCCCCCCN1CC(=O)N(CC1C)C 8b732db21af796b976db745015be9c40 [0,1,0,1,0,0|2,0,0]=4 5445 B22R1.858921 CCCCCCCCCCCCCN1CC(=O)N(C[C@H]1C)C 76206a9e8f1297c6532baa737122062c [0,1,0,1,0,0|2,0,0]=4 5446 B22R1.1619329 CCCCCCCCCCCCCCNC(=O)N(C)C1CC1 a59c4a1b0aaf5ed38830ae9fcbccd280 [0,1,0,1,0,0|2,0,0]=4 5447 B22R1.1619329 CCCCCCCCCCCCCNCC(=O)N(C)C1CC1 2e6fe8d07df81fee1edb87cdc7db3a1b [0,1,0,1,0,0|2,0,0]=4 5448 B22R1.1619329 CCCCCCCCCCCCCOCC(=O)N(C)C1CC1 1c182045856cb40c90fdcb812d7ecf57 [0,1,0,1,0,0|2,0,0]=4 5449 B22R1.1619329 CCCCCCCCCCCCNCCC(=O)N(C)C1CC1 5ad4f085cc0ea1a1bee8cb6647163492 [0,1,0,1,0,0|2,0,0]=4 5450 B22R1.1619329 CCCCCCCCCCCCSCCC(=O)N(C)C1CC1 2aa3448870852cc018e7a62e0415a8b0 [0,1,0,1,0,0|2,0,0]=4 5451 B22R1.1619329 CN(C(=O)CCCCCCCCCCCCCCO)C1CC1 697ad66a3f98a545a6a5ea90d9c4d5be [0,1,0,1,0,0|2,0,0]=4 5452 B22R1.18055 CCCCCCCCCCCCO[C@@H]1CC(=O)N[C@H]1C(C)C 5006c4d9cf9248e0f585d22553fd6cc4 [0,1,0,1,0,0|2,0,0]=4 5453 B22R1.18081 CCCCCCCCC1CCCCN1CC(=O)NCC(=O)O d832f5c76bda33a73a270c5287a75efc [0,1,0,1,0,0|1,0,1]=4 5454 B22R1.18081 CCCCCCCCC1CCCCN1CC(=O)NCC(C)C 85177f2878ea8b41c696f4cc7978db2f [0,1,0,1,0,0|2,0,0]=4 5455 B22R1.25975 CC(O)CNC(=O)CCC1CCCCCCCCCCC1=O 906b5a33615bbf782a5d99bc60ea78a2 [0,1,0,1,0,0|1,0,1]=4 5456 B22R1.25975 C[C@@H](O)CNC(=O)CCC1CCCCCCCCCCC1=O 6ae2ba61c5dd0659331bc59d62d54264 [0,1,0,1,0,0|1,0,1]=4 5457 B22R1.25975 C[C@H](O)CNC(=O)CCC1CCCCCCCCCCC1=O 49223333a515d6d198555353f62b90d5 [0,1,0,1,0,0|1,0,1]=4 5458 B22R1.39678 CCCCCCCCCCN1CCCC1C(=O)NCC(=O)O 64e95709b214446b6f17d7555ee1dd01 [0,1,0,1,0,0|1,0,1]=4 5459 B22R1.39678 CCCCCCCCCCN1CCC[C@H]1C(=O)NCC(=O)O 3279e45f2eb8caa572c81f44ce6c0517 [0,1,0,1,0,0|1,0,1]=4 5460 B22R1.164475 CC(C)CNC(=O)CCCOC1CCCCCCCCCC1 1badc98b108918c0b242e6f809381d81 [0,1,0,1,0,0|2,0,0]=4 5461 B22R1.4504798 CC1(CN1C(=O)CCCCCCCCCCCCCCO)C 32f6ed25038e1545c859ab28672dc25e [0,1,0,1,0,0|2,0,0]=4 5462 B22R1.4504798 CCCCCCCCCCCCCCNC(=O)N1CC1(C)C 87d47e604236ca4ffbaab88a23338a11 [0,1,0,1,0,0|2,0,0]=4 5463 B22R1.4504798 CCCCCCCCCCCCSCCC(=O)N1CC1(C)C 68bf6f84b64955c15e7e90091e9a78d0 [0,1,0,1,0,0|2,0,0]=4 5464 B22R1.5760080 CCCCCCCCCCCCCN1CC(=O)NCC1(C)C 19a69075b151c023feae0e120a76d64c [0,1,0,1,0,0|2,0,0]=4 5465 B22R1.1470715 CCCCCCCCCCC(=O)CCCCC(=O)N1CCC1 ac1cc85bde67d24b59f88c757dc93ef1 [0,1,0,1,0,0|1,0,1]=4 5466 B22R1.1470715 CCCCCCCCCCC(C)COCCC(=O)N1CCC1 69d0b7105bf71a22395623054519f6b6 [0,1,0,1,0,0|2,0,0]=4 5467 B22R1.1470715 CCCCCCCCCCC(O)CCCCC(=O)N1CCC1 d4f3d921fdf783fc8b74884f880b1143 [0,1,0,1,0,0|1,0,0]=3 5468 B22R1.1470717 CCCCCCCCCCC(=O)CCCCC(=O)NC1CC1 65f4b2ed7e6a0d81a5b2c651568dbc55 [0,1,0,1,0,0|1,0,1]=4 5469 B22R1.1470717 CCCCCCCCCCC(C)COCCC(=O)NC1CC1 7869ca54683a084e30d006102ffa0fbc [0,1,0,1,0,0|2,0,0]=4 5470 B22R1.1470717 CCCCCCCCCCC(C)OCCCC(=O)NC1CC1 e20f478098959eba181352d41ccfc801 [0,1,0,1,0,0|2,0,0]=4 5471 B22R1.1470717 CCCCCCCCCCC(O)CCCCC(=O)NC1CC1 5d8ac7d8c0c74d484175b92f6751a1b1 [0,1,0,1,0,0|1,0,0]=3 5472 B22R1.1470717 CCCCCCCCCC[C@H](C)OCCCC(=O)NC1CC1 c38b4bc166538a77d87d5047124a6ffc [0,1,0,1,0,0|2,0,0]=4 5473 B22R2.5077 CCCNC(=O)CCCN1CCCCC1C2CCCCC2 ffdd200164a9742e72345ddf9491bc5d [0,0,0,2,0,0|2,0,0]=4 5474 B22R2.30357 CCCNC(=O)CCCN1CCCC1CC2CCCCC2 e7ba65c2fa341dd1bc5b285a91f97184 [0,0,0,2,0,0|2,0,0]=4 5475 B22R2.30423 CCCNC(=O)[C@H]1CCCCN1CCCC2CCCCC2 37c4eecafcaeed17776f834ca0135a96 [0,0,0,2,0,0|2,0,0]=4 5476 B22R2.15844 CCCCCCCCCCCN1CCC2C1CCNC2=O e78c8a21fa1a7325b5ea5bef4126366a [0,0,0,2,0,0|2,0,0]=4 5477 B22R2.4388541 CCCCCCCCCCCN1CCC2C(=O)NCC2C1 e39b8263089a12213745ded25651598a [0,0,0,2,0,0|2,0,0]=4 5478 B22R2.53854 CCCCCCCCCN1CCCCC12CCCNC2=O 280e28ea666ccf661742912b1e13792d [0,0,0,2,0,0|2,0,0]=4 5479 B22R2.2900846 CCCCCCCCCN1CCCC[C@@H]1C(=O)NC2CC2 346c4587ab6e27b793fd7a3defaf4e36 [0,0,0,2,0,0|2,0,0]=4 5480 B22R2.2900846 CCCCCCCCCN1CCCC[C@H]1C(=O)NC2CC2 b6408c2f7cd682d0bce99bf4601898b1 [0,0,0,2,0,0|2,0,0]=4 5481 B22R2.12741283 CCCCCCCCCN1CCCCC1C(=O)N2CCC2 067f4edfc1c623919a9f1377f5a701bb [0,0,0,2,0,0|2,0,0]=4 5482 B22R2.365486 CCCCCCCCCCN1CCCC12CCCNC2=O d75cfa5ff62841a6e989912a2bdc19d1 [0,0,0,2,0,0|2,0,0]=4 5483 B22R2.6596911 CCCCCCCCCCCCN1C[C@@H]2CNC(=O)[C@@H]2C1 c87204cd424321f86df86e531e2a8732 [0,0,0,2,0,0|2,0,0]=4 5484 B22R2.6596911 CCCCCCCCCCCCN1C[C@H]2CNC(=O)[C@H]2C1 2b14d3aff96125a5814cbc0ef2e26cd6 [0,0,0,2,0,0|2,0,0]=4 5485 B22R2.6597413 CCCCCCCCCCN1CCCC1C(=O)NC2CC2 f21f76dfd74c05f3fce3111bd1a7ceba [0,0,0,2,0,0|2,0,0]=4 5486 B22R2.6597413 CCCCCCCCCCN1CCC[C@@H]1C(=O)NC2CC2 a5904693bd3195a9fe0bc9558f851656 [0,0,0,2,0,0|2,0,0]=4 5487 B22R2.6597413 CCCCCCCCCCN1CCC[C@H]1C(=O)NC2CC2 65a2c4d63a8ab63910d41931f0247882 [0,0,0,2,0,0|2,0,0]=4 5488 B22R2.35099254 O=C(CCCOC1CCCCCCCCCC1)NC2CC2 04370095dba761c9755298b8e5b77bf3 [0,0,0,2,0,0|2,0,0]=4 5489 B22R2.35083808 O=C(CCNC1CCCCCCCCCCC1)NC2CC2 2552bf0ea61c232d89f6ace8692c49b6 [0,0,0,2,0,0|2,0,0]=4 5490 B22R2.35083808 O=C(CCOC1CCCCCCCCCCC1)NC2CC2 9c53395bc17adc55d2fcb1b24fed7e61 [0,0,0,2,0,0|2,0,0]=4 5491 B22R2.126820225 O=C(CCNC1CCCCCCCCCCC1)N2CCC2 66822c6d0dcc9096ba26fdab15f6341d [0,0,0,2,0,0|2,0,0]=4 5492 B22R2.126820225 O=C(CCOC1CCCCCCCCCCC1)N2CCC2 2eb04ee77d5c11153412aa262bfa60f6 [0,0,0,2,0,0|2,0,0]=4 5493 B22R2.18898041 CCCCCCCCC1CCCCN1CC(=O)N2CCC2 64d1d460405838a521aaa427545ae7f6 [0,0,0,2,0,0|2,0,0]=4 5494 B22R2.19685029 CCCCCCC1CCCCCN1CCC(=O)N2CCC2 b8064dc0db710561b7d94285f0d591e9 [0,0,0,2,0,0|2,0,0]=4 5495 B22R2.3835427 CCCCCCCCC1CCCCN1CC(=O)NC2CC2 1571b31e618c7d415f139c2e6ff73ead [0,0,0,2,0,0|2,0,0]=4 5496 B22R2.3925863 CCCCCCC1CCCCCN1CCC(=O)NC2CC2 0421fd667dc0dcd1c76e95a08d1fb5dd [0,0,0,2,0,0|2,0,0]=4 5497 B22R2.35401857 CCCCCCCCCCOCC12CCCN1C(=O)CC2 40fb89b7acc84db031162db48c382304 [0,0,0,2,0,0|2,0,0]=4