0 B7R0.6 C=C(Br)CNC(=O)C c92ce6fe27dbf36b4b4cd43120064bb5 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 C=C(Br)CNC(C)C c11e07a13ecc707bc58321e025560b63 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 C=C(C)CNC(C)C a1a7325d3d8a8203023e8236e36cdc1a [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.6 CC(=O)NCC(=O)N 92f9d7b7dd1ea6db16db7dd9d0e64155 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,0,0,0,0,0|1,0,1]=2 10 B7R0.6 CC(=O)NCC(F)F 959be05a9a4844ba21e7e7426b42132e [0,0,0,0,0,0|2,0,1]=3 11 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,0,0,0,0,0|1,0,1]=2 12 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,0,0,0,0,0|1,0,1]=2 13 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,0,0,0,0,0|2,0,1]=3 14 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,0,0,0,0,0|1,0,1]=2 15 B7R0.6 CC(C)NC[C@@H](C)O 78cb9f10bba40f82bff406bb1347d28d [0,0,0,0,0,0|2,0,2]=4 16 B7R0.6 CC(C)NC[C@H](C)O 0239ae5afc06334e0336f0743f1e175c [0,0,0,0,0,0|2,0,2]=4 17 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,0,0,0,0,0|2,0,1]=3 19 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.6 CC(O)CNC(C)C 67ac451099c111ca9b4a88e10960d432 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [1,0,0,0,0,0|1,0,1]=3 22 B6R0.4 C=C(Br)CNC=O 2e020a236ab831176aea02028302e186 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [1,0,0,0,0,0|2,0,0]=3 25 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,0,0,0,0,0|1,0,2]=4 29 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,0,0,0,0,0|1,0,1]=3 31 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,0,0,0,0,0|1,0,1]=3 32 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,0,0,0,0,0|1,0,1]=3 33 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,0,0,0,0,0|0,0,1]=2 34 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,0,0,0,0,0|0,1,1]=3 35 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [1,0,0,0,0,0|1,0,2]=4 37 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,0,0,0,0,0|0,0,1]=2 43 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,0,0,0,0|2,0,1]=4 47 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,0,0,0,0,0|2,0,1]=4 48 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [1,0,0,0,0,0|1,0,1]=3 51 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.4 N#CNCC(=O)N 442d746faa83502c9ff2df116c7418f8 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [1,0,0,0,0,0|1,0,0]=2 55 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [1,0,0,0,0,0|2,0,1]=4 56 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [1,0,0,0,0,0|1,0,2]=4 57 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,0,0,0,0,0|1,0,1]=3 58 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,0,0,0,0,0|0,0,2]=3 59 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.4 O=CNCC(F)F b205fb0d823ccdf5423d257101ba187a [1,0,0,0,0,0|2,0,1]=4 61 B8R0.9 C#CC(=O)NCC(=C)Br 4ad516451ca900da6ce532ebe36edf72 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.9 C#CC(=O)NCC(=C)C 4b9a48576964b8bd3954febe0390bc91 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.9 C#CC(=O)NCC(=O)C e022c1a1be9c879c54777e9a6e6a8b36 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.9 C#CC(=O)NCC(=O)N 2ca35406e7a3e860a89d53aaa434de0f [0,1,0,0,0,0|1,0,1]=3 65 B8R0.9 C#CC(=O)NCC(C)O d06b1fbbe3bccdb17bbcfe3d455fa3bd [0,1,0,0,0,0|1,0,2]=4 66 B8R0.9 C#CC(=O)NC[C@@H](C)O 10b3294b5638bea9282cda41b0b922a3 [0,1,0,0,0,0|1,0,2]=4 67 B8R0.9 C#CC(=O)NC[C@H](C)O 8c9f626c9458795b5c2c126773a4669e [0,1,0,0,0,0|1,0,2]=4 68 B8R0.9 C#CC(C)NCC(=O)C 2ad4abc709ed22d0c1fc1e2c701880d0 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.9 C#CC(C)NCC(=O)N 32d3ca8a304fcc6b77ac118eb613c4d0 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.9 C#CC(C)NCC(=O)O 6d3e097d7e417cba1ca3cc5354bf3682 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.9 C#CC(C)OCC(=O)O 86945981ae8eaaa778f83ec3ae4ff391 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.9 C#C[C@@H](C)NCC(=O)N ae23c8b7683fb792d58192169f61f02d [0,1,0,0,0,0|2,0,1]=4 73 B8R0.9 C#C[C@@H](C)NCC(=O)O 870b1440fbecf6ad620d6ff4e4eac50b [0,1,0,0,0,0|1,0,1]=3 74 B8R0.9 C#C[C@@H](C)OCC(=O)O 9bbfddfb8eea4f6aea8d08313b189ed8 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.9 C#C[C@H](C)NCC(=O)N 79963d7d1eb88702311e6f8108ddfc3d [0,1,0,0,0,0|2,0,1]=4 76 B8R0.9 C#C[C@H](C)NCC(=O)O 3c98bce4a0db3f45a27121a2c37598a6 [0,1,0,0,0,0|1,0,1]=3 77 B8R0.9 C#C[C@H](C)OCC(=O)O 33b89dc76124892fb33f6382d6c567d7 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.9 C=C(Br)CNC(=O)C=O 7d350d35aca973aa90c3864d6fc58f6c [0,1,0,0,0,0|2,0,1]=4 79 B8R0.9 C=C(Br)CNC(=O)CC c87421a176840d2907d7ee2f29f8c8b6 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.9 C=C(Br)CNC(=O)CF 823766bdbdd8f169807ca1383a6272bf [0,1,0,0,0,0|2,0,0]=3 81 B8R0.9 C=C(Br)CNC(=O)CO 5926a7122547338dc7794442d8cc8a79 [0,1,0,0,0,0|2,0,0]=3 82 B8R0.9 C=C(Br)CNC(=O)CS 6b31e3ba1002a8ba74a06110a2f65b06 [0,1,0,0,0,0|2,0,0]=3 83 B8R0.9 C=C(Br)CNC(C)C=O 2fbfbb793b93ff6b0e261f38212d7457 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.9 C=C(Br)CN[C@H](C)C=O 29634f2d540505adcf49d01c9a08f197 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.9 C=C(C)CNC(=O)C=O e25a86e0bb63ccbe7ba4554fc95b9a26 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.9 C=C(C)CNC(=O)CC 32c4b91879f81cdaadb4286b48c67a5d [0,1,0,0,0,0|2,0,0]=3 87 B8R0.9 C=C(C)CNC(=O)CF 9e174f36563c098f37022cb2648c32e5 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.9 C=C(C)CNC(=O)CO ea98526bca8d7363ad41fae75f4ac9a5 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.9 C=C(C)CNC(=O)CS 497b396057e3c61f5cc6dfafc46145da [0,1,0,0,0,0|2,0,0]=3 90 B8R0.9 C=C(C)CNC(C)C=O 6864833eef64092545ed538d146d6b7a [0,1,0,0,0,0|2,0,1]=4 91 B8R0.9 C=C(C)CN[C@H](C)C=O 869deecf92e107378a085fd913f387a7 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.9 C=C(C=O)OCC(=O)N 48e3f59f9cf46c877655a42aec8886d8 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.9 C=C(C=O)OCC(=O)O 51cf25f24ad7581d33b70bddaf0e4f72 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.9 C=CC(=O)NCC(=C)Br 2e21d26328f782b9e48aebcf69e49a2d [0,1,0,0,0,0|2,0,1]=4 95 B8R0.9 C=CC(=O)NCC(=C)C 7a9df38faaf26b94fb6f7de2a447189d [0,1,0,0,0,0|2,0,1]=4 96 B8R0.9 C=CC(=O)NCC(=O)C f3e7b40bd3652c0c7e95694f9b8e4899 [0,1,0,0,0,0|1,0,1]=3 97 B8R0.9 C=CC(=O)NCC(=O)N 20b8ac41e9b4db2afe985e4cd5c593a7 [0,1,0,0,0,0|1,0,1]=3 98 B8R0.9 C=CC(=O)NCC(C)O fa01455d59425b08f532ebd991dbb1af [0,1,0,0,0,0|1,0,2]=4 99 B8R0.9 C=CC(=O)NC[C@@H](C)O 60f11a39a2f100903af1f56f3c922ad0 [0,1,0,0,0,0|1,0,2]=4 100 B8R0.9 C=CC(=O)NC[C@H](C)O c21baab8154cbdc7ba440bfa062d6fdc [0,1,0,0,0,0|1,0,2]=4 101 B8R0.9 C=CC(C)NCC(=O)C b2014bf11d5705e4d318fa019758c231 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.9 C=CC(C)NCC(=O)N 8e99b62ce7b0cacfac123da3e0d44453 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.9 C=CC(C)NCC(=O)O 7295ae78f031d02442986d01915b1589 [0,1,0,0,0,0|1,0,1]=3 104 B8R0.9 C=CC(C)OCC(=O)O a247bec38dd53f48038da06d8390c9f2 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.9 C=CC(O)CNC(=O)C 81607a1da75c9494462df99b512c5607 [0,1,0,0,0,0|1,0,1]=3 106 B8R0.9 C=C[C@H](C)OCC(=O)O 11d6db631afaf24abf76538c811f1efa [0,1,0,0,0,0|2,0,1]=4 107 B8R0.9 CC(=O)CNC(=O)C=O e36f5c6f9913c25cdf6ac5993b0393a1 [0,1,0,0,0,0|1,0,1]=3 108 B8R0.9 CC(=O)CNC(=O)CF 51fe56aa9d240d573ecbdb68032eba65 [0,1,0,0,0,0|1,0,0]=2 109 B8R0.9 CC(=O)CNC(=O)CO d375a24b35361625580ca34c6266f702 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.9 CC(=O)CNC(=O)CS 5d679f8f3bae9d6c5d53fb6156c809ab [0,1,0,0,0,0|1,0,0]=2 111 B8R0.9 CC(=O)CNC(C)C=O 5305abebdd5439cbe27a612adc8c23ab [0,1,0,0,0,0|1,0,1]=3 112 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,1,0,0,0,0|1,0,2]=4 113 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,1,0,0,0,0|1,0,2]=4 114 B8R0.9 CC(=O)CN[C@H](C)C=O aeb82f57e8a877f800a721396ffa0f59 [0,1,0,0,0,0|1,0,1]=3 115 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,1,0,0,0,0|1,0,2]=4 116 B8R0.9 CC(=O)COC(C)C=O b91d02ad7a67994d76fa088d267acff2 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.9 CC(=O)CO[C@H](C)C=O 6df7154fde8ca8fb45e199e7b6ad0f88 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.9 CC(=O)NCC(=O)NO 859b03f5192e57ca509f1bfda110b8fd [0,1,0,0,0,0|0,0,0]=1 119 B8R0.9 CC(=O)NCC(Br)CBr 026233203db163de359d5c31f32507c5 [0,1,0,0,0,0|2,0,1]=4 120 B8R0.9 CC(=O)NCC(C)C#N 70b6e41d7a36e25b863c12e3e2ab9f7c [0,1,0,0,0,0|2,0,1]=4 121 B8R0.9 CC(=O)NCC(C)CO 5107eece73873b4763584dc1449ad61c [0,1,0,0,0,0|1,0,1]=3 122 B8R0.9 CC(=O)NCC(F)CO b8843bcee854bfdd401231e90b011422 [0,1,0,0,0,0|1,0,1]=3 123 B8R0.9 CC(=O)NCC(O)CO a7a306466b1599337a98d4a78b5d781e [0,1,0,0,0,0|0,0,2]=3 124 B8R0.9 CC(=O)NC[C@@H](F)CO 964c0a882da1253a8b823c85e90b43d9 [0,1,0,0,0,0|1,0,1]=3 125 B8R0.9 CC(=O)NC[C@@H](O)CO a8483dbc09c1c7f138b3ed243987530b [0,1,0,0,0,0|0,0,2]=3 126 B8R0.9 CC(=O)NC[C@H](C)CO 5409bde0c2b60b9f7b568586e701b259 [0,1,0,0,0,0|1,0,1]=3 127 B8R0.9 CC(=O)NC[C@H](F)CO 938a8d1e230afccbf699e7334f08d345 [0,1,0,0,0,0|1,0,1]=3 128 B8R0.9 CC(=O)NC[C@H](O)CO 4c725599a6cf504375db5135be307edf [0,1,0,0,0,0|0,0,2]=3 129 B8R0.9 CC(C#N)NCC(=O)N d29bd277beb2ae89e361147ba0b29db1 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.9 CC(C#N)NCC(=O)O b4dc74a9f9a0e75fffde2f481c0af544 [0,1,0,0,0,0|1,0,1]=3 131 B8R0.9 CC(C)CNC(=O)CF 9eb01591588fc3f21824d07c6994c4ce [0,1,0,0,0,0|2,0,1]=4 132 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,1,0,0,0,0|2,0,1]=4 133 B8R0.9 CC(C)CNC(=O)CS 24a37322ef0bc9a4c645dfd16fd4ed0f [0,1,0,0,0,0|2,0,1]=4 134 B8R0.9 CC(C)NCC(=O)NO d714842a0c42249cabffc4dfd5ab50bd [0,1,0,0,0,0|1,0,1]=3 135 B8R0.9 CC(C=O)NCC(=O)N 8e22627cfffb50e4ce2f26bd34026793 [0,1,0,0,0,0|1,0,1]=3 136 B8R0.9 CC(C=O)NCC(=O)O 002ce333b4dccb41c4d993d9c09ef2b3 [0,1,0,0,0,0|0,0,1]=2 137 B8R0.9 CC(C=O)NC[C@@H](C)O d6dc2629bd4430c3bd67a8f081c11379 [0,1,0,0,0,0|1,0,2]=4 138 B8R0.9 CC(C=O)NC[C@H](C)O 7869ad4f3cbe7e38dea9b0d6c90c6141 [0,1,0,0,0,0|1,0,2]=4 139 B8R0.9 CC(C=O)OCC(=O)N e8fdf3bf6f6dfcc63a5ed65bb70bb389 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.9 CC(C=O)OCC(=O)O 564a75409a0d42515a0d6296982e94e6 [0,1,0,0,0,0|1,0,1]=3 141 B8R0.9 CC(C=O)OCS(=O)O 9f51c4b3c988e5d0280d7682a1bfd66e [0,1,0,0,0,0|2,0,1]=4 142 B8R0.9 CC(CF)OCC(=O)O 72064f294e73f6a982bc7e430390395e [0,1,0,0,0,0|2,0,1]=4 143 B8R0.9 CC(CO)NCC(=O)N ca275a4ad15d32e500ba974468999137 [0,1,0,0,0,0|1,0,2]=4 144 B8R0.9 CC(CO)NCC(=O)O 3fa1442f69c9dfa3ad5830b54dce922d [0,1,0,0,0,0|0,0,2]=3 145 B8R0.9 CC(CS)OCC(=O)O 6f586a0cfc007fa60414bad735acd25c [0,1,0,0,0,0|1,1,1]=4 146 B8R0.9 CC(O)CNC(=O)C=O a19c80ebbd3c5b0340f36c5c68b9e508 [0,1,0,0,0,0|1,0,2]=4 147 B8R0.9 CC(O)CNC(=O)CF d59c5e79c77aa7d822e3ecb11dcaef82 [0,1,0,0,0,0|1,0,1]=3 148 B8R0.9 CC(O)CNC(=O)CO 9be864f31d0f9194e8eb36240c465097 [0,1,0,0,0,0|1,0,1]=3 149 B8R0.9 CC(O)CNC(=O)CS dbff926c910e39aef95fc4a90e7f24a8 [0,1,0,0,0,0|1,0,1]=3 150 B8R0.9 CC(O)CNC(C)C=O 383ad87f47185da30b4a1f76d3fc6516 [0,1,0,0,0,0|1,0,2]=4 151 B8R0.9 CC(O)CN[C@H](C)C=O 8a0a71f4d2dc211ad7713289d588e2ee [0,1,0,0,0,0|1,0,2]=4 152 B8R0.9 CCC(=O)NCC(=O)C 5911502c3a8395822fc4c0959647e135 [0,1,0,0,0,0|1,0,0]=2 153 B8R0.9 CCC(=O)NCC(=O)N 07cfd3edf39ace2eb27c9b7f36ff92b5 [0,1,0,0,0,0|1,0,0]=2 154 B8R0.9 CCC(=O)NCC(C)C 80d4e4c057e6f7b9eae8a2bfacaea014 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.9 CCC(=O)NCC(C)O a0cefa62fd20423cdc1bf66278a42129 [0,1,0,0,0,0|1,0,1]=3 156 B8R0.9 CCC(=O)NCC(F)F 4cc4f3b720e259ef94d2e9ddeae5379b [0,1,0,0,0,0|2,0,1]=4 157 B8R0.9 CCC(=O)NC[C@@H](C)O a391cc3778995f10350211a29d249a09 [0,1,0,0,0,0|1,0,1]=3 158 B8R0.9 CCC(=O)NC[C@H](C)O 700448fc71267e87914b635955ddeec8 [0,1,0,0,0,0|1,0,1]=3 159 B8R0.9 CCC(C)CNC(=O)C aa3f1455f544ac3656d43724f45ee4b6 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,1,0,0,0,0|2,0,1]=4 161 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,1,0,0,0,0|2,0,1]=4 162 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,1,0,0,0,0|1,0,1]=3 163 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.9 CCC(O)CNC(=O)C 303ca77168267846269f8e2248e6c650 [0,1,0,0,0,0|1,0,1]=3 165 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,1,0,0,0,0|3,0,0]=4 166 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,1,0,0,0,0|1,0,1]=3 168 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,1,0,0,0,0|2,0,1]=4 169 B8R0.9 CC[C@@H](O)CNC(=O)C 214f1ff21aca62cdd2be0dae45336745 [0,1,0,0,0,0|1,0,1]=3 170 B8R0.9 CC[C@H](C)CNC(=O)C 7308e3222c110d542936eb43984d990d [0,1,0,0,0,0|2,0,1]=4 171 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,1,0,0,0,0|1,0,1]=3 173 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,1,0,0,0,0|2,0,1]=4 174 B8R0.9 CN(C=O)CCC(=O)N 90047bedb23fa37b5b4136a7076e845e [0,1,0,0,0,0|3,0,0]=4 175 B8R0.9 CN(CF)CCC(=O)O 2d013e31aee2f0b22eda4a0cee146222 [0,1,0,0,0,0|3,0,0]=4 176 B8R0.9 CN(CO)CCC(=O)O a563a8e06bffade26f5d2de4c2323adb [0,1,0,0,0,0|2,0,1]=4 177 B8R0.9 CNC(=O)CNC(=O)C c907d9576897cc728ca9c254cf3b05e9 [0,1,0,0,0,0|1,0,0]=2 178 B8R0.9 CNC(=O)CNC(C)C 566e2c52ea2eed119c48dda13ee7cd22 [0,1,0,0,0,0|2,0,1]=4 179 B8R0.9 COC(=O)CNC(=O)C b0f97d8003dd4b6278e13b9959e4a2e1 [0,1,0,0,0,0|0,0,0]=1 180 B8R0.9 COC(=O)CNC(C)C c3733748a55be9c482138184ed5baa45 [0,1,0,0,0,0|1,0,1]=3 181 B8R0.9 COC(=O)COC(C)C 532fce5a880346bf56d52549b85157a8 [0,1,0,0,0,0|2,0,1]=4 182 B8R0.9 CO[C@@H](C)CNC(=O)C 0cf2684fa855f95ea59e4d00d3adab12 [0,1,0,0,0,0|1,0,1]=3 183 B8R0.9 CO[C@H](C)CNC(=O)C 8d64b64f82d28ad11a8f0edbe07358fd [0,1,0,0,0,0|1,0,1]=3 184 B8R0.9 C[C@@H](CO)NCC(=O)N 1720c78da7cf8f54c6473f0f0ad3915f [0,1,0,0,0,0|1,0,2]=4 185 B8R0.9 C[C@@H](CO)NCC(=O)O a4ded20e76f16f8cb0ed35de8a1798b1 [0,1,0,0,0,0|0,0,2]=3 186 B8R0.9 C[C@@H](O)CNC(=O)C=O 2603ee2d0f069eae7661384f7ee697eb [0,1,0,0,0,0|1,0,2]=4 187 B8R0.9 C[C@@H](O)CNC(=O)CF 6a61f49e9c0d24ab6d4f46deb1461e7d [0,1,0,0,0,0|1,0,1]=3 188 B8R0.9 C[C@@H](O)CNC(=O)CO 9634e7d0b81aeff4d0ebcb0b1d05ff89 [0,1,0,0,0,0|1,0,1]=3 189 B8R0.9 C[C@@H](O)CNC(=O)CS 74f2114c184fa00cea5ec42867e295a6 [0,1,0,0,0,0|1,0,1]=3 190 B8R0.9 C[C@H](C=O)NCC(=O)N ef543a8173a46829d7a3deea97b641bf [0,1,0,0,0,0|1,0,1]=3 191 B8R0.9 C[C@H](C=O)NCC(=O)O da0ba3cdacb20d5b725c1d49bf4457c6 [0,1,0,0,0,0|0,0,1]=2 192 B8R0.9 C[C@H](C=O)NC[C@@H](C)O e7c9c037399ac257f04fd04c210bf172 [0,1,0,0,0,0|1,0,2]=4 193 B8R0.9 C[C@H](C=O)OCC(=O)N 0891ae8d42b8c64aeeb2a884817c9c4b [0,1,0,0,0,0|2,0,1]=4 194 B8R0.9 C[C@H](C=O)OCC(=O)O 23da9f85b0c8b6dd61bf484a83ea2877 [0,1,0,0,0,0|1,0,1]=3 195 B8R0.9 C[C@H](C=O)OCS(=O)O 8401cc1464dfb196cf10debf69a3f25d [0,1,0,0,0,0|2,0,1]=4 196 B8R0.9 C[C@H](CO)NCC(=O)N 280db7eb09d450dda3894db03e34aff2 [0,1,0,0,0,0|1,0,2]=4 197 B8R0.9 C[C@H](CO)NCC(=O)O 3604c50bbfd16fc53504ebc03416b43b [0,1,0,0,0,0|0,0,2]=3 198 B8R0.9 C[C@H](CS)OCC(=O)O ec11162dd59d106eaabeedeed690abec [0,1,0,0,0,0|1,1,1]=4 199 B8R0.9 C[C@H](O)CNC(=O)C=O 93688556993d21a2fc23a4f3acf54052 [0,1,0,0,0,0|1,0,2]=4 200 B8R0.9 C[C@H](O)CNC(=O)CF de054442a5e1e940c151636e21f7cde2 [0,1,0,0,0,0|1,0,1]=3 201 B8R0.9 C[C@H](O)CNC(=O)CO a9cb6b1498a706bccaa6d180a5a461c7 [0,1,0,0,0,0|1,0,1]=3 202 B8R0.9 C[C@H](O)CNC(=O)CS a2cc47a92507f6d2ddfbe5205109d70d [0,1,0,0,0,0|1,0,1]=3 203 B8R0.9 C[C@H](O)CN[C@H](C)C=O 53b9e59588b92175a902e97408217ade [0,1,0,0,0,0|1,0,2]=4 204 B8R0.9 NC(=O)CNC(=O)C=O cc16ecbccf6387f209818c0b1994c242 [0,1,0,0,0,0|1,0,1]=3 205 B8R0.9 NC(=O)CNC(=O)CF db593d89e7670a005c774ca2f8374dfb [0,1,0,0,0,0|1,0,0]=2 206 B8R0.9 NC(=O)CNC(=O)CO 653fe2a259064b2314936bfe631decbe [0,1,0,0,0,0|1,0,0]=2 207 B8R0.9 NC(=O)CNC(=O)CS 6e683197f6fdcf4c8284917873578464 [0,1,0,0,0,0|1,0,0]=2 208 B8R0.9 O=C(CF)NCC(F)F 6df71b4d47ba0ff822850b62dc2b163e [0,1,0,0,0,0|2,0,1]=4 209 B8R0.9 O=C(CO)NCC(F)F 7faddb9a1bd570be447e69247bbc7e41 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.9 O=C(CS)NCC(F)F 555b08482ad3b066c244e7c150a80270 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.23 CC(=O)N(C)CC(=O)N 6f58f2f5ad7b07ef07711fc466f59108 [0,1,0,0,0,0|1,0,0]=2 212 B8R0.23 CC(=O)N(C)CC(C)C 89cec52088ed29050ddede06aaad4a16 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.23 CC(=O)N(C)CC(C)O 4e9ef38fdc27d4895833669b87ebf855 [0,1,0,0,0,0|1,0,1]=3 214 B8R0.23 CC(=O)N(C)CC(F)F b0ba98dc396dbab8e5e9f0bdf2b1b2d6 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.23 CC(=O)N(C)C[C@H](C)O 021150eee8136a4b9cf5a9a8729a45c5 [0,1,0,0,0,0|1,0,1]=3 216 B8R0.23 CC(=O)NC(C)C(=O)N 69ea1b0fb4e1891bc844e1c81cd6f7ed [0,1,0,0,0,0|1,0,0]=2 217 B8R0.23 CC(=O)NC(C)C(C)C 44e61c71c404e93b61e4ebb2d17acd25 [0,1,0,0,0,0|2,0,1]=4 218 B8R0.23 CC(=O)NC(C)C(C)O 82d78b22fd9c1b1cb9a6f73c5b23c29f [0,1,0,0,0,0|1,0,1]=3 219 B8R0.23 CC(=O)N[C@@H](C)C(=O)N 1daed479b13f5a4dee80df6bef80207a [0,1,0,0,0,0|1,0,0]=2 220 B8R0.23 CC(=O)N[C@@H](C)C(C)C 020b2d58d09d222117d5a013059e1c42 [0,1,0,0,0,0|2,0,1]=4 221 B8R0.23 CC(=O)N[C@@H](C)C(F)F 22488b68f94b27687795c9433c1222cc [0,1,0,0,0,0|2,0,1]=4 222 B8R0.23 CC(=O)N[C@H](C)C(=O)N d4ac5a93c8007d546d5eddc7f5fb26e4 [0,1,0,0,0,0|1,0,0]=2 223 B8R0.23 CC(=O)N[C@H](C)C(C)C 1a8a59449f9523fa08b3f0d029907e07 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.23 CC(=O)N[C@H](C)C(F)F 39323a7f6823bde98b326479b7aa9573 [0,1,0,0,0,0|2,0,1]=4 225 B8R0.23 CC(C)N(C)CC(=O)N 40fedc251db3e73f4c6c403ff754fd20 [0,1,0,0,0,0|2,0,1]=4 226 B8R0.23 CC(C)N(C)CC(=O)O 402f1d7c3b958af1fceb64bdcde4405c [0,1,0,0,0,0|1,0,1]=3 227 B8R0.23 CC(C)NC(C)C(=O)N a5bc7ca7b26f70e25af65a6a1a9f3a6a [0,1,0,0,0,0|2,0,1]=4 228 B8R0.23 CC(C)NC(C)C(=O)O 14fb43a096987787a4c4cfde0de411d4 [0,1,0,0,0,0|1,0,1]=3 229 B8R0.23 CC(C)NC(O)C(=O)O 9854a2bbdccc28b8651cc97fd5606c53 [0,1,0,0,0,0|1,0,1]=3 230 B8R0.23 CC(C)N[C@@H](C)C(=O)N 5f6838b5769e3be13957b346a9b1c5a9 [0,1,0,0,0,0|2,0,1]=4 231 B8R0.23 CC(C)N[C@@H](C)C(=O)O 97090174d192ee499ea4beaa2fe31161 [0,1,0,0,0,0|1,0,1]=3 232 B8R0.23 CC(C)N[C@H](C)C(=O)N 218299f571bd8ab6e55ebde7f90f3dc6 [0,1,0,0,0,0|2,0,1]=4 233 B8R0.23 CC(C)N[C@H](C)C(=O)O 1a6c2905adf438d6c173d7efe8c0cadc [0,1,0,0,0,0|1,0,1]=3 234 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,1,0,0,0,0|2,0,1]=4 235 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,1,0,0,0,0|2,0,1]=4 237 B8R0.29 CC(=O)NCC(C)(C)C 9462e7ac263ac589a01977b5f7e527a7 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.29 CC(=O)NCC(C)(C)O ac59c5875c8df765f15b4c858063fbc9 [0,1,0,0,0,0|1,0,1]=3 239 B8R0.29 CC(=O)NCC(C)(F)F 85b59edaed57293b7ea10c77927ba201 [0,1,0,0,0,0|2,0,1]=4 240 B8R0.29 CC(=O)NCC(F)(F)F 196b1cf1b776586385ca84e5730a5634 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.29 CC(=O)NCS(=O)(=O)O 1a40c2cf0952690abb086f32b64116de [0,1,0,0,0,0|1,0,0]=2 242 B8R0.29 CC(C)(C)NCC(=O)N bc7ea50a25eec83821fcbddcdcab7596 [0,1,0,0,0,0|2,0,1]=4 243 B8R0.29 CC(C)(C)NCC(=O)O 139b26a0be92451287fa1082e3371d98 [0,1,0,0,0,0|1,0,1]=3 244 B8R0.29 CC(C)NCS(=O)(=O)O 8264390a638eb5c172e1c9c505e3993b [0,1,0,0,0,0|2,0,1]=4 245 B8R1.20 CC(=O)NC1CC1C 1768a28e3842ccc949f84e026e8d58f3 [0,0,0,1,0,0|2,0,1]=4 246 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F bc7a6eb1a99ce556c18fcaf7f0c75c37 [0,0,0,1,0,0|2,0,1]=4 247 B8R1.20 CC(=O)N[C@H]1C[C@@H]1F 576115c90eccc628d4e941f7a7852f6c [0,0,0,1,0,0|2,0,1]=4 248 B8R1.20 CC(=O)N[C@H]1C[C@H]1F 8cb83b6d110bbd78098fefdd41f3f45a [0,0,0,1,0,0|2,0,1]=4 249 B8R1.23 CC(=O)N1CC(C1)F cba0abc01d5766c34fe5531513946933 [0,0,0,1,0,0|2,0,1]=4 250 B8R1.23 CC(=O)N1CC(C1)O 77ab01a2253fd049b876c0a3e724463e [0,0,0,1,0,0|1,0,1]=3 251 B8R1.35 CC(=O)CNC1CC1 bc0778517edf8997c2cb438d2c68c0b3 [0,0,0,1,0,0|2,0,1]=4 252 B8R1.35 CC(=O)NCC1CC1 a9186e5a31a6f613e1b56d3a88df1d54 [0,0,0,1,0,0|2,0,1]=4 253 B8R1.35 NC(=O)CNC1CC1 a00288a750d00bc42baa6fd0a0cd1bb6 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,0,0,1,0,0|1,0,1]=3 255 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,0,0,1,0,0|2,0,1]=4 256 B8R1.77 CC(=O)N1CC1(C)C 590117534e705036bf11af3121bac41b [0,0,0,1,0,0|2,0,1]=4 257 B8R0.28 C=C(Br)CNCC(=O)C 0d597f53ebe2890dfc6a0457f76a5fcb [0,0,0,0,0,1|2,0,0]=3 258 B8R0.28 C=C(Br)CNCC(=O)N 613c6d4ab12104eca99727e63596bccd [0,0,0,0,0,1|2,0,1]=4 259 B8R0.28 C=C(Br)CNCC(=O)O 05b7dbb61d35e1c0bd7bb81a555d18bd [0,0,0,0,0,1|1,0,1]=3 260 B8R0.28 C=C(Br)COCC(=O)C 2998d15811d05ee94864f071d160f5f0 [0,0,0,0,0,1|3,0,0]=4 261 B8R0.28 C=C(Br)COCC(=O)O e8e184098bedf613b29dafbf59df235c [0,0,0,0,0,1|2,0,1]=4 262 B8R0.28 C=C(C)CCNC(=O)C aad0094172f39db5c54a5f1ed27a8fb8 [0,0,0,0,0,1|2,0,0]=3 263 B8R0.28 C=C(C)CNCC(=C)Br 7a86700029f10cc7328b698ddf7ebb81 [0,0,0,0,0,1|3,0,0]=4 264 B8R0.28 C=C(C)CNCC(=C)C ce8fef6b96794158a2a7f2c5084df290 [0,0,0,0,0,1|3,0,0]=4 265 B8R0.28 C=C(C)CNCC(=C)Cl 8e5abd738734f040c72b162d12175c4b [0,0,0,0,0,1|3,0,0]=4 266 B8R0.28 C=C(C)CNCC(=C)F 3277194697a0554f66b312d9b340b68a [0,0,0,0,0,1|3,0,0]=4 267 B8R0.28 C=C(C)CNCC(=O)C 78f45c6f7509cf460bc1a071e894d38c [0,0,0,0,0,1|2,0,0]=3 268 B8R0.28 C=C(C)CNCC(=O)N 8581ddd0da23c9284f8dc88ea47d82e4 [0,0,0,0,0,1|2,0,0]=3 269 B8R0.28 C=C(C)CNCC(=O)O d2fb071764818c27006da68838bfc61e [0,0,0,0,0,1|1,0,0]=2 270 B8R0.28 C=C(C)CNCC(C)O 2b714059ab9907260e6aaccb52d1cb14 [0,0,0,0,0,1|2,0,1]=4 271 B8R0.28 C=C(C)CNC[C@@H](C)O c594a1781a89398e4ea1a6fed43fc869 [0,0,0,0,0,1|2,0,1]=4 272 B8R0.28 C=C(C)CNC[C@H](C)O a78b3c91bc5afc2963451088f5a91de2 [0,0,0,0,0,1|2,0,1]=4 273 B8R0.28 C=C(C)CNC[N+](=O)[O-] 415a96ed9c22601dccb4b5a8e0df8c15 [0,0,0,0,0,1|2,0,1]=4 274 B8R0.28 C=C(C)COCC(=O)C 3742b2df3a9a917d85dc43f50a8243d8 [0,0,0,0,0,1|3,0,0]=4 275 B8R0.28 C=C(C)COCC(=O)N 2e0576688aeeb2ae46f807ab3429eaee [0,0,0,0,0,1|3,0,0]=4 276 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [0,0,0,0,0,1|2,0,0]=3 277 B8R0.28 C=C(C)COCS(=O)O a8428e5ac296d31c343bfaabd9a1be0e [0,0,0,0,0,1|3,0,0]=4 278 B8R0.28 C=C(Cl)CNCC(=O)C 6407914012707c1ab5fd2c79654fa535 [0,0,0,0,0,1|2,0,0]=3 279 B8R0.28 C=C(Cl)CNCC(=O)N 7c8916fb7e7eeb0371664f121b45da36 [0,0,0,0,0,1|2,0,1]=4 280 B8R0.28 C=C(Cl)CNCC(=O)O 0ea0d61f8e1c4c420d416d9dc1a60953 [0,0,0,0,0,1|1,0,1]=3 281 B8R0.28 C=C(Cl)COCC(=O)C ad4435b5d09240ae6535f809383ea097 [0,0,0,0,0,1|3,0,0]=4 282 B8R0.28 C=C(Cl)COCC(=O)O ee8599d3a22727e83bdc3c798e5397dc [0,0,0,0,0,1|2,0,1]=4 283 B8R0.28 C=C(F)CNCC(=O)C 472ef255a1d32a88dcdb7879c6c91d0d [0,0,0,0,0,1|2,0,0]=3 284 B8R0.28 C=C(F)CNCC(=O)N ee22e010fabb455a65c1b5e9585a67b6 [0,0,0,0,0,1|2,0,1]=4 285 B8R0.28 C=C(F)CNCC(=O)O aab76ef26695cab61ed52383b845bb72 [0,0,0,0,0,1|1,0,1]=3 286 B8R0.28 C=C(F)COCC(=O)C 3b49497466c0b1ff9d1a27fea6f908e8 [0,0,0,0,0,1|3,0,0]=4 287 B8R0.28 C=C(F)COCC(=O)O f5776b84ba2c7eb610e1eea7ce1c5fab [0,0,0,0,0,1|2,0,1]=4 288 B8R0.28 C=C(I)COCC(=O)O 52bbc10c521352de8ec4983b6d539a87 [0,0,0,0,0,1|2,0,1]=4 289 B8R0.28 CC(=O)CNCC(=O)N bbda1f980dd395779fd519fc93ff8e42 [0,0,0,0,0,1|1,0,0]=2 290 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [0,0,0,0,0,1|0,0,0]=1 291 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,0,0,0,0,1|2,0,1]=4 292 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,0,0,0,0,1|1,0,1]=3 293 B8R0.28 CC(=O)CNCC(F)F 040d59234b7876c01745adf80e5ff725 [0,0,0,0,0,1|2,0,1]=4 294 B8R0.28 CC(=O)CNCN(C)C ec5ebd7a403a45eadc9cad461d333fc2 [0,0,0,0,0,1|3,0,0]=4 295 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,0,0,0,0,1|1,0,1]=3 296 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,0,0,0,0,1|1,0,1]=3 297 B8R0.28 CC(=O)CNC[N+](=O)[O-] 7a3a82e3de6714645b5bb71bc9461698 [0,0,0,0,0,1|1,0,1]=3 298 B8R0.28 CC(=O)COCC(=O)N 7a09bf9a262295e1e2b0e443dba0be09 [0,0,0,0,0,1|2,0,0]=3 299 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [0,0,0,0,0,1|1,0,0]=2 300 B8R0.28 CC(=O)COC[N+](=O)[O-] 11dd7b7f3de37b7e5c4abf1dcb73583f [0,0,0,0,0,1|2,0,1]=4 301 B8R0.28 CC(=O)NCC=C(C)C 7c7868b44759d01e31a9aacecfcd8b3c [0,0,0,0,0,1|2,0,0]=3 302 B8R0.28 CC(=O)NCCC(=O)N 827b1ffc457a73bdad9dad1a9ea1d8a3 [0,0,0,0,0,1|1,0,0]=2 303 B8R0.28 CC(=O)NCCC(=S)N 80570d0c786305766e6afa5b1bb610c3 [0,0,0,0,0,1|1,1,0]=3 304 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,0,0,0,0,1|2,0,1]=4 305 B8R0.28 CC(=O)NCCC(C)O 9f83d99fdee0bda30ff85f31b4ee4b24 [0,0,0,0,0,1|1,0,1]=3 306 B8R0.28 CC(=O)NCCC(F)F 4173536c2fddb4363b9de4250b8bab34 [0,0,0,0,0,1|2,0,1]=4 307 B8R0.28 CC(=O)NCCN(C)C 4d10f56d353a729da2aad8b96e7ef495 [0,0,0,0,0,1|3,0,0]=4 308 B8R0.28 CC(=O)NCCS(=O)C f793348c68f8cf140d26df72f9958533 [0,0,0,0,0,1|2,0,0]=3 309 B8R0.28 CC(=O)NCCS(=O)O 7023ecca400195c2464a327147893c5f [0,0,0,0,0,1|1,0,0]=2 310 B8R0.28 CC(=O)NCC[C@@H](C)O 40ba395f3243b6aab3575e45be2f2594 [0,0,0,0,0,1|1,0,1]=3 311 B8R0.28 CC(=O)NCC[C@H](C)O ac547764dcce609b723a03cd4268cf9c [0,0,0,0,0,1|1,0,1]=3 312 B8R0.28 CC(=O)NCOC(C)C 05afe8e43df805f9cf6a2136caacdf0b [0,0,0,0,0,1|2,0,1]=4 313 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,0,0,0,0,1|2,0,1]=4 314 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,0,0,0,0,1|1,0,1]=3 315 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,0,0,0,0,1|2,0,1]=4 316 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,0,0,0,0,1|2,0,1]=4 317 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,0,0,0,0,1|1,0,1]=3 318 B8R0.28 CC(C)NCCS(=O)O 263a3deff9fb38c3a098f5239db29a80 [0,0,0,0,0,1|2,0,1]=4 319 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,0,0,0,0,1|2,0,1]=4 320 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [0,0,0,0,0,1|2,0,1]=4 321 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,0,0,0,0,1|1,0,2]=4 322 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,0,0,0,0,1|0,0,2]=3 323 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [0,0,0,0,0,1|1,1,1]=4 324 B8R0.28 CN(C)CNCC(=O)N 61dc06082070ca26d637fe3f6c04d6ee [0,0,0,0,0,1|3,0,0]=4 325 B8R0.28 CN(C)CNCC(=O)O e6fa8314318b79cfd8ae4ca00ea3b758 [0,0,0,0,0,1|2,0,0]=3 326 B8R0.28 CN(C)COCC(=O)O fc3ba42b9747b2743ad7eda51803bfcf [0,0,0,0,0,1|3,0,0]=4 327 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [0,0,0,0,0,1|2,0,1]=4 328 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,0,0,0,0,1|1,0,2]=4 329 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,0,0,0,0,1|0,0,2]=3 330 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [0,0,0,0,0,1|2,0,1]=4 331 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,0,0,0,0,1|1,0,2]=4 332 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,0,0,0,0,1|0,0,2]=3 333 B8R0.28 NC(=O)CNCC(=O)N 1869e6b85d32c869afb793b481c9e53a [0,0,0,0,0,1|2,0,0]=3 334 B8R0.28 NC(=O)CNCC(=O)O f2703709dbe66eb9eafa6a5e3a6833d0 [0,0,0,0,0,1|1,0,0]=2 335 B8R0.28 NC(=O)CNC[N+](=O)[O-] dae18960326b904b6b1ec23137a91f74 [0,0,0,0,0,1|2,0,1]=4 336 B8R0.28 NC(=O)COCC(=O)N 1d54b946a21ae0d810b48883329d2917 [0,0,0,0,0,1|3,0,0]=4 337 B8R0.28 NC(=O)COCC(=O)O ca1a8d30b253d832771128a06ed499a3 [0,0,0,0,0,1|2,0,0]=3 338 B8R0.28 NC(=O)COCS(=O)O 69298b969cdd7f9a6e0864a9e1722ad2 [0,0,0,0,0,1|3,0,0]=4 339 B8R0.28 NC(=S)COCC(=O)O 29d31950ca99b5fd12dd696af3cc0c91 [0,0,0,0,0,1|2,1,0]=4 340 B8R0.28 O=C(O)CNCC(=O)O 7ab7bcf73fc666bf191dd4d7783c1974 [0,0,0,0,0,1|1,0,0]=2 341 B8R0.28 O=C(O)CNCC(F)F 040842ed6827b9851af762c119c56595 [0,0,0,0,0,1|2,0,1]=4 342 B8R0.28 O=C(O)CNC[N+](=O)[O-] 806b61457d3ba2a02c5db02823c3bf09 [0,0,0,0,0,1|2,0,0]=3 343 B8R0.28 O=C(O)COCC(=O)O c0e1c849c7114f9f4b4ce529ad852b29 [0,0,0,0,0,1|2,0,0]=3 344 B8R0.28 O=C(O)COCS(=O)O 5f5dfe808e062671c6c68f22db3ca309 [0,0,0,0,0,1|3,0,0]=4 345 B8R0.28 O=C(O)COC[N+](=O)[O-] 6de314e5255acc45a8e7039e67021f9e [0,0,0,0,0,1|3,0,0]=4 346 B5R0.1 CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [2,0,0,0,0,0|1,0,1]=4 347 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [2,0,0,0,0,0|1,0,1]=4 348 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [2,0,0,0,0,0|0,0,2]=4 349 B5R0.2 N#CCNC=O 80b3c5a6fd13156c1522f1a3270bb14c [2,0,0,0,0,0|1,0,1]=4 350 B5R0.2 N#CNCC=O 3856e5cdadd94d32cd8b2d487f474d44 [2,0,0,0,0,0|1,0,1]=4 351 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [2,0,0,0,0,0|1,0,1]=4 352 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [2,0,0,0,0,0|1,0,1]=4 353 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [2,0,0,0,0,0|1,0,1]=4 354 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [2,0,0,0,0,0|0,0,1]=3 355 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [2,0,0,0,0,0|0,1,1]=4 356 B7R0.2 C#CC(C)NC(=O)C 30a91f9e689320cab67e7176279a027a [1,1,0,0,0,0|1,0,1]=4 357 B7R0.2 C#C[C@@H](C)NC(=O)C b5f4cb4c2ca82f0d4e132f2977db08a6 [1,1,0,0,0,0|1,0,1]=4 358 B7R0.2 C#C[C@H](C)NC(=O)C adfc3d71c946a289355ab55f3775ec5f [1,1,0,0,0,0|1,0,1]=4 359 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [1,1,0,0,0,0|1,0,0]=3 360 B7R0.2 CC(=O)NC(C)C#N 5c82a898464bc97e12136e75988ac4b5 [1,1,0,0,0,0|1,0,1]=4 361 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [1,1,0,0,0,0|0,0,1]=3 362 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [1,1,0,0,0,0|0,0,1]=3 363 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [1,1,0,0,0,0|0,0,1]=3 364 B7R0.2 CC(O)CN(C)C=O 327f1a278ffacbbe3e88f0ce0c9edbdc [1,1,0,0,0,0|1,0,1]=4 365 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [1,1,0,0,0,0|1,0,1]=4 366 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [1,1,0,0,0,0|1,0,1]=4 367 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [1,1,0,0,0,0|0,0,1]=3 368 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [1,1,0,0,0,0|1,0,1]=4 369 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [1,1,0,0,0,0|1,0,1]=4 370 B7R0.2 CN(C=O)CC(=O)N 647b1daaec1cafb5c97dc5a4d13d2291 [1,1,0,0,0,0|1,0,0]=3 371 B7R0.2 CN(CF)CC(=O)O 7d1eb1d71c500640f6029a70869bff49 [1,1,0,0,0,0|1,0,1]=4 372 B7R0.2 CN(CO)CC(=O)O e8788fe9a5132c43f9e5136dbe3278ce [1,1,0,0,0,0|0,0,2]=4 373 B7R0.2 C[C@H](O)CN(C)C=O 25d41e47dcdadeb17ce6f98cdd60ebbc [1,1,0,0,0,0|1,0,1]=4 374 B7R0.3 C#CC(=O)NCCO c110abd6360d09a8f1de8aab1b75fd14 [1,1,0,0,0,0|0,0,2]=4 375 B7R0.3 C#CC(C)NCC=O ee5942f89b23fd86f41ead0eb91f1f2e [1,1,0,0,0,0|1,0,1]=4 376 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [1,1,0,0,0,0|1,0,1]=4 377 B7R0.3 C#CCNC(=O)CF eb4eda342cbed92c949eab745f85779c [1,1,0,0,0,0|1,0,1]=4 378 B7R0.3 C#CCNC(=O)CO 2c93e118ea6c2ce38cf0db5343c819bd [1,1,0,0,0,0|1,0,1]=4 379 B7R0.3 C#CCNC(=O)CS cd4e37f8b8830653a130a09363dce8f6 [1,1,0,0,0,0|1,0,1]=4 380 B7R0.3 C#C[C@@H](C)NCC=O 5e75d1c6c4c57369266bed642bd09c8c [1,1,0,0,0,0|1,0,1]=4 381 B7R0.3 C#C[C@H](C)NCC=O a08e4dd67e9c6ea8e5647895c6d0c01d [1,1,0,0,0,0|1,0,1]=4 382 B7R0.3 C=C(C=O)OCC=O d72a2d0abab614f8d0895b26ef9c5aa1 [1,1,0,0,0,0|1,0,1]=4 383 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [1,1,0,0,0,0|0,0,2]=4 384 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [1,1,0,0,0,0|1,0,1]=4 385 B7R0.3 C=CC(O)CNC=O f2c9977b6c02b5fa6463f931ed217f56 [1,1,0,0,0,0|1,0,1]=4 386 B7R0.3 CC(C#N)NCC=O 69c055aa64463f8147e8c2a5cf4caa1a [1,1,0,0,0,0|1,0,1]=4 387 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [1,1,0,0,0,0|0,0,2]=4 388 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [1,1,0,0,0,0|1,0,1]=4 389 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [1,1,0,0,0,0|1,0,1]=4 390 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [1,1,0,0,0,0|0,0,2]=4 391 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [1,1,0,0,0,0|1,0,1]=4 392 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [1,1,0,0,0,0|1,0,1]=4 393 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [1,1,0,0,0,0|1,0,1]=4 394 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [1,1,0,0,0,0|0,0,1]=3 396 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [1,1,0,0,0,0|0,1,1]=4 397 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [1,1,0,0,0,0|1,0,1]=4 398 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [1,1,0,0,0,0|1,0,1]=4 399 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [1,1,0,0,0,0|1,0,1]=4 400 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [1,1,0,0,0,0|1,0,1]=4 402 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [1,1,0,0,0,0|1,0,1]=4 403 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [1,1,0,0,0,0|1,0,1]=4 404 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [1,1,0,0,0,0|0,0,1]=3 405 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [1,1,0,0,0,0|0,0,1]=3 406 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [1,1,0,0,0,0|1,0,1]=4 407 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [1,1,0,0,0,0|1,0,1]=4 408 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [1,1,0,0,0,0|1,0,1]=4 409 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [1,1,0,0,0,0|1,0,1]=4 410 B7R0.3 CNC(=O)CNC=O c5a039538783b02b98603872d662eafb [1,1,0,0,0,0|1,0,0]=3 411 B7R0.3 COC(=O)CNC#N 05f4cf7e93aff5d764fa5ad76ede0782 [1,1,0,0,0,0|1,0,1]=4 412 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [1,1,0,0,0,0|0,0,0]=2 413 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [1,1,0,0,0,0|1,0,1]=4 414 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [1,1,0,0,0,0|0,0,2]=4 415 B7R0.3 CO[C@@H](C)CNC=O cbdf409ea735afb7a574d69375fb28db [1,1,0,0,0,0|1,0,1]=4 416 B7R0.3 CO[C@H](C)CNC=O 943b01dc3bd1c6157c7dfb62f870e0a6 [1,1,0,0,0,0|1,0,1]=4 417 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [1,1,0,0,0,0|0,0,2]=4 418 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [1,1,0,0,0,0|0,0,2]=4 419 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [1,1,0,0,0,0|1,0,1]=4 420 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [1,1,0,0,0,0|0,0,2]=4 421 B7R0.3 N#CCNC(=O)CF 22102b1fd1778f1d4d858f860cd4e7f5 [1,1,0,0,0,0|1,0,1]=4 422 B7R0.3 N#CCNC(=O)CO 8dbd9904ced2105da92f338ff81f2cd3 [1,1,0,0,0,0|1,0,1]=4 423 B7R0.3 N#CCNC(=O)CS 86a7da4cf1eaa1e98a4819073113dcc9 [1,1,0,0,0,0|1,0,1]=4 424 B7R0.3 N#CNCC(=O)CO 70d7ce6c717a89b56589c42b1345533c [1,1,0,0,0,0|1,0,1]=4 425 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [1,1,0,0,0,0|1,0,1]=4 426 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [1,1,0,0,0,0|1,0,1]=4 427 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [1,1,0,0,0,0|1,0,1]=4 428 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [1,1,0,0,0,0|0,0,1]=3 429 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [1,1,0,0,0,0|0,1,1]=4 430 B7R0.3 O=C(CNCF)NO 56dda9ea00f77e2491394a26c36ddff8 [1,1,0,0,0,0|1,0,1]=4 431 B7R0.3 O=C(CNCO)NO be629e88994a31d4135b42794d1a980e [1,1,0,0,0,0|0,0,2]=4 432 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [1,1,0,0,0,0|1,0,1]=4 433 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [1,1,0,0,0,0|1,0,1]=4 434 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [1,1,0,0,0,0|1,0,1]=4 435 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [1,1,0,0,0,0|0,0,1]=3 436 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [1,1,0,0,0,0|0,1,1]=4 437 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [1,1,0,0,0,0|1,0,1]=4 438 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [1,1,0,0,0,0|1,0,1]=4 439 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [1,1,0,0,0,0|1,0,1]=4 440 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [1,1,0,0,0,0|0,0,1]=3 441 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [1,1,0,0,0,0|0,1,1]=4 442 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [1,1,0,0,0,0|0,0,2]=4 443 B7R0.3 O=CNCC(=O)NO 2a6f44f0a455b32a62c0f05c89977d8b [1,1,0,0,0,0|0,0,0]=2 444 B7R0.3 O=CNCC(F)CO 20b10b91868850c2fa4696a502438329 [1,1,0,0,0,0|1,0,1]=4 445 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [1,1,0,0,0,0|0,0,2]=4 446 B7R0.3 O=CNC[C@@H](F)CO fe3e6de1ebe35bf08c36352dbce26e10 [1,1,0,0,0,0|1,0,1]=4 447 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [1,1,0,0,0,0|0,0,2]=4 448 B7R0.3 O=CNC[C@H](F)CO 22ed73e19a0bc3d8fec3d0ab621da9c9 [1,1,0,0,0,0|1,0,1]=4 449 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [1,1,0,0,0,0|0,0,2]=4 450 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [1,1,0,0,0,0|1,0,1]=4 451 B7R0.4 C#CCNCC(=O)C 5de972c5592516dd50641220afa1c072 [1,1,0,0,0,0|1,0,1]=4 452 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [1,1,0,0,0,0|0,0,2]=4 453 B7R0.4 C=C(Br)CNCC=O e2d5057e5415c014e4eba7dcda8d7077 [1,1,0,0,0,0|1,0,1]=4 454 B7R0.4 C=C(C)CCNC=O 4d615a3112b965fa05f258614a56fe4d [1,1,0,0,0,0|2,0,0]=4 455 B7R0.4 C=C(C)CNCC=O 9d28817af531c4aeff91a0e804528258 [1,1,0,0,0,0|1,0,0]=3 456 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [1,1,0,0,0,0|1,0,1]=4 457 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [1,1,0,0,0,0|2,0,0]=4 458 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [1,1,0,0,0,0|1,0,0]=3 459 B7R0.4 C=CCNCC(=C)C 41a7db76b72ad250995c42f746d79056 [1,1,0,0,0,0|2,0,0]=4 460 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [1,1,0,0,0,0|1,0,0]=3 461 B7R0.4 C=CCNCC(=O)N 4c9ed8797e68589a4063017023a51a00 [1,1,0,0,0,0|1,0,1]=4 462 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [1,1,0,0,0,0|0,0,1]=3 463 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [1,1,0,0,0,0|2,0,0]=4 464 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [1,1,0,0,0,0|1,0,1]=4 465 B7R0.4 CC#CCNC(=O)C 0b9b1f8c1419bc28dc48ec1c6507ca3d [1,1,0,0,0,0|1,0,1]=4 466 B7R0.4 CC(=CCNC=O)C aa6f8132c2b4d81390aba70f51f750c7 [1,1,0,0,0,0|2,0,0]=4 467 B7R0.4 CC(=O)CNCC#N 3143039d9319d06def2c85775b65f22b [1,1,0,0,0,0|1,0,1]=4 468 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [1,1,0,0,0,0|0,0,0]=2 469 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [1,1,0,0,0,0|1,0,1]=4 470 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [1,1,0,0,0,0|0,0,1]=3 471 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [1,1,0,0,0,0|0,1,1]=4 472 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [1,1,0,0,0,0|1,0,0]=3 473 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [1,1,0,0,0,0|1,0,1]=4 474 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [1,1,0,0,0,0|1,0,1]=4 475 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [1,1,0,0,0,0|0,0,1]=3 476 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [1,1,0,0,0,0|0,0,1]=3 477 B7R0.4 CC(=O)NCOCF bbf9571051543191a8870eae955bf479 [1,1,0,0,0,0|1,0,1]=4 478 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [1,1,0,0,0,0|1,0,1]=4 479 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [1,1,0,0,0,0|1,0,1]=4 480 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [1,1,0,0,0,0|0,0,2]=4 481 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [1,1,0,0,0,0|1,0,0]=3 482 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [1,1,0,0,0,0|1,0,1]=4 485 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [1,1,0,0,0,0|0,0,1]=3 486 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [1,1,0,0,0,0|1,0,1]=4 487 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [1,1,0,0,0,0|1,0,1]=4 488 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [1,1,0,0,0,0|0,0,1]=3 489 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [1,1,0,0,0,0|1,0,1]=4 492 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [1,1,0,0,0,0|0,0,1]=3 493 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [1,1,0,0,0,0|1,0,1]=4 494 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [1,1,0,0,0,0|1,0,1]=4 495 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [1,1,0,0,0,0|0,0,1]=3 496 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [1,1,0,0,0,0|1,0,1]=4 497 B7R0.4 CS(=O)CCNC=O 16cc205a7133a7d223ff6dc33bd772e5 [1,1,0,0,0,0|2,0,0]=4 498 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [1,1,0,0,0,0|0,1,1]=4 499 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [1,1,0,0,0,0|1,0,1]=4 500 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [1,1,0,0,0,0|0,0,1]=3 502 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [1,1,0,0,0,0|1,0,1]=4 503 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [1,1,0,0,0,0|1,0,1]=4 504 B7R0.4 C[C@@H](O)CNCC=O ae52f375140c99168e4849031ee267c7 [1,1,0,0,0,0|0,0,2]=4 505 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [1,1,0,0,0,0|1,0,1]=4 506 B7R0.4 C[C@H](O)CNCC=O 58f727508ba2f4be3dc454ceda8497a8 [1,1,0,0,0,0|0,0,2]=4 507 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [1,1,0,0,0,0|0,0,2]=4 508 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [1,1,0,0,0,0|1,0,1]=4 509 B7R0.4 NC(=O)CCNC=O 050e6ba173611e3f300554dbc19881d0 [1,1,0,0,0,0|1,0,0]=3 510 B7R0.4 NC(=O)CNCC=O 814f24c650e32f1313a12556cffef937 [1,1,0,0,0,0|1,0,0]=3 511 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [1,1,0,0,0,0|1,0,1]=4 513 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [1,1,0,0,0,0|1,0,1]=4 514 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [1,1,0,0,0,0|1,0,1]=4 515 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [1,1,0,0,0,0|1,0,1]=4 516 B7R0.4 NC(=O)COCC=O 352ad5d7e552372f66c1eb7b799ac531 [1,1,0,0,0,0|2,0,0]=4 517 B7R0.4 NC(=S)CCNC=O f6a23fd7dc0dc512f1366bbdac8ed6be [1,1,0,0,0,0|1,1,0]=4 518 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [1,1,0,0,0,0|1,0,1]=4 519 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [1,1,0,0,0,0|0,0,2]=4 520 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [1,1,0,0,0,0|2,0,0]=4 521 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [1,1,0,0,0,0|0,0,1]=3 522 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [1,1,0,0,0,0|0,0,1]=3 523 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [1,1,0,0,0,0|0,0,1]=3 524 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [1,1,0,0,0,0|0,0,1]=3 525 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [1,1,0,0,0,0|0,0,1]=3 526 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [1,1,0,0,0,0|1,0,1]=4 527 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [1,1,0,0,0,0|1,0,1]=4 528 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [1,1,0,0,0,0|0,0,0]=2 529 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [1,1,0,0,0,0|1,0,0]=3 530 B7R0.4 O=CCOCS(=O)O 141d1f578b26500f644754e34ae7763f [1,1,0,0,0,0|2,0,0]=4 531 B7R0.4 O=CNCCS(=O)O 70e230477665e9d8fed41cd897568279 [1,1,0,0,0,0|1,0,0]=3 532 B7R0.5 C#CCN(C)C(=O)C 4c2838202c8d4a7447032fb8e60c10bd [1,1,0,0,0,0|1,0,1]=4 533 B7R0.5 C=CCN(C)C(=O)C 77714e98bf9639848b13a6be6674f5f4 [1,1,0,0,0,0|1,0,0]=3 534 B7R0.5 CC(=O)N(C)CC#N cce5ba08a0b5b4e42f2a8adc17c92fd8 [1,1,0,0,0,0|1,0,1]=4 535 B7R0.5 CC(=O)N(C)CCF 4c9e9e2bb017d5fcf5d5113705af3b65 [1,1,0,0,0,0|1,0,1]=4 536 B7R0.5 CC(=O)N(C)CCO ba457e3be79fea19f791558c60ef2a77 [1,1,0,0,0,0|0,0,1]=3 537 B7R0.5 CC(C)N(C)CC=O dce9ec45ecad4267effdc3296bdfc642 [1,1,0,0,0,0|1,0,1]=4 538 B7R0.5 CC(NC#N)C(=O)O 392de9697c4a5dcddc67adbe8abaabb3 [1,1,0,0,0,0|1,0,1]=4 539 B7R0.5 CC(NC=O)C(=O)N 46e3df0da90011f803541e030709e2d3 [1,1,0,0,0,0|1,0,0]=3 540 B7R0.5 CC(NCF)C(=O)O 678d57d218e04263cf06f7d55d31cd1d [1,1,0,0,0,0|1,0,1]=4 541 B7R0.5 CC(NCO)C(=O)O fe4a7856b889669392c300fb3cd4873c [1,1,0,0,0,0|0,0,2]=4 542 B7R0.5 CC(O)C(C)NC=O 260810e8bba0286df97574f1b44d4d22 [1,1,0,0,0,0|1,0,1]=4 543 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [1,1,0,0,0,0|1,0,1]=4 544 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [1,1,0,0,0,0|1,0,1]=4 545 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [1,1,0,0,0,0|0,0,1]=3 546 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [1,1,0,0,0,0|0,0,1]=3 547 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [1,1,0,0,0,0|1,0,1]=4 548 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [1,1,0,0,0,0|0,0,1]=3 549 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [1,1,0,0,0,0|1,0,1]=4 550 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [1,1,0,0,0,0|0,0,1]=3 551 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [1,1,0,0,0,0|1,0,1]=4 552 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [1,1,0,0,0,0|1,0,1]=4 553 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [1,1,0,0,0,0|1,0,1]=4 554 B7R0.5 C[C@@H](NC#N)C(=O)O e0e1898c2dc69a65dfbe178be463caf4 [1,1,0,0,0,0|1,0,1]=4 555 B7R0.5 C[C@@H](NC=O)C(=O)N b3f27251f3a1b388bbd3114e372f5d22 [1,1,0,0,0,0|1,0,0]=3 556 B7R0.5 C[C@@H](NCF)C(=O)O 17fa37c81497338871dce635035053b9 [1,1,0,0,0,0|1,0,1]=4 557 B7R0.5 C[C@@H](NCO)C(=O)O a97b9962f90d67259e383605fc714644 [1,1,0,0,0,0|0,0,2]=4 558 B7R0.5 C[C@H](NC#N)C(=O)O 001f1128fc667ba9af909598a06ab98b [1,1,0,0,0,0|1,0,1]=4 559 B7R0.5 C[C@H](NC=O)C(=O)N 16bf5f670688c6b3e99af2484506540e [1,1,0,0,0,0|1,0,0]=3 560 B7R0.5 C[C@H](NCF)C(=O)O 8f95fb8302879a9840726de50eb63034 [1,1,0,0,0,0|1,0,1]=4 561 B7R0.5 C[C@H](NCO)C(=O)O 22dff04db3c7b130eddc4a545a3e505d [1,1,0,0,0,0|0,0,2]=4 562 B7R0.5 O=C(O)C(O)NCF debbdbf9e1d3d8838357ca1b62835c9a [1,1,0,0,0,0|1,0,1]=4 563 B7R0.5 O=C(O)C(O)NCO 6aca03582d286fba98508921a1d70ae3 [1,1,0,0,0,0|0,0,2]=4 564 B7R0.8 CC(C)(C)NCC=O 84f91e0185bc7a8cbf173006cc00a31e [1,1,0,0,0,0|1,0,1]=4 565 B7R0.8 CC(C)(O)CNC=O 342a9b6d29541cfeadb382656f3815a5 [1,1,0,0,0,0|1,0,1]=4 566 B7R0.8 CCNCS(=O)(=O)O bbcfc5d6d557b34dea0908a35a8ee7e3 [1,1,0,0,0,0|1,0,1]=4 567 B7R0.8 O=CNCS(=O)(=O)O 282545849491a9f0f5479a944f45ae7c [1,1,0,0,0,0|1,0,0]=3 568 B9R0.1 C#CC(=O)NCCC(=O)N d96f277790e4a8be7394410c291ac567 [0,1,0,0,0,1|1,0,1]=4 569 B9R0.1 C#CC(=O)NCCS(=O)O 6dfb35a371d0b5d06df7f469aea88be5 [0,1,0,0,0,1|1,0,1]=4 570 B9R0.1 C#CC(C)NCCC(=O)O b5fa8c47938cc1ab8b71133a233a8712 [0,1,0,0,0,1|1,0,1]=4 571 B9R0.1 C#C[C@@H](C)NCCC(=O)O 2c3e5d536ee20bb10e4a276f986c03f0 [0,1,0,0,0,1|1,0,1]=4 572 B9R0.1 C#C[C@H](C)NCCC(=O)O cc5bdbda6a0b246c6e6e23c2baac79c5 [0,1,0,0,0,1|1,0,1]=4 573 B9R0.1 C/C(=C\I)/COCC(=O)O f0d281ce2da52f078eed6df8efd49932 [0,1,0,0,0,1|2,0,0]=4 574 B9R0.1 C=C(Br)CNCC(=O)CC 150256356a16136a8096145cb197c058 [0,1,0,0,0,1|2,0,0]=4 575 B9R0.1 C=C(Br)CNCC(=O)CO 44f358271832378dfd42cc7de164809d [0,1,0,0,0,1|1,0,1]=4 576 B9R0.1 C=C(Br)CNCC(=O)NC 08e84835731645d21f721fcbead38841 [0,1,0,0,0,1|2,0,0]=4 577 B9R0.1 C=C(Br)CNCC(=O)NO 9688a4c213e3fd6a528cce3d6f79da30 [0,1,0,0,0,1|1,0,1]=4 578 B9R0.1 C=C(Br)CNCC(=O)OC fdab228507d1733658566d2550ee5bcc [0,1,0,0,0,1|1,0,1]=4 579 B9R0.1 C=C(C#N)CNCC(=O)C 1b8316744162f22df415cb76ab0faa26 [0,1,0,0,0,1|2,0,0]=4 580 B9R0.1 C=C(C#N)CNCC(=O)O 672bb05c1e20a547ddf6fbe9e3f72e96 [0,1,0,0,0,1|1,0,1]=4 581 B9R0.1 C=C(C)CCNC(=O)CC c0849ae324a4527830c5955e89b51c09 [0,1,0,0,0,1|2,0,0]=4 582 B9R0.1 C=C(C)CCNC(=O)CF 97ec382c270aeae27367dc39d9406fa8 [0,1,0,0,0,1|2,0,0]=4 583 B9R0.1 C=C(C)CCNC(=O)CO 34d93ab5ed36ace089117a109aed2076 [0,1,0,0,0,1|2,0,0]=4 584 B9R0.1 C=C(C)CCNC(=O)CS 6ebbb9e0c66818fbcefaad3cd4c54622 [0,1,0,0,0,1|2,0,0]=4 585 B9R0.1 C=C(C)CNCC(=C)CO 86f1fd371619625bbc8b27042644a9e5 [0,1,0,0,0,1|2,0,0]=4 586 B9R0.1 C=C(C)CNCC(=C)OC 28e608cc8dfe414d8c58c2c36c2ac099 [0,1,0,0,0,1|2,0,0]=4 587 B9R0.1 C=C(C)CNCC(=O)CC cd454918bf8eb86d4e5c362f8a3004ea [0,1,0,0,0,1|2,0,0]=4 588 B9R0.1 C=C(C)CNCC(=O)CO 247e9010bc9651cac50f307b86ba439e [0,1,0,0,0,1|1,0,0]=3 589 B9R0.1 C=C(C)CNCC(=O)NC fbde083ce8d8a2cff785f4d8c062baa1 [0,1,0,0,0,1|2,0,0]=4 590 B9R0.1 C=C(C)CNCC(=O)NO 6715f0dd461108561c9ed13517cd8037 [0,1,0,0,0,1|1,0,0]=3 591 B9R0.1 C=C(C)CNCC(=O)OC c333e980167d9fefdd828559eb49e425 [0,1,0,0,0,1|1,0,0]=3 592 B9R0.1 C=C(C)COCC(=O)OC ef2f938506a463bb6101f9cac476c9e5 [0,1,0,0,0,1|2,0,0]=4 593 B9R0.1 C=C(C=O)OCCC(=O)C 97a9b3feed550bdad7937f32f13706da [0,1,0,0,0,1|2,0,0]=4 594 B9R0.1 C=C(C=O)OCCC(=O)O 35d50609715764246002b9771a442b1d [0,1,0,0,0,1|1,0,1]=4 595 B9R0.1 C=C(C=O)OCOC(=O)C 67e8655917f2709f8403cee780d51fab [0,1,0,0,0,1|2,0,0]=4 596 B9R0.1 C=C(CC)CNCC(=O)C 205628c3f1d4d54a613a330b5d6c2214 [0,1,0,0,0,1|2,0,0]=4 597 B9R0.1 C=C(CC)CNCC(=O)N 94b4243675063b97fbaab08b2e05f843 [0,1,0,0,0,1|2,0,0]=4 598 B9R0.1 C=C(CC)CNCC(=O)O 3494cd583a0b63f9a90da7dbe9a93496 [0,1,0,0,0,1|1,0,0]=3 599 B9R0.1 C=C(CC)COCC(=O)O ee3b330f9d46b7ad6bddc2068ae1158b [0,1,0,0,0,1|2,0,0]=4 600 B9R0.1 C=C(CNCC(=O)C)OC b39ddd803e0868ca46809ac47789f196 [0,1,0,0,0,1|1,0,0]=3 601 B9R0.1 C=C(CNCC(=O)N)OC 5a61a7a2ffe7bedfa8684850229cedea [0,1,0,0,0,1|2,0,0]=4 602 B9R0.1 C=C(CNCC(=O)O)OC f4fd4a44109d7013bab3a36a299e88b2 [0,1,0,0,0,1|1,0,0]=3 603 B9R0.1 C=C(CO)CNCC(=O)C 6aaf3e64ab544f2cffc718c8c4bca482 [0,1,0,0,0,1|1,0,0]=3 604 B9R0.1 C=C(CO)CNCC(=O)N 69567cfbcf627928512e44ec5770bc34 [0,1,0,0,0,1|2,0,0]=4 605 B9R0.1 C=C(CO)CNCC(=O)O cc7acc22e8e7c17a96eec1e4e62087c5 [0,1,0,0,0,1|1,0,0]=3 606 B9R0.1 C=C(COCC(=O)C)OC 09928f8b08416c32c791a53bc763a5ea [0,1,0,0,0,1|2,0,0]=4 607 B9R0.1 C=C(COCC(=O)O)OC f9327aabdff60543e9573117092b2bbe [0,1,0,0,0,1|2,0,0]=4 608 B9R0.1 C=C(Cl)CNCC(=O)NC 152861beea6b818cf9df03f3d1919f03 [0,1,0,0,0,1|2,0,0]=4 609 B9R0.1 C=C(Cl)CNCC(=O)NO d27e8a0facab3d8ce85ad067a430b658 [0,1,0,0,0,1|1,0,1]=4 610 B9R0.1 C=C(Cl)CNCC(=O)OC 560a2c6b60f462dc680bd8d00682c5d0 [0,1,0,0,0,1|1,0,1]=4 611 B9R0.1 C=C(F)CNCC(=O)NC 7f2e166b390566bb676030ff490a42c7 [0,1,0,0,0,1|2,0,0]=4 612 B9R0.1 C=C(F)CNCC(=O)NO 4ddacb4dea8aaa73368d3750b46ece15 [0,1,0,0,0,1|1,0,1]=4 613 B9R0.1 C=C(F)CNCC(=O)OC 38b03005d15104b0ac50fda176f68a28 [0,1,0,0,0,1|1,0,1]=4 614 B9R0.1 C=CC(=O)NCCC(=O)N 83c75b2183749a44cf27f2d528697bd5 [0,1,0,0,0,1|1,0,1]=4 615 B9R0.1 C=CC(=O)NCCS(=O)O bb70d292fff0aace27797bcb916fcbe0 [0,1,0,0,0,1|1,0,1]=4 616 B9R0.1 C=CC(C)NCCC(=O)O 79ff7d3cdb6746c9598fe1cfb61269b1 [0,1,0,0,0,1|1,0,1]=4 617 B9R0.1 CC(=CCNC(=O)CF)C d0bc0829b1f989a69241141af627b343 [0,1,0,0,0,1|2,0,0]=4 618 B9R0.1 CC(=CCNC(=O)CO)C 99de69a27f56e0717a5c36bd796a7f00 [0,1,0,0,0,1|2,0,0]=4 619 B9R0.1 CC(=CCNC(=O)CS)C e1823bc2d00a9ddbd61d584a80961b52 [0,1,0,0,0,1|2,0,0]=4 620 B9R0.1 CC(=CI)COCC(=O)O d7f29fd9312a0373f092e69ba8eaa817 [0,1,0,0,0,1|2,0,0]=4 621 B9R0.1 CC(=O)CNC/C(=C/Cl)/Cl c4877580805f9b1df810b73df6e61eb7 [0,1,0,0,0,1|2,0,0]=4 622 B9R0.1 CC(=O)CNCC(=O)CO a884728253f1dbd88805a142b0c876b6 [0,1,0,0,0,1|0,0,0]=2 623 B9R0.1 CC(=O)CNCC(C)CO 687573d47da7078f008452b6941cfbb6 [0,1,0,0,0,1|1,0,1]=4 624 B9R0.1 CC(=O)CNCC(O)CF dae4f209c6741610d562bfbe54fd9b4b [0,1,0,0,0,1|1,0,1]=4 625 B9R0.1 CC(=O)CNCC(O)CO 7df10622569579ec4e37135d617c20f8 [0,1,0,0,0,1|0,0,2]=4 626 B9R0.1 CC(=O)CNC[C@@H](C)CO 83d4361a5af389dd1a51e847e0c228db [0,1,0,0,0,1|1,0,1]=4 627 B9R0.1 CC(=O)CNC[C@@H](O)CO f38bd77162dcfb4e06fb2eb4600c9073 [0,1,0,0,0,1|0,0,2]=4 628 B9R0.1 CC(=O)CNC[C@H](C)CO 0c7d13a9c50e9968d7e5477a482d94c3 [0,1,0,0,0,1|1,0,1]=4 629 B9R0.1 CC(=O)CNC[C@H](O)CO 5a00c829e2ca3328b3583f6a763316af [0,1,0,0,0,1|0,0,2]=4 630 B9R0.1 CC(=O)NCCC(=O)NO 7869db29b1010d2c8be4de04860ee1c2 [0,1,0,0,0,1|0,0,0]=2 631 B9R0.1 CC(=O)NCCC(C)CO bebfc27f0403b0ff17a662d28cff0e43 [0,1,0,0,0,1|1,0,1]=4 632 B9R0.1 CC(=O)NCCC(O)CO 6dba80410c8d6e60b084a12c9a16e519 [0,1,0,0,0,1|0,0,2]=4 633 B9R0.1 CC(=O)NCC[C@@H](C)CO caf7a94637e8711be8cab6e4c356b0b6 [0,1,0,0,0,1|1,0,1]=4 634 B9R0.1 CC(=O)NCOC(C)C=O 75e9242d70e19121f7e9ffb1590863f4 [0,1,0,0,0,1|1,0,1]=4 635 B9R0.1 CC(=O)NCO[C@H](C)C=O 4c274d543100dcd740277d98c68b4856 [0,1,0,0,0,1|1,0,1]=4 636 B9R0.1 CC(C#N)CNCC(=O)O 690b9c42e94c9bde7fbf2cdbf8d4eca2 [0,1,0,0,0,1|1,0,1]=4 637 B9R0.1 CC(C#N)NCCC(=O)O a71e77ce50f1b855f7d576c5d6f6289e [0,1,0,0,0,1|1,0,1]=4 638 B9R0.1 CC(C)CNCC(=O)CO ee418b1e31d09b89331f9ca774457c43 [0,1,0,0,0,1|1,0,1]=4 639 B9R0.1 CC(C)CNCC(=O)NO 135c365afbac52555b37c8c2533721ab [0,1,0,0,0,1|1,0,1]=4 640 B9R0.1 CC(C)NCCC(=O)NO 82d2f393212433db94ed45a332a78d9e [0,1,0,0,0,1|1,0,1]=4 641 B9R0.1 CC(C=O)NCCC(=O)N 0a497b65732dd54e85210165ecae12a6 [0,1,0,0,0,1|1,0,1]=4 642 B9R0.1 CC(C=O)NCCC(=O)O c047f24fc3d15f3badbf76260054cc9f [0,1,0,0,0,1|0,0,1]=3 643 B9R0.1 CC(C=O)NCCS(=O)O 6315fcac9ac91eb3ba34381bd1615fc2 [0,1,0,0,0,1|1,0,1]=4 644 B9R0.1 CC(C=O)OCCC(=O)O 056bb2d7d93cc893e2815e75c928f63b [0,1,0,0,0,1|1,0,1]=4 645 B9R0.1 CC(CO)CNCC(=O)O 545002bd59f1a831ceb97793e95beb08 [0,1,0,0,0,1|0,0,2]=4 646 B9R0.1 CC(CO)NCCC(=O)O 7af196631507732ccee08e53dff47c19 [0,1,0,0,0,1|0,0,2]=4 647 B9R0.1 CC(O)CCNC(=O)CF 7c4df54bb4c03e0cfed039993eb83c4a [0,1,0,0,0,1|1,0,1]=4 648 B9R0.1 CC(O)CCNC(=O)CO bea318e52af2faf0abfc14754050cafc [0,1,0,0,0,1|1,0,1]=4 649 B9R0.1 CC(O)CCNC(=O)CS c0d269a5f96db7c36bd65f277c5f2e77 [0,1,0,0,0,1|1,0,1]=4 650 B9R0.1 CC(O)CNCC(=O)CO 6b4b0f5a2695c38dccc74856e24bd074 [0,1,0,0,0,1|0,0,2]=4 651 B9R0.1 CC(O)CNCC(=O)NO 6e73041981f85b6af4f7ae6484b1fe5b [0,1,0,0,0,1|0,0,2]=4 652 B9R0.1 CCC(=O)CNCC(=O)C 938d73b249bc6dd4594641d324714cb6 [0,1,0,0,0,1|1,0,0]=3 653 B9R0.1 CCC(=O)CNCC(=O)N b1f11e2d5f5ee8c4d027ab9d5809c520 [0,1,0,0,0,1|1,0,0]=3 654 B9R0.1 CCC(=O)CNCC(=O)O 7018cc82507b5cf3388be4a1b0a3b91b [0,1,0,0,0,1|0,0,0]=2 655 B9R0.1 CCC(=O)CNCC(C)O a20b1e849513a8941047bd9c440c4344 [0,1,0,0,0,1|1,0,1]=4 656 B9R0.1 CCC(=O)CNC[C@@H](C)O 2e3fedb1efa9f0f66bc486911a9f8e3a [0,1,0,0,0,1|1,0,1]=4 657 B9R0.1 CCC(=O)CNC[C@H](C)O 61f52c4a5ade0238ce10614525e75211 [0,1,0,0,0,1|1,0,1]=4 658 B9R0.1 CCC(=O)COCC(=O)C c66cb35c51394e114e947994917edf5c [0,1,0,0,0,1|2,0,0]=4 659 B9R0.1 CCC(=O)COCC(=O)N 4d32515e208c3a78476e0dfcc1e32b89 [0,1,0,0,0,1|2,0,0]=4 660 B9R0.1 CCC(=O)COCC(=O)O 1a72a234de91ee3fa394daead68a119d [0,1,0,0,0,1|1,0,0]=3 661 B9R0.1 CCC(=O)COCS(=O)O 98632b158ffaf2399404c1c73005ee05 [0,1,0,0,0,1|2,0,0]=4 662 B9R0.1 CCC(=O)NCC=C(C)C c2665bdc8bcdfc26f7fdadaaa40a72a8 [0,1,0,0,0,1|2,0,0]=4 663 B9R0.1 CCC(=O)NCCC(=O)N 17f638fb9136d22630942c7277f78330 [0,1,0,0,0,1|1,0,0]=3 664 B9R0.1 CCC(=O)NCCC(=S)N f02d123a248901075645d1862f20968f [0,1,0,0,0,1|1,1,0]=4 665 B9R0.1 CCC(=O)NCCC(C)O 2aec2e6bb9fbc54ce13f19b2630a008a [0,1,0,0,0,1|1,0,1]=4 666 B9R0.1 CCC(=O)NCCS(=O)C 0a43abd0c9593f06f1b54bc82efd02c1 [0,1,0,0,0,1|2,0,0]=4 667 B9R0.1 CCC(=O)NCCS(=O)O 47bf6ac1d2cd1854145b39436f351711 [0,1,0,0,0,1|1,0,0]=3 668 B9R0.1 CCC(=O)NCC[C@@H](C)O dc1da85b4b434a8327a030b4b9c29cc5 [0,1,0,0,0,1|1,0,1]=4 669 B9R0.1 CCC(=O)NCC[C@H](C)O e060f68859aae796ceb23995e0446069 [0,1,0,0,0,1|1,0,1]=4 670 B9R0.1 CCC(C)CNCC(=O)O 87c69323a9e1a04a6ee6d76377703b82 [0,1,0,0,0,1|1,0,1]=4 671 B9R0.1 CCC(C)NCCC(=O)O a58859ee191bb6759b209bcd54bebe4e [0,1,0,0,0,1|1,0,1]=4 672 B9R0.1 CCC(O)CNCC(=O)C ede59564767224e151ba36bea1af43f8 [0,1,0,0,0,1|1,0,1]=4 673 B9R0.1 CCC(O)CNCC(=O)O 03d5356d375bf79d740c17da46436b7f [0,1,0,0,0,1|0,0,2]=4 674 B9R0.1 CC[C@@H](C)CNCC(=O)O 98f2dd2d2950413d052b4cb7e53dbe2b [0,1,0,0,0,1|1,0,1]=4 675 B9R0.1 CC[C@@H](C)NCCC(=O)O 1e341985822ae038516e7d3d57e3d5f1 [0,1,0,0,0,1|1,0,1]=4 676 B9R0.1 CC[C@@H](O)CNCC(=O)O 03733baf1864df61afe14ccbe323ed3e [0,1,0,0,0,1|0,0,2]=4 677 B9R0.1 CC[C@H](C)CNCC(=O)O 3004fae72bd867afedf99bbbfea959f0 [0,1,0,0,0,1|1,0,1]=4 678 B9R0.1 CC[C@H](C)NCCC(=O)O 9ce7a4b5931e874b441152425137209a [0,1,0,0,0,1|1,0,1]=4 679 B9R0.1 CN(C)CNCC(=O)NO a3ade7df16dbcd771b06a73f3e12e552 [0,1,0,0,0,1|2,0,0]=4 680 B9R0.1 CNC(=O)CCNC(=O)C f3a3033dad8e1aab7fc770fc0743d310 [0,1,0,0,0,1|1,0,0]=3 681 B9R0.1 CNC(=O)CNCC(=O)C 9553722055197c716954dc86f447aeb4 [0,1,0,0,0,1|1,0,0]=3 682 B9R0.1 CNC(=O)CNCC(=O)N dc243ee2dcc2b9e9a11a36792c87d23d [0,1,0,0,0,1|1,0,0]=3 683 B9R0.1 CNC(=O)CNCC(=O)O 85a5f672fadbc6f9ef6de9a2a956af16 [0,1,0,0,0,1|0,0,0]=2 684 B9R0.1 CNC(=O)CNCC(C)O a28ef65677ab53cd6c02da4523df1161 [0,1,0,0,0,1|1,0,1]=4 685 B9R0.1 CNC(=O)CNC[C@@H](C)O efcf8ffc667f53fed279c5d7a3af9870 [0,1,0,0,0,1|1,0,1]=4 686 B9R0.1 CNC(=O)CNC[C@H](C)O 0c060a0a690e256b06eead82b2ad4d1e [0,1,0,0,0,1|1,0,1]=4 687 B9R0.1 CNC(=O)CNC[N+](=O)[O-] 1eeb1a5c9af5cc76f12fbb7cf33b2b9d [0,1,0,0,0,1|1,0,1]=4 688 B9R0.1 CNC(=O)COCC(=O)C ff89b93418e37b61debdb32dce14d587 [0,1,0,0,0,1|2,0,0]=4 689 B9R0.1 CNC(=O)COCC(=O)N dc209203f036a43d165bfc4ce57d5629 [0,1,0,0,0,1|2,0,0]=4 690 B9R0.1 CNC(=O)COCC(=O)O 006fa27b5ff6a2a3b9b7bdadb3a8cf78 [0,1,0,0,0,1|1,0,0]=3 691 B9R0.1 CNC(=O)COCS(=O)O cfdcda0dcc3032ef712a643f4ba532be [0,1,0,0,0,1|2,0,0]=4 692 B9R0.1 COC(=O)CCNC(=O)C e469e5b7d171861926dc52d0d008b43a [0,1,0,0,0,1|0,0,0]=2 693 B9R0.1 COC(=O)CCNC(C)C cca84c56a4f78d735d44ac567d8c7043 [0,1,0,0,0,1|1,0,1]=4 694 B9R0.1 COC(=O)CNCC(=O)C 2ffbe56641f2b1b2f85d79518ab23ece [0,1,0,0,0,1|0,0,0]=2 695 B9R0.1 COC(=O)CNCC(=O)N 9163aa512c5802909ed25b2031da4389 [0,1,0,0,0,1|1,0,0]=3 696 B9R0.1 COC(=O)CNCC(=O)O d413351b1bd64263dc30d4f78e9bad17 [0,1,0,0,0,1|0,0,0]=2 697 B9R0.1 COC(=O)CNCC(C)C f4529cfb679f9748b0c64270201236cc [0,1,0,0,0,1|1,0,1]=4 698 B9R0.1 COC(=O)CNCC(C)O 59a9a5fa9940991101df2294ecedabe2 [0,1,0,0,0,1|0,0,2]=4 699 B9R0.1 COC(=O)CNCN(C)C 0a2496fcd2e1da81aae705ca0c36b384 [0,1,0,0,0,1|2,0,0]=4 700 B9R0.1 COC(=O)CNC[C@@H](C)O c0520f27f33031c361272483aa523927 [0,1,0,0,0,1|0,0,2]=4 701 B9R0.1 COC(=O)CNC[C@H](C)O 0c585f1f65c56fea600dec50df736a15 [0,1,0,0,0,1|0,0,2]=4 702 B9R0.1 COC(=O)CNC[N+](=O)[O-] 3550e6deda1b83c4a6f2e5056eddfcc5 [0,1,0,0,0,1|1,0,1]=4 703 B9R0.1 COC(=O)COCC(=O)C c6badf6770087930f6d233ff5221dfc5 [0,1,0,0,0,1|1,0,0]=3 704 B9R0.1 COC(=O)COCC(=O)N 2e55244adc2571962e17fc15e71f3607 [0,1,0,0,0,1|2,0,0]=4 705 B9R0.1 COC(=O)COCC(=O)O ffa9d3a5a545c2957a369e509906e94d [0,1,0,0,0,1|1,0,0]=3 706 B9R0.1 COC(=O)COCS(=O)O 312ba3021bfe796259121a8421f51d8c [0,1,0,0,0,1|2,0,0]=4 707 B9R0.1 COC(C)CNCC(=O)C a496551dd3631b02d91d02c1cf1f9a01 [0,1,0,0,0,1|1,0,1]=4 708 B9R0.1 COC(C)CNCC(=O)O dbf8e5faee7152132e5d4bb3bd4e4843 [0,1,0,0,0,1|0,0,2]=4 709 B9R0.1 CO[C@@H](C)CNCC(=O)C 7198624c11de30df71b09e1e81cad62d [0,1,0,0,0,1|1,0,1]=4 710 B9R0.1 CO[C@@H](C)CNCC(=O)O 65dd78747dc8a0d82266cff86cc9f8ee [0,1,0,0,0,1|0,0,2]=4 711 B9R0.1 CO[C@H](C)CNCC(=O)C 8d7b3f7b6bbe18398470ba66d5033f7d [0,1,0,0,0,1|1,0,1]=4 712 B9R0.1 CO[C@H](C)CNCC(=O)O 84e5827c180a6cfe438de358774cfb15 [0,1,0,0,0,1|0,0,2]=4 713 B9R0.1 CS(=O)CCNC(=O)CF ab539bc38ae8a9c9be7e6d441be10562 [0,1,0,0,0,1|2,0,0]=4 714 B9R0.1 CS(=O)CCNC(=O)CO c0a16e6dcacf7f42146bfd165cf68c28 [0,1,0,0,0,1|2,0,0]=4 715 B9R0.1 CS(=O)CCNC(=O)CS 0e1f806875fbfc22bf342571e65a438f [0,1,0,0,0,1|2,0,0]=4 716 B9R0.1 C[C@@H](CO)CNCC(=O)O f57e9d31ced751b25fdd665565e647c4 [0,1,0,0,0,1|0,0,2]=4 717 B9R0.1 C[C@@H](CO)NCCC(=O)O b5ac644d36a232bdd1950d74e0718263 [0,1,0,0,0,1|0,0,2]=4 718 B9R0.1 C[C@@H](O)CCNC(=O)CF 9cc194dd6bae57ed21d1c6a3807cb763 [0,1,0,0,0,1|1,0,1]=4 719 B9R0.1 C[C@@H](O)CCNC(=O)CO 0f403648615901397e48f6d9f0579495 [0,1,0,0,0,1|1,0,1]=4 720 B9R0.1 C[C@@H](O)CCNC(=O)CS 5041dae96f818c0eb7fcd213a28aa8a7 [0,1,0,0,0,1|1,0,1]=4 721 B9R0.1 C[C@@H](O)CNCC(=O)CO c4b1bfbab60225c4c1c90acf845e538d [0,1,0,0,0,1|0,0,2]=4 722 B9R0.1 C[C@@H](O)CNCC(=O)NO 46b237d24ec9cc50d6b1a995633af109 [0,1,0,0,0,1|0,0,2]=4 723 B9R0.1 C[C@H](C=O)NCCC(=O)N 57a3c92d9100fb4c15bb11d07cab3b3b [0,1,0,0,0,1|1,0,1]=4 724 B9R0.1 C[C@H](C=O)NCCC(=O)O 568b307ebcb4ab5b4df113dd91c9a6dc [0,1,0,0,0,1|0,0,1]=3 725 B9R0.1 C[C@H](C=O)NCCS(=O)O 16c57c2a89c360c6e6357bad716217cd [0,1,0,0,0,1|1,0,1]=4 726 B9R0.1 C[C@H](C=O)OCCC(=O)O 6123759046df411af3794a1ca6644131 [0,1,0,0,0,1|1,0,1]=4 727 B9R0.1 C[C@H](CO)CNCC(=O)O ce3fe074090d41b3d881458baf420cde [0,1,0,0,0,1|0,0,2]=4 728 B9R0.1 C[C@H](CO)NCCC(=O)O a31ff9e016b023eff4f0af52b348f8ec [0,1,0,0,0,1|0,0,2]=4 729 B9R0.1 C[C@H](O)CCNC(=O)CF dccbd1b5eb2b603c877a00069e3b10a6 [0,1,0,0,0,1|1,0,1]=4 730 B9R0.1 C[C@H](O)CCNC(=O)CO c73ce75cfe06fe5a627e4cd5009891c1 [0,1,0,0,0,1|1,0,1]=4 731 B9R0.1 C[C@H](O)CCNC(=O)CS c3c8ad3bd970fc3ad723d2f4eede6a9b [0,1,0,0,0,1|1,0,1]=4 732 B9R0.1 C[C@H](O)CNCC(=O)CO fdb7bd0552475296e5cbc57855b89671 [0,1,0,0,0,1|0,0,2]=4 733 B9R0.1 C[C@H](O)CNCC(=O)NO c352129f10875414666752fe0d29f814 [0,1,0,0,0,1|0,0,2]=4 734 B9R0.1 NC(=O)CCNC(=O)C=O 80872e569e858b24db710345dc4b6591 [0,1,0,0,0,1|1,0,1]=4 735 B9R0.1 NC(=O)CCNC(=O)CF 5ba9803b3f58c21cd9f08d27be2ab1ba [0,1,0,0,0,1|1,0,0]=3 736 B9R0.1 NC(=O)CCNC(=O)CO 5172be9062702a142cc19e2483b96198 [0,1,0,0,0,1|1,0,0]=3 737 B9R0.1 NC(=O)CCNC(=O)CS 2fe1d732c0537625a14477e9fbdf6ffa [0,1,0,0,0,1|1,0,0]=3 738 B9R0.1 NC(=O)CNCC(=O)CO 4ff4e9de75d3f61e3304abcc2e0ca09a [0,1,0,0,0,1|1,0,0]=3 739 B9R0.1 NC(=O)CNCC(=O)NO 30fa687bd499f8f43cc23c558088adf6 [0,1,0,0,0,1|1,0,0]=3 740 B9R0.1 NC(=S)CCNC(=O)CF 4cf730a458f4ac7346cc54af285d82b1 [0,1,0,0,0,1|1,1,0]=4 741 B9R0.1 NC(=S)CCNC(=O)CO 8b0e8facecba44a6a929982fe7df6816 [0,1,0,0,0,1|1,1,0]=4 742 B9R0.1 NC(=S)CCNC(=O)CS 2f6702ddf347233eb38ffe1d41cfb3a9 [0,1,0,0,0,1|1,1,0]=4 743 B9R0.1 O=C(CF)NCCS(=O)O f6ca8e03e2da3150852cfa5cc8f03146 [0,1,0,0,0,1|1,0,0]=3 744 B9R0.1 O=C(CNC[N+](=O)[O-])NO 4e0719129e3ce304b49e98dc345d74f4 [0,1,0,0,0,1|2,0,0]=4 745 B9R0.1 O=C(CO)NCCS(=O)O 76d39b86c6bcc56fa85783a1b981cfd5 [0,1,0,0,0,1|1,0,0]=3 746 B9R0.1 O=C(CS)NCCS(=O)O b835c310d0b5190a6c17d4d14c9b78d2 [0,1,0,0,0,1|1,0,0]=3 747 B9R0.1 O=C(O)CNC/C(=C/Cl)/Cl 2351f3c7e5b766eef8a4406262d2cb31 [0,1,0,0,0,1|1,0,1]=4 748 B9R0.1 O=C(O)CNCC(=O)CO 67ffc001715ccd674ca2190fd74d727d [0,1,0,0,0,1|0,0,0]=2 749 B9R0.1 O=C(O)CNCC(=O)NO f079cb1525909f20017391ae2500bf2e [0,1,0,0,0,1|1,0,0]=3 750 B9R0.1 O=C(O)CNCC(Br)CBr ef99ec62c4dafd35d1f7c73687c4dec8 [0,1,0,0,0,1|1,0,1]=4 751 B9R0.1 O=C(O)CNCC(F)CO 85480065cb6f22ce4951c43a5529025b [0,1,0,0,0,1|1,0,1]=4 752 B9R0.1 O=C(O)CNCC(O)CF 7fd10536ea2bd1a0c281f0149c46efaf [0,1,0,0,0,1|0,0,2]=4 753 B9R0.1 O=C(O)CNCC(O)CO 5f4a685d53a0215015208fab45cb0871 [0,1,0,0,0,1|0,0,2]=4 754 B9R0.1 O=C(O)CNC[C@@H](F)CO b256d92caab1484241eb0944f0d426c8 [0,1,0,0,0,1|1,0,1]=4 755 B9R0.1 O=C(O)CNC[C@@H](O)CO 2e94e974e33de52da795c25edb2b7b46 [0,1,0,0,0,1|0,0,2]=4 756 B9R0.1 O=C(O)CNC[C@H](F)CO 88b9d73cd1b06b779c0e456bbf2e093b [0,1,0,0,0,1|1,0,1]=4 757 B9R0.1 O=C(O)CNC[C@H](O)CO 54e6a925352e55eb05de7ec2030c642a [0,1,0,0,0,1|0,0,2]=4 758 B9R0.1 O=CC(=O)NCCS(=O)O 0ec279c35f878409a65eb31c058b5a70 [0,1,0,0,0,1|1,0,1]=4 759 B9R0.7 C=C(Br)CNC(=O)C(=O)C a8d9ea1875a38057379a240b48382abd [0,1,0,0,0,1|2,0,0]=4 760 B9R0.7 C=C(Br)CNC(C)C(=O)C e5b6faacca6cac74c8a0f65a4073b45e [0,1,0,0,0,1|2,0,0]=4 761 B9R0.7 C=C(Br)CNC(C)C(=O)O 4b4b833b0923408e022a05775b239322 [0,1,0,0,0,1|1,0,1]=4 762 B9R0.7 C=C(Br)CNC(O)C(=O)O 2b46230f8f2eb6f3ae5bb80abde56ea4 [0,1,0,0,0,1|1,0,1]=4 763 B9R0.7 C=C(Br)CN[C@@H](C)C(=O)O c90358467ea0b56e6c191c6df9f74b1f [0,1,0,0,0,1|1,0,1]=4 764 B9R0.7 C=C(Br)CN[C@H](C)C(=O)O d8adcc4e0215fdbc5391473a8aa71ebc [0,1,0,0,0,1|1,0,1]=4 765 B9R0.7 C=C(C)C(=O)NCC(=O)C 8dd3fae3fe2a44083754a0af37142576 [0,1,0,0,0,1|2,0,0]=4 766 B9R0.7 C=C(C)C(=O)NCC(=O)N 0a9ff7dbbe0ca12c1bdaad4fc6557bce [0,1,0,0,0,1|2,0,0]=4 767 B9R0.7 C=C(C)CNC(=O)C(=O)C d8a1cea601efd30470d9f7f5b4ee577c [0,1,0,0,0,1|2,0,0]=4 768 B9R0.7 C=C(C)CNC(C)C(=O)C ba902c8c453edf6ed16b9e43d5cc3444 [0,1,0,0,0,1|2,0,0]=4 769 B9R0.7 C=C(C)CNC(C)C(=O)N 0ee70db62d5cb05efb86b225e6750084 [0,1,0,0,0,1|2,0,0]=4 770 B9R0.7 C=C(C)CNC(C)C(=O)O 71c7739e8b991e4abf0435840a700d0a [0,1,0,0,0,1|1,0,0]=3 771 B9R0.7 C=C(C)CNC(F)C(=O)N 1d5edccf5de6b2423ccad2b386ece719 [0,1,0,0,0,1|2,0,0]=4 772 B9R0.7 C=C(C)CNC(O)C(=O)O 94b0a208e5c50adf06a4627f23c6b8af [0,1,0,0,0,1|1,0,0]=3 773 B9R0.7 C=C(C)CN[C@@H](C)C(=O)N 82de9d76949c88e9733dd040e2b1231c [0,1,0,0,0,1|2,0,0]=4 774 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O e7bfbf33da3040405841b806d36ec309 [0,1,0,0,0,1|1,0,0]=3 775 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 844c5f37e1a94a8b35172521f47a8a23 [0,1,0,0,0,1|2,0,0]=4 776 B9R0.7 C=C(C)CN[C@H](C)C(=O)O cd53bb67574651329e24959a91da937e [0,1,0,0,0,1|1,0,0]=3 777 B9R0.7 C=C(C)COC(C)C(=O)O ed04993e273c116d7e5f18b49ab43ad1 [0,1,0,0,0,1|2,0,0]=4 778 B9R0.7 C=C(C)CO[C@@H](C)C(=O)O a50f171d31d69d7b32f91370f5a6fc24 [0,1,0,0,0,1|2,0,0]=4 779 B9R0.7 C=C(C)CO[C@H](C)C(=O)O c708914884c2538adc7cf2cddac67a9b [0,1,0,0,0,1|2,0,0]=4 780 B9R0.7 C=C(Cl)CNC(C)C(=O)O 02718e80e93fe98eb1ff5478307d6c36 [0,1,0,0,0,1|1,0,1]=4 781 B9R0.7 C=C(Cl)CNC(O)C(=O)O 45c573a0278d95c52970c36ba147177f [0,1,0,0,0,1|1,0,1]=4 782 B9R0.7 C=C(Cl)CN[C@@H](C)C(=O)O 37f8e6538c7ee1a3cbee956899fb12c5 [0,1,0,0,0,1|1,0,1]=4 783 B9R0.7 C=C(Cl)CN[C@H](C)C(=O)O 42e250ec14ba01035d59dbf8319004fa [0,1,0,0,0,1|1,0,1]=4 784 B9R0.7 C=C(F)CNC(C)C(=O)O 5561b129a7713849bedffff3fa68eced [0,1,0,0,0,1|1,0,1]=4 785 B9R0.7 C=C(F)CNC(O)C(=O)O e9bfcfac9d1bdc85a515e0ebd8b4d7d8 [0,1,0,0,0,1|1,0,1]=4 786 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 0d1198cdf44620e161e507566e03c846 [0,1,0,0,0,1|1,0,1]=4 787 B9R0.7 C=C(F)CN[C@H](C)C(=O)O 2d73552c9ce59fea30b19426f027d96b [0,1,0,0,0,1|1,0,1]=4 788 B9R0.7 CC(=O)C(=O)NCC(=O)N 265792f446b39d85ab8aa40029e38320 [0,1,0,0,0,1|1,0,0]=3 789 B9R0.7 CC(=O)C(=O)NCC(C)O e690b65d928d90fc0d6b12987d3a9371 [0,1,0,0,0,1|1,0,1]=4 790 B9R0.7 CC(=O)C(=O)NC[C@@H](C)O 5a868f0143dd3dcf1b98a4ac7490f231 [0,1,0,0,0,1|1,0,1]=4 791 B9R0.7 CC(=O)C(=O)NC[C@H](C)O 98b4664b095699e712a1c75ed18a6d3f [0,1,0,0,0,1|1,0,1]=4 792 B9R0.7 CC(=O)C(C)NCC(=O)N 4669ff9f06ec48bd99983da9d189670a [0,1,0,0,0,1|1,0,0]=3 793 B9R0.7 CC(=O)C(C)NCC(=O)O 71016da385f2899dc86054b0d9f13d55 [0,1,0,0,0,1|0,0,0]=2 794 B9R0.7 CC(=O)C(C)NCC(C)O 356fd4969f309cd17504ab4716b94b6b [0,1,0,0,0,1|1,0,1]=4 795 B9R0.7 CC(=O)C(C)NC[C@@H](C)O 4d15f3f2bfa0fb88c4597ad63dd7383a [0,1,0,0,0,1|1,0,1]=4 796 B9R0.7 CC(=O)C(C)NC[C@H](C)O 9f16d7df284b4ed6122cd930dc772e91 [0,1,0,0,0,1|1,0,1]=4 797 B9R0.7 CC(=O)C(C)OCC(=O)N e3f17b1ba0618e1108930c4adaf65c06 [0,1,0,0,0,1|2,0,0]=4 798 B9R0.7 CC(=O)C(C)OCC(=O)O 3f4f655e2a9645b79486aa39f2af2bc2 [0,1,0,0,0,1|1,0,0]=3 799 B9R0.7 CC(=O)C(C)OCS(=O)O 28df88acd0226f183cbbb5939bee131c [0,1,0,0,0,1|2,0,0]=4 800 B9R0.7 CC(=O)CNC(=O)C(=O)C 3a5c25d3d66f29fd93aadc7437873a63 [0,1,0,0,0,1|1,0,0]=3 801 B9R0.7 CC(=O)CNC(=O)C(=O)N 202403fba6b53d5dc3db71d88a569b00 [0,1,0,0,0,1|1,0,1]=4 802 B9R0.7 CC(=O)CNC(C)C(=O)C e1f8e9de84603761e1d79968f5b5a7bd [0,1,0,0,0,1|1,0,0]=3 803 B9R0.7 CC(=O)CNC(C)C(=O)N 1ef184706684fe36653e649cd576dc96 [0,1,0,0,0,1|1,0,0]=3 804 B9R0.7 CC(=O)CNC(F)C(=O)N e6952092c7a0e7239d6e064b9ba53a51 [0,1,0,0,0,1|1,0,0]=3 805 B9R0.7 CC(=O)CN[C@@H](C)C(=O)N 57efa4da0a4e1e1b5e7a5f83e532f711 [0,1,0,0,0,1|1,0,0]=3 806 B9R0.7 CC(=O)CN[C@H](C)C(=O)N b38e588447d7c51a4111c6335d9a0bfd [0,1,0,0,0,1|1,0,0]=3 807 B9R0.7 CC(=O)COC(C)C(=O)C 247ac15271039fbba907fd165b3eb5ca [0,1,0,0,0,1|2,0,0]=4 808 B9R0.7 CC(=O)COC(C)C(=O)N 638e3c6ebf88c51b2652225ef006953e [0,1,0,0,0,1|2,0,0]=4 809 B9R0.7 CC(=O)CO[C@@H](C)C(=O)N c8f9fe9a6c067070a98a74322ee74059 [0,1,0,0,0,1|2,0,0]=4 810 B9R0.7 CC(=O)CO[C@H](C)C(=O)N d975aa5d2cb20008db77c9cce9a0d4a2 [0,1,0,0,0,1|2,0,0]=4 811 B9R0.7 CC(=O)N(C)CCC(=O)N 6ae7d60172c10ec7bf43a3f9afc3dfc2 [0,1,0,0,0,1|1,0,0]=3 812 B9R0.7 CC(=O)N(C)CCC(C)O a22cb8ae531445da2a841089e0f36632 [0,1,0,0,0,1|1,0,1]=4 813 B9R0.7 CC(C)C(C)NCC(=O)O 91d49b00bc2f98925645db40aaffec23 [0,1,0,0,0,1|1,0,1]=4 814 B9R0.7 CC(C)CNC(C)C(=O)O 95f3f70da5c52d8fcff64d575b644cc6 [0,1,0,0,0,1|1,0,1]=4 815 B9R0.7 CC(C)CNC(F)C(=O)O 3711a9670c069b61c1c67d7849298242 [0,1,0,0,0,1|1,0,1]=4 816 B9R0.7 CC(C)CNC(O)C(=O)O 56c2775cf664a9536ae56c2e0f8fb5b9 [0,1,0,0,0,1|1,0,1]=4 817 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 8a76b9132fa71c37af073ea71f14d908 [0,1,0,0,0,1|1,0,1]=4 818 B9R0.7 CC(C)CN[C@@H](F)C(=O)O ce55718c38f59931fe6cf543c7b3ebcf [0,1,0,0,0,1|1,0,1]=4 819 B9R0.7 CC(C)CN[C@H](C)C(=O)O 3f45bea020626ccc8ec99438f12126a4 [0,1,0,0,0,1|1,0,1]=4 820 B9R0.7 CC(C)N(C)CCC(=O)O 9a4c4fa3008269d113851da06265fa69 [0,1,0,0,0,1|1,0,1]=4 821 B9R0.7 CC(C)NCC(C)C(=O)O 48514b1b15d268c29686084b8a8d2d09 [0,1,0,0,0,1|1,0,1]=4 822 B9R0.7 CC(C)NCC(F)C(=O)O 861691fa5d69b6285a7fb70768f89e36 [0,1,0,0,0,1|1,0,1]=4 823 B9R0.7 CC(C)NCC(O)C(=O)O 3c07f41ba869fad28628ce0e0eb9eb4d [0,1,0,0,0,1|1,0,1]=4 824 B9R0.7 CC(C)NC[C@@H](C)C(=O)O eeb01880b97f7b36610e05c2883a075b [0,1,0,0,0,1|1,0,1]=4 825 B9R0.7 CC(C)NC[C@@H](O)C(=O)O eb6cf8a2e9cb3af443f150092edec970 [0,1,0,0,0,1|1,0,1]=4 826 B9R0.7 CC(C)NC[C@H](C)C(=O)O 5780cd753c39f96a6d86de7929d8156a [0,1,0,0,0,1|1,0,1]=4 827 B9R0.7 CC(C)NC[C@H](O)C(=O)O 84ab021a3398610ee2c835c2429ab0e4 [0,1,0,0,0,1|1,0,1]=4 828 B9R0.7 CC(C)[C@@H](C)NCC(=O)O b819017e8dd0621ca989217241b6bdfb [0,1,0,0,0,1|1,0,1]=4 829 B9R0.7 CC(C)[C@H](C)NCC(=O)O 8157acac1e55fcb782ad50d024aa8bbc [0,1,0,0,0,1|1,0,1]=4 830 B9R0.7 CC(NCC(=O)N)C(=O)N b8e54a22761e7a4d1275e4056c43c809 [0,1,0,0,0,1|2,0,0]=4 831 B9R0.7 CC(NCC(=O)N)C(=O)O 12c431bedf774963eea7cc8ec240f9bb [0,1,0,0,0,1|1,0,0]=3 832 B9R0.7 CC(NCC(=O)O)C(=O)N 89c37092ee2f8b0e63268d273d0228ff [0,1,0,0,0,1|1,0,0]=3 833 B9R0.7 CC(NCC(=O)O)C(=O)O 987b2499311f8742f9deea3b5e39f6e6 [0,1,0,0,0,1|1,0,0]=3 834 B9R0.7 CC(NCN(C)C)C(=O)O e058f611a7944b54a8e4a69fa3d68dff [0,1,0,0,0,1|2,0,0]=4 835 B9R0.7 CC(NC[C@@H](C)O)C(=O)O e809ce2c26bcb016686927f7b1c7a395 [0,1,0,0,0,1|0,0,2]=4 836 B9R0.7 CC(NC[C@H](C)O)C(=O)O d508d1661713f75e41ed860ce7457545 [0,1,0,0,0,1|0,0,2]=4 837 B9R0.7 CC(NC[N+](=O)[O-])C(=O)O f083c5c533c118c47ab36d91e496ac98 [0,1,0,0,0,1|2,0,0]=4 838 B9R0.7 CC(O)C(C)NCC(=O)O 6fd6b2ea1088c99dba5e071db522af6e [0,1,0,0,0,1|0,0,2]=4 839 B9R0.7 CC(O)CNC(C)C(=O)O 8f378c3b2577a664e81978bed6d085ad [0,1,0,0,0,1|0,0,2]=4 840 B9R0.7 CC(O)CNC(O)C(=O)O 5e6094d83c3524909868e222ec813376 [0,1,0,0,0,1|0,0,2]=4 841 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 5ddc35dc14ba5aa589c4aa25f6e3299a [0,1,0,0,0,1|0,0,2]=4 842 B9R0.7 CC(O)CN[C@H](C)C(=O)O 4d91ad475557f6f0126eddf20ec91d26 [0,1,0,0,0,1|0,0,2]=4 843 B9R0.7 CC(OCC(=O)N)C(=O)O b03fb8a7fd862f258b619b4cc7880cfb [0,1,0,0,0,1|2,0,0]=4 844 B9R0.7 CC(OCC(=O)O)C(=O)N db28e9b2c87c1d0947641fc2652da557 [0,1,0,0,0,1|2,0,0]=4 845 B9R0.7 CC(OCC(=O)O)C(=O)O 703dd626490aec635a09876bfd310d6e [0,1,0,0,0,1|2,0,0]=4 846 B9R0.7 CN(C)CNC(O)C(=O)O 514e27cf974abcb81fa8750ea67f9650 [0,1,0,0,0,1|2,0,0]=4 847 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 3236ba8340084049a6e797c553caf433 [0,1,0,0,0,1|2,0,0]=4 848 B9R0.7 C[C@@H](NCC(=O)N)C(=O)O f4c5292da88c22300ec1d7a42633c357 [0,1,0,0,0,1|1,0,0]=3 849 B9R0.7 C[C@@H](NCC(=O)O)C(=O)N bfe024e754ce1f221307332ca4690333 [0,1,0,0,0,1|1,0,0]=3 850 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O 415a0334860aefb2a3620bf8fdc363b7 [0,1,0,0,0,1|1,0,0]=3 851 B9R0.7 C[C@@H](NCN(C)C)C(=O)O b71bf2ae1b9b1319ba65f4a4616917da [0,1,0,0,0,1|2,0,0]=4 852 B9R0.7 C[C@@H](NC[N+](=O)[O-])C(=O)O faf87dceade95b43fb0fce2617e5437f [0,1,0,0,0,1|2,0,0]=4 853 B9R0.7 C[C@@H](O)CNC(O)C(=O)O 53522750083f40c42a75c8d1a51d10e1 [0,1,0,0,0,1|0,0,2]=4 854 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)O 6c09363025908b429c9f6a9c87360a44 [0,1,0,0,0,1|0,0,2]=4 855 B9R0.7 C[C@@H](OCC(=O)N)C(=O)O 86c2c5417278aae756f6aeca523ec66d [0,1,0,0,0,1|2,0,0]=4 856 B9R0.7 C[C@@H](OCC(=O)O)C(=O)N 0df6cadb7afb5df43c33d22fe1ce57b8 [0,1,0,0,0,1|2,0,0]=4 857 B9R0.7 C[C@@H](OCC(=O)O)C(=O)O 4a8d16a0c243ab4716ea82e35fa33547 [0,1,0,0,0,1|2,0,0]=4 858 B9R0.7 C[C@H](NCC(=O)N)C(=O)N 5e2b5813dfa07f09c0bfb07145272861 [0,1,0,0,0,1|2,0,0]=4 859 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 60afe78c4eedef790de6ca6532beb156 [0,1,0,0,0,1|1,0,0]=3 860 B9R0.7 C[C@H](NCC(=O)O)C(=O)N a9a64082f6699f672e6c1e7ab7305b25 [0,1,0,0,0,1|1,0,0]=3 861 B9R0.7 C[C@H](NCC(=O)O)C(=O)O f9625cec5eb0d5af5124541dcd344e57 [0,1,0,0,0,1|1,0,0]=3 862 B9R0.7 C[C@H](NCN(C)C)C(=O)O 890cc561e2705dfd45b43ad18d204e90 [0,1,0,0,0,1|2,0,0]=4 863 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O e4a79b78aaf76db8d949999ecfcb00bc [0,1,0,0,0,1|0,0,2]=4 864 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 0192ca9ea8752d43981f02bd779e8978 [0,1,0,0,0,1|2,0,0]=4 865 B9R0.7 C[C@H](O)CNC(O)C(=O)O 2718c7b8bbc967e12d5b2f298426a47e [0,1,0,0,0,1|0,0,2]=4 866 B9R0.7 C[C@H](O)CN[C@@H](C)C(=O)O 6a6c67ca6662759fc2db97e0c2faf3d9 [0,1,0,0,0,1|0,0,2]=4 867 B9R0.7 C[C@H](O)CN[C@H](C)C(=O)O 43b98191e964d18ae40cd9f3d82f80ac [0,1,0,0,0,1|0,0,2]=4 868 B9R0.7 C[C@H](OCC(=O)N)C(=O)O 85d8e2a0406c89a85ba163325cddb16a [0,1,0,0,0,1|2,0,0]=4 869 B9R0.7 C[C@H](OCC(=O)O)C(=O)N 9f3566138f221d3fa100bde817697c75 [0,1,0,0,0,1|2,0,0]=4 870 B9R0.7 C[C@H](OCC(=O)O)C(=O)O fee1967c0e07a40963d81dc0d0074185 [0,1,0,0,0,1|2,0,0]=4 871 B9R0.7 NC(=O)CNC(=O)C(=O)N 9f10fb5a9be0e8f4dbb07c488a4e0639 [0,1,0,0,0,1|2,0,0]=4 872 B9R0.7 NC(=O)CNC(O)C(=O)O e22e745b56c329f1467f6492ff91646e [0,1,0,0,0,1|1,0,0]=3 873 B9R0.7 O=C(O)C(O)NC[N+](=O)[O-] 9d6f3def821fa620a12f7bca8bd6be27 [0,1,0,0,0,1|2,0,0]=4 874 B9R0.7 O=C(O)CNC(O)C(=O)O a8c737be266278e1899519c4760056de [0,1,0,0,0,1|1,0,0]=3 875 B9R0.53 C=C(Br)CN(C)CC(=O)O e957462c1b6372977a7f8dc18732fdca [0,1,0,0,0,1|1,0,1]=4 876 B9R0.53 C=C(C)CN(C)CC(=O)N cc134986af5d07d09e97b16d9c63cd32 [0,1,0,0,0,1|2,0,0]=4 877 B9R0.53 C=C(C)CN(C)CC(=O)O 4cf70052902d112170b9898763232e96 [0,1,0,0,0,1|1,0,0]=3 878 B9R0.53 C=C(Cl)CN(C)CC(=O)O fea65b214dd155e5ccfa6b586e2f5689 [0,1,0,0,0,1|1,0,1]=4 879 B9R0.53 C=C(F)CN(C)CC(=O)O 1bfdd61037dcfafaf91556f4a6a4e646 [0,1,0,0,0,1|1,0,1]=4 880 B9R0.53 CC(=O)NC(C)CC(C)O 63f7a0b1a21e0057f34d593522b48745 [0,1,0,0,0,1|1,0,1]=4 881 B9R0.53 CC(C)CN(C)CC(=O)O 8c62f4b6b1fb144868fb4d2e68a9ef67 [0,1,0,0,0,1|1,0,1]=4 882 B9R0.53 CC(C)NC(C)CC(=O)O 3f158c2507a9d14e5e314adf36bf882d [0,1,0,0,0,1|1,0,1]=4 883 B9R0.53 CC(C)N[C@@H](C)CC(=O)O a9f55dfe91b2c83d047ae147d6dcde4a [0,1,0,0,0,1|1,0,1]=4 884 B9R0.53 CC(C)N[C@H](C)CC(=O)O be43bec59f1dc06e78d63a1757b9b9df [0,1,0,0,0,1|1,0,1]=4 885 B9R0.53 CC(O)CN(C)CC(=O)O 36b5f303d7d498b862a96e5f52dfaaee [0,1,0,0,0,1|0,0,2]=4 886 B9R0.53 CN(C)CN(C)CC(=O)O 607e109ef7149c2b024c53aa781b5121 [0,1,0,0,0,1|2,0,0]=4 887 B9R0.53 CN(CC(=O)N)CC(=O)N 037eceb3121fe776bc7180be279a7425 [0,1,0,0,0,1|2,0,0]=4 888 B9R0.53 CN(CC(=O)N)CC(=O)O 80a408a9755d8f953b5b1d57f8f8c597 [0,1,0,0,0,1|1,0,0]=3 889 B9R0.53 CN(CC(=O)O)CC(=O)O 232ba4c1490720bda05df22b947a829b [0,1,0,0,0,1|1,0,0]=3 890 B9R0.53 CN(CC(=O)O)C[N+](=O)[O-] 99c2999ffa1fd0e2046e092ad4b1a8af [0,1,0,0,0,1|2,0,0]=4 891 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 5af70c256fb5937ef5e9d353811b57e0 [0,1,0,0,0,1|0,0,2]=4 892 B9R0.53 C[C@H](O)CN(C)CC(=O)O be06a32a46d065021265c880ebd02b82 [0,1,0,0,0,1|0,0,2]=4 893 B9R0.56 C=C(C)CNCS(=O)(=O)O e8c1278698215b86e475f53bfad527ee [0,1,0,0,0,1|2,0,0]=4 894 B9R0.56 CC(=O)CNCC(C)(C)O 4768c2ef33c494cf1cb460ccf8992d46 [0,1,0,0,0,1|1,0,1]=4 895 B9R0.56 CC(=O)CNCS(=O)(=O)C 52b856da5ab82703034eaf4210b04f94 [0,1,0,0,0,1|1,0,1]=4 896 B9R0.56 CC(=O)CNCS(=O)(=O)O 712d8b43937747273cb692fdc63fc242 [0,1,0,0,0,1|1,0,0]=3 897 B9R0.56 CC(=O)NCCC(C)(C)O 09bac841bd2153dd8b07a31d7318af00 [0,1,0,0,0,1|1,0,1]=4 898 B9R0.56 CC(=O)NCCS(=O)(=O)C daa3f1a9f9b43f4eedfd7954be956955 [0,1,0,0,0,1|1,0,1]=4 899 B9R0.56 CC(=O)NCCS(=O)(=O)N f9dabafd5ed75fdf3971bc071c141883 [0,1,0,0,0,1|1,0,1]=4 900 B9R0.56 CC(=O)NCCS(=O)(=O)O c053345e0f02d01d048af65c3537a20f [0,1,0,0,0,1|1,0,0]=3 901 B9R0.56 CC(C)(C)CNCC(=O)O 48484e77a3391febaff23cc27f83c632 [0,1,0,0,0,1|1,0,1]=4 902 B9R0.56 CC(C)(C)NCCC(=O)O 843cfa476336bc74d5fb0cc3c9d1d480 [0,1,0,0,0,1|1,0,1]=4 903 B9R0.56 CC(C)(F)CNCC(=O)O f0045d40b935ce4307fdd8a98e27d771 [0,1,0,0,0,1|1,0,1]=4 904 B9R0.56 CC(C)(O)CNCC(=O)O e151ab0ab3d97e396aa0fed6e804877e [0,1,0,0,0,1|0,0,2]=4 905 B9R0.56 CC(F)(F)CNCC(=O)O 8858e699e4dfb7eb008c121635e7625c [0,1,0,0,0,1|1,0,1]=4 906 B9R0.56 CS(=O)(=O)CNCC(=O)N 1e35edbddfafe98f55be56bae3181e68 [0,1,0,0,0,1|2,0,0]=4 907 B9R0.56 CS(=O)(=O)CNCC(=O)O b3d4b916729f0f05a36cb4efab798f74 [0,1,0,0,0,1|1,0,0]=3 908 B9R0.56 CS(=O)(=O)COCC(=O)O dca250325b5ffe688b8783789ecabd22 [0,1,0,0,0,1|2,0,0]=4 909 B9R0.56 NC(=O)CNCS(=O)(=O)O ed641d26cadfb9339bbb43f1eb50b857 [0,1,0,0,0,1|2,0,0]=4 910 B9R0.56 O=C(O)CNCS(=O)(=O)O 06072f2cdfb3fe18c19d4842e5550970 [0,1,0,0,0,1|2,0,0]=4 911 B9R0.21 C#CC(=O)NCS(=O)(=O)O 350ccea421253d30b40c1685db2764ee [0,2,0,0,0,0|1,0,1]=4 912 B9R0.21 C=CC(=O)NCS(=O)(=O)O abb74339275b9dea99a7d12950880dfd [0,2,0,0,0,0|1,0,1]=4 913 B9R0.21 CC(C)(C)NCC(=O)CO bd2920d44cbd48abf1be1ea18b7e8027 [0,2,0,0,0,0|1,0,1]=4 914 B9R0.21 CC(C)(O)CNC(=O)CF 47ec6587db50132eeacb54dac1c2a5f4 [0,2,0,0,0,0|1,0,1]=4 915 B9R0.21 CC(C)(O)CNC(=O)CO 9b5cbf1ef1bb371c97021f3052a4069a [0,2,0,0,0,0|1,0,1]=4 916 B9R0.21 CC(C)(O)CNC(=O)CS dc27eaecb3986c9665a788871bf01779 [0,2,0,0,0,0|1,0,1]=4 917 B9R0.21 CC(C=O)NCS(=O)(=O)O d01e5a50e8f65b15c28eaab3b0efebfa [0,2,0,0,0,0|1,0,1]=4 918 B9R0.21 CCC(=O)NCC(C)(C)O 5802c4f0abfb27030122b75932c3adec [0,2,0,0,0,0|1,0,1]=4 919 B9R0.21 CCC(=O)NCS(=O)(=O)O b283fbb3bba8b4731acf427260f6d243 [0,2,0,0,0,0|1,0,0]=3 920 B9R0.21 COC(=O)CNC(C)(C)C 46c32fde144901f82ab920e5e82a2fde [0,2,0,0,0,0|1,0,1]=4 921 B9R0.21 C[C@H](C=O)NCS(=O)(=O)O d6825b8d6408137d771028bd96e678ce [0,2,0,0,0,0|1,0,1]=4 922 B9R0.21 O=C(CO)NCS(=O)(=O)O c95e0b7dd2d85d0a86ccd026b63f1a2c [0,2,0,0,0,0|1,0,0]=3 923 B9R0.21 O=CC(=O)NCS(=O)(=O)O 99ac7db6de91b2c1a3b68f51cdaf84bd [0,2,0,0,0,0|1,0,1]=4 924 B9R0.23 C#CC(=O)N(C)CC(=O)N b2c811cfb9356a65f6be84e75531ed61 [0,2,0,0,0,0|1,0,1]=4 925 B9R0.23 C#CC(C)N(C)CC(=O)O 4442316597ae57199614f7bda7b15e0b [0,2,0,0,0,0|1,0,1]=4 926 B9R0.23 C=CC(=O)N(C)CC(=O)N 6445d7767904edb27c2ef480da8487ff [0,2,0,0,0,0|1,0,1]=4 927 B9R0.23 C=CC(C)N(C)CC(=O)O b2867095761bc509a710df8f75377588 [0,2,0,0,0,0|1,0,1]=4 928 B9R0.23 CC(C=O)N(C)CC(=O)N 94efdaaf8ee510fcfe8aa71fa3c3aee9 [0,2,0,0,0,0|1,0,1]=4 929 B9R0.23 CC(C=O)N(C)CC(=O)O 42e8595385f1708c885bb9847ad49685 [0,2,0,0,0,0|0,0,1]=3 930 B9R0.23 CC(CO)N(C)CC(=O)O 9e070eef5f318fe46c235cf3ef744af9 [0,2,0,0,0,0|0,0,2]=4 931 B9R0.23 CC(O)CN(C)C(=O)CF 09c8250d04194e73b69707dd97084888 [0,2,0,0,0,0|1,0,1]=4 932 B9R0.23 CC(O)CN(C)C(=O)CO d475f02181f4cbbc4ba97843a5c9c944 [0,2,0,0,0,0|1,0,1]=4 933 B9R0.23 CC(O)CN(C)C(=O)CS 88913a4c772c2ffd3ad953b9df3a48a0 [0,2,0,0,0,0|1,0,1]=4 934 B9R0.23 CCC(=O)N(C)CC(=O)N c5a50f35b1cd1bf48f76518c313d8a6a [0,2,0,0,0,0|1,0,0]=3 935 B9R0.23 CCC(=O)N(C)CC(C)O b37926e3e0139f5802fffee824863659 [0,2,0,0,0,0|1,0,1]=4 936 B9R0.23 CCC(=O)N(C)C[C@H](C)O d094a8f9fbd58446360aa9a2aa1c6626 [0,2,0,0,0,0|1,0,1]=4 937 B9R0.23 CCC(C)N(C)CC(=O)O 75aef3e777568a148fc6457fb567c3e8 [0,2,0,0,0,0|1,0,1]=4 938 B9R0.23 CN(CC(=O)N)C(=O)C=O 589273f4a8772beda583dbb3e66a1124 [0,2,0,0,0,0|1,0,1]=4 939 B9R0.23 CN(CC(=O)N)C(=O)CF a13951e0c3b41d73f56fe4fcaa2d9421 [0,2,0,0,0,0|1,0,0]=3 940 B9R0.23 CN(CC(=O)N)C(=O)CO 711c24200cb93117138ade53aa7d9b58 [0,2,0,0,0,0|1,0,0]=3 941 B9R0.23 CN(CC(=O)N)C(=O)CS 3e918f22b2390a97bffeb09bc5194233 [0,2,0,0,0,0|1,0,0]=3 942 B9R0.23 CNC(=O)C(C)NC(=O)C 20dcd5ed09ea0b27a914b41bad316179 [0,2,0,0,0,0|1,0,0]=3 943 B9R0.23 C[C@@H](CO)N(C)CC(=O)O 28f9fcefb5baf6112312a5544f0c6757 [0,2,0,0,0,0|0,0,2]=4 944 B9R0.23 C[C@H](C=O)N(C)CC(=O)N 4dde567ae9a4fb2054a5eda0428e9aa2 [0,2,0,0,0,0|1,0,1]=4 945 B9R0.23 C[C@H](C=O)N(C)CC(=O)O 627b1938d4a1b55a260a248683085e0c [0,2,0,0,0,0|0,0,1]=3 946 B9R0.23 C[C@H](CO)N(C)CC(=O)O 506d89a3b4907e205d467d9fb789b7c5 [0,2,0,0,0,0|0,0,2]=4 947 B9R0.23 C[C@H](O)CN(C)C(=O)CF c076c58da023e1446dd4f058e615a628 [0,2,0,0,0,0|1,0,1]=4 948 B9R0.23 C[C@H](O)CN(C)C(=O)CO b7f8532f0730d951b98a35b7c7ce0028 [0,2,0,0,0,0|1,0,1]=4 949 B9R0.23 C[C@H](O)CN(C)C(=O)CS 21bb4e5179ebdd2b25b79c190433e740 [0,2,0,0,0,0|1,0,1]=4 950 B9R0.24 C#CC(=O)NCC(=O)NC f5571999c2b96b3a821e27aed1e1ae8e [0,2,0,0,0,0|1,0,1]=4 951 B9R0.24 C#CC(=O)NCC(=O)NO ee99942b6495773768474f3deea3c2ad [0,2,0,0,0,0|0,0,1]=3 952 B9R0.24 C#CC(=O)NCC(=O)OC 58040c2fd7a90666a43d05947915fc8f [0,2,0,0,0,0|0,0,1]=3 953 B9R0.24 C#CC(C)NCC(=O)CO aca125c36f3fff20abf5c36bfd95551a [0,2,0,0,0,0|1,0,1]=4 954 B9R0.24 C#CC(C)NCC(=O)NO 708e03eaa020b26f76acfb773352d776 [0,2,0,0,0,0|1,0,1]=4 955 B9R0.24 C#CC(C)NCC(=O)OC d3111511e0f3b63da9cf8fbb6803bdcd [0,2,0,0,0,0|1,0,1]=4 956 B9R0.24 C#C[C@@H](C)NCC(=O)CO 3807184f49a7845a3c47fec86cea39e0 [0,2,0,0,0,0|1,0,1]=4 957 B9R0.24 C#C[C@@H](C)NCC(=O)OC f70b2489bdb7e036e2d5461d0aad8357 [0,2,0,0,0,0|1,0,1]=4 958 B9R0.24 C#C[C@H](C)NCC(=O)CO 639e513a5c1c7c58d07732e858f7cb7a [0,2,0,0,0,0|1,0,1]=4 959 B9R0.24 C#C[C@H](C)NCC(=O)OC 7e17f72d06f7ebbab6d4051854da7b9a [0,2,0,0,0,0|1,0,1]=4 960 B9R0.24 C=C(C=O)OCC(=O)OC b4731eaa7320808b65497d6e761603e5 [0,2,0,0,0,0|1,0,1]=4 961 B9R0.24 C=CC(=O)NCC(=O)NC 5317a287b45e7a1fba64569aef1f5016 [0,2,0,0,0,0|1,0,1]=4 962 B9R0.24 C=CC(=O)NCC(=O)NO 79616c07e926c3ca7ce4463f008f937e [0,2,0,0,0,0|0,0,1]=3 963 B9R0.24 C=CC(=O)NCC(=O)OC 10e57b5c3b90d94c9f9d63ae5b51ab60 [0,2,0,0,0,0|0,0,1]=3 964 B9R0.24 C=CC(C)NCC(=O)CO b252e851a4d424d1074ec962a0cf8724 [0,2,0,0,0,0|1,0,1]=4 965 B9R0.24 C=CC(C)NCC(=O)NO f493b9d5e4bf3716ea5090c9e619d164 [0,2,0,0,0,0|1,0,1]=4 966 B9R0.24 C=CC(C)NCC(=O)OC 458ca9e0f72429bc5b6a0666dc9887f6 [0,2,0,0,0,0|1,0,1]=4 967 B9R0.24 C=CC(O)CNC(=O)CC 5dae01518c4bb494dbea2d0cab69542a [0,2,0,0,0,0|1,0,1]=4 968 B9R0.24 C=CC(O)CNC(=O)CF 65d1caac326c7fba97fd00133b18969f [0,2,0,0,0,0|1,0,1]=4 969 B9R0.24 C=CC(O)CNC(=O)CO c238e57d0ffe7e23546016fbd41dae34 [0,2,0,0,0,0|1,0,1]=4 970 B9R0.24 C=CC(O)CNC(=O)CS 134cf46a9950b85a48f93dfa14aedad5 [0,2,0,0,0,0|1,0,1]=4 971 B9R0.24 CC(C#N)NCC(=O)CO 853106096bbd483be5c66e6267057089 [0,2,0,0,0,0|1,0,1]=4 972 B9R0.24 CC(C#N)NCC(=O)NO 8f4202fc5931c8f8d1ac5d6e244719ba [0,2,0,0,0,0|1,0,1]=4 973 B9R0.24 CC(C=O)NCC(=O)NO bc51939da60c90ef1be22a27ae9a7c85 [0,2,0,0,0,0|0,0,1]=3 974 B9R0.24 CC(CO)CNC(=O)CF dfa95f0e838d6050ac5f9dd06f8dcae3 [0,2,0,0,0,0|1,0,1]=4 975 B9R0.24 CC(CO)CNC(=O)CO c433cb913c3f4a048671fb23e261810a [0,2,0,0,0,0|1,0,1]=4 976 B9R0.24 CC(CO)CNC(=O)CS 9cad581698394879ce09e326a14b10e9 [0,2,0,0,0,0|1,0,1]=4 977 B9R0.24 CC(CO)NCC(=O)CO c585403df2dd549fbed6db13dd1f46fc [0,2,0,0,0,0|0,0,2]=4 978 B9R0.24 CC(CO)NCC(=O)NO 4aeda96bb4fd1908b9129c8e3077b0d9 [0,2,0,0,0,0|0,0,2]=4 979 B9R0.24 CCC(=O)NCC(=O)NC 8de52928441a61924092fabfe9a4462b [0,2,0,0,0,0|1,0,0]=3 980 B9R0.24 CCC(=O)NCC(=O)NO 07ad78ca4776594e09bc2b7c3a7c2f28 [0,2,0,0,0,0|0,0,0]=2 981 B9R0.24 CCC(=O)NCC(=O)OC 5f6ec2d5f91cea317b39ea7a589feebf [0,2,0,0,0,0|0,0,0]=2 982 B9R0.24 CCC(=O)NCC(C)CO fa40852dedb4d165bd8eab47072e49aa [0,2,0,0,0,0|1,0,1]=4 983 B9R0.24 CCC(=O)NCC(F)CO da914e5d2d34db9e286a8be9de392042 [0,2,0,0,0,0|1,0,1]=4 984 B9R0.24 CCC(=O)NCC(O)CC 0c6f585c4a613c01d94eec57c41006a2 [0,2,0,0,0,0|1,0,1]=4 985 B9R0.24 CCC(=O)NCC(O)CO a9d4f4728b89c5e6414c2d930cfecd01 [0,2,0,0,0,0|0,0,2]=4 986 B9R0.24 CCC(=O)NC[C@@H](C)OC 2b4d3bc307acd070b3e7f7cf9dd3ff4c [0,2,0,0,0,0|1,0,1]=4 987 B9R0.24 CCC(=O)NC[C@@H](F)CO 34d2ade9786628e93d038c004af4fa10 [0,2,0,0,0,0|1,0,1]=4 988 B9R0.24 CCC(=O)NC[C@@H](O)CO 00282dbf7533c20a1e96c426773318a2 [0,2,0,0,0,0|0,0,2]=4 989 B9R0.24 CCC(=O)NC[C@H](C)CO 2514ca8a6ee761d51abaccbd3a6de585 [0,2,0,0,0,0|1,0,1]=4 990 B9R0.24 CCC(=O)NC[C@H](C)OC e43467fd548414270671303609820f3d [0,2,0,0,0,0|1,0,1]=4 991 B9R0.24 CCC(=O)NC[C@H](F)CO 165da4e28535ba63ffe6dbdbb9b7c71e [0,2,0,0,0,0|1,0,1]=4 992 B9R0.24 CCC(=O)NC[C@H](O)CC d28190137f6e71fee6c5823aba62fd52 [0,2,0,0,0,0|1,0,1]=4 993 B9R0.24 CCC(=O)NC[C@H](O)CO 3a2fa83cc974a2501a0e0cdc5c896afd [0,2,0,0,0,0|0,0,2]=4 994 B9R0.24 CCC(C)NCC(=O)CO 747086db77c014fda376410a8a49b40e [0,2,0,0,0,0|1,0,1]=4 995 B9R0.24 CCC(C)NCC(=O)NO 381df0511f7cfb53c95756cb7b77418d [0,2,0,0,0,0|1,0,1]=4 996 B9R0.24 CCC(C)NCC(=O)OC 59c2530d5471f061d4aa62b34152d7d0 [0,2,0,0,0,0|1,0,1]=4 997 B9R0.24 CCC(O)CNC(=O)CF 5703595eeaf3ecd363b7c14820e24fd8 [0,2,0,0,0,0|1,0,1]=4 998 B9R0.24 CCC(O)CNC(=O)CO 0928fe22cca3c4eea08bea77b1ae9315 [0,2,0,0,0,0|1,0,1]=4 999 B9R0.24 CCC(O)CNC(=O)CS a7aef8097f57ecee3e6d0de1b8bef33d [0,2,0,0,0,0|1,0,1]=4 1000 B9R0.24 CC[C@@H](C)NCC(=O)CO d8b4c8bcceaf1479e8e5170a427a4480 [0,2,0,0,0,0|1,0,1]=4 1001 B9R0.24 CC[C@@H](C)NCC(=O)OC 64edeba17979e2fe49241dd635a58ddb [0,2,0,0,0,0|1,0,1]=4 1002 B9R0.24 CC[C@@H](O)CNC(=O)CF ad570a8918919566498a65d0b9acf1d8 [0,2,0,0,0,0|1,0,1]=4 1003 B9R0.24 CC[C@@H](O)CNC(=O)CO 7575280e7285d9a3f58054ddb6e7bd3c [0,2,0,0,0,0|1,0,1]=4 1004 B9R0.24 CC[C@@H](O)CNC(=O)CS 54601b1a15927eccedc92db33a081850 [0,2,0,0,0,0|1,0,1]=4 1005 B9R0.24 CC[C@H](C)NCC(=O)CO e9206ac8cc3cd983500ccf78b1aa4921 [0,2,0,0,0,0|1,0,1]=4 1006 B9R0.24 CC[C@H](C)NCC(=O)OC 98f1fcbe76f73cc49ef7ab910e9d424b [0,2,0,0,0,0|1,0,1]=4 1007 B9R0.24 CNC(=O)CNC(=O)C=O 759912cd5b01f077d84bf1cd9fb0ace8 [0,2,0,0,0,0|1,0,1]=4 1008 B9R0.24 CNC(=O)CNC(=O)CF 72897abacfab65cc9e5973fe2b47b8b2 [0,2,0,0,0,0|1,0,0]=3 1009 B9R0.24 CNC(=O)CNC(=O)CO 2a2ebd817a9473b092a5321cf21642c9 [0,2,0,0,0,0|1,0,0]=3 1010 B9R0.24 CNC(=O)CNC(=O)CS 823c24cccea0dfd45a6ad63e70295ae4 [0,2,0,0,0,0|1,0,0]=3 1011 B9R0.24 CNC(=O)CNC(C)C=O 698c8eb478def56f2cd450ad51815ac7 [0,2,0,0,0,0|1,0,1]=4 1012 B9R0.24 CNC(=O)CN[C@H](C)C=O c357bffb216055d81b43f97b397657c3 [0,2,0,0,0,0|1,0,1]=4 1013 B9R0.24 COC(=O)CCN(C)C=O c30203a4eca8affce824fc80a9b45f76 [0,2,0,0,0,0|2,0,0]=4 1014 B9R0.24 COC(=O)CNC(=O)C=O 8770afb695a551371434e33fe8693b12 [0,2,0,0,0,0|0,0,1]=3 1015 B9R0.24 COC(=O)CNC(=O)CF b3ead293da577a849ff28915b38843bb [0,2,0,0,0,0|0,0,0]=2 1016 B9R0.24 COC(=O)CNC(=O)CO d176581f5d9690d46fec33f4e68508b3 [0,2,0,0,0,0|0,0,0]=2 1017 B9R0.24 COC(=O)CNC(=O)CS 6e06f3ed9018d8a3d709b154968f670a [0,2,0,0,0,0|0,0,0]=2 1018 B9R0.24 COC(=O)CNC(C)C#N fc01721820eed30ba9b4b8cb59d5d728 [0,2,0,0,0,0|1,0,1]=4 1019 B9R0.24 COC(=O)CNC(C)C=O 2dfcf6cde44b92f9471ba53f321fd2aa [0,2,0,0,0,0|0,0,1]=3 1020 B9R0.24 COC(=O)CNC(C)CO 77bfeb42b55f78705d2d10d16062fb5d [0,2,0,0,0,0|0,0,2]=4 1021 B9R0.24 COC(=O)CN[C@@H](C)CO a8bf9a0ee8b1f8cec0f7a692c165f630 [0,2,0,0,0,0|0,0,2]=4 1022 B9R0.24 COC(=O)CN[C@H](C)C=O 1463b380ab51139274cc8359c96a1f75 [0,2,0,0,0,0|0,0,1]=3 1023 B9R0.24 COC(=O)CN[C@H](C)CO 9b055f26dd8da05358a6f557b707100d [0,2,0,0,0,0|0,0,2]=4 1024 B9R0.24 COC(=O)COC(C)C=O 2893581629e04d22b3e4e05cd3ab89b1 [0,2,0,0,0,0|1,0,1]=4 1025 B9R0.24 COC(=O)CO[C@H](C)C=O 18cc6747b068bee5fcd005922c770056 [0,2,0,0,0,0|1,0,1]=4 1026 B9R0.24 CO[C@@H](C)CNC(=O)CF 9c71752e88e3537f1549ea2c34796f20 [0,2,0,0,0,0|1,0,1]=4 1027 B9R0.24 CO[C@@H](C)CNC(=O)CO b95fa8c7148a81b6451cdc622cbb6140 [0,2,0,0,0,0|1,0,1]=4 1028 B9R0.24 CO[C@@H](C)CNC(=O)CS b904d4a82cbed37ba466c43dfd72cd4b [0,2,0,0,0,0|1,0,1]=4 1029 B9R0.24 CO[C@H](C)CNC(=O)CF cd8f253fbdfc6148e4534a97efffcc39 [0,2,0,0,0,0|1,0,1]=4 1030 B9R0.24 CO[C@H](C)CNC(=O)CO 27142753b862c3bf94f22d3bf8c13f99 [0,2,0,0,0,0|1,0,1]=4 1031 B9R0.24 CO[C@H](C)CNC(=O)CS dff05e26c5c67063a3031ad9d0febc1c [0,2,0,0,0,0|1,0,1]=4 1032 B9R0.24 C[C@@H](CO)NCC(=O)CO 3225b42a885f3ed6c68d39acb497e53e [0,2,0,0,0,0|0,0,2]=4 1033 B9R0.24 C[C@@H](CO)NCC(=O)NO c3a18fba71dcb5aefd276e7d08a9ad65 [0,2,0,0,0,0|0,0,2]=4 1034 B9R0.24 C[C@H](C=O)NCC(=O)NO 4fc8691513b3c6a6c1196a36c9c69103 [0,2,0,0,0,0|0,0,1]=3 1035 B9R0.24 C[C@H](CO)CNC(=O)CF 3baa2e9c752d4b66ae409b5801b3170a [0,2,0,0,0,0|1,0,1]=4 1036 B9R0.24 C[C@H](CO)CNC(=O)CO a5fe05048ffdec3dc3e750a075dbac29 [0,2,0,0,0,0|1,0,1]=4 1037 B9R0.24 C[C@H](CO)CNC(=O)CS fb0b1510ecf30d05159447a3aa7ebcfe [0,2,0,0,0,0|1,0,1]=4 1038 B9R0.24 C[C@H](CO)NCC(=O)CO b3f42dfe0dee068b7cc05a35951cfa2a [0,2,0,0,0,0|0,0,2]=4 1039 B9R0.24 C[C@H](CO)NCC(=O)NO 12ef88be17cdd87cc51ff039fa32572a [0,2,0,0,0,0|0,0,2]=4 1040 B9R0.24 O=C(CF)NCC(F)CO 7ce60ba79a915df3463298a1dd917e52 [0,2,0,0,0,0|1,0,1]=4 1041 B9R0.24 O=C(CF)NCC(O)CO 93ccddc75530697e181ce579fba37770 [0,2,0,0,0,0|0,0,2]=4 1042 B9R0.24 O=C(CF)NC[C@@H](F)CO 75a27a56b2beba0034ab45c5b6576756 [0,2,0,0,0,0|1,0,1]=4 1043 B9R0.24 O=C(CF)NC[C@@H](O)CO 2cb9257ace931a0a5835d026b87348b9 [0,2,0,0,0,0|0,0,2]=4 1044 B9R0.24 O=C(CF)NC[C@H](F)CO 36665df2e28d838727fffc032609bb5d [0,2,0,0,0,0|1,0,1]=4 1045 B9R0.24 O=C(CF)NC[C@H](O)CO ec46af1213ba8ecae10ee4f9b08ad9b4 [0,2,0,0,0,0|0,0,2]=4 1046 B9R0.24 O=C(CNC(=O)CO)NO 638244c8eafd810beb185e51f5e2ab28 [0,2,0,0,0,0|0,0,0]=2 1047 B9R0.24 O=C(CO)NCC(F)CO f5afcde18fbedef6152670175120d59b [0,2,0,0,0,0|1,0,1]=4 1048 B9R0.24 O=C(CO)NCC(O)CO 59b8d1e3f5dbb6e0d8cc49e15f524bcd [0,2,0,0,0,0|0,0,2]=4 1049 B9R0.24 O=C(CO)NC[C@@H](F)CO b9c1f0734722ad851767f4eb2e4059da [0,2,0,0,0,0|1,0,1]=4 1050 B9R0.24 O=C(CO)NC[C@@H](O)CO 7aaab2ab4025c8fed32eec6928cf259f [0,2,0,0,0,0|0,0,2]=4 1051 B9R0.24 O=C(CO)NC[C@H](F)CO 2af544e2c542cb586c92bda3d07e068d [0,2,0,0,0,0|1,0,1]=4 1052 B9R0.24 O=C(CO)NC[C@H](O)CO 33ab51de405864fc5b6ae5961bb63355 [0,2,0,0,0,0|0,0,2]=4 1053 B9R0.24 O=C(CS)NCC(F)CO e22855867005c6b6af0d2770a6e66487 [0,2,0,0,0,0|1,0,1]=4 1054 B9R0.24 O=C(CS)NCC(O)CO d6ae5a2eead134801db417928744c7e8 [0,2,0,0,0,0|0,0,2]=4 1055 B9R0.24 O=C(CS)NC[C@@H](F)CO fec3ff0604535a98fe958333bb8dd441 [0,2,0,0,0,0|1,0,1]=4 1056 B9R0.24 O=C(CS)NC[C@@H](O)CO 12032cda85e9b9272a3def1faa2e6a01 [0,2,0,0,0,0|0,0,2]=4 1057 B9R0.24 O=C(CS)NC[C@H](F)CO 913f91ef2805d92198f0e124176611d2 [0,2,0,0,0,0|1,0,1]=4 1058 B9R0.24 O=C(CS)NC[C@H](O)CO c52c0e2e59b48bd9285d833578c142b2 [0,2,0,0,0,0|0,0,2]=4 1059 B9R0.24 O=CC(=O)NCC(=O)NO ca78486e63e1a64ad01c0fa295dfefc2 [0,2,0,0,0,0|0,0,1]=3 1060 B9R0.42 C#CC(=O)NC(C)C(=O)N b7389f49a572151a3a165d346a3cf358 [0,2,0,0,0,0|1,0,1]=4 1061 B9R0.42 C#CC(=O)N[C@@H](C)C(=O)N e7cd047e2a7659fc31e1272ffdb4b1f7 [0,2,0,0,0,0|1,0,1]=4 1062 B9R0.42 C#CC(=O)N[C@H](C)C(=O)N a1843ea576480f0dd695c60d16962e4a [0,2,0,0,0,0|1,0,1]=4 1063 B9R0.42 C#CC(C)NC(C)C(=O)O 47412c0503f341919877078a4de3b15b [0,2,0,0,0,0|1,0,1]=4 1064 B9R0.42 C#CC(C)NC(O)C(=O)O b7acf73e8148e88a7816d02761728c70 [0,2,0,0,0,0|1,0,1]=4 1065 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 3269fe6bbad23670c46cb1b49d0bf083 [0,2,0,0,0,0|1,0,1]=4 1066 B9R0.42 C#CC(C)N[C@H](C)C(=O)O 2df8ca07c5b3a2e429ec6180cebd0ff1 [0,2,0,0,0,0|1,0,1]=4 1067 B9R0.42 C#C[C@@H](C)NC(C)C(=O)O 434172b16639df33027afc7a81c556b7 [0,2,0,0,0,0|1,0,1]=4 1068 B9R0.42 C#C[C@@H](C)N[C@@H](C)C(=O)O c56a51179a366073685e661195b7ddae [0,2,0,0,0,0|1,0,1]=4 1069 B9R0.42 C#C[C@@H](C)N[C@H](C)C(=O)O 67046238bd4ab30b8bb5eca429d2549b [0,2,0,0,0,0|1,0,1]=4 1070 B9R0.42 C#C[C@H](C)NC(C)C(=O)O 3af0b91c05932c8a9ea6fe09e0e8bade [0,2,0,0,0,0|1,0,1]=4 1071 B9R0.42 C#C[C@H](C)N[C@@H](C)C(=O)O 5233f63c0002c430cca3b179eb79d34c [0,2,0,0,0,0|1,0,1]=4 1072 B9R0.42 C#C[C@H](C)N[C@H](C)C(=O)O 065298467453772e8016e2ed9f0c3100 [0,2,0,0,0,0|1,0,1]=4 1073 B9R0.42 C=C(C=O)OC(C)C(=O)O acc96197b7d26b479b4073261b8ee8d6 [0,2,0,0,0,0|1,0,1]=4 1074 B9R0.42 C=C(C=O)OC(F)C(=O)O 9a8c602d6f4a0b91019640bcd637d809 [0,2,0,0,0,0|1,0,1]=4 1075 B9R0.42 C=C(C=O)O[C@@H](C)C(=O)O 99acba9fe5e7c1206a676b1188c90ff5 [0,2,0,0,0,0|1,0,1]=4 1076 B9R0.42 C=C(C=O)O[C@@H](F)C(=O)O f18a034cde47ecb2610e5539d6d55c45 [0,2,0,0,0,0|1,0,1]=4 1077 B9R0.42 C=C(C=O)O[C@H](C)C(=O)O f9945c33703877b03c13b7d1b23190c5 [0,2,0,0,0,0|1,0,1]=4 1078 B9R0.42 C=CC(=O)NC(C)C(=O)N 5a6dfd1b85cf5ebbfbd3da6d842a1561 [0,2,0,0,0,0|1,0,1]=4 1079 B9R0.42 C=CC(=O)N[C@@H](C)C(=O)N 2828cbc97b3a1d116df951ab6d4384d2 [0,2,0,0,0,0|1,0,1]=4 1080 B9R0.42 C=CC(=O)N[C@H](C)C(=O)N bf24fc6bd112adb81686d0cebdb7454b [0,2,0,0,0,0|1,0,1]=4 1081 B9R0.42 C=CC(C)NC(C)C(=O)O a21c364ebf806c0b489514351780d545 [0,2,0,0,0,0|1,0,1]=4 1082 B9R0.42 C=CC(C)NC(F)C(=O)O 1eccd6464ff529fb4db555016f5871dd [0,2,0,0,0,0|1,0,1]=4 1083 B9R0.42 C=CC(C)NC(O)C(=O)O fa689c4ff06c77f4ca819c8817c7139e [0,2,0,0,0,0|1,0,1]=4 1084 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O e755310822c45c5c0e8f3967eb2f796d [0,2,0,0,0,0|1,0,1]=4 1085 B9R0.42 C=CC(C)N[C@@H](F)C(=O)O f8ccfdc02c2ecebd328c5bb049755359 [0,2,0,0,0,0|1,0,1]=4 1086 B9R0.42 C=CC(C)N[C@H](C)C(=O)O 531b54e5cb86764563ede07ae1e5c672 [0,2,0,0,0,0|1,0,1]=4 1087 B9R0.42 CC(=O)N(C)CC(C)CO 5fc6af892d019edb3818f568e4972714 [0,2,0,0,0,0|1,0,1]=4 1088 B9R0.42 CC(=O)N(C)CC(O)CO 6975cafe7cd4be2226b125bca515b0cd [0,2,0,0,0,0|0,0,2]=4 1089 B9R0.42 CC(C)N(C)CC(=O)CO 6595f8b0f8b51cb84971a2a59bde6152 [0,2,0,0,0,0|1,0,1]=4 1090 B9R0.42 CC(C=O)NC(C)C(=O)N 5d2af3333116df594f85bfc067dd45bc [0,2,0,0,0,0|1,0,1]=4 1091 B9R0.42 CC(C=O)NC(C)C(=O)O 20a60fbe7856cff95fc76d9ef94f22d5 [0,2,0,0,0,0|0,0,1]=3 1092 B9R0.42 CC(C=O)NC(O)C(=O)O db9c7b297edd7c7de73bc597b349df56 [0,2,0,0,0,0|0,0,1]=3 1093 B9R0.42 CC(C=O)N[C@@H](C)C(=O)N 4b99ebabca4b8a4b577865348fb2087d [0,2,0,0,0,0|1,0,1]=4 1094 B9R0.42 CC(C=O)N[C@@H](C)C(=O)O e3cf235a2693748060acfaea11b79b65 [0,2,0,0,0,0|0,0,1]=3 1095 B9R0.42 CC(C=O)N[C@H](C)C(=O)N 19d30aea420fefcadde75b54ecd7eedf [0,2,0,0,0,0|1,0,1]=4 1096 B9R0.42 CC(C=O)N[C@H](C)C(=O)O 4ec6dc5e3aa5c2a3e70c2c676d764736 [0,2,0,0,0,0|0,0,1]=3 1097 B9R0.42 CC(C=O)OC(C)C(=O)O 1537e851619ce413e13fe6f204bab7d7 [0,2,0,0,0,0|1,0,1]=4 1098 B9R0.42 CC(C=O)OC(F)C(=O)O f994657f138457ec1e0b60d238af711d [0,2,0,0,0,0|1,0,1]=4 1099 B9R0.42 CC(C=O)O[C@@H](C)C(=O)O 64b50251102d4c587bc3027a25de4825 [0,2,0,0,0,0|1,0,1]=4 1100 B9R0.42 CC(C=O)O[C@@H](F)C(=O)O 86d7cf316632b5c8d374ad2fb73649c7 [0,2,0,0,0,0|1,0,1]=4 1101 B9R0.42 CC(C=O)O[C@H](C)C(=O)O 83aac9083bf94631c394c772a6091201 [0,2,0,0,0,0|1,0,1]=4 1102 B9R0.42 CC(CO)NC(C)C(=O)O 1d595a98de4bcd09c95f2e6eaab4ebca [0,2,0,0,0,0|0,0,2]=4 1103 B9R0.42 CC(CO)NC(O)C(=O)O 918998900809a39405ab8709d56cf855 [0,2,0,0,0,0|0,0,2]=4 1104 B9R0.42 CC(CO)N[C@@H](C)C(=O)O 4dbd67747f4dcf229835960134b33163 [0,2,0,0,0,0|0,0,2]=4 1105 B9R0.42 CC(CO)N[C@H](C)C(=O)O b65e3f60883c33c0f95b5c867e27b54d [0,2,0,0,0,0|0,0,2]=4 1106 B9R0.42 CC(NC(=O)C=O)C(=O)N 7298083aef14a95a3916317e51038624 [0,2,0,0,0,0|1,0,1]=4 1107 B9R0.42 CC(NC(=O)CF)C(=O)N 70a62ef6a8f37d548a6870f6adbc60b2 [0,2,0,0,0,0|1,0,0]=3 1108 B9R0.42 CC(NC(=O)CO)C(=O)N 0deef77728c93d9b503dd339ada3e9ae [0,2,0,0,0,0|1,0,0]=3 1109 B9R0.42 CC(NC(=O)CS)C(=O)N 567a56c398abd5bc89bbed2edf0edb6f [0,2,0,0,0,0|1,0,0]=3 1110 B9R0.42 CC(N[C@@H](C)CO)C(=O)O 1b6b9227ad3ecc5bcb8670c40fef950c [0,2,0,0,0,0|0,0,2]=4 1111 B9R0.42 CC(N[C@H](C)C=O)C(=O)N 2f34c12a46c67ef0705a220c5d2d9c05 [0,2,0,0,0,0|1,0,1]=4 1112 B9R0.42 CC(N[C@H](C)C=O)C(=O)O 073008b09dd4daa46c3eee41b6f5a86b [0,2,0,0,0,0|0,0,1]=3 1113 B9R0.42 CC(N[C@H](C)CO)C(=O)O 33afd43b849fefaac96a7f0d49ca40de [0,2,0,0,0,0|0,0,2]=4 1114 B9R0.42 CC(O)C(C)NC(=O)CF 9c5dcb9b48c34fb4964de07572d5fc7f [0,2,0,0,0,0|1,0,1]=4 1115 B9R0.42 CC(O)C(C)NC(=O)CO d5563335988d4a9f490a061da0323609 [0,2,0,0,0,0|1,0,1]=4 1116 B9R0.42 CC(O)C(C)NC(=O)CS 794cfbf09911aae179370a569d71d72b [0,2,0,0,0,0|1,0,1]=4 1117 B9R0.42 CC(O[C@H](C)C=O)C(=O)O 812bd5a15fd54855877e7092dda0410f [0,2,0,0,0,0|1,0,1]=4 1118 B9R0.42 CCC(=O)NC(C)C(=O)N 042abc99edf45e1af3403af309d34222 [0,2,0,0,0,0|1,0,0]=3 1119 B9R0.42 CCC(=O)NC(C)C(C)O 623b49bea03f26529a52466f9af74562 [0,2,0,0,0,0|1,0,1]=4 1120 B9R0.42 CCC(=O)N[C@@H](C)C(=O)N df383087b3c3afadcb64f09befb28ec4 [0,2,0,0,0,0|1,0,0]=3 1121 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 9d0860b87819461019427c994bc33323 [0,2,0,0,0,0|1,0,0]=3 1122 B9R0.42 CCC(C)NC(C)C(=O)O 68a75686848679943d96baf18ea4cee6 [0,2,0,0,0,0|1,0,1]=4 1123 B9R0.42 CCC(C)NC(O)C(=O)O 9226770c00565a8ac46c992bcd3694a8 [0,2,0,0,0,0|1,0,1]=4 1124 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 2ecfa90d128261ce7b1c7103e35d9ce8 [0,2,0,0,0,0|1,0,1]=4 1125 B9R0.42 CCC(C)N[C@H](C)C(=O)O 40879e478dcbab889582ba97d8fc0492 [0,2,0,0,0,0|1,0,1]=4 1126 B9R0.42 CCC(O)CN(C)C(=O)C b30c381c1280fa6a5b3ffe9c3abb0590 [0,2,0,0,0,0|1,0,1]=4 1127 B9R0.42 CC[C@@H](C)NC(C)C(=O)O b10403595c42ff62f6fe5c7181982ab6 [0,2,0,0,0,0|1,0,1]=4 1128 B9R0.42 CC[C@@H](C)N[C@@H](C)C(=O)O 7da5357cd3fbd25609a74bf0c0d329bf [0,2,0,0,0,0|1,0,1]=4 1129 B9R0.42 CC[C@@H](C)N[C@H](C)C(=O)O 11638d0e7a79520c4b085e7a2df35de8 [0,2,0,0,0,0|1,0,1]=4 1130 B9R0.42 CC[C@H](C)NC(C)C(=O)O 826392e01ce3eb4af77b0b39d0fe978a [0,2,0,0,0,0|1,0,1]=4 1131 B9R0.42 CC[C@H](C)N[C@@H](C)C(=O)O 7ef37b4a0a1e068d8a9f2b6ad87edcbb [0,2,0,0,0,0|1,0,1]=4 1132 B9R0.42 CC[C@H](C)N[C@H](C)C(=O)O 22d220b0a815a9ac8aea710ad5f73c11 [0,2,0,0,0,0|1,0,1]=4 1133 B9R0.42 CNC(=O)CN(C)C(=O)C af85ae499f5e4093eb1658463fddb691 [0,2,0,0,0,0|1,0,0]=3 1134 B9R0.42 COC(=O)CN(C)C(=O)C dba6f619f41ce5364c69da2ce0a7a9a2 [0,2,0,0,0,0|0,0,0]=2 1135 B9R0.42 COC(=O)CN(C)C(C)C 2c82446aed6694c498b8b1d3cd1cfa29 [0,2,0,0,0,0|1,0,1]=4 1136 B9R0.42 C[C@@H](CO)NC(O)C(=O)O a6cb74e2b40c31da9f39edc27820ebf8 [0,2,0,0,0,0|0,0,2]=4 1137 B9R0.42 C[C@@H](CO)N[C@H](C)C(=O)O c1a428b0ddd139f9c2e2de1e99a8fc8a [0,2,0,0,0,0|0,0,2]=4 1138 B9R0.42 C[C@@H](NC(=O)C=O)C(=O)N 601d60420fa0bf91b1414050d90b432b [0,2,0,0,0,0|1,0,1]=4 1139 B9R0.42 C[C@@H](NC(=O)CF)C(=O)N 87a0a70b7b6f3029470eb628e1bd88c0 [0,2,0,0,0,0|1,0,0]=3 1140 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 52099f462414dc1313167c84b9383df1 [0,2,0,0,0,0|1,0,0]=3 1141 B9R0.42 C[C@@H](NC(=O)CS)C(=O)N 6fe78da56822f7a7bb4d250d2a1c44a8 [0,2,0,0,0,0|1,0,0]=3 1142 B9R0.42 C[C@H](C=O)NC(O)C(=O)O f9acfd7578d2efc6770d6eca05c7d778 [0,2,0,0,0,0|0,0,1]=3 1143 B9R0.42 C[C@H](C=O)N[C@@H](C)C(=O)N 2ac2eb8f2b8623512821cc25402cae52 [0,2,0,0,0,0|1,0,1]=4 1144 B9R0.42 C[C@H](C=O)N[C@@H](C)C(=O)O 939bc4c7aaa3ec6d4eb0542bf7f8b345 [0,2,0,0,0,0|0,0,1]=3 1145 B9R0.42 C[C@H](C=O)N[C@H](C)C(=O)N 0b35a24eacf18fad151aad527e190a10 [0,2,0,0,0,0|1,0,1]=4 1146 B9R0.42 C[C@H](C=O)N[C@H](C)C(=O)O cc7913b07882750d08c30e7582a0574f [0,2,0,0,0,0|0,0,1]=3 1147 B9R0.42 C[C@H](C=O)O[C@@H](C)C(=O)O b6f80b92b47a54815102fbd4899c5250 [0,2,0,0,0,0|1,0,1]=4 1148 B9R0.42 C[C@H](C=O)O[C@H](C)C(=O)O 44ced11a0975d80e393790a7eaccae4d [0,2,0,0,0,0|1,0,1]=4 1149 B9R0.42 C[C@H](CO)NC(O)C(=O)O 7ec955a21dba01cf6aa8cf71eef23a2e [0,2,0,0,0,0|0,0,2]=4 1150 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O ac2b35d6c7874b85744c21c2fc268b36 [0,2,0,0,0,0|0,0,2]=4 1151 B9R0.42 C[C@H](CO)N[C@H](C)C(=O)O 484a418c83723ee82ece2afa09d603dc [0,2,0,0,0,0|0,0,2]=4 1152 B9R0.42 C[C@H](NC(=O)C=O)C(=O)N 09c763bfad494733c517dcfef78730bd [0,2,0,0,0,0|1,0,1]=4 1153 B9R0.42 C[C@H](NC(=O)CF)C(=O)N 907c8225367de45c1cdec1e0444a83f7 [0,2,0,0,0,0|1,0,0]=3 1154 B9R0.42 C[C@H](NC(=O)CO)C(=O)N db14ce3cecb04de77f4460e8d86f6360 [0,2,0,0,0,0|1,0,0]=3 1155 B9R0.42 C[C@H](NC(=O)CS)C(=O)N ba2f0e0464a7d29639b2ae6d5dc6d3c4 [0,2,0,0,0,0|1,0,0]=3 1156 B9R0.42 C[C@H](N[C@@H](C)CO)C(=O)O 1cea0a2a31427ddf84ea4f4f502411f2 [0,2,0,0,0,0|0,0,2]=4 1157 B9R0.43 C=C[C@@H](CO)NCC(=O)O 8d053a06a2e2c444b01bd69fddfe73ff [0,2,0,0,0,0|1,0,1]=4 1158 B9R0.43 CC(=O)NCC(CO)CO 275c9e974a5537da3ca2a7e20c29fd1a [0,2,0,0,0,0|0,0,2]=4 1159 B9R0.43 CCC(C=O)NCC(=O)C e722b983dfd65925ee993463768d3a21 [0,2,0,0,0,0|1,0,1]=4 1160 B9R0.43 CCC(C=O)NCC(=O)N 26afc9988a3306c5f291107cd41975aa [0,2,0,0,0,0|1,0,1]=4 1161 B9R0.43 CCC(C=O)NCC(=O)O 2dff37ffe0c09807fcd641801f47306a [0,2,0,0,0,0|0,0,1]=3 1162 B9R0.43 CCC(C=O)OCC(=O)O 200ce9180f5aea00044ac6edcf54d531 [0,2,0,0,0,0|1,0,1]=4 1163 B9R0.43 CCC(CC)NCC(=O)O 995cd6a8146da731115d097551736d02 [0,2,0,0,0,0|1,0,1]=4 1164 B9R0.43 CCC(CO)CNC(=O)C f06f2cec7d1e6e4c1c3bbf6f6411b3ed [0,2,0,0,0,0|1,0,1]=4 1165 B9R0.43 CCC(CO)NCC(=O)O 586189b2332a32af4757091d48666a8a [0,2,0,0,0,0|0,0,2]=4 1166 B9R0.43 CC[C@@H](CO)NCC(=O)O ca5de122a401b27aebff33f963871c41 [0,2,0,0,0,0|0,0,2]=4 1167 B9R0.43 CC[C@H](CO)NCC(=O)O e8d663c48b3ee956fc556faee09136e0 [0,2,0,0,0,0|0,0,2]=4 1168 B9R0.43 COC(CNC(=O)C)OC 7667afb1129bf19fdd7549c6df961d11 [0,2,0,0,0,0|0,0,2]=4 1169 B9R0.43 CO[C@@H](CO)CNC(=O)C 595c34503ab75b4f13d4a0f790389747 [0,2,0,0,0,0|0,0,2]=4 1170 B9R0.43 N#CC(C=O)NCC(=O)O 483d45e9ac9d5412facd55ad2eded545 [0,2,0,0,0,0|0,0,2]=4 1171 B9R0.43 O=C(O)CNC(CO)CO a2139af8eda74af59c3bc12727e73261 [0,2,0,0,0,0|0,0,2]=4 1172 B9R0.43 O=CC(C=O)NCC(=O)O d01f51f1800d469392bac1b5f96187bf [0,2,0,0,0,0|0,0,2]=4 1173 B9R0.48 C#CCC(=O)NCC(=C)Br 6118ac11124a1ec3b68c2cb3f49f1f46 [0,2,0,0,0,0|2,0,0]=4 1174 B9R0.48 C#CCC(=O)NCC(=C)C 4d3123bd80c948f1e699f4460255562e [0,2,0,0,0,0|2,0,0]=4 1175 B9R0.48 C#CCC(=O)NCC(=O)C 23a1802c7cb2157e457286c2b3f83cab [0,2,0,0,0,0|1,0,0]=3 1176 B9R0.48 C#CCC(=O)NCC(=O)N 678d65725adf02fe19c37a26508ddac6 [0,2,0,0,0,0|1,0,0]=3 1177 B9R0.48 C#CCC(=O)NCC(C)O e4b92dd8ec4a2ea3419e96741c622d11 [0,2,0,0,0,0|1,0,1]=4 1178 B9R0.48 C#CCC(=O)NC[C@@H](C)O 4956d546c295c50758b3a58d5711622b [0,2,0,0,0,0|1,0,1]=4 1179 B9R0.48 C#CCC(=O)NC[C@H](C)O 834f79889b6409b7dbe427008ad6af8b [0,2,0,0,0,0|1,0,1]=4 1180 B9R0.48 C/C=C/C(=O)NCC(=O)C 4bd41d84ba8243cdd2ab45f2a8dbcd77 [0,2,0,0,0,0|1,0,0]=3 1181 B9R0.48 C/C=C/C(=O)NCC(=O)N 2b1cf945c4501bf02a4c304c04c1c271 [0,2,0,0,0,0|1,0,0]=3 1182 B9R0.48 C/C=C/C(=O)NCC(C)O 84d58663dfcd51e89334984dcff75861 [0,2,0,0,0,0|1,0,1]=4 1183 B9R0.48 C/C=C/C(=O)NC[C@@H](C)O 9aeb50ae76bfc4c4a42110aaf18e91db [0,2,0,0,0,0|1,0,1]=4 1184 B9R0.48 C/C=C/C(=O)NC[C@H](C)O b2d28f4f0d59c4da44ac49efcb09e2c5 [0,2,0,0,0,0|1,0,1]=4 1185 B9R0.48 C=C(Br)CNC(=O)/C=C/C f51437b88ae9ffa077f0426028863820 [0,2,0,0,0,0|2,0,0]=4 1186 B9R0.48 C=C(Br)CNC(=O)C#CC 0a2bc0ef37c44773805dc81dc7ae9214 [0,2,0,0,0,0|2,0,0]=4 1187 B9R0.48 C=C(Br)CNC(=O)CC#N f168e84bf9369593d5eaf0099ae5c7cf [0,2,0,0,0,0|2,0,0]=4 1188 B9R0.48 C=C(Br)CNC(=O)CC=O a461cc95ebc1aa0174bd8e70e8292c4c [0,2,0,0,0,0|2,0,0]=4 1189 B9R0.48 C=C(Br)CNC(=O)CCC 5e61ef8e805b62239237c84d1dc5b668 [0,2,0,0,0,0|2,0,0]=4 1190 B9R0.48 C=C(Br)CNC(=O)CCF 38eead95d362ed5d2a09360b7fa93d40 [0,2,0,0,0,0|2,0,0]=4 1191 B9R0.48 C=C(Br)CNC(=O)CCO 7a7a012cc08b9ff98b1954b92832113d [0,2,0,0,0,0|2,0,0]=4 1192 B9R0.48 C=C(Br)CNC(=O)CCS 2321c60853075bfbdcbc4138ab335c39 [0,2,0,0,0,0|2,0,0]=4 1193 B9R0.48 C=C(Br)CNC(=O)COC 28041130d93501c7a23524b32a42fbc1 [0,2,0,0,0,0|2,0,0]=4 1194 B9R0.48 C=C(Br)CNC(=O)CON 4f64805ef260bd223e8d6d3cff5f8642 [0,2,0,0,0,0|2,0,0]=4 1195 B9R0.48 C=C(Br)CNC(=O)CSC 64143cc55f53c32f9f2c2e18a3368770 [0,2,0,0,0,0|2,0,0]=4 1196 B9R0.48 C=C(C)CNC(=O)/C=C/C bd982447f1bfe039311725755b0f0530 [0,2,0,0,0,0|2,0,0]=4 1197 B9R0.48 C=C(C)CNC(=O)C#CC 091ce237a473ef5f18b7d25ed1a31251 [0,2,0,0,0,0|2,0,0]=4 1198 B9R0.48 C=C(C)CNC(=O)CC#N 87976bb6758a6497562ea20560a581b6 [0,2,0,0,0,0|2,0,0]=4 1199 B9R0.48 C=C(C)CNC(=O)CC=O 2260bd02be30d614a5fe31155c5d85b6 [0,2,0,0,0,0|2,0,0]=4 1200 B9R0.48 C=C(C)CNC(=O)CCC 8798d18f5f118779f2ebf2a6aa1a07ee [0,2,0,0,0,0|2,0,0]=4 1201 B9R0.48 C=C(C)CNC(=O)CCF ec665802680d6b25560c54acdcf62fa6 [0,2,0,0,0,0|2,0,0]=4 1202 B9R0.48 C=C(C)CNC(=O)CCO f295b4fbed4d568ea85b27435f4a1a1d [0,2,0,0,0,0|2,0,0]=4 1203 B9R0.48 C=C(C)CNC(=O)CCS e9f32c43961494929643f230d1dd3313 [0,2,0,0,0,0|2,0,0]=4 1204 B9R0.48 C=C(C)CNC(=O)COC 7927f533b7fcfd491d5570cbc592dd9d [0,2,0,0,0,0|2,0,0]=4 1205 B9R0.48 C=C(C)CNC(=O)CON 16dcd7390417cfd0007443d2a0a59d6d [0,2,0,0,0,0|2,0,0]=4 1206 B9R0.48 C=C(C)CNC(=O)CSC 58b38ca9cfe4a38f6806b4236cf0dbfc [0,2,0,0,0,0|2,0,0]=4 1207 B9R0.48 C=CCC(=O)NCC(=C)Br 95efadc032ffd944ff8df6da3ce800ec [0,2,0,0,0,0|2,0,0]=4 1208 B9R0.48 C=CCC(=O)NCC(=C)C 00d4ee89d6f4eff2bce9f6285304b371 [0,2,0,0,0,0|2,0,0]=4 1209 B9R0.48 C=CCC(=O)NCC(=O)C 73d54f600bcb2bce8dfc5ef29c15314c [0,2,0,0,0,0|1,0,0]=3 1210 B9R0.48 C=CCC(=O)NCC(=O)N 8bcac2ecc63e375c5cbfbdce478f3303 [0,2,0,0,0,0|1,0,0]=3 1211 B9R0.48 C=CCC(=O)NCC(C)O 3c6e2c92365447c2f83b9c4bb7fba462 [0,2,0,0,0,0|1,0,1]=4 1212 B9R0.48 C=CCC(=O)NC[C@@H](C)O 26d1fd5192fb99a451d801ac6e561159 [0,2,0,0,0,0|1,0,1]=4 1213 B9R0.48 C=CCC(=O)NC[C@H](C)O f29d274ad3d095c6edc7ae1decc25746 [0,2,0,0,0,0|1,0,1]=4 1214 B9R0.48 C=CCC(O)CNC(=O)C 044a2180840b1053ceaf99d23733edb1 [0,2,0,0,0,0|1,0,1]=4 1215 B9R0.48 CC#CC(=O)NCC(=O)C 8465ef58e9a985ae13b543ed1f33d421 [0,2,0,0,0,0|1,0,0]=3 1216 B9R0.48 CC#CC(=O)NCC(=O)N ad4b92d619b6c5f6fc8abbf5bd191a00 [0,2,0,0,0,0|1,0,0]=3 1217 B9R0.48 CC#CC(=O)NCC(C)O 08396b338fa81d2710bc06b780706cfb [0,2,0,0,0,0|1,0,1]=4 1218 B9R0.48 CC#CC(=O)NC[C@@H](C)O 81993fd71b1ea6d85cbb765ac9d7f8de [0,2,0,0,0,0|1,0,1]=4 1219 B9R0.48 CC#CC(=O)NC[C@H](C)O 77b6d6e181c6d0cd66b00bc3518561d8 [0,2,0,0,0,0|1,0,1]=4 1220 B9R0.48 CC(=O)CCC(=O)NC#N 92c8aded7ee1913cc10fd041c876920e [0,2,0,0,0,0|2,0,0]=4 1221 B9R0.48 CC(=O)CNC(=O)/C=C/Br f4c1832564f3bb85cfb9e9a78fe25a3d [0,2,0,0,0,0|1,0,1]=4 1222 B9R0.48 CC(=O)CNC(=O)/C=C/Cl 16c471ce163d53ad86d21ba961f938a8 [0,2,0,0,0,0|1,0,1]=4 1223 B9R0.48 CC(=O)CNC(=O)/C=C/I 8dec2a8bd7e13e443907c6b73972e6f7 [0,2,0,0,0,0|1,0,1]=4 1224 B9R0.48 CC(=O)CNC(=O)/C=C\Br e7e51b94d3d6a934fff609f53469bac6 [0,2,0,0,0,0|1,0,1]=4 1225 B9R0.48 CC(=O)CNC(=O)/C=C\Cl 4185fa46ea813a53328eba1d2f60b821 [0,2,0,0,0,0|1,0,1]=4 1226 B9R0.48 CC(=O)CNC(=O)/C=C\I a7efee952bb5bec791cad965a8ca812b [0,2,0,0,0,0|1,0,1]=4 1227 B9R0.48 CC(=O)CNC(=O)C#CBr efb8787cbc452f6b8b5838d363140cac [0,2,0,0,0,0|1,0,1]=4 1228 B9R0.48 CC(=O)CNC(=O)C=CBr 24bb3fdcb9e9ee006f54ebf341140e61 [0,2,0,0,0,0|1,0,1]=4 1229 B9R0.48 CC(=O)CNC(=O)C=CI 23827a10c9457e965572ffbacb9375d4 [0,2,0,0,0,0|1,0,1]=4 1230 B9R0.48 CC(=O)CNC(=O)CC#N bb787536dca20f916369649b570114f7 [0,2,0,0,0,0|1,0,0]=3 1231 B9R0.48 CC(=O)CNC(=O)CC=O 1f4a336afd3cc4154eeb8c2f496489ab [0,2,0,0,0,0|1,0,0]=3 1232 B9R0.48 CC(=O)CNC(=O)CCF d107193ce657c88df2652ef9baeb288c [0,2,0,0,0,0|1,0,0]=3 1233 B9R0.48 CC(=O)CNC(=O)CCO c299cd7b6e99612f6d546a77c82b470b [0,2,0,0,0,0|1,0,0]=3 1234 B9R0.48 CC(=O)CNC(=O)CCS 57b6b0d2d091bf19026d70091c345536 [0,2,0,0,0,0|1,0,0]=3 1235 B9R0.48 CC(=O)CNC(=O)CON bc03b85063fc3b8e6a29023141d681b7 [0,2,0,0,0,0|1,0,0]=3 1236 B9R0.48 CC(=O)CNC(=O)NC#N 412ed6d1577a58edaad16939bcbe3749 [0,2,0,0,0,0|1,0,1]=4 1237 B9R0.48 CC(=O)NCC(=O)NC#N 04a5a65186f77a7dffb48bc6eccfeaea [0,2,0,0,0,0|1,0,0]=3 1238 B9R0.48 CC(=O)NCC(C)CCO e9136906ce0994bcda960f696063f2a9 [0,2,0,0,0,0|1,0,1]=4 1239 B9R0.48 CC(=O)NCC(C)OCF b0f4bcee091e9ec82fc9f31c12a11230 [0,2,0,0,0,0|1,0,1]=4 1240 B9R0.48 CC(=O)OCC(=O)NC#N 7e7d0e1063f4093656130b7e5efcdae9 [0,2,0,0,0,0|2,0,0]=4 1241 B9R0.48 CC(=O)SCC(=O)NC#N 29e9a9d9aabde2355ad9ba71431a325b [0,2,0,0,0,0|2,0,0]=4 1242 B9R0.48 CC(=S)NCC(=O)NC#N 3235c1071722a2ca1685ca3dea34e20f [0,2,0,0,0,0|1,1,0]=4 1243 B9R0.48 CC(CC#N)NCC(=O)O 69fba03fb5560f26359cbab13b359b1e [0,2,0,0,0,0|1,0,1]=4 1244 B9R0.48 CC(CCO)NCC(=O)O facbaef0695b9d4fe56ffc8af771a40f [0,2,0,0,0,0|0,0,2]=4 1245 B9R0.48 CC(O)CNC(=O)CC#N d284fcf76aef499fed6238b0ba856855 [0,2,0,0,0,0|1,0,1]=4 1246 B9R0.48 CC(O)CNC(=O)CC=O 2832d8a2889a2f2765c4660c7c8bf242 [0,2,0,0,0,0|1,0,1]=4 1247 B9R0.48 CC(O)CNC(=O)CCF 7757526ea6f90212ff828df92a81524c [0,2,0,0,0,0|1,0,1]=4 1248 B9R0.48 CC(O)CNC(=O)CCO b1635c07c3f511f2b77001a38f892231 [0,2,0,0,0,0|1,0,1]=4 1249 B9R0.48 CC(O)CNC(=O)CCS dab7482190fb8fba11ac4545e829c43e [0,2,0,0,0,0|1,0,1]=4 1250 B9R0.48 CC(O)CNC(=O)CON 3415bf552db504cda97c64af89285005 [0,2,0,0,0,0|1,0,1]=4 1251 B9R0.48 CCCC(=O)NCC(=O)C 2da9b0181737be2a6f0a306a2b6bdda4 [0,2,0,0,0,0|1,0,0]=3 1252 B9R0.48 CCCC(=O)NCC(=O)N 5610a82535abef121600219256c9e7bf [0,2,0,0,0,0|1,0,0]=3 1253 B9R0.48 CCCC(=O)NCC(C)O ba53379307f7ae08a2b5b3adca0ac823 [0,2,0,0,0,0|1,0,1]=4 1254 B9R0.48 CCCC(=O)NC[C@@H](C)O 2eea508114803a331a902914666075a1 [0,2,0,0,0,0|1,0,1]=4 1255 B9R0.48 CCCC(=O)NC[C@H](C)O b4f7691f264345400cd9717008b17039 [0,2,0,0,0,0|1,0,1]=4 1256 B9R0.48 CCCC(=S)OCC(=O)O 1c62169da41f2cb2acdc293fd6559f2d [0,2,0,0,0,0|1,1,0]=4 1257 B9R0.48 CCCC(C)NCC(=O)O cc1e9c4996e6fef62cc1269e902e2107 [0,2,0,0,0,0|1,0,1]=4 1258 B9R0.48 CCCC(O)CNC(=O)C 5b570a4d674c9d38425ae4777e887a42 [0,2,0,0,0,0|1,0,1]=4 1259 B9R0.48 CCC[C@H](C)NCC(=O)O e4aa324610e7a29c03d24a187e7b9bea [0,2,0,0,0,0|1,0,1]=4 1260 B9R0.48 CCNC(=O)CNC(=O)C 57792c8153adb6e80259374ddd295748 [0,2,0,0,0,0|1,0,0]=3 1261 B9R0.48 CCOC(=O)CNC(=O)C eefea8b66cbae53eb0645dbc6dff51ca [0,2,0,0,0,0|0,0,0]=2 1262 B9R0.48 CCOC(=O)CNC(C)C 80d7999aed865ea280b457aaf3d32f53 [0,2,0,0,0,0|1,0,1]=4 1263 B9R0.48 CCOC(C)CNC(=O)C 217fca33332c664f1a507b96c62f402a [0,2,0,0,0,0|1,0,1]=4 1264 B9R0.48 CN(CC=O)CCC(=O)O c2208c5f20eb019e9eb30d465cfc143b [0,2,0,0,0,0|2,0,0]=4 1265 B9R0.48 COCC(=O)NCC(=O)C 9366c1fb376d52d38cd3913860d123e1 [0,2,0,0,0,0|1,0,0]=3 1266 B9R0.48 COCC(=O)NCC(=O)N 5cc19da597d28cd2bc7d7df00c52121b [0,2,0,0,0,0|1,0,0]=3 1267 B9R0.48 COCC(=O)NCC(C)O f8b1886d725f96091277fd4292d75f7c [0,2,0,0,0,0|1,0,1]=4 1268 B9R0.48 COCC(=O)NC[C@@H](C)O 38cd21dd85798a5a788972e72e7b27b4 [0,2,0,0,0,0|1,0,1]=4 1269 B9R0.48 COCC(=O)NC[C@H](C)O 7b1079842e2b577308d40cc0f954db1a [0,2,0,0,0,0|1,0,1]=4 1270 B9R0.48 COCC(C)NCC(=O)O e01666d87959623998976d0fafabe1b4 [0,2,0,0,0,0|0,0,2]=4 1271 B9R0.48 COCC(O)CNC(=O)C b9e4b5e9625177a365a4bdbe35bd87be [0,2,0,0,0,0|0,0,2]=4 1272 B9R0.48 COC[C@@H](C)NCC(=O)O e8166a8a6f9778cdf58111f239ebd7ae [0,2,0,0,0,0|0,0,2]=4 1273 B9R0.48 COC[C@@H](O)CNC(=O)C 77bae3eb71a3b0890035e84a8c0ee4ab [0,2,0,0,0,0|0,0,2]=4 1274 B9R0.48 COC[C@H](C)NCC(=O)O 6115e49dc0a4f10f9f15c2b7faed79c6 [0,2,0,0,0,0|0,0,2]=4 1275 B9R0.48 CSCC(=O)NCC(=O)C 7b8c1ea6125df084feb9a28e679bf8c5 [0,2,0,0,0,0|1,0,0]=3 1276 B9R0.48 CSCC(=O)NCC(=O)N 77b41fe33a5d4e16602364fcd119e4e5 [0,2,0,0,0,0|1,0,0]=3 1277 B9R0.48 CSCC(=O)NCC(C)O 5ddd4615c40d13f813df67061386bd0f [0,2,0,0,0,0|1,0,1]=4 1278 B9R0.48 CSCC(=O)NC[C@@H](C)O 59b3f010bc95e38c2da99c17ace4d5e4 [0,2,0,0,0,0|1,0,1]=4 1279 B9R0.48 CSCC(=O)NC[C@H](C)O 00ee44d7d8459039c0f9f6a7fae87b9b [0,2,0,0,0,0|1,0,1]=4 1280 B9R0.48 C[C@@H](CCO)NCC(=O)O e3de9f2ceaa95fe96caa8265de6dee4c [0,2,0,0,0,0|0,0,2]=4 1281 B9R0.48 C[C@@H](O)CNC(=O)CC#N 486943ba02672b5021732856505c8f72 [0,2,0,0,0,0|1,0,1]=4 1282 B9R0.48 C[C@@H](O)CNC(=O)CC=O c5f8a8990dc2527544f5e767dc2c8777 [0,2,0,0,0,0|1,0,1]=4 1283 B9R0.48 C[C@@H](O)CNC(=O)CCF 2b7488dccbe633938ac10d081588a52a [0,2,0,0,0,0|1,0,1]=4 1284 B9R0.48 C[C@@H](O)CNC(=O)CCO 01b1ffada3c2f0f23e1dce4445c2104f [0,2,0,0,0,0|1,0,1]=4 1285 B9R0.48 C[C@@H](O)CNC(=O)CCS 211c2eb3fab7240e8f12677b13139a27 [0,2,0,0,0,0|1,0,1]=4 1286 B9R0.48 C[C@@H](O)CNC(=O)CON f5ec3fc22d37acd9bf069c48805bf134 [0,2,0,0,0,0|1,0,1]=4 1287 B9R0.48 C[C@H](CCO)NCC(=O)O a393ad11daa1ce12621ddeee9e978586 [0,2,0,0,0,0|0,0,2]=4 1288 B9R0.48 C[C@H](O)CNC(=O)CC#N 3c40d3a8057234f21d69a9277ff9d982 [0,2,0,0,0,0|1,0,1]=4 1289 B9R0.48 C[C@H](O)CNC(=O)CC=O 1ab59436021f4f0592cd45d38553884d [0,2,0,0,0,0|1,0,1]=4 1290 B9R0.48 C[C@H](O)CNC(=O)CCF d3bafacfa081196fcd8a7ab00ec7ca7e [0,2,0,0,0,0|1,0,1]=4 1291 B9R0.48 C[C@H](O)CNC(=O)CCO e03a4db8a40c5ae1a7bd3001f9c12be5 [0,2,0,0,0,0|1,0,1]=4 1292 B9R0.48 C[C@H](O)CNC(=O)CCS 1ae07cce24e7953421707524a017a693 [0,2,0,0,0,0|1,0,1]=4 1293 B9R0.48 C[C@H](O)CNC(=O)CON f46f017a1a67995cd7349a1188dff278 [0,2,0,0,0,0|1,0,1]=4 1294 B9R0.48 N#CCC(=O)NCC(=O)N e7b25fd3c688ad0241ab4ae212d43509 [0,2,0,0,0,0|1,0,0]=3 1295 B9R0.48 N#CNC(=O)CNC(=O)N 3eb3f1123b94f08ba475d4265f950439 [0,2,0,0,0,0|2,0,0]=4 1296 B9R0.48 N#CNC(=O)NCC(=O)N ff9dc02383d67420eeacc96b28040199 [0,2,0,0,0,0|1,0,1]=4 1297 B9R0.48 N#CNC(=O)NCC(=O)O 4301507cbd7a15f9548e695315989cad [0,2,0,0,0,0|0,0,1]=3 1298 B9R0.48 N#CNC(=S)NCC(=O)O 4ef7c7172d9a0d3af6972894e3c25cd6 [0,2,0,0,0,0|0,1,1]=4 1299 B9R0.48 NC(=O)CNC(=O)/C=C/Br ead2dfba22554db29392513ad24ec657 [0,2,0,0,0,0|1,0,1]=4 1300 B9R0.48 NC(=O)CNC(=O)/C=C/Cl cf6fec49baee3fb03e47e63039182f24 [0,2,0,0,0,0|1,0,1]=4 1301 B9R0.48 NC(=O)CNC(=O)/C=C/I ff3affeff94c88cab04867ecef8c8d14 [0,2,0,0,0,0|1,0,1]=4 1302 B9R0.48 NC(=O)CNC(=O)/C=C\Br ee142a2fac68064e2197f971f81e7a99 [0,2,0,0,0,0|1,0,1]=4 1303 B9R0.48 NC(=O)CNC(=O)/C=C\Cl 9006f997c5d4d9e3092ce396c55a0696 [0,2,0,0,0,0|1,0,1]=4 1304 B9R0.48 NC(=O)CNC(=O)/C=C\I 1e3d949a633c4089c52d453c8b1e1224 [0,2,0,0,0,0|1,0,1]=4 1305 B9R0.48 NC(=O)CNC(=O)C#CBr e9d184669dab5df2d16381f88fd4a0af [0,2,0,0,0,0|1,0,1]=4 1306 B9R0.48 NC(=O)CNC(=O)C=CBr a18e4424e20db83fe8532bdcc4749c71 [0,2,0,0,0,0|1,0,1]=4 1307 B9R0.48 NC(=O)CNC(=O)C=CI 1796e8fbf98206192d6587176c338311 [0,2,0,0,0,0|1,0,1]=4 1308 B9R0.48 NC(=O)CNC(=O)CC=O ad6a9580024d95dfe711d1d360ef3512 [0,2,0,0,0,0|1,0,0]=3 1309 B9R0.48 NC(=O)CNC(=O)CCF 2c39fb3b37725030134b2457d79fa36d [0,2,0,0,0,0|1,0,0]=3 1310 B9R0.48 NC(=O)CNC(=O)CCO e2cc3d05dd0d8a3f598fbe646a9bd246 [0,2,0,0,0,0|1,0,0]=3 1311 B9R0.48 NC(=O)CNC(=O)CCS bcaf0389aa332cf3b05d7dab40146212 [0,2,0,0,0,0|1,0,0]=3 1312 B9R0.48 NOCC(=O)NCC(=O)N d435b35534d521e10d97d672c14cda8d [0,2,0,0,0,0|1,0,0]=3 1313 B9R0.64 C#CC(C)(C)NCC(=O)O a17f9a3492f5da153c2e8b46081a49f7 [0,2,0,0,0,0|1,0,1]=4 1314 B9R0.64 CC(=O)NCC(C)(C)CO 3ef564fa58488a3437688fe1a969e512 [0,2,0,0,0,0|1,0,1]=4 1315 B9R0.64 CC(=O)NCC(F)(F)CO 0da4a2218b2af8a69868406d3f7ec7fb [0,2,0,0,0,0|1,0,1]=4 1316 B9R0.64 CC(C)(C#N)NCC(=O)O ec201b0188121fc090c779c46e768348 [0,2,0,0,0,0|1,0,1]=4 1317 B9R0.64 CC(C)(CF)NCC(=O)O 1a4e72b512223df8d349776ccef40e80 [0,2,0,0,0,0|1,0,1]=4 1318 B9R0.64 CC(C)(CO)NCC(=O)O 67fe174ec0e1fc280c3085d51bb29881 [0,2,0,0,0,0|0,0,2]=4 1319 B9R0.64 CCC(C)(O)CNC(=O)C 5cdbea673ddb6eaec5c42e286f6da6ff [0,2,0,0,0,0|1,0,1]=4 1320 B9R0.64 COC(C)(C)CNC(=O)C 498dba83dc84f6d723d23e0aba6bb8a0 [0,2,0,0,0,0|1,0,1]=4 1321 B9R0.10 CC(=O)NC(C)C(C)(C)O d96104c7cf3d8380347ad859afbe482b [0,2,0,0,0,0|1,0,1]=4 1322 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 1111eec15fbbb43cec42d2e095e2a297 [0,2,0,0,0,0|1,0,1]=4 1323 B9R0.10 CC(=O)N[C@H](C)C(C)(C)O cd35a2da994d3179ff856be18c18fa92 [0,2,0,0,0,0|1,0,1]=4 1324 B9R0.10 CN(CC(=O)O)C(C)(C)C c7cbcdbd59bc98528a6d52b866d8c1bd [0,2,0,0,0,0|1,0,1]=4 1325 B9R0.11 CC(=O)NC(C)(C)C(=O)C 865bdd400cec05e2da524a7b54388fb7 [0,2,0,0,0,0|1,0,0]=3 1326 B9R0.11 CC(=O)NC(C)(C)C(=O)N 25fe48aac8e8f9872ca7ebd0e70ba86a [0,2,0,0,0,0|1,0,0]=3 1327 B9R0.11 CC(=O)NC(C)(C)C(C)O 6329b1c8dd9e1addeff362c5cd7e7be8 [0,2,0,0,0,0|1,0,1]=4 1328 B9R0.11 CC(C)NC(C)(C)C(=O)O b6f14c368a38dd46f79213d90692b45e [0,2,0,0,0,0|1,0,1]=4 1329 B9R0.39 C=C(C)CN(CC)C(=O)C 83504d889a93d24ce961ed88971a03bc [0,2,0,0,0,0|2,0,0]=4 1330 B9R0.39 C=CC(NC(C)C)C(=O)O 3ba3ee308a335e4378d11bd8ab8d3907 [0,2,0,0,0,0|1,0,1]=4 1331 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 46c59b96562536fd12a7228d23ca4eb1 [0,2,0,0,0,0|1,0,1]=4 1332 B9R0.39 CC(=O)NC(C#N)C(=O)N 247e5e2d374395b6bd8d03db0be531f4 [0,2,0,0,0,0|1,0,0]=3 1333 B9R0.39 CC(=O)NC(CO)C(=O)N b1be17e2cc3eec340c1a5e7bfe0b60fc [0,2,0,0,0,0|1,0,0]=3 1334 B9R0.39 CC(=O)NC(CO)C(C)O fbbab85f0e12ad8394f7af438c3ef002 [0,2,0,0,0,0|1,0,1]=4 1335 B9R0.39 CC(=O)N[C@@H](CO)C(=O)N 9013b5089d8bde9709af251a0f900641 [0,2,0,0,0,0|1,0,0]=3 1336 B9R0.39 CC(=O)N[C@@H](CO)[C@@H](C)O 50c6d8c6e22256f12d0b6b01bbbd3c4d [0,2,0,0,0,0|1,0,1]=4 1337 B9R0.39 CC(=O)N[C@@H](CO)[C@H](C)O f877126fbf1035a6fdb7452946ded67a [0,2,0,0,0,0|1,0,1]=4 1338 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O 9cce28155d60826295d78c62984f128a [0,2,0,0,0,0|1,0,1]=4 1339 B9R0.39 CC(=O)N[C@H](CO)[C@H](C)O 168538a28f02bcb2a950f8d7465bfbeb [0,2,0,0,0,0|1,0,1]=4 1340 B9R0.39 CC(C)N(CF)CC(=O)O fbcfb98f04e11cc85da91bf250fbdda7 [0,2,0,0,0,0|1,0,1]=4 1341 B9R0.39 CC(C)N(CO)CC(=O)O e1dd4cae1a1fde80fd16a2a4a1b81f5e [0,2,0,0,0,0|1,0,1]=4 1342 B9R0.39 CC(C)NC(CCl)C(=O)O 1d090088e0aaa37c9b514c387755de07 [0,2,0,0,0,0|1,0,1]=4 1343 B9R0.39 CC(C)NC(CF)C(=O)O 8b21fa6f54b141f4b6af18b3b4ffefaa [0,2,0,0,0,0|1,0,1]=4 1344 B9R0.39 CC(C)NC(CO)C(=O)O 85ee10fb3bac59316ce1e6039cfeb147 [0,2,0,0,0,0|1,0,1]=4 1345 B9R0.39 CC(C)NC(CS)C(=O)O b57c23a7d3e57d92473dea61f76a2672 [0,2,0,0,0,0|1,0,1]=4 1346 B9R0.39 CC(C)N[C@@H](CCl)C(=O)O fa611d0eed26ab34111eaa7cef381b27 [0,2,0,0,0,0|1,0,1]=4 1347 B9R0.39 CC(C)N[C@@H](CO)C(=O)O 8ae958defe682519febcc0d02a27c749 [0,2,0,0,0,0|1,0,1]=4 1348 B9R0.39 CC(C)N[C@@H](CS)C(=O)O 119dfa838d7ff3de760652ba7e666146 [0,2,0,0,0,0|1,0,1]=4 1349 B9R0.39 CC(C)N[C@H](CCl)C(=O)O 4c423d085885a287396db55e021a67f5 [0,2,0,0,0,0|1,0,1]=4 1350 B9R0.39 CC(C)N[C@H](CO)C(=O)O f97c39ed7b4137999e81b90006e7bfe4 [0,2,0,0,0,0|1,0,1]=4 1351 B9R0.39 CC(C)N[C@H](CS)C(=O)O a1a62cb98dbd812d6c6c17f2766c44c4 [0,2,0,0,0,0|1,0,1]=4 1352 B9R0.39 CCC(NC(=O)C)C(=O)N ced64f62e518b676f2ab6392de3182cf [0,2,0,0,0,0|1,0,0]=3 1353 B9R0.39 CCC(NC(C)C)C(=O)O d1e2ab254f28f635f62d6836cb2971ca [0,2,0,0,0,0|1,0,1]=4 1354 B9R0.39 CCN(CC(=O)O)C(C)C 493d0b65e3adcfa496122a54c1201266 [0,2,0,0,0,0|1,0,1]=4 1355 B9R0.39 CCN(CC(C)O)C(=O)C 277afb1450bd63b784532903e9ac21b6 [0,2,0,0,0,0|1,0,1]=4 1356 B9R0.39 CCN(C[C@H](C)O)C(=O)C bad726abafa164d2249e92029a2e2c34 [0,2,0,0,0,0|1,0,1]=4 1357 B9R0.39 CC[C@@H](NC(=O)C)[C@@H](C)O 921739c4a8a492f7cfef35d0bff38d7e [0,2,0,0,0,0|1,0,1]=4 1358 B9R0.39 CC[C@@H](NC(=O)C)[C@H](C)O 201113a7b2ad8782f3c591af74095c66 [0,2,0,0,0,0|1,0,1]=4 1359 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 74f2971df7036370e0da2bb233c67656 [0,2,0,0,0,0|1,0,1]=4 1360 B9R0.39 CC[C@H](NC(=O)C)C(=O)N 50b31a3ccc5975b35fc105a566b31dfa [0,2,0,0,0,0|1,0,0]=3 1361 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 7ad059423e88b28831a5095f24ca1743 [0,2,0,0,0,0|1,0,1]=4 1362 B9R0.39 CC[C@H](NC(C)C)C(=O)O 1465e55476e138472b94d4661e4437b0 [0,2,0,0,0,0|1,0,1]=4 1363 B9R0.57 CC(=O)N(C)CC(C)(C)O a29fce17a73d3d46a44a5986b0cadbdf [0,2,0,0,0,0|1,0,1]=4 1364 B9R0.57 CC(=O)N(C)CS(=O)(=O)S 446f48ceed80359d4004e22c77b58275 [0,2,0,0,0,0|1,0,1]=4 1365 B9R0.57 CC(C)(C)NC(F)C(=O)O caafb65aea0d94bbf30a2c8126339649 [0,2,0,0,0,0|1,0,1]=4 1366 B9R0.57 CC(C)(C)N[C@@H](F)C(=O)O dd857def7675bf92d846e473c3b96153 [0,2,0,0,0,0|1,0,1]=4 1367 B9R0.79 CC(=O)N(C)C(C)C(=O)N 394cd33031d6b14656e9699154728fb2 [0,2,0,0,0,0|1,0,0]=3 1368 B9R0.79 CC(=O)N(C)C(C)C(=S)N 044a32e6988061b5d7be5813f26eeb62 [0,2,0,0,0,0|1,1,0]=4 1369 B9R0.79 CC(=O)N(C)[C@@H](C)C(=O)N b34189397c26a800850ed09291c026cf [0,2,0,0,0,0|1,0,0]=3 1370 B9R0.79 CC(C)N(C)C(C)C(=O)O e86e3ef885a98e9581732e5b4fd4673a [0,2,0,0,0,0|1,0,1]=4 1371 B9R0.79 CC(C)N(C)[C@@H](C)C(=O)O 801e51c74bed5f1ec1af558778f654a6 [0,2,0,0,0,0|1,0,1]=4 1372 B9R0.79 CC(C)N(C)[C@H](C)C(=O)O 92464dee844224f6dd9bbc5f0671fad7 [0,2,0,0,0,0|1,0,1]=4 1373 B7R1.7 O=CCNC1CC1 96e340af7b360f214201a5a3c0a006d0 [1,0,0,1,0,0|1,0,1]=4 1374 B7R1.10 O=CN1CC(C1)O c56a5fb25f079a78b4196509b3241e16 [1,0,0,1,0,0|1,0,1]=4 1375 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [1,0,0,1,0,0|1,0,1]=4 1376 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [1,0,0,1,0,0|1,0,1]=4 1377 B9R1.35 CC(=O)N1CCC(C1)O d6f7e3e992ee3d9bc88f42beae2651f4 [0,0,0,1,0,1|1,0,1]=4 1378 B9R1.35 CC(=O)N1CC[C@@H](C1)O eba103538f34c1984ba106a2ce04ce40 [0,0,0,1,0,1|1,0,1]=4 1379 B9R1.35 CC(=O)N1CC[C@H](C1)O a7a4738d457ef17a95fd7f51dd477d8d [0,0,0,1,0,1|1,0,1]=4 1380 B9R1.46 CC1CC1NCC(=O)O 3bfaf8234ce2a2ce9175fc2c1a135a09 [0,0,0,1,0,1|1,0,1]=4 1381 B9R1.46 O=C(O)CN[C@@H]1C[C@H]1F a6c43cdb6b93e8ffb5565a60fb69e134 [0,0,0,1,0,1|1,0,1]=4 1382 B9R1.46 O=C(O)CN[C@H]1C[C@@H]1F 69d5a409f8843b0b8e9804d9f047552d [0,0,0,1,0,1|1,0,1]=4 1383 B9R1.46 O=C(O)CN[C@H]1C[C@H]1F cedd2a80fac675c783fcb497e5c8c7a7 [0,0,0,1,0,1|1,0,1]=4 1384 B9R1.53 CC(=O)NC1CC(C1)O 8799f4af3e0b6d09fbf8b9528ac7ebaa [0,0,0,1,0,1|1,0,1]=4 1385 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 8a924b3dc097e65a33d640e85c34f83f [0,0,0,1,0,1|1,0,1]=4 1386 B9R1.53 CC(=O)N[C@H]1C[C@H](C1)O fe9ddac170e9c08eaecbd11e2341ace8 [0,0,0,1,0,1|1,0,1]=4 1387 B9R1.53 O=C(O)CN1CC(C1)F bc7076e56d5dac9076928f37c7df6ae5 [0,0,0,1,0,1|1,0,1]=4 1388 B9R1.53 O=C(O)CN1CC(C1)O cd9cc5381132e3ab65c96da44eace8e8 [0,0,0,1,0,1|0,0,2]=4 1389 B9R1.85 O=C(O)CCNC1CC1 d7e51b454c1ee077c45877f37cbd9dbc [0,0,0,1,0,1|1,0,1]=4 1390 B9R1.85 O=C(O)CNCC1CC1 8970904c8ad5ee5911fea5cdeb7d255c [0,0,0,1,0,1|1,0,1]=4 1391 B9R1.170 CC1(CN1CC(=O)O)C 3ccf565e03ddb18b56e78099947f70c7 [0,0,0,1,0,1|1,0,1]=4 1392 B9R1.67 CC(=O)NC1CCC1O d5d791e34b0dd746abea58e641e7eb71 [0,1,0,1,0,0|1,0,1]=4 1393 B9R1.67 CC(=O)NC1COC1C 8a920b5eb5f4182753f432fdd48c3fbd [0,1,0,1,0,0|1,0,1]=4 1394 B9R1.67 CC(=O)N[C@@H]1CC[C@@H]1O 4643b690b6b53ddad1b5aeb87bd8a349 [0,1,0,1,0,0|1,0,1]=4 1395 B9R1.67 CC(=O)N[C@@H]1CC[C@H]1O fba29ddb8346f550c0015141c61e8c98 [0,1,0,1,0,0|1,0,1]=4 1396 B9R1.67 CC(=O)N[C@H]1CC[C@@H]1O 263fe95019aba723bed92cdedf021005 [0,1,0,1,0,0|1,0,1]=4 1397 B9R1.67 CC(=O)N[C@H]1CC[C@H]1O 2992e307b4aa4b78fb6fc80c541a013f [0,1,0,1,0,0|1,0,1]=4 1398 B9R1.67 CC(=O)N[C@H]1CNC1=O 86318f253af44e89c841fa6df70b952d [0,1,0,1,0,0|1,0,0]=3 1399 B9R1.80 COC(=O)CNC1CC1 37b7063fe7ca1fcea414d9751a83b310 [0,1,0,1,0,0|1,0,1]=4 1400 B9R1.80 O=C(CNC1CC1)NO 336918cceffa2835ff69e4f871ea2b67 [0,1,0,1,0,0|1,0,1]=4 1401 B9R1.80 O=C(CO)CNC1CC1 8ca5e06ba58066d00de17d8cea9c9025 [0,1,0,1,0,0|1,0,1]=4 1402 B9R1.82 CCC(=O)N1CC(C1)O 6c88fbbaadbff4515bdef0fc8a302c00 [0,1,0,1,0,0|1,0,1]=4 1403 B9R1.82 O=C(CF)N1CC(C1)O 279b0a60744348882a32ae51ee2db2ce [0,1,0,1,0,0|1,0,1]=4 1404 B9R1.82 O=C(CO)N1CC(C1)O 2086dd098a2aa7cd776869cf85de5ed2 [0,1,0,1,0,0|1,0,1]=4 1405 B9R1.82 O=C(CS)N1CC(C1)O 94e1deec9ad54aae9b48a660e80e51ee [0,1,0,1,0,0|1,0,1]=4 1406 B9R1.84 CC(=O)NCC1CCO1 74e9962ae59f4502bd57c52161ee5de6 [0,1,0,1,0,0|1,0,1]=4 1407 B9R1.84 CC(=O)NCC1COC1 06f36132d2ba2aaa4f8f4e9acac72ed3 [0,1,0,1,0,0|1,0,1]=4 1408 B9R1.84 CC(=O)NC[C@@H]1CCO1 baaf61a8c2cd88fd09af18fef905e8f1 [0,1,0,1,0,0|1,0,1]=4 1409 B9R1.84 CC(=O)NC[C@H]1CCO1 089f4a24e0b07350837a3d7a33ecfc52 [0,1,0,1,0,0|1,0,1]=4 1410 B9R1.84 O=C(O)CNC1CCC1 cd102a6a388082590edc8eed5830f2b0 [0,1,0,1,0,0|1,0,1]=4 1411 B9R1.84 O=C(O)CNC1COC1 6bb06b4c2db0ff27bdfc2db31b9d0a43 [0,1,0,1,0,0|0,0,2]=4 1412 B9R1.86 CC(=O)N[C@@H]1C[C@H]1CO 0ac341c281dc9252b106f5d7b9e0551f [0,1,0,1,0,0|1,0,1]=4 1413 B9R1.86 CC(=O)N[C@H]1C[C@@H]1CO 228632cfd2f8d7f21118d84b7904f197 [0,1,0,1,0,0|1,0,1]=4 1414 B9R1.86 CC(=O)N[C@H]1C[C@H]1CO 38116f4ae17d91e0551dbf756c4676ef [0,1,0,1,0,0|1,0,1]=4 1415 B9R1.86 CO[C@H]1C[C@H]1NC(=O)C b71e84ef949a92b8a12e539c63f6f21c [0,1,0,1,0,0|1,0,1]=4 1416 B9R1.95 CC(=O)N1CC(C1)CO 85101a47431a7260906a7aae57e2dae8 [0,1,0,1,0,0|1,0,1]=4 1417 B9R1.95 COC1CN(C1)C(=O)C 8d5807765a4dcadf973d1cf1977d8745 [0,1,0,1,0,0|1,0,1]=4 1418 B9R1.147 CC(=O)NCC1(CC1)O d545e148c8e5a1bc54e3d5cdc886cdb3 [0,1,0,1,0,0|1,0,1]=4 1419 B9R1.147 CC1(CC1)NCC(=O)O 791305df7ecb343fa5b5da54e63f6381 [0,1,0,1,0,0|1,0,1]=4 1420 B9R1.112 CC(NC1CC1)C(=O)O 9f16a679f53d1b6a7c598414dcc647c1 [0,1,0,1,0,0|1,0,1]=4 1421 B9R1.112 C[C@@H](NC1CC1)C(=O)O 0af862409a6887d25e25f4a186199a51 [0,1,0,1,0,0|1,0,1]=4 1422 B9R1.112 C[C@H](NC1CC1)C(=O)O 8f50576c81c731defbf87059fbc2bbc5 [0,1,0,1,0,0|1,0,1]=4 1423 B9R1.112 O=C(O)C(F)NC1CC1 ab0cb5dbff8f96a53d4ab238afd2e5b2 [0,1,0,1,0,0|1,0,1]=4 1424 B9R1.112 O=C(O)C(O)NC1CC1 5879b8d2b4559669899973f84acbc223 [0,1,0,1,0,0|1,0,1]=4 1425 B9R1.112 O=C(O)[C@H](F)NC1CC1 2357739b82c4749fceebf72401d17ad2 [0,1,0,1,0,0|1,0,1]=4 1426 B9R1.137 CN(CC(=O)O)C1CC1 e912d9f2a96d438402b8e9e74437ecb9 [0,1,0,1,0,0|1,0,1]=4 1427 B9R1.164 CC(=O)N1CC(C1)(C)O 7b2fe8896654a3a11184202c1e270a66 [0,1,0,1,0,0|1,0,1]=4 1428 B9R0.55 C/C(=C/CNCC(=O)N)/I 5d470a066c8c57faf5038cc6e9ce73ba [0,0,0,0,0,2|2,0,0]=4 1429 B9R0.55 C/C(=C/CNCC(=O)O)/I a76d6dbc0e5328a9b8aa64ebd1b6c194 [0,0,0,0,0,2|1,0,0]=3 1430 B9R0.55 C/C(=C/COCC(=O)O)/Cl bdea4f5aeb03cc258b24f376652d8a21 [0,0,0,0,0,2|2,0,0]=4 1431 B9R0.55 C/C(=C/COCC(=O)O)/I 6bfad94351ed127d47214e042271c08e [0,0,0,0,0,2|2,0,0]=4 1432 B9R0.55 C/C(=C\CNCC(=O)N)/Cl 12304371a65b52ac9720b5fb05db8623 [0,0,0,0,0,2|2,0,0]=4 1433 B9R0.55 C/C(=C\CNCC(=O)O)/Cl 33489f0d342c5536f81ea090a2f820e8 [0,0,0,0,0,2|1,0,0]=3 1434 B9R0.55 C/C(=C\COCC(=O)O)/Cl 4fa34096288c6e1175d96996004a7d69 [0,0,0,0,0,2|2,0,0]=4 1435 B9R0.55 C=C(Br)CNCCC(=O)C 39822f5384ade9c78a7520db0c659c30 [0,0,0,0,0,2|2,0,0]=4 1436 B9R0.55 C=C(Br)CNCCC(=O)O 24d418da2c74050d4e807f3cdc1c65d8 [0,0,0,0,0,2|1,0,1]=4 1437 B9R0.55 C=C(Br)CNCOC(=O)C 66a04648ef1309d96651038dcafd8006 [0,0,0,0,0,2|2,0,0]=4 1438 B9R0.55 C=C(Br)COCNC(=O)C a5aadae3cd23b788793f68d771ffa63b [0,0,0,0,0,2|2,0,0]=4 1439 B9R0.55 C=C(C)CCNCC(=O)C ecc5eaef95bd43b57450b718411d778a [0,0,0,0,0,2|2,0,0]=4 1440 B9R0.55 C=C(C)CCNCC(=O)N ca4965e13bd2acdb7d843062df458fed [0,0,0,0,0,2|2,0,0]=4 1441 B9R0.55 C=C(C)CCNCC(=O)O 14f79230f366d4f53483d592ca1209f4 [0,0,0,0,0,2|1,0,0]=3 1442 B9R0.55 C=C(C)CCOCC(=O)O d511df34cdc214eb72cb2dd39c037f73 [0,0,0,0,0,2|2,0,0]=4 1443 B9R0.55 C=C(C)CNCCC(=O)C 8f02e27a7c607dfc1a5bc61e972fbe37 [0,0,0,0,0,2|2,0,0]=4 1444 B9R0.55 C=C(C)CNCCC(=O)N 2b98860e45e58e139d93177c6c6c578a [0,0,0,0,0,2|2,0,0]=4 1445 B9R0.55 C=C(C)CNCCC(=O)O c94702ac8441eb8e035c8c88a218653b [0,0,0,0,0,2|1,0,0]=3 1446 B9R0.55 C=C(C)CNCCS(=O)O be713806f813a34f6e21929145611649 [0,0,0,0,0,2|2,0,0]=4 1447 B9R0.55 C=C(C)CNCOC(=O)C 99ad069ec9b09d4e775e7a2a21599591 [0,0,0,0,0,2|2,0,0]=4 1448 B9R0.55 C=C(C)CNCSC(=O)N 2cd73d5ea9cf1a557eb367a42a425930 [0,0,0,0,0,2|2,0,0]=4 1449 B9R0.55 C=C(C)COCCC(=O)O e23f99666316477d86f1528d4f6e582f [0,0,0,0,0,2|2,0,0]=4 1450 B9R0.55 C=C(C)COCNC(=O)C 9d3e2eefb9548d3d67bc31e1bb5c4c46 [0,0,0,0,0,2|2,0,0]=4 1451 B9R0.55 C=C(Cl)CNCCC(=O)O d7a8796dbf447df8169b63ab3acf3abc [0,0,0,0,0,2|1,0,1]=4 1452 B9R0.55 C=C(Cl)COCNC(=O)C ba0467e019ff68e7887321022cc5dfcc [0,0,0,0,0,2|2,0,0]=4 1453 B9R0.55 C=C(F)CNCCC(=O)O 0aeb2472ea35931086b539b89b183be7 [0,0,0,0,0,2|1,0,1]=4 1454 B9R0.55 C=C(F)COCNC(=O)C 8b9022607cb2650ac4d02eff2a32a283 [0,0,0,0,0,2|2,0,0]=4 1455 B9R0.55 CC(=CCNCC(=O)N)C f294be375a520a8636b9688190e6e936 [0,0,0,0,0,2|2,0,0]=4 1456 B9R0.55 CC(=CCNCC(=O)N)Cl a0e22eb292d81b1b600ec06891d9bc49 [0,0,0,0,0,2|2,0,0]=4 1457 B9R0.55 CC(=CCNCC(=O)N)I 6b58cb7c34f6eaf2865e1c1c6b527c06 [0,0,0,0,0,2|2,0,0]=4 1458 B9R0.55 CC(=CCNCC(=O)O)C eb2d4cd02024c6dd2f4bde47f5d99d0f [0,0,0,0,0,2|1,0,0]=3 1459 B9R0.55 CC(=CCNCC(=O)O)Cl 6d8afa17fed8b33a695b60b47587d586 [0,0,0,0,0,2|1,0,0]=3 1460 B9R0.55 CC(=CCNCC(=O)O)I e657b86155224eb6f1335bfe7dfa415c [0,0,0,0,0,2|1,0,0]=3 1461 B9R0.55 CC(=CCOCC(=O)O)C dd5792ad54701fa0e3373ee19c312e10 [0,0,0,0,0,2|2,0,0]=4 1462 B9R0.55 CC(=CCOCC(=O)O)Cl 694c1884a37ad5555ea5d980bc801c56 [0,0,0,0,0,2|2,0,0]=4 1463 B9R0.55 CC(=CCOCC(=O)O)I be3e61200a84664bfac9ff931641085e [0,0,0,0,0,2|2,0,0]=4 1464 B9R0.55 CC(=O)CCNCC(=O)C a214a75957335c42a991001b0d025dcf [0,0,0,0,0,2|1,0,0]=3 1465 B9R0.55 CC(=O)CCNCC(=O)N 883ed360f69e34416c89d3b52cc5ee69 [0,0,0,0,0,2|1,0,0]=3 1466 B9R0.55 CC(=O)CCNCC(=O)O 40694212f6627e29d6641d6f27eb6cbd [0,0,0,0,0,2|0,0,0]=2 1467 B9R0.55 CC(=O)CCNCC(C)O 1e4535b6e0ff075e7741b213424a4a2f [0,0,0,0,0,2|1,0,1]=4 1468 B9R0.55 CC(=O)CCNC[C@@H](C)O d673557cdbf1f592c8dda2f56361c517 [0,0,0,0,0,2|1,0,1]=4 1469 B9R0.55 CC(=O)CCNC[C@H](C)O 45bdb4c19b607b23643637f75b4e9707 [0,0,0,0,0,2|1,0,1]=4 1470 B9R0.55 CC(=O)CCOCC(=O)C 974441e375e1fad064766c61157f7015 [0,0,0,0,0,2|2,0,0]=4 1471 B9R0.55 CC(=O)CCOCC(=O)N 282ca2239418fd9eb0b111d82a9b4972 [0,0,0,0,0,2|2,0,0]=4 1472 B9R0.55 CC(=O)CCOCC(=O)O 9074473ccbed0d52dad15c2ee2e3d18e [0,0,0,0,0,2|1,0,0]=3 1473 B9R0.55 CC(=O)CCOCS(=O)O f6e9010978f00c1cf77b9647abda7b06 [0,0,0,0,0,2|2,0,0]=4 1474 B9R0.55 CC(=O)CNC/C=C(/C)\I 8fb64e54918c00681e3d99a3c8f3f6e7 [0,0,0,0,0,2|2,0,0]=4 1475 B9R0.55 CC(=O)CNC/C=C(\C)/Cl d5af9dace4c6258cda58df27975c2a9d [0,0,0,0,0,2|2,0,0]=4 1476 B9R0.55 CC(=O)CNCC=C(C)C 347004cda9a627e5bb1774daa03c36a7 [0,0,0,0,0,2|2,0,0]=4 1477 B9R0.55 CC(=O)CNCC=C(C)Cl ed56f7cfb59eb5667273b8a933d4b1cd [0,0,0,0,0,2|2,0,0]=4 1478 B9R0.55 CC(=O)CNCC=C(C)I f5c0e45984d261f29ab67880714cbfe7 [0,0,0,0,0,2|2,0,0]=4 1479 B9R0.55 CC(=O)CNCC=C(Cl)Cl 1a616c9f5f55e3b65bff557ea0431955 [0,0,0,0,0,2|2,0,0]=4 1480 B9R0.55 CC(=O)CNCCC(=O)N 131a7e451436a40baf4f4512e78ed898 [0,0,0,0,0,2|1,0,0]=3 1481 B9R0.55 CC(=O)CNCCC(=O)O f7e1177d8b3728ece360d0f60d2f3d30 [0,0,0,0,0,2|0,0,0]=2 1482 B9R0.55 CC(=O)CNCCC(C)O bb1baaff82472d97dc1cb89a36c3c257 [0,0,0,0,0,2|1,0,1]=4 1483 B9R0.55 CC(=O)CNCCS(=O)C c95eec6a0a25a386e2b31b5961a26e0c [0,0,0,0,0,2|2,0,0]=4 1484 B9R0.55 CC(=O)CNCOC(=O)C a9161550bc0d229e260db58308a89ece [0,0,0,0,0,2|1,0,0]=3 1485 B9R0.55 CC(=O)CNCSC(=O)N d04657b191cf6ccb90eae4a71ecc71f1 [0,0,0,0,0,2|1,0,0]=3 1486 B9R0.55 CC(=O)COCCC(=O)N 1bca4404f8e823f3667de3d7a32641f4 [0,0,0,0,0,2|2,0,0]=4 1487 B9R0.55 CC(=O)COCCC(=O)O 9181529c791e851b859a70ea035f0690 [0,0,0,0,0,2|1,0,0]=3 1488 B9R0.55 CC(=O)COCOC(=O)C 0a6d1225fe7bef34fcb9b1c236dba034 [0,0,0,0,0,2|2,0,0]=4 1489 B9R0.55 CC(=O)COCSC(=O)N ed4c37baa9cf7498fea80d0f4092b67c [0,0,0,0,0,2|2,0,0]=4 1490 B9R0.55 CC(=O)NCCCC(=O)N b2e1a0ba0837c4a3760cbdc18a234480 [0,0,0,0,0,2|1,0,0]=3 1491 B9R0.55 CC(=O)NCCCS(=O)C 85ed7b7246ef0c021ed1278da00bdfcc [0,0,0,0,0,2|2,0,0]=4 1492 B9R0.55 CC(=O)NCCNC(=O)C 0321bfa08951e7410e51e8bd5f19cab9 [0,0,0,0,0,2|1,0,0]=3 1493 B9R0.55 CC(=O)NCCNC(=S)N 5dd4cf73537b28e3bcc4b9252ce5b60f [0,0,0,0,0,2|1,1,0]=4 1494 B9R0.55 CC(=O)NCOCC(=O)N 77b1de6b1dd1d9e88406c226df9bf41b [0,0,0,0,0,2|1,0,0]=3 1495 B9R0.55 CC(=O)NCOCC(=O)O 199bc2e8e5e1191f0ae1489131d4aa2e [0,0,0,0,0,2|0,0,0]=2 1496 B9R0.55 CC(=O)NCOC[N+](=O)[O-] 9e19909eeb342e2c75fb87ca7872e91a [0,0,0,0,0,2|1,0,1]=4 1497 B9R0.55 CC(=O)OCNCC(=O)N 232e9a2ddb08b4da6f7ca4e446499235 [0,0,0,0,0,2|1,0,0]=3 1498 B9R0.55 CC(=O)OCNCC(=O)O 931361d70c9f9259da3c0cb1999fabc7 [0,0,0,0,0,2|0,0,0]=2 1499 B9R0.55 CC(=O)OCNCC(C)O 9db9e7d06b2a8cad87a499ac08f0e412 [0,0,0,0,0,2|1,0,1]=4 1500 B9R0.55 CC(=O)OCNC[C@@H](C)O cf466a4403498827be8d51621b10fac5 [0,0,0,0,0,2|1,0,1]=4 1501 B9R0.55 CC(=O)OCNC[C@H](C)O 8d21f065d54dba23af256e127e2724b7 [0,0,0,0,0,2|1,0,1]=4 1502 B9R0.55 CC(=O)OCOCC(=O)N d52007acb020881c7af3682f9e955c44 [0,0,0,0,0,2|2,0,0]=4 1503 B9R0.55 CC(=O)OCOCC(=O)O 420aa58c3d791b706016f7c13dd202fe [0,0,0,0,0,2|1,0,0]=3 1504 B9R0.55 CC(=O)OCOCS(=O)O aac12a3c6a270dbc4a58bd80d063c80d [0,0,0,0,0,2|2,0,0]=4 1505 B9R0.55 CC(C)CCNCC(=O)O bae9df2f573f745ee71bdebc170a935b [0,0,0,0,0,2|1,0,1]=4 1506 B9R0.55 CC(C)CNCCC(=O)O c1d65499ae131aec028ce1008fad9272 [0,0,0,0,0,2|1,0,1]=4 1507 B9R0.55 CC(C)NC/C=C/C(=O)O ae9dbd87f20c6972a3670d953188c3ce [0,0,0,0,0,2|1,0,1]=4 1508 B9R0.55 CC(C)NCC#CC(=O)O 2322157e673e62502fc91ecd464ad9e6 [0,0,0,0,0,2|1,0,1]=4 1509 B9R0.55 CC(C)NCC=CC(=O)O 8c3eb5e4ab7e707382a244b29e0cbb5e [0,0,0,0,0,2|1,0,1]=4 1510 B9R0.55 CC(C)NCCCC(=O)O 01eb41f71d44f45aa45fe88cad39755b [0,0,0,0,0,2|1,0,1]=4 1511 B9R0.55 CC(C)OCNCC(=O)O 116e31958898eaa4d243bb8a4f561aab [0,0,0,0,0,2|1,0,1]=4 1512 B9R0.55 CC(O)CCNCC(=O)O f5b9d99827273ca6405b63a402359712 [0,0,0,0,0,2|0,0,2]=4 1513 B9R0.55 CC(O)CNCCC(=O)O 5882e34934c12d2feca68ee09fe20110 [0,0,0,0,0,2|0,0,2]=4 1514 B9R0.55 CN(C)CCNCC(=O)O 634f8ba28991fe4a91743dfcd1ec664b [0,0,0,0,0,2|2,0,0]=4 1515 B9R0.55 CN(C)CNCCC(=O)O f2f92c2697e6f0a8922b2579c214314b [0,0,0,0,0,2|2,0,0]=4 1516 B9R0.55 CS(=O)CCNCC(=O)N 5ff553f3a3e2971245c2dc36e6f09447 [0,0,0,0,0,2|2,0,0]=4 1517 B9R0.55 CS(=O)CCNCC(=O)O d14fa2db8bf0bb5b19c1028796e497cd [0,0,0,0,0,2|1,0,0]=3 1518 B9R0.55 CS(=O)CCOCC(=O)O 52722d02a38e3b2fdc3782816d19eb63 [0,0,0,0,0,2|2,0,0]=4 1519 B9R0.55 C[C@@H](O)CCNCC(=O)O 6cb5155f5967c169f19da87fcc6fe141 [0,0,0,0,0,2|0,0,2]=4 1520 B9R0.55 C[C@@H](O)CNCCC(=O)O 89bce0b12fdfcc97280f28e831e10e33 [0,0,0,0,0,2|0,0,2]=4 1521 B9R0.55 C[C@H](O)CCNCC(=O)O ee12b5275e40fded6221f388dcb65b90 [0,0,0,0,0,2|0,0,2]=4 1522 B9R0.55 C[C@H](O)CNCCC(=O)O 1700bfa1d15f33a96885ae735b30c8fc [0,0,0,0,0,2|0,0,2]=4 1523 B9R0.55 NC(=O)CCNCC(=O)N 6c7ac63dfb77e7ac00602408a99f0adc [0,0,0,0,0,2|2,0,0]=4 1524 B9R0.55 NC(=O)CCNCC(=O)O 0548630220f8ca730429d726b818a8af [0,0,0,0,0,2|1,0,0]=3 1525 B9R0.55 NC(=O)CCOCC(=O)O e1e06485f8b6feaac7b45933a9f0ab14 [0,0,0,0,0,2|2,0,0]=4 1526 B9R0.55 NC(=O)CNCCC(=O)O 2ba606c8f6665fb6dce79962b1dc62fe [0,0,0,0,0,2|1,0,0]=3 1527 B9R0.55 NC(=O)CNCCS(=O)O 59037be157a13e246524cf4659449e32 [0,0,0,0,0,2|2,0,0]=4 1528 B9R0.55 NC(=O)CNCSC(=O)N bda62a01e65a50a5d9fe5c19c9376a90 [0,0,0,0,0,2|2,0,0]=4 1529 B9R0.55 NC(=O)COCCC(=O)O 5888c606ee8d1d7646cca4bfa757c6be [0,0,0,0,0,2|2,0,0]=4 1530 B9R0.55 NC(=O)COCNC(=O)N 50e06ae82509157dafb89b981bebf10e [0,0,0,0,0,2|2,0,0]=4 1531 B9R0.55 NC(=O)NCOCC(=O)O aa1d067641223fda4e4dc0e730e5d693 [0,0,0,0,0,2|1,0,0]=3 1532 B9R0.55 NC(=O)SCNCC(=O)O 762bc44e3fef9e4ec20bdcff92d70b03 [0,0,0,0,0,2|1,0,0]=3 1533 B9R0.55 NC(=S)CCNCC(=O)O 612ed27813c3086dd8e4bdb29636b2a4 [0,0,0,0,0,2|1,1,0]=4 1534 B9R0.55 O=C(O)CCNCC(=O)O 43f65cc1fd2997c2e3d09ce76b5140c2 [0,0,0,0,0,2|1,0,0]=3 1535 B9R0.55 O=C(O)CCNC[N+](=O)[O-] aaa441c72228b6a93878e5f40b95518e [0,0,0,0,0,2|2,0,0]=4 1536 B9R0.55 O=C(O)CCOCC(=O)O 4d49b71bab3c022809a84bb2137ebcf3 [0,0,0,0,0,2|2,0,0]=4 1537 B9R0.55 O=C(O)CNCC=C(Cl)Cl dea90aa16c7c8202323dad7ce99009f2 [0,0,0,0,0,2|2,0,0]=4 1538 B9R0.55 O=C(O)CNCCS(=O)O 888280bc8115e1a96669c6f2b9e6d21f [0,0,0,0,0,2|2,0,0]=4