0 B7R0.6 C=C(Br)CNC(=O)C c92ce6fe27dbf36b4b4cd43120064bb5 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 CC(=O)NCC(=O)N 92f9d7b7dd1ea6db16db7dd9d0e64155 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.6 CC(=O)NCC(F)F 959be05a9a4844ba21e7e7426b42132e [0,0,0,0,0,0|3,0,1]=4 9 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,0,0,0,0,0|2,0,1]=3 10 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,0,0,0,0,0|3,0,1]=4 12 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,0,0,0,0,0|2,0,1]=3 15 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 C=C(Br)CNC=O 2e020a236ab831176aea02028302e186 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,0,0,0,0,0|1,0,1]=3 23 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,0,0,0,0,0|1,1,1]=4 30 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [1,0,0,0,0,0|1,0,2]=4 33 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,0,0,0,0|2,0,1]=4 38 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,0,0,0,0,0|2,0,1]=4 39 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [1,0,0,0,0,0|2,0,0]=3 45 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [1,0,0,0,0,0|2,0,1]=4 46 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,0,0,0,0,0|2,0,1]=4 47 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.9 C#CC(=O)NCC(=C)C 4b9a48576964b8bd3954febe0390bc91 [0,1,0,0,0,0|3,0,0]=4 50 B8R0.9 C#CC(=O)NCC(=O)C e022c1a1be9c879c54777e9a6e6a8b36 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.9 C#CC(=O)NCC(=O)N 2ca35406e7a3e860a89d53aaa434de0f [0,1,0,0,0,0|2,0,1]=4 52 B8R0.9 C#CC(C)NCC(=O)O 6d3e097d7e417cba1ca3cc5354bf3682 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.9 C#CC(C)OCC(=O)O 86945981ae8eaaa778f83ec3ae4ff391 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.9 C#C[C@@H](C)NCC(=O)O 870b1440fbecf6ad620d6ff4e4eac50b [0,1,0,0,0,0|2,0,1]=4 55 B8R0.9 C#C[C@@H](C)OCC(=O)O 9bbfddfb8eea4f6aea8d08313b189ed8 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.9 C#C[C@H](C)NCC(=O)O 3c98bce4a0db3f45a27121a2c37598a6 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.9 C#C[C@H](C)OCC(=O)O 33b89dc76124892fb33f6382d6c567d7 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.9 C=C(Br)CNC(=O)CC c87421a176840d2907d7ee2f29f8c8b6 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.9 C=C(Br)CNC(=O)CF 823766bdbdd8f169807ca1383a6272bf [0,1,0,0,0,0|3,0,0]=4 60 B8R0.9 C=C(Br)CNC(=O)CO 5926a7122547338dc7794442d8cc8a79 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.9 C=C(Br)CNC(=O)CS 6b31e3ba1002a8ba74a06110a2f65b06 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.9 C=C(C)CNC(=O)C=O e25a86e0bb63ccbe7ba4554fc95b9a26 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.9 C=C(C)CNC(=O)CC 32c4b91879f81cdaadb4286b48c67a5d [0,1,0,0,0,0|3,0,0]=4 64 B8R0.9 C=C(C)CNC(=O)CF 9e174f36563c098f37022cb2648c32e5 [0,1,0,0,0,0|3,0,0]=4 65 B8R0.9 C=C(C)CNC(=O)CO ea98526bca8d7363ad41fae75f4ac9a5 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.9 C=C(C)CNC(=O)CS 497b396057e3c61f5cc6dfafc46145da [0,1,0,0,0,0|2,1,0]=4 67 B8R0.9 C=C(C)COC(=C)C=O 0f34183f4535f8f67393cd2e0fb0f88e [0,1,0,0,0,0|3,0,0]=4 68 B8R0.9 C=C(C=O)OCC(=O)N 48e3f59f9cf46c877655a42aec8886d8 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.9 C=C(C=O)OCC(=O)O 51cf25f24ad7581d33b70bddaf0e4f72 [0,1,0,0,0,0|1,0,1]=3 70 B8R0.9 C=CC(=O)NCC(=C)C 7a9df38faaf26b94fb6f7de2a447189d [0,1,0,0,0,0|3,0,0]=4 71 B8R0.9 C=CC(=O)NCC(=O)C f3e7b40bd3652c0c7e95694f9b8e4899 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.9 C=CC(=O)NCC(=O)N 20b8ac41e9b4db2afe985e4cd5c593a7 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.9 C=CC(C)NCC(=O)O 7295ae78f031d02442986d01915b1589 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.9 C=CC(C)OCC(=O)O a247bec38dd53f48038da06d8390c9f2 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.9 C=CC(O)CNC(=O)C 81607a1da75c9494462df99b512c5607 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.9 C=C[C@H](C)OCC(=O)O 11d6db631afaf24abf76538c811f1efa [0,1,0,0,0,0|2,0,1]=4 77 B8R0.9 CC(=O)CNC(=O)C=O e36f5c6f9913c25cdf6ac5993b0393a1 [0,1,0,0,0,0|1,0,1]=3 78 B8R0.9 CC(=O)CNC(=O)CF 51fe56aa9d240d573ecbdb68032eba65 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.9 CC(=O)CNC(=O)CO d375a24b35361625580ca34c6266f702 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.9 CC(=O)CNC(=O)CS 5d679f8f3bae9d6c5d53fb6156c809ab [0,1,0,0,0,0|1,1,0]=3 81 B8R0.9 CC(=O)CNC(C)C=O 5305abebdd5439cbe27a612adc8c23ab [0,1,0,0,0,0|2,0,1]=4 82 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,1,0,0,0,0|2,0,1]=4 84 B8R0.9 CC(=O)CN[C@H](C)C=O aeb82f57e8a877f800a721396ffa0f59 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.9 CC(=O)COC(C)C=O b91d02ad7a67994d76fa088d267acff2 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.9 CC(=O)CO[C@H](C)C=O 6df7154fde8ca8fb45e199e7b6ad0f88 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.9 CC(=O)NCC(=O)NO 859b03f5192e57ca509f1bfda110b8fd [0,1,0,0,0,0|1,0,0]=2 89 B8R0.9 CC(=O)NCC(C)CO 5107eece73873b4763584dc1449ad61c [0,1,0,0,0,0|2,0,1]=4 90 B8R0.9 CC(=O)NCC(F)CO b8843bcee854bfdd401231e90b011422 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.9 CC(=O)NCC(O)CO a7a306466b1599337a98d4a78b5d781e [0,1,0,0,0,0|1,0,2]=4 92 B8R0.9 CC(=O)NC[C@@H](F)CO 964c0a882da1253a8b823c85e90b43d9 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.9 CC(=O)NC[C@@H](O)CO a8483dbc09c1c7f138b3ed243987530b [0,1,0,0,0,0|1,0,2]=4 94 B8R0.9 CC(=O)NC[C@H](C)CO 5409bde0c2b60b9f7b568586e701b259 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.9 CC(=O)NC[C@H](F)CO 938a8d1e230afccbf699e7334f08d345 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.9 CC(=O)NC[C@H](O)CO 4c725599a6cf504375db5135be307edf [0,1,0,0,0,0|1,0,2]=4 97 B8R0.9 CC(C#N)NCC(=O)O b4dc74a9f9a0e75fffde2f481c0af544 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,1,0,0,0,0|2,0,1]=4 99 B8R0.9 CC(C)NCC(=O)NO d714842a0c42249cabffc4dfd5ab50bd [0,1,0,0,0,0|2,0,1]=4 100 B8R0.9 CC(C=O)NCC(=O)N 8e22627cfffb50e4ce2f26bd34026793 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.9 CC(C=O)NCC(=O)O 002ce333b4dccb41c4d993d9c09ef2b3 [0,1,0,0,0,0|1,0,1]=3 102 B8R0.9 CC(C=O)OCC(=O)N e8fdf3bf6f6dfcc63a5ed65bb70bb389 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.9 CC(C=O)OCC(=O)O 564a75409a0d42515a0d6296982e94e6 [0,1,0,0,0,0|1,0,1]=3 104 B8R0.9 CC(C=O)OCS(=O)O 9f51c4b3c988e5d0280d7682a1bfd66e [0,1,0,0,0,0|2,0,1]=4 105 B8R0.9 CC(CF)OCC(=O)O 72064f294e73f6a982bc7e430390395e [0,1,0,0,0,0|2,0,1]=4 106 B8R0.9 CC(CO)NCC(=O)O 3fa1442f69c9dfa3ad5830b54dce922d [0,1,0,0,0,0|1,0,2]=4 107 B8R0.9 CC(CS)OCC(=O)O 6f586a0cfc007fa60414bad735acd25c [0,1,0,0,0,0|1,1,1]=4 108 B8R0.9 CC(O)CCN(C)C=O 32af2d18851b8de7c2fbf9dc298410b8 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.9 CC(O)CNC(=O)CF d59c5e79c77aa7d822e3ecb11dcaef82 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.9 CC(O)CNC(=O)CO 9be864f31d0f9194e8eb36240c465097 [0,1,0,0,0,0|1,0,2]=4 111 B8R0.9 CC(O)CNC(=O)CS dbff926c910e39aef95fc4a90e7f24a8 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.9 CCC(=O)NCC(=O)C 5911502c3a8395822fc4c0959647e135 [0,1,0,0,0,0|2,0,0]=3 113 B8R0.9 CCC(=O)NCC(=O)N 07cfd3edf39ace2eb27c9b7f36ff92b5 [0,1,0,0,0,0|2,0,0]=3 114 B8R0.9 CCC(=O)NCC(C)O a0cefa62fd20423cdc1bf66278a42129 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.9 CCC(=O)NC[C@@H](C)O a391cc3778995f10350211a29d249a09 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.9 CCC(=O)NC[C@H](C)O 700448fc71267e87914b635955ddeec8 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.9 CCC(O)CNC(=O)C 303ca77168267846269f8e2248e6c650 [0,1,0,0,0,0|2,0,1]=4 120 B8R0.9 CCN(C)CCC(=O)C 704b8017c1fe42d466a2c16771fe60b9 [0,1,0,0,0,0|3,0,0]=4 121 B8R0.9 CCN(C)CCC(=O)N 8598f908b554962aaf272d88582a793e [0,1,0,0,0,0|3,0,0]=4 122 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,1,0,0,0,0|2,0,0]=3 123 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.9 CC[C@@H](O)CNC(=O)C 214f1ff21aca62cdd2be0dae45336745 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,1,0,0,0,0|2,0,1]=4 128 B8R0.9 CN(C=O)CCC(=O)N 90047bedb23fa37b5b4136a7076e845e [0,1,0,0,0,0|2,0,0]=3 129 B8R0.9 CN(CF)CCC(=O)N 6d094d2271b3869e64c635a327791e7d [0,1,0,0,0,0|3,0,0]=4 130 B8R0.9 CN(CF)CCC(=O)O 2d013e31aee2f0b22eda4a0cee146222 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.9 CN(CO)CCC(=O)N e23409c848954f75cfbaa958caecdeb6 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.9 CN(CO)CCC(=O)O a563a8e06bffade26f5d2de4c2323adb [0,1,0,0,0,0|1,0,1]=3 133 B8R0.9 CNC(=O)CNC(=O)C c907d9576897cc728ca9c254cf3b05e9 [0,1,0,0,0,0|2,0,0]=3 134 B8R0.9 COC(=O)CNC(=O)C b0f97d8003dd4b6278e13b9959e4a2e1 [0,1,0,0,0,0|1,0,0]=2 135 B8R0.9 COC(=O)CNC(C)C c3733748a55be9c482138184ed5baa45 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.9 COC(=O)COC(C)C 532fce5a880346bf56d52549b85157a8 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.9 CO[C@@H](C)CNC(=O)C 0cf2684fa855f95ea59e4d00d3adab12 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.9 CO[C@H](C)CNC(=O)C 8d64b64f82d28ad11a8f0edbe07358fd [0,1,0,0,0,0|2,0,1]=4 139 B8R0.9 C[C@@H](CO)NCC(=O)O a4ded20e76f16f8cb0ed35de8a1798b1 [0,1,0,0,0,0|1,0,2]=4 140 B8R0.9 C[C@@H](O)CNC(=O)CF 6a61f49e9c0d24ab6d4f46deb1461e7d [0,1,0,0,0,0|2,0,1]=4 141 B8R0.9 C[C@@H](O)CNC(=O)CO 9634e7d0b81aeff4d0ebcb0b1d05ff89 [0,1,0,0,0,0|1,0,2]=4 142 B8R0.9 C[C@@H](O)CNC(=O)CS 74f2114c184fa00cea5ec42867e295a6 [0,1,0,0,0,0|2,0,1]=4 143 B8R0.9 C[C@H](C=O)NCC(=O)N ef543a8173a46829d7a3deea97b641bf [0,1,0,0,0,0|2,0,1]=4 144 B8R0.9 C[C@H](C=O)NCC(=O)O da0ba3cdacb20d5b725c1d49bf4457c6 [0,1,0,0,0,0|1,0,1]=3 145 B8R0.9 C[C@H](C=O)OCC(=O)N 0891ae8d42b8c64aeeb2a884817c9c4b [0,1,0,0,0,0|2,0,1]=4 146 B8R0.9 C[C@H](C=O)OCC(=O)O 23da9f85b0c8b6dd61bf484a83ea2877 [0,1,0,0,0,0|1,0,1]=3 147 B8R0.9 C[C@H](C=O)OCS(=O)O 8401cc1464dfb196cf10debf69a3f25d [0,1,0,0,0,0|2,0,1]=4 148 B8R0.9 C[C@H](CO)NCC(=O)O 3604c50bbfd16fc53504ebc03416b43b [0,1,0,0,0,0|1,0,2]=4 149 B8R0.9 C[C@H](CS)OCC(=O)O ec11162dd59d106eaabeedeed690abec [0,1,0,0,0,0|1,1,1]=4 150 B8R0.9 C[C@H](O)CNC(=O)CF de054442a5e1e940c151636e21f7cde2 [0,1,0,0,0,0|2,0,1]=4 151 B8R0.9 C[C@H](O)CNC(=O)CO a9cb6b1498a706bccaa6d180a5a461c7 [0,1,0,0,0,0|1,0,2]=4 152 B8R0.9 C[C@H](O)CNC(=O)CS a2cc47a92507f6d2ddfbe5205109d70d [0,1,0,0,0,0|2,0,1]=4 153 B8R0.9 NC(=O)CNC(=O)C=O cc16ecbccf6387f209818c0b1994c242 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.9 NC(=O)CNC(=O)CF db593d89e7670a005c774ca2f8374dfb [0,1,0,0,0,0|2,0,0]=3 155 B8R0.9 NC(=O)CNC(=O)CO 653fe2a259064b2314936bfe631decbe [0,1,0,0,0,0|2,0,0]=3 156 B8R0.9 NC(=O)CNC(=O)CS 6e683197f6fdcf4c8284917873578464 [0,1,0,0,0,0|2,0,0]=3 157 B8R0.23 CC(=O)N(C)CC(=O)N 6f58f2f5ad7b07ef07711fc466f59108 [0,1,0,0,0,0|2,0,0]=3 158 B8R0.23 CC(=O)N(C)CC(C)O 4e9ef38fdc27d4895833669b87ebf855 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.23 CC(=O)N(C)C[C@H](C)O 021150eee8136a4b9cf5a9a8729a45c5 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.23 CC(=O)NC(C)C(=O)N 69ea1b0fb4e1891bc844e1c81cd6f7ed [0,1,0,0,0,0|2,0,0]=3 161 B8R0.23 CC(=O)NC(C)C(C)O 82d78b22fd9c1b1cb9a6f73c5b23c29f [0,1,0,0,0,0|2,0,1]=4 162 B8R0.23 CC(=O)N[C@@H](C)C(=O)N 1daed479b13f5a4dee80df6bef80207a [0,1,0,0,0,0|2,0,0]=3 163 B8R0.23 CC(=O)N[C@H](C)C(=O)N d4ac5a93c8007d546d5eddc7f5fb26e4 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.23 CC(C)N(C)CC(=O)O 402f1d7c3b958af1fceb64bdcde4405c [0,1,0,0,0,0|2,0,1]=4 165 B8R0.23 CC(C)NC(C)C(=O)O 14fb43a096987787a4c4cfde0de411d4 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.23 CC(C)NC(O)C(=O)O 9854a2bbdccc28b8651cc97fd5606c53 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.23 CC(C)N[C@@H](C)C(=O)O 97090174d192ee499ea4beaa2fe31161 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.23 CC(C)N[C@H](C)C(=O)O 1a6c2905adf438d6c173d7efe8c0cadc [0,1,0,0,0,0|2,0,1]=4 169 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,1,0,0,0,0|2,0,1]=4 170 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.29 CC(=O)NCC(C)(C)O ac59c5875c8df765f15b4c858063fbc9 [0,1,0,0,0,0|2,0,1]=4 173 B8R0.29 CC(=O)NCS(=O)(=O)O 1a40c2cf0952690abb086f32b64116de [0,1,0,0,0,0|2,0,0]=3 174 B8R0.29 CC(C)(C)NCC(=O)O 139b26a0be92451287fa1082e3371d98 [0,1,0,0,0,0|2,0,1]=4 175 B8R1.23 CC(=O)N1CC(C1)O 77ab01a2253fd049b876c0a3e724463e [0,0,0,1,0,0|2,0,1]=4 176 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,0,0,1,0,0|2,0,1]=4 178 B8R0.28 C=C(Br)CNCC(=O)C 0d597f53ebe2890dfc6a0457f76a5fcb [0,0,0,0,0,1|2,0,0]=3 179 B8R0.28 C=C(Br)CNCC(=O)N 613c6d4ab12104eca99727e63596bccd [0,0,0,0,0,1|2,0,1]=4 180 B8R0.28 C=C(Br)CNCC(=O)O 05b7dbb61d35e1c0bd7bb81a555d18bd [0,0,0,0,0,1|1,0,1]=3 181 B8R0.28 C=C(Br)COCC(=O)C 2998d15811d05ee94864f071d160f5f0 [0,0,0,0,0,1|2,0,0]=3 182 B8R0.28 C=C(Br)COCC(=O)N 2c6d55f6363876b84cccef21b90548f9 [0,0,0,0,0,1|2,0,1]=4 183 B8R0.28 C=C(Br)COCC(=O)O e8e184098bedf613b29dafbf59df235c [0,0,0,0,0,1|1,0,1]=3 184 B8R0.28 C=C(Br)COCS(=O)O 10005108ced4619e04f4fe7dbf69d91a [0,0,0,0,0,1|2,0,1]=4 185 B8R0.28 C=C(C)CCNC(=O)C aad0094172f39db5c54a5f1ed27a8fb8 [0,0,0,0,0,1|2,0,0]=3 186 B8R0.28 C=C(C)CNCC(=C)Br 7a86700029f10cc7328b698ddf7ebb81 [0,0,0,0,0,1|3,0,0]=4 187 B8R0.28 C=C(C)CNCC(=C)C ce8fef6b96794158a2a7f2c5084df290 [0,0,0,0,0,1|3,0,0]=4 188 B8R0.28 C=C(C)CNCC(=C)Cl 8e5abd738734f040c72b162d12175c4b [0,0,0,0,0,1|3,0,0]=4 189 B8R0.28 C=C(C)CNCC(=C)F 3277194697a0554f66b312d9b340b68a [0,0,0,0,0,1|3,0,0]=4 190 B8R0.28 C=C(C)CNCC(=O)C 78f45c6f7509cf460bc1a071e894d38c [0,0,0,0,0,1|2,0,0]=3 191 B8R0.28 C=C(C)CNCC(=O)N 8581ddd0da23c9284f8dc88ea47d82e4 [0,0,0,0,0,1|2,0,0]=3 192 B8R0.28 C=C(C)CNCC(=O)O d2fb071764818c27006da68838bfc61e [0,0,0,0,0,1|1,0,0]=2 193 B8R0.28 C=C(C)CNCC(C)O 2b714059ab9907260e6aaccb52d1cb14 [0,0,0,0,0,1|2,0,1]=4 194 B8R0.28 C=C(C)CNC[C@@H](C)O c594a1781a89398e4ea1a6fed43fc869 [0,0,0,0,0,1|2,0,1]=4 195 B8R0.28 C=C(C)CNC[C@H](C)O a78b3c91bc5afc2963451088f5a91de2 [0,0,0,0,0,1|2,0,1]=4 196 B8R0.28 C=C(C)CNC[N+](=O)[O-] 415a96ed9c22601dccb4b5a8e0df8c15 [0,0,0,0,0,1|2,0,1]=4 197 B8R0.28 C=C(C)COCC(=C)Br 1925536891145fafe4503d36fdf84734 [0,0,0,0,0,1|3,0,0]=4 198 B8R0.28 C=C(C)COCC(=C)C 6b2ffa44fb984e41aa9f83d07aa00ce1 [0,0,0,0,0,1|3,0,0]=4 199 B8R0.28 C=C(C)COCC(=C)Cl fb0245a9562b8b76a7dc63a50ec8b39e [0,0,0,0,0,1|3,0,0]=4 200 B8R0.28 C=C(C)COCC(=C)F 5b6dd87f560082626b69d7a0fc713d5d [0,0,0,0,0,1|3,0,0]=4 201 B8R0.28 C=C(C)COCC(=C)I 12409b3510a219145a3630f7c2079a50 [0,0,0,0,0,1|3,0,0]=4 202 B8R0.28 C=C(C)COCC(=O)C 3742b2df3a9a917d85dc43f50a8243d8 [0,0,0,0,0,1|2,0,0]=3 203 B8R0.28 C=C(C)COCC(=O)N 2e0576688aeeb2ae46f807ab3429eaee [0,0,0,0,0,1|2,0,0]=3 204 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [0,0,0,0,0,1|1,0,0]=2 205 B8R0.28 C=C(C)COCC(=S)N 899b5b017a1ce3379010fe82c20cec70 [0,0,0,0,0,1|2,1,0]=4 206 B8R0.28 C=C(C)COCS(=O)O a8428e5ac296d31c343bfaabd9a1be0e [0,0,0,0,0,1|2,0,0]=3 207 B8R0.28 C=C(C)COC[N+](=O)[O-] d22dc110c22febcbe5c6bc0dfae687ca [0,0,0,0,0,1|2,0,1]=4 208 B8R0.28 C=C(Cl)CNCC(=O)C 6407914012707c1ab5fd2c79654fa535 [0,0,0,0,0,1|2,0,0]=3 209 B8R0.28 C=C(Cl)CNCC(=O)N 7c8916fb7e7eeb0371664f121b45da36 [0,0,0,0,0,1|2,0,1]=4 210 B8R0.28 C=C(Cl)CNCC(=O)O 0ea0d61f8e1c4c420d416d9dc1a60953 [0,0,0,0,0,1|1,0,1]=3 211 B8R0.28 C=C(Cl)COCC(=O)C ad4435b5d09240ae6535f809383ea097 [0,0,0,0,0,1|2,0,0]=3 212 B8R0.28 C=C(Cl)COCC(=O)N e62d83867f4522fd361dc7fb28d237bf [0,0,0,0,0,1|2,0,1]=4 213 B8R0.28 C=C(Cl)COCC(=O)O ee8599d3a22727e83bdc3c798e5397dc [0,0,0,0,0,1|1,0,1]=3 214 B8R0.28 C=C(Cl)COCS(=O)O 9d5c2013ab89d18896673b9936d37196 [0,0,0,0,0,1|2,0,1]=4 215 B8R0.28 C=C(F)CNCC(=O)C 472ef255a1d32a88dcdb7879c6c91d0d [0,0,0,0,0,1|2,0,0]=3 216 B8R0.28 C=C(F)CNCC(=O)N ee22e010fabb455a65c1b5e9585a67b6 [0,0,0,0,0,1|2,0,1]=4 217 B8R0.28 C=C(F)CNCC(=O)O aab76ef26695cab61ed52383b845bb72 [0,0,0,0,0,1|1,0,1]=3 218 B8R0.28 C=C(F)COCC(=O)C 3b49497466c0b1ff9d1a27fea6f908e8 [0,0,0,0,0,1|2,0,0]=3 219 B8R0.28 C=C(F)COCC(=O)N aaf6ae400cee3b6823a75f7865680700 [0,0,0,0,0,1|2,0,1]=4 220 B8R0.28 C=C(F)COCC(=O)O f5776b84ba2c7eb610e1eea7ce1c5fab [0,0,0,0,0,1|1,0,1]=3 221 B8R0.28 C=C(F)COCS(=O)O 58d8f260e098cc200137c2217e19bc22 [0,0,0,0,0,1|2,0,1]=4 222 B8R0.28 C=C(I)COCC(=O)N 1888b9e916b6b5f049e5895e82c5075d [0,0,0,0,0,1|2,0,1]=4 223 B8R0.28 C=C(I)COCC(=O)O 52bbc10c521352de8ec4983b6d539a87 [0,0,0,0,0,1|1,0,1]=3 224 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,0,0,0,0,1|2,0,1]=4 225 B8R0.28 CC(=O)CNCC(=O)N bbda1f980dd395779fd519fc93ff8e42 [0,0,0,0,0,1|1,0,0]=2 226 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [0,0,0,0,0,1|0,0,0]=1 227 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,0,0,0,0,1|2,0,1]=4 228 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,0,0,0,0,1|1,0,1]=3 229 B8R0.28 CC(=O)CNCC(F)F 040d59234b7876c01745adf80e5ff725 [0,0,0,0,0,1|2,0,1]=4 230 B8R0.28 CC(=O)CNCN(C)C ec5ebd7a403a45eadc9cad461d333fc2 [0,0,0,0,0,1|3,0,0]=4 231 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,0,0,0,0,1|1,0,1]=3 232 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,0,0,0,0,1|1,0,1]=3 233 B8R0.28 CC(=O)CNC[N+](=O)[O-] 7a3a82e3de6714645b5bb71bc9461698 [0,0,0,0,0,1|1,0,1]=3 234 B8R0.28 CC(=O)COCC(=O)N 7a09bf9a262295e1e2b0e443dba0be09 [0,0,0,0,0,1|1,0,0]=2 235 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [0,0,0,0,0,1|0,0,0]=1 236 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,0,0,0,0,1|2,0,1]=4 237 B8R0.28 CC(=O)COCC(F)F 1c8a3357ef90b18ca0f3f98579cdfed3 [0,0,0,0,0,1|2,0,1]=4 238 B8R0.28 CC(=O)COCN(C)C 0fabcf829b746355f1de3762558cb13f [0,0,0,0,0,1|3,0,0]=4 239 B8R0.28 CC(=O)COC[N+](=O)[O-] 11dd7b7f3de37b7e5c4abf1dcb73583f [0,0,0,0,0,1|1,0,1]=3 240 B8R0.28 CC(=O)NCC=C(C)C 7c7868b44759d01e31a9aacecfcd8b3c [0,0,0,0,0,1|2,0,1]=4 241 B8R0.28 CC(=O)NCCC(=O)N 827b1ffc457a73bdad9dad1a9ea1d8a3 [0,0,0,0,0,1|1,0,0]=2 242 B8R0.28 CC(=O)NCCC(=S)N 80570d0c786305766e6afa5b1bb610c3 [0,0,0,0,0,1|1,1,0]=3 243 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,0,0,0,0,1|2,0,1]=4 244 B8R0.28 CC(=O)NCCC(C)O 9f83d99fdee0bda30ff85f31b4ee4b24 [0,0,0,0,0,1|1,0,1]=3 245 B8R0.28 CC(=O)NCCC(F)F 4173536c2fddb4363b9de4250b8bab34 [0,0,0,0,0,1|2,0,1]=4 246 B8R0.28 CC(=O)NCCN(C)C 4d10f56d353a729da2aad8b96e7ef495 [0,0,0,0,0,1|3,0,0]=4 247 B8R0.28 CC(=O)NCCS(=O)C f793348c68f8cf140d26df72f9958533 [0,0,0,0,0,1|2,0,0]=3 248 B8R0.28 CC(=O)NCCS(=O)O 7023ecca400195c2464a327147893c5f [0,0,0,0,0,1|1,0,0]=2 249 B8R0.28 CC(=O)NCC[C@@H](C)O 40ba395f3243b6aab3575e45be2f2594 [0,0,0,0,0,1|1,0,1]=3 250 B8R0.28 CC(=O)NCC[C@H](C)O ac547764dcce609b723a03cd4268cf9c [0,0,0,0,0,1|1,0,1]=3 251 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,0,0,0,0,1|2,0,1]=4 252 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,0,0,0,0,1|1,0,1]=3 253 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,0,0,0,0,1|2,0,1]=4 254 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,0,0,0,0,1|1,0,1]=3 255 B8R0.28 CC(C)COCS(=O)O 28c686504a6dcd9fda3dd07e4e3670ff [0,0,0,0,0,1|2,0,1]=4 256 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,0,0,0,0,1|2,0,1]=4 257 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,0,0,0,0,1|1,0,1]=3 258 B8R0.28 CC(C)NCCS(=O)O 263a3deff9fb38c3a098f5239db29a80 [0,0,0,0,0,1|2,0,1]=4 259 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,0,0,0,0,1|2,0,1]=4 260 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,0,0,0,0,1|1,0,1]=3 261 B8R0.28 CC(F)COCC(=O)N e9a9dcc4f520190840a7681321655420 [0,0,0,0,0,1|2,0,1]=4 262 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [0,0,0,0,0,1|1,0,1]=3 263 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,0,0,0,0,1|1,0,2]=4 264 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,0,0,0,0,1|0,0,2]=3 265 B8R0.28 CC(S)COCC(=O)N 82763365c9d88e903f647e90bafc9568 [0,0,0,0,0,1|1,1,1]=4 266 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [0,0,0,0,0,1|0,1,1]=3 267 B8R0.28 CN(C)CNCC(=O)N 61dc06082070ca26d637fe3f6c04d6ee [0,0,0,0,0,1|3,0,0]=4 268 B8R0.28 CN(C)CNCC(=O)O e6fa8314318b79cfd8ae4ca00ea3b758 [0,0,0,0,0,1|2,0,0]=3 269 B8R0.28 CN(C)COCC(=O)N 419913c96364efa4322cd65a17692db0 [0,0,0,0,0,1|3,0,0]=4 270 B8R0.28 CN(C)COCC(=O)O fc3ba42b9747b2743ad7eda51803bfcf [0,0,0,0,0,1|2,0,0]=3 271 B8R0.28 CN(C)COCS(=O)O 31b80e781d9b95ad4f23dc71b05264ed [0,0,0,0,0,1|3,0,0]=4 272 B8R0.28 C[C@@H](F)COCC(=O)N 26ec5b6c1520beb81cb66bb9beb36fee [0,0,0,0,0,1|2,0,1]=4 273 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [0,0,0,0,0,1|1,0,1]=3 274 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,0,0,0,0,1|1,0,2]=4 275 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,0,0,0,0,1|0,0,2]=3 276 B8R0.28 C[C@H](F)COCC(=O)N 7c480ef07c1a9a0730d837d631e998ff [0,0,0,0,0,1|2,0,1]=4 277 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [0,0,0,0,0,1|1,0,1]=3 278 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,0,0,0,0,1|1,0,2]=4 279 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,0,0,0,0,1|0,0,2]=3 280 B8R0.28 NC(=O)CNCC(=O)N 1869e6b85d32c869afb793b481c9e53a [0,0,0,0,0,1|2,0,0]=3 281 B8R0.28 NC(=O)CNCC(=O)O f2703709dbe66eb9eafa6a5e3a6833d0 [0,0,0,0,0,1|1,0,0]=2 282 B8R0.28 NC(=O)CNC[N+](=O)[O-] dae18960326b904b6b1ec23137a91f74 [0,0,0,0,0,1|2,0,1]=4 283 B8R0.28 NC(=O)COCC(=O)N 1d54b946a21ae0d810b48883329d2917 [0,0,0,0,0,1|2,0,0]=3 284 B8R0.28 NC(=O)COCC(=O)O ca1a8d30b253d832771128a06ed499a3 [0,0,0,0,0,1|1,0,0]=2 285 B8R0.28 NC(=O)COCC(=S)N 60355b737487d42bec12930c63b7fb72 [0,0,0,0,0,1|2,1,0]=4 286 B8R0.28 NC(=O)COCS(=O)O 69298b969cdd7f9a6e0864a9e1722ad2 [0,0,0,0,0,1|2,0,0]=3 287 B8R0.28 NC(=O)COC[N+](=O)[O-] f52b930a5bdf8a62df2d7655d483d71b [0,0,0,0,0,1|2,0,1]=4 288 B8R0.28 NC(=S)COCC(=O)O 29d31950ca99b5fd12dd696af3cc0c91 [0,0,0,0,0,1|1,1,0]=3 289 B8R0.28 O=C(O)CNCC(=O)O 7ab7bcf73fc666bf191dd4d7783c1974 [0,0,0,0,0,1|1,0,0]=2 290 B8R0.28 O=C(O)CNCC(F)F 040842ed6827b9851af762c119c56595 [0,0,0,0,0,1|2,0,1]=4 291 B8R0.28 O=C(O)CNC[N+](=O)[O-] 806b61457d3ba2a02c5db02823c3bf09 [0,0,0,0,0,1|2,0,0]=3 292 B8R0.28 O=C(O)COCC(=O)O c0e1c849c7114f9f4b4ce529ad852b29 [0,0,0,0,0,1|1,0,0]=2 293 B8R0.28 O=C(O)COCC(F)F 9e8fe105feb56c3ab08ea5459b7002d2 [0,0,0,0,0,1|2,0,1]=4 294 B8R0.28 O=C(O)COCS(=O)O 5f5dfe808e062671c6c68f22db3ca309 [0,0,0,0,0,1|2,0,0]=3 295 B8R0.28 O=C(O)COC[N+](=O)[O-] 6de314e5255acc45a8e7039e67021f9e [0,0,0,0,0,1|2,0,0]=3 296 B8R0.28 O=[N+]([O-])COCS(=O)O 5632f7b896200c18296bda89c9ff4a82 [0,0,0,0,0,1|3,0,0]=4 297 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [2,0,0,0,0,0|1,0,1]=4 298 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [2,0,0,0,0,0|1,0,1]=4 299 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [1,1,0,0,0,0|2,0,0]=4 300 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [1,1,0,0,0,0|1,0,1]=4 301 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [1,1,0,0,0,0|1,0,1]=4 302 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [1,1,0,0,0,0|1,0,1]=4 303 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [1,1,0,0,0,0|1,0,1]=4 304 B7R0.2 CN(C=O)CC(=O)N 647b1daaec1cafb5c97dc5a4d13d2291 [1,1,0,0,0,0|2,0,0]=4 305 B7R0.3 C=C(C=O)OCC=O d72a2d0abab614f8d0895b26ef9c5aa1 [1,1,0,0,0,0|1,0,1]=4 306 B7R0.3 C=CCCN(C)C=O adf6557a42cae72b9ac47eaa39c6c3f7 [1,1,0,0,0,0|2,0,0]=4 307 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [1,1,0,0,0,0|1,0,1]=4 308 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [1,1,0,0,0,0|1,0,1]=4 309 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [1,1,0,0,0,0|1,0,1]=4 310 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [1,1,0,0,0,0|2,0,0]=4 311 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [1,1,0,0,0,0|1,0,1]=4 312 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [1,1,0,0,0,0|1,0,1]=4 313 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [1,1,0,0,0,0|1,0,1]=4 314 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [1,1,0,0,0,0|1,0,1]=4 315 B7R0.3 CNC(=O)CNC=O c5a039538783b02b98603872d662eafb [1,1,0,0,0,0|1,0,0]=3 316 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [1,1,0,0,0,0|1,0,1]=4 317 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [1,1,0,0,0,0|1,0,0]=3 318 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [1,1,0,0,0,0|1,0,1]=4 319 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [1,1,0,0,0,0|1,0,1]=4 320 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [1,1,0,0,0,0|1,0,1]=4 321 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [1,1,0,0,0,0|1,0,1]=4 322 B7R0.3 O=CNCC(=O)NO 2a6f44f0a455b32a62c0f05c89977d8b [1,1,0,0,0,0|1,0,0]=3 323 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [1,1,0,0,0,0|1,0,1]=4 324 B7R0.4 C#CCNCC(=O)C 5de972c5592516dd50641220afa1c072 [1,1,0,0,0,0|1,0,1]=4 325 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [1,1,0,0,0,0|0,0,2]=4 326 B7R0.4 C#CCOCC(=O)C a3c93320b56e3e358d63fbc9e6735009 [1,1,0,0,0,0|1,0,1]=4 327 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [1,1,0,0,0,0|0,0,2]=4 328 B7R0.4 C=C(Br)CNCC=O e2d5057e5415c014e4eba7dcda8d7077 [1,1,0,0,0,0|1,0,1]=4 329 B7R0.4 C=C(Br)COCC=O 932c0edd4ecfcd86b1a7540357a0c61e [1,1,0,0,0,0|1,0,1]=4 330 B7R0.4 C=C(C)CCNC=O 4d615a3112b965fa05f258614a56fe4d [1,1,0,0,0,0|1,0,0]=3 331 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [1,1,0,0,0,0|1,0,1]=4 332 B7R0.4 C=C(C)CNCC=O 9d28817af531c4aeff91a0e804528258 [1,1,0,0,0,0|1,0,0]=3 333 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [1,1,0,0,0,0|1,0,1]=4 334 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [1,1,0,0,0,0|1,0,0]=3 335 B7R0.4 C=C(Cl)COCC=O a46b3c2e85fcf61c0da6edc2f5657d08 [1,1,0,0,0,0|1,0,1]=4 336 B7R0.4 C=C(F)COCC=O 991067569a0b8c59acfbfec7abe6c1dd [1,1,0,0,0,0|1,0,1]=4 337 B7R0.4 C=C(I)COCC=O 9efc69fa4611219ea35bee8334c7e9a5 [1,1,0,0,0,0|1,0,1]=4 338 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [1,1,0,0,0,0|1,0,0]=3 339 B7R0.4 C=CCNCC(=C)C 41a7db76b72ad250995c42f746d79056 [1,1,0,0,0,0|2,0,0]=4 340 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [1,1,0,0,0,0|1,0,0]=3 341 B7R0.4 C=CCNCC(=O)N 4c9ed8797e68589a4063017023a51a00 [1,1,0,0,0,0|1,0,1]=4 342 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [1,1,0,0,0,0|0,0,1]=3 343 B7R0.4 C=CCOCC(=C)C e2abf6a2fe1f9ea589c331127c249266 [1,1,0,0,0,0|2,0,0]=4 344 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [1,1,0,0,0,0|1,0,0]=3 345 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [1,1,0,0,0,0|1,0,1]=4 346 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [1,1,0,0,0,0|0,0,1]=3 347 B7R0.4 C=CCOCS(=O)O a1ef4061d59bf78682bff1f70f194383 [1,1,0,0,0,0|1,0,1]=4 348 B7R0.4 CC(=CCNC=O)C aa6f8132c2b4d81390aba70f51f750c7 [1,1,0,0,0,0|1,0,1]=4 349 B7R0.4 CC(=O)CCNC#N 4c80be72e90144dac156b66101e47221 [1,1,0,0,0,0|1,0,1]=4 350 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [1,1,0,0,0,0|1,0,1]=4 351 B7R0.4 CC(=O)CNCC#N 3143039d9319d06def2c85775b65f22b [1,1,0,0,0,0|1,0,1]=4 352 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [1,1,0,0,0,0|0,0,0]=2 353 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [1,1,0,0,0,0|1,0,1]=4 354 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [1,1,0,0,0,0|0,0,1]=3 355 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [1,1,0,0,0,0|0,1,1]=4 356 B7R0.4 CC(=O)COCC#N f6d942d7fed48c56b84b1cfe40ac78c5 [1,1,0,0,0,0|1,0,1]=4 357 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [1,1,0,0,0,0|0,0,0]=2 358 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [1,1,0,0,0,0|1,0,1]=4 359 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [1,1,0,0,0,0|0,1,1]=4 360 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [1,1,0,0,0,0|1,0,1]=4 361 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [1,1,0,0,0,0|1,0,1]=4 362 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [1,1,0,0,0,0|0,0,1]=3 363 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [1,1,0,0,0,0|1,0,1]=4 364 B7R0.4 CC(C)CCNC=O 8fb8d2f77b8e7548ff10a901f65a6a2b [1,1,0,0,0,0|1,0,1]=4 365 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [1,1,0,0,0,0|1,0,1]=4 366 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [1,1,0,0,0,0|1,0,1]=4 367 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [1,1,0,0,0,0|1,0,1]=4 368 B7R0.4 CC(F)COCC=O b46e29d4101a17f157843c4bdc730f6e [1,1,0,0,0,0|1,0,1]=4 369 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [1,1,0,0,0,0|0,0,2]=4 370 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [1,1,0,0,0,0|0,0,2]=4 371 B7R0.4 CC(S)COCC=O 15ebcb7a251dae8d81b8432f521474d6 [1,1,0,0,0,0|0,1,1]=4 372 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [1,1,0,0,0,0|1,0,1]=4 373 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [1,1,0,0,0,0|1,0,1]=4 374 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [1,1,0,0,0,0|1,0,1]=4 375 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [1,1,0,0,0,0|1,0,1]=4 376 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [1,1,0,0,0,0|0,0,1]=3 377 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [1,1,0,0,0,0|1,0,1]=4 378 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [1,1,0,0,0,0|1,0,1]=4 379 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [1,1,0,0,0,0|0,0,1]=3 380 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [1,1,0,0,0,0|1,0,1]=4 381 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [1,1,0,0,0,0|1,0,1]=4 382 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [1,1,0,0,0,0|0,0,1]=3 383 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [1,1,0,0,0,0|1,0,1]=4 384 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [1,1,0,0,0,0|1,0,1]=4 385 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [1,1,0,0,0,0|1,0,1]=4 386 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,1,0,0,0,0|0,0,1]=3 387 B7R0.4 CN(C)CCNC=O f6c5ad5f38b9716c3e69f7010da88e20 [1,1,0,0,0,0|2,0,0]=4 388 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [1,1,0,0,0,0|1,0,1]=4 389 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [1,1,0,0,0,0|1,0,1]=4 390 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [1,1,0,0,0,0|2,0,0]=4 391 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [1,1,0,0,0,0|1,0,0]=3 392 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [1,1,0,0,0,0|1,0,1]=4 393 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [1,1,0,0,0,0|2,0,0]=4 394 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [1,1,0,0,0,0|1,0,0]=3 395 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [1,1,0,0,0,0|2,0,0]=4 396 B7R0.4 CS(=O)CCNC=O 16cc205a7133a7d223ff6dc33bd772e5 [1,1,0,0,0,0|1,0,0]=3 397 B7R0.4 CS(=O)CCNCO fdcf9e99993e02a092ff2e9d4ac90523 [1,1,0,0,0,0|1,0,1]=4 398 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [1,1,0,0,0,0|2,0,0]=4 399 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [1,1,0,0,0,0|2,0,0]=4 400 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [1,1,0,0,0,0|2,0,0]=4 401 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [1,1,0,0,0,0|1,0,0]=3 402 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [1,1,0,0,0,0|2,0,0]=4 403 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [1,1,0,0,0,0|2,0,0]=4 404 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [1,1,0,0,0,0|1,0,0]=3 405 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [1,1,0,0,0,0|2,0,0]=4 406 B7R0.4 C[C@@H](F)COCC=O dfd322669411a585629980eb6b5be0dd [1,1,0,0,0,0|1,0,1]=4 407 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [1,1,0,0,0,0|0,0,2]=4 408 B7R0.4 C[C@@H](O)CNCC=O ae52f375140c99168e4849031ee267c7 [1,1,0,0,0,0|0,0,2]=4 409 B7R0.4 C[C@H](F)COCC=O 41a7eddb5d50f5c0a8a1cffec2a2d618 [1,1,0,0,0,0|1,0,1]=4 410 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [1,1,0,0,0,0|0,0,2]=4 411 B7R0.4 C[C@H](O)CNCC=O 58f727508ba2f4be3dc454ceda8497a8 [1,1,0,0,0,0|0,0,2]=4 412 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [1,1,0,0,0,0|1,0,1]=4 413 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [1,1,0,0,0,0|1,0,1]=4 414 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [1,1,0,0,0,0|1,0,1]=4 415 B7R0.4 NC(=O)CCNC=O 050e6ba173611e3f300554dbc19881d0 [1,1,0,0,0,0|1,0,0]=3 416 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [1,1,0,0,0,0|2,0,0]=4 417 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [1,1,0,0,0,0|1,0,1]=4 418 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [1,1,0,0,0,0|2,0,0]=4 419 B7R0.4 NC(=O)CNCC=O 814f24c650e32f1313a12556cffef937 [1,1,0,0,0,0|1,0,0]=3 420 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [1,1,0,0,0,0|1,0,1]=4 421 B7R0.4 NC(=O)COCC=O 352ad5d7e552372f66c1eb7b799ac531 [1,1,0,0,0,0|1,0,0]=3 422 B7R0.4 NC(=S)CCNC=O f6a23fd7dc0dc512f1366bbdac8ed6be [1,1,0,0,0,0|1,1,0]=4 423 B7R0.4 NC(=S)COCC=O df3e15a9d363d0003727879f2aca7634 [1,1,0,0,0,0|1,1,0]=4 424 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [1,1,0,0,0,0|1,0,0]=3 425 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [1,1,0,0,0,0|1,0,0]=3 426 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [1,1,0,0,0,0|1,0,0]=3 427 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [1,1,0,0,0,0|1,0,1]=4 428 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [1,1,0,0,0,0|1,0,1]=4 429 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [1,1,0,0,0,0|1,0,1]=4 430 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [1,1,0,0,0,0|0,0,2]=4 431 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [1,1,0,0,0,0|0,1,1]=4 432 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [1,1,0,0,0,0|1,0,1]=4 433 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [1,1,0,0,0,0|0,1,1]=4 434 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [1,1,0,0,0,0|0,0,0]=2 435 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [1,1,0,0,0,0|0,0,0]=2 436 B7R0.4 O=CCOCS(=O)O 141d1f578b26500f644754e34ae7763f [1,1,0,0,0,0|1,0,0]=3 437 B7R0.4 O=CNCCS(=O)O 70e230477665e9d8fed41cd897568279 [1,1,0,0,0,0|1,0,0]=3 438 B7R0.4 O=S(O)CCNCF 5944b9373ff00d58b6529129c165d8a2 [1,1,0,0,0,0|2,0,0]=4 439 B7R0.4 O=S(O)CCNCO fb9e10441f05965bf0dcfe0aab296669 [1,1,0,0,0,0|2,0,0]=4 440 B7R0.5 C=CCN(C)C(=O)C 77714e98bf9639848b13a6be6674f5f4 [1,1,0,0,0,0|2,0,0]=4 441 B7R0.5 CC(=O)N(C)CCO ba457e3be79fea19f791558c60ef2a77 [1,1,0,0,0,0|1,0,1]=4 442 B7R0.5 CC(NC=O)C(=O)N 46e3df0da90011f803541e030709e2d3 [1,1,0,0,0,0|2,0,0]=4 443 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [1,1,0,0,0,0|1,0,1]=4 445 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [1,1,0,0,0,0|1,0,1]=4 446 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [1,1,0,0,0,0|1,0,1]=4 447 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [1,1,0,0,0,0|1,0,1]=4 448 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [1,1,0,0,0,0|1,0,1]=4 449 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [1,1,0,0,0,0|1,0,1]=4 450 B7R0.5 C[C@@H](NC=O)C(=O)N b3f27251f3a1b388bbd3114e372f5d22 [1,1,0,0,0,0|2,0,0]=4 451 B7R0.5 C[C@H](NC=O)C(=O)N 16bf5f670688c6b3e99af2484506540e [1,1,0,0,0,0|2,0,0]=4 452 B7R0.8 O=CNCS(=O)(=O)O 282545849491a9f0f5479a944f45ae7c [1,1,0,0,0,0|2,0,0]=4 453 B9R0.1 C#CC(=O)NCCC(=C)C f129434345945548187b18b05471e849 [0,1,0,0,0,1|2,0,0]=4 454 B9R0.1 C#CC(=O)NCCC(=O)N d96f277790e4a8be7394410c291ac567 [0,1,0,0,0,1|1,0,1]=4 455 B9R0.1 C#CC(=O)NCCS(=O)C 8a812eafc9821a89315fd69948ee95fd [0,1,0,0,0,1|2,0,0]=4 456 B9R0.1 C#CC(=O)NCCS(=O)O 6dfb35a371d0b5d06df7f469aea88be5 [0,1,0,0,0,1|1,0,1]=4 457 B9R0.1 C#CC(C)NCCC(=O)O b5fa8c47938cc1ab8b71133a233a8712 [0,1,0,0,0,1|1,0,1]=4 458 B9R0.1 C#CC(C)OCCC(=O)O ca456cda53aab7a3e9ddc1555a141e4b [0,1,0,0,0,1|1,0,1]=4 459 B9R0.1 C#C[C@@H](C)NCCC(=O)O 2c3e5d536ee20bb10e4a276f986c03f0 [0,1,0,0,0,1|1,0,1]=4 460 B9R0.1 C#C[C@@H](C)OCCC(=O)O 5e9b30e37e8c265f10c7585c2f2ca95a [0,1,0,0,0,1|1,0,1]=4 461 B9R0.1 C#C[C@H](C)NCCC(=O)O cc5bdbda6a0b246c6e6e23c2baac79c5 [0,1,0,0,0,1|1,0,1]=4 462 B9R0.1 C#C[C@H](C)OCCC(=O)O 017cc2bf4609698c2e4663c93f9a5f21 [0,1,0,0,0,1|1,0,1]=4 463 B9R0.1 C/C(=C\I)/COCC(=O)N 1a1b55991a7179a52b24f87411e9aebf [0,1,0,0,0,1|2,0,0]=4 464 B9R0.1 C/C(=C\I)/COCC(=O)O f0d281ce2da52f078eed6df8efd49932 [0,1,0,0,0,1|1,0,0]=3 465 B9R0.1 C=C(Br)CNCC(=O)CC 150256356a16136a8096145cb197c058 [0,1,0,0,0,1|2,0,0]=4 466 B9R0.1 C=C(Br)CNCC(=O)CO 44f358271832378dfd42cc7de164809d [0,1,0,0,0,1|1,0,1]=4 467 B9R0.1 C=C(Br)CNCC(=O)NC 08e84835731645d21f721fcbead38841 [0,1,0,0,0,1|2,0,0]=4 468 B9R0.1 C=C(Br)CNCC(=O)NO 9688a4c213e3fd6a528cce3d6f79da30 [0,1,0,0,0,1|1,0,1]=4 469 B9R0.1 C=C(Br)CNCC(=O)OC fdab228507d1733658566d2550ee5bcc [0,1,0,0,0,1|1,0,1]=4 470 B9R0.1 C=C(Br)COCC(=O)CC eb6c1f54ccb0248628067314a1fba862 [0,1,0,0,0,1|2,0,0]=4 471 B9R0.1 C=C(Br)COCC(=O)NC e7d02dd5edd81aa898798ac7e27ed1bd [0,1,0,0,0,1|2,0,0]=4 472 B9R0.1 C=C(Br)COCC(=O)OC 7bb79987d0416fbb7eadaab1bb1c908f [0,1,0,0,0,1|1,0,1]=4 473 B9R0.1 C=C(C#N)CNCC(=O)C 1b8316744162f22df415cb76ab0faa26 [0,1,0,0,0,1|2,0,0]=4 474 B9R0.1 C=C(C#N)CNCC(=O)O 672bb05c1e20a547ddf6fbe9e3f72e96 [0,1,0,0,0,1|1,0,1]=4 475 B9R0.1 C=C(C#N)COCC(=O)C ccf54bc8c104aa56ef8c957c09dda714 [0,1,0,0,0,1|2,0,0]=4 476 B9R0.1 C=C(C#N)COCC(=O)O 73c9c4a6ad164f8104bc4671725ea448 [0,1,0,0,0,1|1,0,1]=4 477 B9R0.1 C=C(C)CCNC(=O)C=O 9148a6ce8e756b969aa569b20bbfa438 [0,1,0,0,0,1|1,0,1]=4 478 B9R0.1 C=C(C)CCNC(=O)CC c0849ae324a4527830c5955e89b51c09 [0,1,0,0,0,1|2,0,0]=4 479 B9R0.1 C=C(C)CCNC(=O)CF 97ec382c270aeae27367dc39d9406fa8 [0,1,0,0,0,1|2,0,0]=4 480 B9R0.1 C=C(C)CCNC(=O)CO 34d93ab5ed36ace089117a109aed2076 [0,1,0,0,0,1|1,0,0]=3 481 B9R0.1 C=C(C)CCNC(=O)CS 6ebbb9e0c66818fbcefaad3cd4c54622 [0,1,0,0,0,1|1,1,0]=4 482 B9R0.1 C=C(C)CCOC(=C)C=O b10ac3189addc0ee171c406d62724415 [0,1,0,0,0,1|2,0,0]=4 483 B9R0.1 C=C(C)CNCC(=C)CO 86f1fd371619625bbc8b27042644a9e5 [0,1,0,0,0,1|2,0,0]=4 484 B9R0.1 C=C(C)CNCC(=C)OC 28e608cc8dfe414d8c58c2c36c2ac099 [0,1,0,0,0,1|2,0,0]=4 485 B9R0.1 C=C(C)CNCC(=O)CC cd454918bf8eb86d4e5c362f8a3004ea [0,1,0,0,0,1|2,0,0]=4 486 B9R0.1 C=C(C)CNCC(=O)CO 247e9010bc9651cac50f307b86ba439e [0,1,0,0,0,1|1,0,0]=3 487 B9R0.1 C=C(C)CNCC(=O)NC fbde083ce8d8a2cff785f4d8c062baa1 [0,1,0,0,0,1|2,0,0]=4 488 B9R0.1 C=C(C)CNCC(=O)NO 6715f0dd461108561c9ed13517cd8037 [0,1,0,0,0,1|1,0,0]=3 489 B9R0.1 C=C(C)CNCC(=O)OC c333e980167d9fefdd828559eb49e425 [0,1,0,0,0,1|1,0,0]=3 490 B9R0.1 C=C(C)COCC(=C)OC 3af4b44923555d9ed756ea233d611a69 [0,1,0,0,0,1|2,0,0]=4 491 B9R0.1 C=C(C)COCC(=O)CC 99655a47b1d4e2a1598c06aa759ad9bc [0,1,0,0,0,1|2,0,0]=4 492 B9R0.1 C=C(C)COCC(=O)NC 5b65010df5794686ec07c4d328d5487e [0,1,0,0,0,1|2,0,0]=4 493 B9R0.1 C=C(C)COCC(=O)OC ef2f938506a463bb6101f9cac476c9e5 [0,1,0,0,0,1|1,0,0]=3 494 B9R0.1 C=C(C=O)OCCC(=O)C 97a9b3feed550bdad7937f32f13706da [0,1,0,0,0,1|1,0,0]=3 495 B9R0.1 C=C(C=O)OCCC(=O)N 2ae20a53c97b56e8bdaf756aa206d8b7 [0,1,0,0,0,1|1,0,1]=4 496 B9R0.1 C=C(C=O)OCCC(=O)O 35d50609715764246002b9771a442b1d [0,1,0,0,0,1|0,0,1]=3 497 B9R0.1 C=C(C=O)OCCS(=O)C 8cfa828e1edd3a0896237cf3bfb433bb [0,1,0,0,0,1|2,0,0]=4 498 B9R0.1 C=C(C=O)OCOC(=O)C 67e8655917f2709f8403cee780d51fab [0,1,0,0,0,1|2,0,0]=4 499 B9R0.1 C=C(CC)CNCC(=O)C 205628c3f1d4d54a613a330b5d6c2214 [0,1,0,0,0,1|2,0,0]=4 500 B9R0.1 C=C(CC)CNCC(=O)N 94b4243675063b97fbaab08b2e05f843 [0,1,0,0,0,1|2,0,0]=4 501 B9R0.1 C=C(CC)CNCC(=O)O 3494cd583a0b63f9a90da7dbe9a93496 [0,1,0,0,0,1|1,0,0]=3 502 B9R0.1 C=C(CC)COCC(=O)C f78ccdd12164ec1e55403e8a41ad2fdd [0,1,0,0,0,1|2,0,0]=4 503 B9R0.1 C=C(CC)COCC(=O)N 4f32e5a5255bcb5998807b1f2368f780 [0,1,0,0,0,1|2,0,0]=4 504 B9R0.1 C=C(CC)COCC(=O)O ee3b330f9d46b7ad6bddc2068ae1158b [0,1,0,0,0,1|1,0,0]=3 505 B9R0.1 C=C(CC)COCS(=O)O 7aab1649717de3c8233335d122bd8463 [0,1,0,0,0,1|2,0,0]=4 506 B9R0.1 C=C(CNCC(=O)C)OC b39ddd803e0868ca46809ac47789f196 [0,1,0,0,0,1|1,0,0]=3 507 B9R0.1 C=C(CNCC(=O)N)OC 5a61a7a2ffe7bedfa8684850229cedea [0,1,0,0,0,1|2,0,0]=4 508 B9R0.1 C=C(CNCC(=O)O)OC f4fd4a44109d7013bab3a36a299e88b2 [0,1,0,0,0,1|1,0,0]=3 509 B9R0.1 C=C(CO)CNCC(=O)C 6aaf3e64ab544f2cffc718c8c4bca482 [0,1,0,0,0,1|1,0,0]=3 510 B9R0.1 C=C(CO)CNCC(=O)N 69567cfbcf627928512e44ec5770bc34 [0,1,0,0,0,1|2,0,0]=4 511 B9R0.1 C=C(CO)CNCC(=O)O cc7acc22e8e7c17a96eec1e4e62087c5 [0,1,0,0,0,1|1,0,0]=3 512 B9R0.1 C=C(COCC(=O)C)OC 09928f8b08416c32c791a53bc763a5ea [0,1,0,0,0,1|1,0,0]=3 513 B9R0.1 C=C(COCC(=O)N)OC 93db4b3f325d7b5bd6e311d4c138792f [0,1,0,0,0,1|2,0,0]=4 514 B9R0.1 C=C(COCC(=O)O)OC f9327aabdff60543e9573117092b2bbe [0,1,0,0,0,1|1,0,0]=3 515 B9R0.1 C=C(COCS(=O)O)OC 883b10a84361427f6adb86d780b5cd03 [0,1,0,0,0,1|2,0,0]=4 516 B9R0.1 C=C(Cl)CNCC(=O)NC 152861beea6b818cf9df03f3d1919f03 [0,1,0,0,0,1|2,0,0]=4 517 B9R0.1 C=C(Cl)CNCC(=O)NO d27e8a0facab3d8ce85ad067a430b658 [0,1,0,0,0,1|1,0,1]=4 518 B9R0.1 C=C(Cl)CNCC(=O)OC 560a2c6b60f462dc680bd8d00682c5d0 [0,1,0,0,0,1|1,0,1]=4 519 B9R0.1 C=C(Cl)COCC(=O)CC 9e546e971efbf8afa86e84bd4b0a76c6 [0,1,0,0,0,1|2,0,0]=4 520 B9R0.1 C=C(Cl)COCC(=O)NC 230ffa0da377218041885b4abb393862 [0,1,0,0,0,1|2,0,0]=4 521 B9R0.1 C=C(Cl)COCC(=O)OC 504d35413c6dde3f70bc00d9c50efd19 [0,1,0,0,0,1|1,0,1]=4 522 B9R0.1 C=C(F)CNCC(=O)NC 7f2e166b390566bb676030ff490a42c7 [0,1,0,0,0,1|2,0,0]=4 523 B9R0.1 C=C(F)CNCC(=O)NO 4ddacb4dea8aaa73368d3750b46ece15 [0,1,0,0,0,1|1,0,1]=4 524 B9R0.1 C=C(F)CNCC(=O)OC 38b03005d15104b0ac50fda176f68a28 [0,1,0,0,0,1|1,0,1]=4 525 B9R0.1 C=C(F)COCC(=O)CC 27a27219b5c8690d7c76c9d1b13a65d9 [0,1,0,0,0,1|2,0,0]=4 526 B9R0.1 C=C(F)COCC(=O)NC 53af6750e34213653cf46bbf82cdc7f0 [0,1,0,0,0,1|2,0,0]=4 527 B9R0.1 C=C(F)COCC(=O)OC c0974ae63b493d16f1c408ca213ad4f4 [0,1,0,0,0,1|1,0,1]=4 528 B9R0.1 C=C(I)COCC(=O)CC d079345c815971c2e683dde0edb76165 [0,1,0,0,0,1|2,0,0]=4 529 B9R0.1 C=C(I)COCC(=O)NC 412748645d888e2d216b1eb24ec07b4c [0,1,0,0,0,1|2,0,0]=4 530 B9R0.1 C=C(I)COCC(=O)OC 9dd33c46b90e4223d80b0020a345db61 [0,1,0,0,0,1|1,0,1]=4 531 B9R0.1 C=CC(=O)NCCC(=C)C 290771122b4cd28b8f8ffeaa6a130b36 [0,1,0,0,0,1|2,0,0]=4 532 B9R0.1 C=CC(=O)NCCC(=O)N 83c75b2183749a44cf27f2d528697bd5 [0,1,0,0,0,1|1,0,1]=4 533 B9R0.1 C=CC(=O)NCCS(=O)C 03ebaf998a0c677f51713908fdfe604e [0,1,0,0,0,1|2,0,0]=4 534 B9R0.1 C=CC(=O)NCCS(=O)O bb70d292fff0aace27797bcb916fcbe0 [0,1,0,0,0,1|1,0,1]=4 535 B9R0.1 C=CC(C)COCC(=O)O b37de9a6da072d47f216f61c5cd125d6 [0,1,0,0,0,1|1,0,1]=4 536 B9R0.1 C=CC(C)NCCC(=O)O 79ff7d3cdb6746c9598fe1cfb61269b1 [0,1,0,0,0,1|1,0,1]=4 537 B9R0.1 C=CC(C)OCCC(=O)O 715e83dec8bd7b5ea255c0588e4ec66b [0,1,0,0,0,1|1,0,1]=4 538 B9R0.1 C=C[C@H](C)OCCC(=O)O 713b61bf87b3acb53853822b10178bd4 [0,1,0,0,0,1|1,0,1]=4 539 B9R0.1 CC(=CCNC(=O)CO)C 99de69a27f56e0717a5c36bd796a7f00 [0,1,0,0,0,1|1,0,1]=4 540 B9R0.1 CC(=CI)COCC(=O)N 96644c4ef7021f4266c6fa9ae9ad1056 [0,1,0,0,0,1|2,0,0]=4 541 B9R0.1 CC(=CI)COCC(=O)O d7f29fd9312a0373f092e69ba8eaa817 [0,1,0,0,0,1|1,0,0]=3 542 B9R0.1 CC(=O)CCNC(C)CO 01ba95f6b1e359cb3c703695e54af8f9 [0,1,0,0,0,1|1,0,1]=4 543 B9R0.1 CC(=O)CCN[C@@H](C)CO cfee917e546e694eb8cfec1ddb21f4ff [0,1,0,0,0,1|1,0,1]=4 544 B9R0.1 CC(=O)CCN[C@H](C)CO 6a8f8df3011cfcce7cd31192a422cdd8 [0,1,0,0,0,1|1,0,1]=4 545 B9R0.1 CC(=O)CCOC(C)C=O cb160a994c939e385607c4106d0006ba [0,1,0,0,0,1|1,0,1]=4 546 B9R0.1 CC(=O)CCO[C@H](C)C=O 0cefdf85f806832833faf787e48b718b [0,1,0,0,0,1|1,0,1]=4 547 B9R0.1 CC(=O)CNC/C(=C/Cl)/Cl c4877580805f9b1df810b73df6e61eb7 [0,1,0,0,0,1|2,0,0]=4 548 B9R0.1 CC(=O)CNCC(=O)CO a884728253f1dbd88805a142b0c876b6 [0,1,0,0,0,1|0,0,0]=2 549 B9R0.1 CC(=O)CNCC(C)CO 687573d47da7078f008452b6941cfbb6 [0,1,0,0,0,1|1,0,1]=4 550 B9R0.1 CC(=O)CNCC(O)CF dae4f209c6741610d562bfbe54fd9b4b [0,1,0,0,0,1|1,0,1]=4 551 B9R0.1 CC(=O)CNCC(O)CO 7df10622569579ec4e37135d617c20f8 [0,1,0,0,0,1|0,0,2]=4 552 B9R0.1 CC(=O)CNC[C@@H](C)CO 83d4361a5af389dd1a51e847e0c228db [0,1,0,0,0,1|1,0,1]=4 553 B9R0.1 CC(=O)CNC[C@@H](O)CO f38bd77162dcfb4e06fb2eb4600c9073 [0,1,0,0,0,1|0,0,2]=4 554 B9R0.1 CC(=O)CNC[C@H](C)CO 0c7d13a9c50e9968d7e5477a482d94c3 [0,1,0,0,0,1|1,0,1]=4 555 B9R0.1 CC(=O)CNC[C@H](O)CO 5a00c829e2ca3328b3583f6a763316af [0,1,0,0,0,1|0,0,2]=4 556 B9R0.1 CC(=O)COC/C(=C/Cl)/Cl 357af6f6e93c85928f0328ed62741bf7 [0,1,0,0,0,1|2,0,0]=4 557 B9R0.1 CC(=O)COCC(O)CO b5303e7df9e726b681ea5d404ed3bc97 [0,1,0,0,0,1|0,0,2]=4 558 B9R0.1 CC(=O)COC[C@@H](O)CO 78cf96cbedfae3de09518ee1c5c9b9f8 [0,1,0,0,0,1|0,0,2]=4 559 B9R0.1 CC(=O)COC[C@H](O)CO e9c68d561b4f4daa98b62962f8db89cb [0,1,0,0,0,1|0,0,2]=4 560 B9R0.1 CC(=O)NCCC(=O)NO 7869db29b1010d2c8be4de04860ee1c2 [0,1,0,0,0,1|0,0,0]=2 561 B9R0.1 CC(=O)NCCC(C)CO bebfc27f0403b0ff17a662d28cff0e43 [0,1,0,0,0,1|1,0,1]=4 562 B9R0.1 CC(=O)NCCC(O)CO 6dba80410c8d6e60b084a12c9a16e519 [0,1,0,0,0,1|0,0,2]=4 563 B9R0.1 CC(=O)NCC[C@@H](C)CO caf7a94637e8711be8cab6e4c356b0b6 [0,1,0,0,0,1|1,0,1]=4 564 B9R0.1 CC(C#N)CNCC(=O)O 690b9c42e94c9bde7fbf2cdbf8d4eca2 [0,1,0,0,0,1|1,0,1]=4 565 B9R0.1 CC(C#N)COCC(=O)O 5e1e962d1c3a873fc728b08a62a84674 [0,1,0,0,0,1|1,0,1]=4 566 B9R0.1 CC(C#N)NCCC(=O)O a71e77ce50f1b855f7d576c5d6f6289e [0,1,0,0,0,1|1,0,1]=4 567 B9R0.1 CC(C)CCNC(=O)CO fccf2f1416923531307bedc30f22484d [0,1,0,0,0,1|1,0,1]=4 568 B9R0.1 CC(C)CNCC(=O)CO ee418b1e31d09b89331f9ca774457c43 [0,1,0,0,0,1|1,0,1]=4 569 B9R0.1 CC(C)CNCC(=O)NO 135c365afbac52555b37c8c2533721ab [0,1,0,0,0,1|1,0,1]=4 570 B9R0.1 CC(C)NCCC(=O)NO 82d2f393212433db94ed45a332a78d9e [0,1,0,0,0,1|1,0,1]=4 571 B9R0.1 CC(C=O)NCCC(=O)N 0a497b65732dd54e85210165ecae12a6 [0,1,0,0,0,1|1,0,1]=4 572 B9R0.1 CC(C=O)NCCC(=O)O c047f24fc3d15f3badbf76260054cc9f [0,1,0,0,0,1|0,0,1]=3 573 B9R0.1 CC(C=O)NCCS(=O)O 6315fcac9ac91eb3ba34381bd1615fc2 [0,1,0,0,0,1|1,0,1]=4 574 B9R0.1 CC(C=O)OCCC(=O)N 723758d0da03869338ad7f140180561f [0,1,0,0,0,1|1,0,1]=4 575 B9R0.1 CC(C=O)OCCC(=O)O 056bb2d7d93cc893e2815e75c928f63b [0,1,0,0,0,1|0,0,1]=3 576 B9R0.1 CC(CF)OCCC(=O)O e6767e000962bf0da8753ce7298bf1cf [0,1,0,0,0,1|1,0,1]=4 577 B9R0.1 CC(CO)CNCC(=O)O 545002bd59f1a831ceb97793e95beb08 [0,1,0,0,0,1|0,0,2]=4 578 B9R0.1 CC(CO)NCCC(=O)O 7af196631507732ccee08e53dff47c19 [0,1,0,0,0,1|0,0,2]=4 579 B9R0.1 CC(O)CCNC(=O)CF 7c4df54bb4c03e0cfed039993eb83c4a [0,1,0,0,0,1|1,0,1]=4 580 B9R0.1 CC(O)CCNC(=O)CO bea318e52af2faf0abfc14754050cafc [0,1,0,0,0,1|0,0,2]=4 581 B9R0.1 CC(O)CCNC(=O)CS c0d269a5f96db7c36bd65f277c5f2e77 [0,1,0,0,0,1|1,0,1]=4 582 B9R0.1 CC(O)CNCC(=O)CO 6b4b0f5a2695c38dccc74856e24bd074 [0,1,0,0,0,1|0,0,2]=4 583 B9R0.1 CC(O)CNCC(=O)NO 6e73041981f85b6af4f7ae6484b1fe5b [0,1,0,0,0,1|0,0,2]=4 584 B9R0.1 CCC(=O)CNCC(=O)C 938d73b249bc6dd4594641d324714cb6 [0,1,0,0,0,1|1,0,0]=3 585 B9R0.1 CCC(=O)CNCC(=O)N b1f11e2d5f5ee8c4d027ab9d5809c520 [0,1,0,0,0,1|1,0,0]=3 586 B9R0.1 CCC(=O)CNCC(=O)O 7018cc82507b5cf3388be4a1b0a3b91b [0,1,0,0,0,1|0,0,0]=2 587 B9R0.1 CCC(=O)CNCC(C)O a20b1e849513a8941047bd9c440c4344 [0,1,0,0,0,1|1,0,1]=4 588 B9R0.1 CCC(=O)CNC[C@@H](C)O 2e3fedb1efa9f0f66bc486911a9f8e3a [0,1,0,0,0,1|1,0,1]=4 589 B9R0.1 CCC(=O)CNC[C@H](C)O 61f52c4a5ade0238ce10614525e75211 [0,1,0,0,0,1|1,0,1]=4 590 B9R0.1 CCC(=O)COCC(=O)C c66cb35c51394e114e947994917edf5c [0,1,0,0,0,1|1,0,0]=3 591 B9R0.1 CCC(=O)COCC(=O)N 4d32515e208c3a78476e0dfcc1e32b89 [0,1,0,0,0,1|1,0,0]=3 592 B9R0.1 CCC(=O)COCC(=O)O 1a72a234de91ee3fa394daead68a119d [0,1,0,0,0,1|0,0,0]=2 593 B9R0.1 CCC(=O)COCC(=S)N bc9043edee8ccaefa6b943002e0ae8a1 [0,1,0,0,0,1|1,1,0]=4 594 B9R0.1 CCC(=O)COCS(=O)O 98632b158ffaf2399404c1c73005ee05 [0,1,0,0,0,1|1,0,0]=3 595 B9R0.1 CCC(=O)COC[N+](=O)[O-] 4de3051696188d5a78bf7bcb28313f91 [0,1,0,0,0,1|1,0,1]=4 596 B9R0.1 CCC(=O)NCCC(=O)N 17f638fb9136d22630942c7277f78330 [0,1,0,0,0,1|1,0,0]=3 597 B9R0.1 CCC(=O)NCCC(=S)N f02d123a248901075645d1862f20968f [0,1,0,0,0,1|1,1,0]=4 598 B9R0.1 CCC(=O)NCCC(C)O 2aec2e6bb9fbc54ce13f19b2630a008a [0,1,0,0,0,1|1,0,1]=4 599 B9R0.1 CCC(=O)NCCS(=O)C 0a43abd0c9593f06f1b54bc82efd02c1 [0,1,0,0,0,1|2,0,0]=4 600 B9R0.1 CCC(=O)NCCS(=O)O 47bf6ac1d2cd1854145b39436f351711 [0,1,0,0,0,1|1,0,0]=3 601 B9R0.1 CCC(=O)NCC[C@@H](C)O dc1da85b4b434a8327a030b4b9c29cc5 [0,1,0,0,0,1|1,0,1]=4 602 B9R0.1 CCC(=O)NCC[C@H](C)O e060f68859aae796ceb23995e0446069 [0,1,0,0,0,1|1,0,1]=4 603 B9R0.1 CCC(C)CNCC(=O)O 87c69323a9e1a04a6ee6d76377703b82 [0,1,0,0,0,1|1,0,1]=4 604 B9R0.1 CCC(C)COCC(=O)O 1a5759c434f27c176d5bad2fa82f04ef [0,1,0,0,0,1|1,0,1]=4 605 B9R0.1 CCC(C)NCCC(=O)O a58859ee191bb6759b209bcd54bebe4e [0,1,0,0,0,1|1,0,1]=4 606 B9R0.1 CCC(C)OCCC(=O)O 861df1c98ebd5a3521ba6de3206bc80e [0,1,0,0,0,1|1,0,1]=4 607 B9R0.1 CCC(O)CNCC(=O)C ede59564767224e151ba36bea1af43f8 [0,1,0,0,0,1|1,0,1]=4 608 B9R0.1 CCC(O)CNCC(=O)O 03d5356d375bf79d740c17da46436b7f [0,1,0,0,0,1|0,0,2]=4 609 B9R0.1 CCN(C)CCCC(=O)O 95bc41ded99741417784aba721ce87aa [0,1,0,0,0,1|2,0,0]=4 610 B9R0.1 CC[C@@H](C)CNCC(=O)O 98f2dd2d2950413d052b4cb7e53dbe2b [0,1,0,0,0,1|1,0,1]=4 611 B9R0.1 CC[C@@H](C)COCC(=O)O 8b143e0422b6a9e950b67a2c284bdd65 [0,1,0,0,0,1|1,0,1]=4 612 B9R0.1 CC[C@@H](C)NCCC(=O)O 1e341985822ae038516e7d3d57e3d5f1 [0,1,0,0,0,1|1,0,1]=4 613 B9R0.1 CC[C@@H](C)OCCC(=O)O 460df0b016032744699dec10515440f9 [0,1,0,0,0,1|1,0,1]=4 614 B9R0.1 CC[C@@H](O)CNCC(=O)O 03733baf1864df61afe14ccbe323ed3e [0,1,0,0,0,1|0,0,2]=4 615 B9R0.1 CC[C@H](C)CNCC(=O)O 3004fae72bd867afedf99bbbfea959f0 [0,1,0,0,0,1|1,0,1]=4 616 B9R0.1 CC[C@H](C)COCC(=O)O d94c701382e65cef3df369dbbe944763 [0,1,0,0,0,1|1,0,1]=4 617 B9R0.1 CC[C@H](C)NCCC(=O)O 9ce7a4b5931e874b441152425137209a [0,1,0,0,0,1|1,0,1]=4 618 B9R0.1 CC[C@H](C)OCCC(=O)O 8aec70cd34e530a63d290d1ba3130012 [0,1,0,0,0,1|1,0,1]=4 619 B9R0.1 CN(C)CCNC(=O)CO dea4c98f6a4d3fbcbf88cdb0e163e84f [0,1,0,0,0,1|2,0,0]=4 620 B9R0.1 CN(C)CNCC(=O)NO a3ade7df16dbcd771b06a73f3e12e552 [0,1,0,0,0,1|2,0,0]=4 621 B9R0.1 CN(C=O)CCCC(=O)N 1039857edbd9480a91f0e32a53a7887d [0,1,0,0,0,1|2,0,0]=4 622 B9R0.1 CN(CF)CCCC(=O)O ca2d2af989107fbb2003dee075ad73ef [0,1,0,0,0,1|2,0,0]=4 623 B9R0.1 CN(CO)CCCC(=O)O 15d2d5e0a3745bcbc8af1be8c111eca1 [0,1,0,0,0,1|1,0,1]=4 624 B9R0.1 CNC(=O)CCNC(=O)C f3a3033dad8e1aab7fc770fc0743d310 [0,1,0,0,0,1|1,0,0]=3 625 B9R0.1 CNC(=O)CNCC(=O)C 9553722055197c716954dc86f447aeb4 [0,1,0,0,0,1|1,0,0]=3 626 B9R0.1 CNC(=O)CNCC(=O)N dc243ee2dcc2b9e9a11a36792c87d23d [0,1,0,0,0,1|1,0,0]=3 627 B9R0.1 CNC(=O)CNCC(=O)O 85a5f672fadbc6f9ef6de9a2a956af16 [0,1,0,0,0,1|0,0,0]=2 628 B9R0.1 CNC(=O)CNCC(C)O a28ef65677ab53cd6c02da4523df1161 [0,1,0,0,0,1|1,0,1]=4 629 B9R0.1 CNC(=O)CNC[C@@H](C)O efcf8ffc667f53fed279c5d7a3af9870 [0,1,0,0,0,1|1,0,1]=4 630 B9R0.1 CNC(=O)CNC[C@H](C)O 0c060a0a690e256b06eead82b2ad4d1e [0,1,0,0,0,1|1,0,1]=4 631 B9R0.1 CNC(=O)CNC[N+](=O)[O-] 1eeb1a5c9af5cc76f12fbb7cf33b2b9d [0,1,0,0,0,1|1,0,1]=4 632 B9R0.1 CNC(=O)COCC(=O)C ff89b93418e37b61debdb32dce14d587 [0,1,0,0,0,1|1,0,0]=3 633 B9R0.1 CNC(=O)COCC(=O)N dc209203f036a43d165bfc4ce57d5629 [0,1,0,0,0,1|1,0,0]=3 634 B9R0.1 CNC(=O)COCC(=O)O 006fa27b5ff6a2a3b9b7bdadb3a8cf78 [0,1,0,0,0,1|0,0,0]=2 635 B9R0.1 CNC(=O)COCC(=S)N 8835a6c19d8df2c7d1dc6a8bac2757f5 [0,1,0,0,0,1|1,1,0]=4 636 B9R0.1 CNC(=O)COCS(=O)O cfdcda0dcc3032ef712a643f4ba532be [0,1,0,0,0,1|1,0,0]=3 637 B9R0.1 CNC(=O)COC[N+](=O)[O-] 7b4c05a1223c0770f79fb1c650910480 [0,1,0,0,0,1|1,0,1]=4 638 B9R0.1 COC(=O)CCNC(=O)C e469e5b7d171861926dc52d0d008b43a [0,1,0,0,0,1|0,0,0]=2 639 B9R0.1 COC(=O)CCNC(C)C cca84c56a4f78d735d44ac567d8c7043 [0,1,0,0,0,1|1,0,1]=4 640 B9R0.1 COC(=O)CCOC(C)C 60b3b0e4ed197bd9b785527450b784a6 [0,1,0,0,0,1|1,0,1]=4 641 B9R0.1 COC(=O)CNCC(=O)C 2ffbe56641f2b1b2f85d79518ab23ece [0,1,0,0,0,1|0,0,0]=2 642 B9R0.1 COC(=O)CNCC(=O)N 9163aa512c5802909ed25b2031da4389 [0,1,0,0,0,1|1,0,0]=3 643 B9R0.1 COC(=O)CNCC(=O)O d413351b1bd64263dc30d4f78e9bad17 [0,1,0,0,0,1|0,0,0]=2 644 B9R0.1 COC(=O)CNCC(C)C f4529cfb679f9748b0c64270201236cc [0,1,0,0,0,1|1,0,1]=4 645 B9R0.1 COC(=O)CNCC(C)O 59a9a5fa9940991101df2294ecedabe2 [0,1,0,0,0,1|0,0,2]=4 646 B9R0.1 COC(=O)CNCN(C)C 0a2496fcd2e1da81aae705ca0c36b384 [0,1,0,0,0,1|2,0,0]=4 647 B9R0.1 COC(=O)CNC[C@@H](C)O c0520f27f33031c361272483aa523927 [0,1,0,0,0,1|0,0,2]=4 648 B9R0.1 COC(=O)CNC[C@H](C)O 0c585f1f65c56fea600dec50df736a15 [0,1,0,0,0,1|0,0,2]=4 649 B9R0.1 COC(=O)CNC[N+](=O)[O-] 3550e6deda1b83c4a6f2e5056eddfcc5 [0,1,0,0,0,1|1,0,1]=4 650 B9R0.1 COC(=O)COCC(=O)C c6badf6770087930f6d233ff5221dfc5 [0,1,0,0,0,1|0,0,0]=2 651 B9R0.1 COC(=O)COCC(=O)N 2e55244adc2571962e17fc15e71f3607 [0,1,0,0,0,1|1,0,0]=3 652 B9R0.1 COC(=O)COCC(=O)O ffa9d3a5a545c2957a369e509906e94d [0,1,0,0,0,1|0,0,0]=2 653 B9R0.1 COC(=O)COCC(=S)N 074e27d2fc4b353e3abd9e34b073cda7 [0,1,0,0,0,1|1,1,0]=4 654 B9R0.1 COC(=O)COCC(C)C 4b1318611fb3f76585445eae1c414e70 [0,1,0,0,0,1|1,0,1]=4 655 B9R0.1 COC(=O)COCC(C)F ded48f7273675c40dff9df77741fd995 [0,1,0,0,0,1|1,0,1]=4 656 B9R0.1 COC(=O)COCC(C)S 972eb2e1b84baea6663e77547a586ced [0,1,0,0,0,1|0,1,1]=4 657 B9R0.1 COC(=O)COCN(C)C 68a7b0498b06764e3116c56a23a606fe [0,1,0,0,0,1|2,0,0]=4 658 B9R0.1 COC(=O)COCS(=O)O 312ba3021bfe796259121a8421f51d8c [0,1,0,0,0,1|1,0,0]=3 659 B9R0.1 COC(=O)COC[C@@H](C)F 2c354a5e8fdd5505f4e964176d19fdb9 [0,1,0,0,0,1|1,0,1]=4 660 B9R0.1 COC(=O)COC[C@H](C)F 6ebc6b533639ba961e85b641e67b20d7 [0,1,0,0,0,1|1,0,1]=4 661 B9R0.1 COC(=O)COC[N+](=O)[O-] ad5c4877c2121979a002df98934a7c85 [0,1,0,0,0,1|1,0,1]=4 662 B9R0.1 COC(C)CNCC(=O)C a496551dd3631b02d91d02c1cf1f9a01 [0,1,0,0,0,1|1,0,1]=4 663 B9R0.1 COC(C)CNCC(=O)O dbf8e5faee7152132e5d4bb3bd4e4843 [0,1,0,0,0,1|0,0,2]=4 664 B9R0.1 COC(C)COCC(=O)C 3142f37743266362b2effa0bced7ba98 [0,1,0,0,0,1|1,0,1]=4 665 B9R0.1 COC(C)COCC(=O)O 80e727ea49a776af207e2b913ddb7306 [0,1,0,0,0,1|0,0,2]=4 666 B9R0.1 CO[C@@H](C)CNCC(=O)C 7198624c11de30df71b09e1e81cad62d [0,1,0,0,0,1|1,0,1]=4 667 B9R0.1 CO[C@@H](C)CNCC(=O)O 65dd78747dc8a0d82266cff86cc9f8ee [0,1,0,0,0,1|0,0,2]=4 668 B9R0.1 CO[C@@H](C)COCC(=O)C 8fa47a19787c56e3041f0099c3b9f382 [0,1,0,0,0,1|1,0,1]=4 669 B9R0.1 CO[C@@H](C)COCC(=O)O a1f6e6081969a90d511bdcf1d36c7fb3 [0,1,0,0,0,1|0,0,2]=4 670 B9R0.1 CO[C@H](C)CNCC(=O)C 8d7b3f7b6bbe18398470ba66d5033f7d [0,1,0,0,0,1|1,0,1]=4 671 B9R0.1 CO[C@H](C)CNCC(=O)O 84e5827c180a6cfe438de358774cfb15 [0,1,0,0,0,1|0,0,2]=4 672 B9R0.1 CO[C@H](C)COCC(=O)C 925cd39e23e3c2b6a4f7853c64166350 [0,1,0,0,0,1|1,0,1]=4 673 B9R0.1 CO[C@H](C)COCC(=O)O 1bc7d85404b0152996a2e6730e1ced0b [0,1,0,0,0,1|0,0,2]=4 674 B9R0.1 CS(=O)CCNC(=O)C=O 7830c85f33fa3012be2e77975f62a5ea [0,1,0,0,0,1|1,0,1]=4 675 B9R0.1 CS(=O)CCNC(=O)CF ab539bc38ae8a9c9be7e6d441be10562 [0,1,0,0,0,1|2,0,0]=4 676 B9R0.1 CS(=O)CCNC(=O)CO c0a16e6dcacf7f42146bfd165cf68c28 [0,1,0,0,0,1|1,0,0]=3 677 B9R0.1 CS(=O)CCNC(=O)CS 0e1f806875fbfc22bf342571e65a438f [0,1,0,0,0,1|1,1,0]=4 678 B9R0.1 C[C@@H](CO)CNCC(=O)O f57e9d31ced751b25fdd665565e647c4 [0,1,0,0,0,1|0,0,2]=4 679 B9R0.1 C[C@@H](CO)NCCC(=O)O b5ac644d36a232bdd1950d74e0718263 [0,1,0,0,0,1|0,0,2]=4 680 B9R0.1 C[C@@H](O)CCNC(=O)CF 9cc194dd6bae57ed21d1c6a3807cb763 [0,1,0,0,0,1|1,0,1]=4 681 B9R0.1 C[C@@H](O)CCNC(=O)CO 0f403648615901397e48f6d9f0579495 [0,1,0,0,0,1|0,0,2]=4 682 B9R0.1 C[C@@H](O)CCNC(=O)CS 5041dae96f818c0eb7fcd213a28aa8a7 [0,1,0,0,0,1|1,0,1]=4 683 B9R0.1 C[C@@H](O)CNCC(=O)CO c4b1bfbab60225c4c1c90acf845e538d [0,1,0,0,0,1|0,0,2]=4 684 B9R0.1 C[C@@H](O)CNCC(=O)NO 46b237d24ec9cc50d6b1a995633af109 [0,1,0,0,0,1|0,0,2]=4 685 B9R0.1 C[C@H](C=O)NCCC(=O)N 57a3c92d9100fb4c15bb11d07cab3b3b [0,1,0,0,0,1|1,0,1]=4 686 B9R0.1 C[C@H](C=O)NCCC(=O)O 568b307ebcb4ab5b4df113dd91c9a6dc [0,1,0,0,0,1|0,0,1]=3 687 B9R0.1 C[C@H](C=O)NCCS(=O)O 16c57c2a89c360c6e6357bad716217cd [0,1,0,0,0,1|1,0,1]=4 688 B9R0.1 C[C@H](C=O)OCCC(=O)N 6c390f4a6745397018a94d322ce456f3 [0,1,0,0,0,1|1,0,1]=4 689 B9R0.1 C[C@H](C=O)OCCC(=O)O 6123759046df411af3794a1ca6644131 [0,1,0,0,0,1|0,0,1]=3 690 B9R0.1 C[C@H](CO)CNCC(=O)O ce3fe074090d41b3d881458baf420cde [0,1,0,0,0,1|0,0,2]=4 691 B9R0.1 C[C@H](CO)NCCC(=O)O a31ff9e016b023eff4f0af52b348f8ec [0,1,0,0,0,1|0,0,2]=4 692 B9R0.1 C[C@H](O)CCNC(=O)CF dccbd1b5eb2b603c877a00069e3b10a6 [0,1,0,0,0,1|1,0,1]=4 693 B9R0.1 C[C@H](O)CCNC(=O)CO c73ce75cfe06fe5a627e4cd5009891c1 [0,1,0,0,0,1|0,0,2]=4 694 B9R0.1 C[C@H](O)CCNC(=O)CS c3c8ad3bd970fc3ad723d2f4eede6a9b [0,1,0,0,0,1|1,0,1]=4 695 B9R0.1 C[C@H](O)CNCC(=O)CO fdb7bd0552475296e5cbc57855b89671 [0,1,0,0,0,1|0,0,2]=4 696 B9R0.1 C[C@H](O)CNCC(=O)NO c352129f10875414666752fe0d29f814 [0,1,0,0,0,1|0,0,2]=4 697 B9R0.1 NC(=O)CCNC(=O)C=O 80872e569e858b24db710345dc4b6591 [0,1,0,0,0,1|1,0,1]=4 698 B9R0.1 NC(=O)CCNC(=O)CF 5ba9803b3f58c21cd9f08d27be2ab1ba [0,1,0,0,0,1|1,0,0]=3 699 B9R0.1 NC(=O)CCNC(=O)CO 5172be9062702a142cc19e2483b96198 [0,1,0,0,0,1|1,0,0]=3 700 B9R0.1 NC(=O)CCNC(=O)CS 2fe1d732c0537625a14477e9fbdf6ffa [0,1,0,0,0,1|1,0,0]=3 701 B9R0.1 NC(=O)CNCC(=O)CO 4ff4e9de75d3f61e3304abcc2e0ca09a [0,1,0,0,0,1|1,0,0]=3 702 B9R0.1 NC(=O)CNCC(=O)NO 30fa687bd499f8f43cc23c558088adf6 [0,1,0,0,0,1|1,0,0]=3 703 B9R0.1 NC(=S)CCNC(=O)CF 4cf730a458f4ac7346cc54af285d82b1 [0,1,0,0,0,1|1,1,0]=4 704 B9R0.1 NC(=S)CCNC(=O)CO 8b0e8facecba44a6a929982fe7df6816 [0,1,0,0,0,1|1,1,0]=4 705 B9R0.1 NC(=S)CCNC(=O)CS 2f6702ddf347233eb38ffe1d41cfb3a9 [0,1,0,0,0,1|1,1,0]=4 706 B9R0.1 O=C(CF)NCCS(=O)O f6ca8e03e2da3150852cfa5cc8f03146 [0,1,0,0,0,1|1,0,0]=3 707 B9R0.1 O=C(CNC[N+](=O)[O-])NO 4e0719129e3ce304b49e98dc345d74f4 [0,1,0,0,0,1|2,0,0]=4 708 B9R0.1 O=C(CO)NCCS(=O)O 76d39b86c6bcc56fa85783a1b981cfd5 [0,1,0,0,0,1|1,0,0]=3 709 B9R0.1 O=C(CS)NCCS(=O)O b835c310d0b5190a6c17d4d14c9b78d2 [0,1,0,0,0,1|1,0,0]=3 710 B9R0.1 O=C(O)CNC/C(=C/Cl)/Cl 2351f3c7e5b766eef8a4406262d2cb31 [0,1,0,0,0,1|1,0,1]=4 711 B9R0.1 O=C(O)CNCC(=O)CO 67ffc001715ccd674ca2190fd74d727d [0,1,0,0,0,1|0,0,0]=2 712 B9R0.1 O=C(O)CNCC(=O)NO f079cb1525909f20017391ae2500bf2e [0,1,0,0,0,1|1,0,0]=3 713 B9R0.1 O=C(O)CNCC(Br)CBr ef99ec62c4dafd35d1f7c73687c4dec8 [0,1,0,0,0,1|1,0,1]=4 714 B9R0.1 O=C(O)CNCC(F)CO 85480065cb6f22ce4951c43a5529025b [0,1,0,0,0,1|1,0,1]=4 715 B9R0.1 O=C(O)CNCC(O)CF 7fd10536ea2bd1a0c281f0149c46efaf [0,1,0,0,0,1|0,0,2]=4 716 B9R0.1 O=C(O)CNCC(O)CO 5f4a685d53a0215015208fab45cb0871 [0,1,0,0,0,1|0,0,2]=4 717 B9R0.1 O=C(O)CNC[C@@H](F)CO b256d92caab1484241eb0944f0d426c8 [0,1,0,0,0,1|1,0,1]=4 718 B9R0.1 O=C(O)CNC[C@@H](O)CO 2e94e974e33de52da795c25edb2b7b46 [0,1,0,0,0,1|0,0,2]=4 719 B9R0.1 O=C(O)CNC[C@H](F)CO 88b9d73cd1b06b779c0e456bbf2e093b [0,1,0,0,0,1|1,0,1]=4 720 B9R0.1 O=C(O)CNC[C@H](O)CO 54e6a925352e55eb05de7ec2030c642a [0,1,0,0,0,1|0,0,2]=4 721 B9R0.1 O=C(O)COC/C(=C/Cl)/Cl 592ff631fc62ccda44da5761ef06dd70 [0,1,0,0,0,1|1,0,1]=4 722 B9R0.1 O=C(O)COCC(Br)CBr c9888022ccc9e04c0d413c09e25a4398 [0,1,0,0,0,1|1,0,1]=4 723 B9R0.1 O=C(O)COCC(Cl)CCl 994d616ba6176a710bbd4f21d078567d [0,1,0,0,0,1|1,0,1]=4 724 B9R0.1 O=C(O)COCC(O)CO 250d3f6a92b33993adc8c4afdc32ab2a [0,1,0,0,0,1|0,0,2]=4 725 B9R0.1 O=C(O)COCC(S)CS b6b6009a9d63c8f64670de6b0713a6af [0,1,0,0,0,1|0,1,1]=4 726 B9R0.1 O=C(O)COC[C@@H](O)CO 60e0a11559d7478c0b36eb2f406dfa86 [0,1,0,0,0,1|0,0,2]=4 727 B9R0.1 O=C(O)COC[C@H](O)CO 846143e05728715a8a55aff47672ac25 [0,1,0,0,0,1|0,0,2]=4 728 B9R0.1 O=CC(=O)NCCS(=O)O 0ec279c35f878409a65eb31c058b5a70 [0,1,0,0,0,1|1,0,1]=4 729 B9R0.7 C=C(Br)CNC(C)C(=O)C e5b6faacca6cac74c8a0f65a4073b45e [0,1,0,0,0,1|2,0,0]=4 730 B9R0.7 C=C(Br)CNC(C)C(=O)O 4b4b833b0923408e022a05775b239322 [0,1,0,0,0,1|1,0,1]=4 731 B9R0.7 C=C(Br)CNC(O)C(=O)O 2b46230f8f2eb6f3ae5bb80abde56ea4 [0,1,0,0,0,1|1,0,1]=4 732 B9R0.7 C=C(Br)CN[C@@H](C)C(=O)O c90358467ea0b56e6c191c6df9f74b1f [0,1,0,0,0,1|1,0,1]=4 733 B9R0.7 C=C(Br)CN[C@H](C)C(=O)O d8adcc4e0215fdbc5391473a8aa71ebc [0,1,0,0,0,1|1,0,1]=4 734 B9R0.7 C=C(Br)COC(C)C(=O)C cbe3625ae2761a033c48094b5057b017 [0,1,0,0,0,1|2,0,0]=4 735 B9R0.7 C=C(C)CNC(C)C(=O)C ba902c8c453edf6ed16b9e43d5cc3444 [0,1,0,0,0,1|2,0,0]=4 736 B9R0.7 C=C(C)CNC(C)C(=O)N 0ee70db62d5cb05efb86b225e6750084 [0,1,0,0,0,1|2,0,0]=4 737 B9R0.7 C=C(C)CNC(C)C(=O)O 71c7739e8b991e4abf0435840a700d0a [0,1,0,0,0,1|1,0,0]=3 738 B9R0.7 C=C(C)CNC(F)C(=O)N 1d5edccf5de6b2423ccad2b386ece719 [0,1,0,0,0,1|2,0,0]=4 739 B9R0.7 C=C(C)CNC(O)C(=O)O 94b0a208e5c50adf06a4627f23c6b8af [0,1,0,0,0,1|1,0,0]=3 740 B9R0.7 C=C(C)CN[C@@H](C)C(=O)N 82de9d76949c88e9733dd040e2b1231c [0,1,0,0,0,1|2,0,0]=4 741 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O e7bfbf33da3040405841b806d36ec309 [0,1,0,0,0,1|1,0,0]=3 742 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 844c5f37e1a94a8b35172521f47a8a23 [0,1,0,0,0,1|2,0,0]=4 743 B9R0.7 C=C(C)CN[C@H](C)C(=O)O cd53bb67574651329e24959a91da937e [0,1,0,0,0,1|1,0,0]=3 744 B9R0.7 C=C(C)COC(C)C(=O)C a9624bc15e55dae782589a6cc8163e2f [0,1,0,0,0,1|2,0,0]=4 745 B9R0.7 C=C(C)COC(C)C(=O)N 37ad684549bc59ea0f9760911abb3d1e [0,1,0,0,0,1|2,0,0]=4 746 B9R0.7 C=C(C)COC(C)C(=O)O ed04993e273c116d7e5f18b49ab43ad1 [0,1,0,0,0,1|1,0,0]=3 747 B9R0.7 C=C(C)CO[C@@H](C)C(=O)N 08fdaf758750dde7bbb69edc3c1adafe [0,1,0,0,0,1|2,0,0]=4 748 B9R0.7 C=C(C)CO[C@@H](C)C(=O)O a50f171d31d69d7b32f91370f5a6fc24 [0,1,0,0,0,1|1,0,0]=3 749 B9R0.7 C=C(C)CO[C@H](C)C(=O)N f7e49aad462fc678336c75951cf3abf1 [0,1,0,0,0,1|2,0,0]=4 750 B9R0.7 C=C(C)CO[C@H](C)C(=O)O c708914884c2538adc7cf2cddac67a9b [0,1,0,0,0,1|1,0,0]=3 751 B9R0.7 C=C(Cl)CNC(C)C(=O)O 02718e80e93fe98eb1ff5478307d6c36 [0,1,0,0,0,1|1,0,1]=4 752 B9R0.7 C=C(Cl)CNC(O)C(=O)O 45c573a0278d95c52970c36ba147177f [0,1,0,0,0,1|1,0,1]=4 753 B9R0.7 C=C(Cl)CN[C@@H](C)C(=O)O 37f8e6538c7ee1a3cbee956899fb12c5 [0,1,0,0,0,1|1,0,1]=4 754 B9R0.7 C=C(Cl)CN[C@H](C)C(=O)O 42e250ec14ba01035d59dbf8319004fa [0,1,0,0,0,1|1,0,1]=4 755 B9R0.7 C=C(Cl)COC(C)C(=O)C 50bf31c54efb460298c719b63a32121e [0,1,0,0,0,1|2,0,0]=4 756 B9R0.7 C=C(Cl)COC(C)C(=O)O 26f257e38ca3714915ce59cd8bb66d72 [0,1,0,0,0,1|1,0,1]=4 757 B9R0.7 C=C(Cl)CO[C@@H](C)C(=O)O 995e458269b8e2aae8fa9540c89458c7 [0,1,0,0,0,1|1,0,1]=4 758 B9R0.7 C=C(Cl)CO[C@H](C)C(=O)O a0d5dabcab99774054f62d770ba3fbae [0,1,0,0,0,1|1,0,1]=4 759 B9R0.7 C=C(F)CNC(C)C(=O)O 5561b129a7713849bedffff3fa68eced [0,1,0,0,0,1|1,0,1]=4 760 B9R0.7 C=C(F)CNC(O)C(=O)O e9bfcfac9d1bdc85a515e0ebd8b4d7d8 [0,1,0,0,0,1|1,0,1]=4 761 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 0d1198cdf44620e161e507566e03c846 [0,1,0,0,0,1|1,0,1]=4 762 B9R0.7 C=C(F)CN[C@H](C)C(=O)O 2d73552c9ce59fea30b19426f027d96b [0,1,0,0,0,1|1,0,1]=4 763 B9R0.7 C=C(F)COC(C)C(=O)C 2739616b392cb0cd3b6547a307b699d2 [0,1,0,0,0,1|2,0,0]=4 764 B9R0.7 C=C(I)COC(C)C(=O)C 19ccaec78b430950388f30a4d63615fb [0,1,0,0,0,1|2,0,0]=4 765 B9R0.7 CC(=O)C(=O)NCC(=O)N 265792f446b39d85ab8aa40029e38320 [0,1,0,0,0,1|1,0,1]=4 766 B9R0.7 CC(=O)C(C)NCC(=O)N 4669ff9f06ec48bd99983da9d189670a [0,1,0,0,0,1|1,0,0]=3 767 B9R0.7 CC(=O)C(C)NCC(=O)O 71016da385f2899dc86054b0d9f13d55 [0,1,0,0,0,1|0,0,0]=2 768 B9R0.7 CC(=O)C(C)NCC(C)O 356fd4969f309cd17504ab4716b94b6b [0,1,0,0,0,1|1,0,1]=4 769 B9R0.7 CC(=O)C(C)NC[C@@H](C)O 4d15f3f2bfa0fb88c4597ad63dd7383a [0,1,0,0,0,1|1,0,1]=4 770 B9R0.7 CC(=O)C(C)NC[C@H](C)O 9f16d7df284b4ed6122cd930dc772e91 [0,1,0,0,0,1|1,0,1]=4 771 B9R0.7 CC(=O)C(C)OCC(=O)N e3f17b1ba0618e1108930c4adaf65c06 [0,1,0,0,0,1|1,0,0]=3 772 B9R0.7 CC(=O)C(C)OCC(=O)O 3f4f655e2a9645b79486aa39f2af2bc2 [0,1,0,0,0,1|0,0,0]=2 773 B9R0.7 CC(=O)C(C)OCC(=S)N 1e7039005399f04dd8886dbf432527b1 [0,1,0,0,0,1|1,1,0]=4 774 B9R0.7 CC(=O)C(C)OCS(=O)O 28df88acd0226f183cbbb5939bee131c [0,1,0,0,0,1|1,0,0]=3 775 B9R0.7 CC(=O)C(C)OC[N+](=O)[O-] 164c0954e6b661cbe787912347d7d925 [0,1,0,0,0,1|1,0,1]=4 776 B9R0.7 CC(=O)CNC(=O)C(=O)C 3a5c25d3d66f29fd93aadc7437873a63 [0,1,0,0,0,1|1,0,1]=4 777 B9R0.7 CC(=O)CNC(=O)C(=O)N 202403fba6b53d5dc3db71d88a569b00 [0,1,0,0,0,1|1,0,1]=4 778 B9R0.7 CC(=O)CNC(C)C(=O)C e1f8e9de84603761e1d79968f5b5a7bd [0,1,0,0,0,1|1,0,0]=3 779 B9R0.7 CC(=O)CNC(C)C(=O)N 1ef184706684fe36653e649cd576dc96 [0,1,0,0,0,1|1,0,0]=3 780 B9R0.7 CC(=O)CNC(F)C(=O)N e6952092c7a0e7239d6e064b9ba53a51 [0,1,0,0,0,1|1,0,0]=3 781 B9R0.7 CC(=O)CN[C@@H](C)C(=O)N 57efa4da0a4e1e1b5e7a5f83e532f711 [0,1,0,0,0,1|1,0,0]=3 782 B9R0.7 CC(=O)CN[C@H](C)C(=O)N b38e588447d7c51a4111c6335d9a0bfd [0,1,0,0,0,1|1,0,0]=3 783 B9R0.7 CC(=O)COC(C)C(=O)C 247ac15271039fbba907fd165b3eb5ca [0,1,0,0,0,1|1,0,0]=3 784 B9R0.7 CC(=O)COC(C)C(=O)N 638e3c6ebf88c51b2652225ef006953e [0,1,0,0,0,1|1,0,0]=3 785 B9R0.7 CC(=O)CO[C@@H](C)C(=O)N c8f9fe9a6c067070a98a74322ee74059 [0,1,0,0,0,1|1,0,0]=3 786 B9R0.7 CC(=O)CO[C@H](C)C(=O)N d975aa5d2cb20008db77c9cce9a0d4a2 [0,1,0,0,0,1|1,0,0]=3 787 B9R0.7 CC(=O)N(C)CCC(=O)N 6ae7d60172c10ec7bf43a3f9afc3dfc2 [0,1,0,0,0,1|1,0,0]=3 788 B9R0.7 CC(=O)N(C)CCC(C)O a22cb8ae531445da2a841089e0f36632 [0,1,0,0,0,1|1,0,1]=4 789 B9R0.7 CC(C)C(C)NCC(=O)O 91d49b00bc2f98925645db40aaffec23 [0,1,0,0,0,1|1,0,1]=4 790 B9R0.7 CC(C)C(C)OCC(=O)O 5453f2b0fdd958a9ddf47053a2bbc46a [0,1,0,0,0,1|1,0,1]=4 791 B9R0.7 CC(C)CNC(C)C(=O)O 95f3f70da5c52d8fcff64d575b644cc6 [0,1,0,0,0,1|1,0,1]=4 792 B9R0.7 CC(C)CNC(F)C(=O)O 3711a9670c069b61c1c67d7849298242 [0,1,0,0,0,1|1,0,1]=4 793 B9R0.7 CC(C)CNC(O)C(=O)O 56c2775cf664a9536ae56c2e0f8fb5b9 [0,1,0,0,0,1|1,0,1]=4 794 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 8a76b9132fa71c37af073ea71f14d908 [0,1,0,0,0,1|1,0,1]=4 795 B9R0.7 CC(C)CN[C@@H](F)C(=O)O ce55718c38f59931fe6cf543c7b3ebcf [0,1,0,0,0,1|1,0,1]=4 796 B9R0.7 CC(C)CN[C@H](C)C(=O)O 3f45bea020626ccc8ec99438f12126a4 [0,1,0,0,0,1|1,0,1]=4 797 B9R0.7 CC(C)COC(C)C(=O)O 9c7c1c3df2d77d8f248ac9d91af8f53d [0,1,0,0,0,1|1,0,1]=4 798 B9R0.7 CC(C)CO[C@@H](C)C(=O)O fd5777f1e2b1dc60074ed75e7679298b [0,1,0,0,0,1|1,0,1]=4 799 B9R0.7 CC(C)CO[C@H](C)C(=O)O a69c599a7201e956cef10d92e6f06c1a [0,1,0,0,0,1|1,0,1]=4 800 B9R0.7 CC(C)N(C)CCC(=O)O 9a4c4fa3008269d113851da06265fa69 [0,1,0,0,0,1|1,0,1]=4 801 B9R0.7 CC(C)NCC(C)C(=O)O 48514b1b15d268c29686084b8a8d2d09 [0,1,0,0,0,1|1,0,1]=4 802 B9R0.7 CC(C)NCC(F)C(=O)O 861691fa5d69b6285a7fb70768f89e36 [0,1,0,0,0,1|1,0,1]=4 803 B9R0.7 CC(C)NCC(O)C(=O)O 3c07f41ba869fad28628ce0e0eb9eb4d [0,1,0,0,0,1|1,0,1]=4 804 B9R0.7 CC(C)NC[C@@H](C)C(=O)O eeb01880b97f7b36610e05c2883a075b [0,1,0,0,0,1|1,0,1]=4 805 B9R0.7 CC(C)NC[C@@H](O)C(=O)O eb6cf8a2e9cb3af443f150092edec970 [0,1,0,0,0,1|1,0,1]=4 806 B9R0.7 CC(C)NC[C@H](C)C(=O)O 5780cd753c39f96a6d86de7929d8156a [0,1,0,0,0,1|1,0,1]=4 807 B9R0.7 CC(C)NC[C@H](O)C(=O)O 84ab021a3398610ee2c835c2429ab0e4 [0,1,0,0,0,1|1,0,1]=4 808 B9R0.7 CC(C)OCC(C)C(=O)O c21654bda41cff34c31217652ae24bef [0,1,0,0,0,1|1,0,1]=4 809 B9R0.7 CC(C)OC[C@@H](C)C(=O)O 2e5187b7924c997fdbb6d21d5f5bf05b [0,1,0,0,0,1|1,0,1]=4 810 B9R0.7 CC(C)OC[C@H](C)C(=O)O ea6a1b5296e92549506a331182057b42 [0,1,0,0,0,1|1,0,1]=4 811 B9R0.7 CC(C)[C@@H](C)NCC(=O)O b819017e8dd0621ca989217241b6bdfb [0,1,0,0,0,1|1,0,1]=4 812 B9R0.7 CC(C)[C@@H](C)OCC(=O)O 2c14ad2eaa4565aa59675b4818dba2b0 [0,1,0,0,0,1|1,0,1]=4 813 B9R0.7 CC(C)[C@H](C)NCC(=O)O 8157acac1e55fcb782ad50d024aa8bbc [0,1,0,0,0,1|1,0,1]=4 814 B9R0.7 CC(C)[C@H](C)OCC(=O)O f61a165279ed49217ae1638fda607d49 [0,1,0,0,0,1|1,0,1]=4 815 B9R0.7 CC(NCC(=O)N)C(=O)N b8e54a22761e7a4d1275e4056c43c809 [0,1,0,0,0,1|2,0,0]=4 816 B9R0.7 CC(NCC(=O)N)C(=O)O 12c431bedf774963eea7cc8ec240f9bb [0,1,0,0,0,1|1,0,0]=3 817 B9R0.7 CC(NCC(=O)O)C(=O)N 89c37092ee2f8b0e63268d273d0228ff [0,1,0,0,0,1|1,0,0]=3 818 B9R0.7 CC(NCC(=O)O)C(=O)O 987b2499311f8742f9deea3b5e39f6e6 [0,1,0,0,0,1|1,0,0]=3 819 B9R0.7 CC(NCN(C)C)C(=O)O e058f611a7944b54a8e4a69fa3d68dff [0,1,0,0,0,1|2,0,0]=4 820 B9R0.7 CC(NC[C@@H](C)O)C(=O)O e809ce2c26bcb016686927f7b1c7a395 [0,1,0,0,0,1|0,0,2]=4 821 B9R0.7 CC(NC[C@H](C)O)C(=O)O d508d1661713f75e41ed860ce7457545 [0,1,0,0,0,1|0,0,2]=4 822 B9R0.7 CC(NC[N+](=O)[O-])C(=O)O f083c5c533c118c47ab36d91e496ac98 [0,1,0,0,0,1|2,0,0]=4 823 B9R0.7 CC(O)C(C)NCC(=O)O 6fd6b2ea1088c99dba5e071db522af6e [0,1,0,0,0,1|0,0,2]=4 824 B9R0.7 CC(O)CNC(C)C(=O)O 8f378c3b2577a664e81978bed6d085ad [0,1,0,0,0,1|0,0,2]=4 825 B9R0.7 CC(O)CNC(O)C(=O)O 5e6094d83c3524909868e222ec813376 [0,1,0,0,0,1|0,0,2]=4 826 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 5ddc35dc14ba5aa589c4aa25f6e3299a [0,1,0,0,0,1|0,0,2]=4 827 B9R0.7 CC(O)CN[C@H](C)C(=O)O 4d91ad475557f6f0126eddf20ec91d26 [0,1,0,0,0,1|0,0,2]=4 828 B9R0.7 CC(OCC(=O)N)C(=O)N aa1d86ab555151241fb6c99dcd38c05e [0,1,0,0,0,1|2,0,0]=4 829 B9R0.7 CC(OCC(=O)N)C(=O)O b03fb8a7fd862f258b619b4cc7880cfb [0,1,0,0,0,1|1,0,0]=3 830 B9R0.7 CC(OCC(=O)O)C(=O)N db28e9b2c87c1d0947641fc2652da557 [0,1,0,0,0,1|1,0,0]=3 831 B9R0.7 CC(OCC(=O)O)C(=O)O 703dd626490aec635a09876bfd310d6e [0,1,0,0,0,1|1,0,0]=3 832 B9R0.7 CC(OCN(C)C)C(=O)O 830922da04f3fb2cfe42d9f413964017 [0,1,0,0,0,1|2,0,0]=4 833 B9R0.7 CC(OCS(=O)O)C(=O)N dab33f6db2780e84d42050a79b30907e [0,1,0,0,0,1|2,0,0]=4 834 B9R0.7 CC(S)C(C)OCC(=O)O 1c77a3f15c2b77600079151ecb5a4c83 [0,1,0,0,0,1|0,1,1]=4 835 B9R0.7 CN(C)CNC(O)C(=O)O 514e27cf974abcb81fa8750ea67f9650 [0,1,0,0,0,1|2,0,0]=4 836 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 3236ba8340084049a6e797c553caf433 [0,1,0,0,0,1|2,0,0]=4 837 B9R0.7 C[C@@H](NCC(=O)N)C(=O)O f4c5292da88c22300ec1d7a42633c357 [0,1,0,0,0,1|1,0,0]=3 838 B9R0.7 C[C@@H](NCC(=O)O)C(=O)N bfe024e754ce1f221307332ca4690333 [0,1,0,0,0,1|1,0,0]=3 839 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O 415a0334860aefb2a3620bf8fdc363b7 [0,1,0,0,0,1|1,0,0]=3 840 B9R0.7 C[C@@H](NCN(C)C)C(=O)O b71bf2ae1b9b1319ba65f4a4616917da [0,1,0,0,0,1|2,0,0]=4 841 B9R0.7 C[C@@H](NC[N+](=O)[O-])C(=O)O faf87dceade95b43fb0fce2617e5437f [0,1,0,0,0,1|2,0,0]=4 842 B9R0.7 C[C@@H](O)CNC(O)C(=O)O 53522750083f40c42a75c8d1a51d10e1 [0,1,0,0,0,1|0,0,2]=4 843 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)O 6c09363025908b429c9f6a9c87360a44 [0,1,0,0,0,1|0,0,2]=4 844 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 15bdbeb0e9cfbc4fc39be19556efc584 [0,1,0,0,0,1|2,0,0]=4 845 B9R0.7 C[C@@H](OCC(=O)N)C(=O)O 86c2c5417278aae756f6aeca523ec66d [0,1,0,0,0,1|1,0,0]=3 846 B9R0.7 C[C@@H](OCC(=O)O)C(=O)N 0df6cadb7afb5df43c33d22fe1ce57b8 [0,1,0,0,0,1|1,0,0]=3 847 B9R0.7 C[C@@H](OCC(=O)O)C(=O)O 4a8d16a0c243ab4716ea82e35fa33547 [0,1,0,0,0,1|1,0,0]=3 848 B9R0.7 C[C@@H](OCN(C)C)C(=O)O 11c670991f4825d9b999539a20aaf0a4 [0,1,0,0,0,1|2,0,0]=4 849 B9R0.7 C[C@@H](OCS(=O)O)C(=O)N f22a14fe3c22d8c0263b1c2da40a7b55 [0,1,0,0,0,1|2,0,0]=4 850 B9R0.7 C[C@H](NCC(=O)N)C(=O)N 5e2b5813dfa07f09c0bfb07145272861 [0,1,0,0,0,1|2,0,0]=4 851 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 60afe78c4eedef790de6ca6532beb156 [0,1,0,0,0,1|1,0,0]=3 852 B9R0.7 C[C@H](NCC(=O)O)C(=O)N a9a64082f6699f672e6c1e7ab7305b25 [0,1,0,0,0,1|1,0,0]=3 853 B9R0.7 C[C@H](NCC(=O)O)C(=O)O f9625cec5eb0d5af5124541dcd344e57 [0,1,0,0,0,1|1,0,0]=3 854 B9R0.7 C[C@H](NCN(C)C)C(=O)O 890cc561e2705dfd45b43ad18d204e90 [0,1,0,0,0,1|2,0,0]=4 855 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O e4a79b78aaf76db8d949999ecfcb00bc [0,1,0,0,0,1|0,0,2]=4 856 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 0192ca9ea8752d43981f02bd779e8978 [0,1,0,0,0,1|2,0,0]=4 857 B9R0.7 C[C@H](O)CNC(O)C(=O)O 2718c7b8bbc967e12d5b2f298426a47e [0,1,0,0,0,1|0,0,2]=4 858 B9R0.7 C[C@H](O)CN[C@@H](C)C(=O)O 6a6c67ca6662759fc2db97e0c2faf3d9 [0,1,0,0,0,1|0,0,2]=4 859 B9R0.7 C[C@H](O)CN[C@H](C)C(=O)O 43b98191e964d18ae40cd9f3d82f80ac [0,1,0,0,0,1|0,0,2]=4 860 B9R0.7 C[C@H](OCC(=O)N)C(=O)N 28df30e384d79ea74de190c9e8574d1b [0,1,0,0,0,1|2,0,0]=4 861 B9R0.7 C[C@H](OCC(=O)N)C(=O)O 85d8e2a0406c89a85ba163325cddb16a [0,1,0,0,0,1|1,0,0]=3 862 B9R0.7 C[C@H](OCC(=O)O)C(=O)N 9f3566138f221d3fa100bde817697c75 [0,1,0,0,0,1|1,0,0]=3 863 B9R0.7 C[C@H](OCC(=O)O)C(=O)O fee1967c0e07a40963d81dc0d0074185 [0,1,0,0,0,1|1,0,0]=3 864 B9R0.7 C[C@H](OCN(C)C)C(=O)O 9b0ce417c0ddb18430edfd9d891dd393 [0,1,0,0,0,1|2,0,0]=4 865 B9R0.7 C[C@H](OCS(=O)O)C(=O)N ced89e58cea1824f4321789d892a8801 [0,1,0,0,0,1|2,0,0]=4 866 B9R0.7 NC(=O)C(F)OCS(=O)O 786d19a78f540f8b630dc85b2b310ea2 [0,1,0,0,0,1|2,0,0]=4 867 B9R0.7 NC(=O)CNC(O)C(=O)O e22e745b56c329f1467f6492ff91646e [0,1,0,0,0,1|1,0,0]=3 868 B9R0.7 O=C(O)C(O)NC[N+](=O)[O-] 9d6f3def821fa620a12f7bca8bd6be27 [0,1,0,0,0,1|2,0,0]=4 869 B9R0.7 O=C(O)CNC(O)C(=O)O a8c737be266278e1899519c4760056de [0,1,0,0,0,1|1,0,0]=3 870 B9R0.53 C=C(Br)CN(C)CC(=O)O e957462c1b6372977a7f8dc18732fdca [0,1,0,0,0,1|1,0,1]=4 871 B9R0.53 C=C(C)CN(C)CC(=O)N cc134986af5d07d09e97b16d9c63cd32 [0,1,0,0,0,1|2,0,0]=4 872 B9R0.53 C=C(C)CN(C)CC(=O)O 4cf70052902d112170b9898763232e96 [0,1,0,0,0,1|1,0,0]=3 873 B9R0.53 C=C(Cl)CN(C)CC(=O)O fea65b214dd155e5ccfa6b586e2f5689 [0,1,0,0,0,1|1,0,1]=4 874 B9R0.53 C=C(F)CN(C)CC(=O)O 1bfdd61037dcfafaf91556f4a6a4e646 [0,1,0,0,0,1|1,0,1]=4 875 B9R0.53 CC(=O)NC(C)CC(C)O 63f7a0b1a21e0057f34d593522b48745 [0,1,0,0,0,1|1,0,1]=4 876 B9R0.53 CC(C)CN(C)CC(=O)O 8c62f4b6b1fb144868fb4d2e68a9ef67 [0,1,0,0,0,1|1,0,1]=4 877 B9R0.53 CC(C)NC(C)CC(=O)O 3f158c2507a9d14e5e314adf36bf882d [0,1,0,0,0,1|1,0,1]=4 878 B9R0.53 CC(C)N[C@@H](C)CC(=O)O a9f55dfe91b2c83d047ae147d6dcde4a [0,1,0,0,0,1|1,0,1]=4 879 B9R0.53 CC(C)N[C@H](C)CC(=O)O be43bec59f1dc06e78d63a1757b9b9df [0,1,0,0,0,1|1,0,1]=4 880 B9R0.53 CC(C)OC(C)CC(=O)O acd7e8b77db52152b38441c0f09dd249 [0,1,0,0,0,1|1,0,1]=4 881 B9R0.53 CC(C)O[C@@H](C)CC(=O)O dc36387ca698e3189cbbcbaa8e6d5745 [0,1,0,0,0,1|1,0,1]=4 882 B9R0.53 CC(C)O[C@H](C)CC(=O)O f085fe61e3ea06f844e5841e23963683 [0,1,0,0,0,1|1,0,1]=4 883 B9R0.53 CC(O)CN(C)CC(=O)O 36b5f303d7d498b862a96e5f52dfaaee [0,1,0,0,0,1|0,0,2]=4 884 B9R0.53 CN(C)CN(C)CC(=O)O 607e109ef7149c2b024c53aa781b5121 [0,1,0,0,0,1|2,0,0]=4 885 B9R0.53 CN(CC(=O)N)CC(=O)N 037eceb3121fe776bc7180be279a7425 [0,1,0,0,0,1|2,0,0]=4 886 B9R0.53 CN(CC(=O)N)CC(=O)O 80a408a9755d8f953b5b1d57f8f8c597 [0,1,0,0,0,1|1,0,0]=3 887 B9R0.53 CN(CC(=O)O)CC(=O)O 232ba4c1490720bda05df22b947a829b [0,1,0,0,0,1|1,0,0]=3 888 B9R0.53 CN(CC(=O)O)C[N+](=O)[O-] 99c2999ffa1fd0e2046e092ad4b1a8af [0,1,0,0,0,1|2,0,0]=4 889 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 5af70c256fb5937ef5e9d353811b57e0 [0,1,0,0,0,1|0,0,2]=4 890 B9R0.53 C[C@H](O)CN(C)CC(=O)O be06a32a46d065021265c880ebd02b82 [0,1,0,0,0,1|0,0,2]=4 891 B9R0.56 C=C(C)CNCS(=O)(=O)O e8c1278698215b86e475f53bfad527ee [0,1,0,0,0,1|2,0,0]=4 892 B9R0.56 CC(=O)CNCC(C)(C)O 4768c2ef33c494cf1cb460ccf8992d46 [0,1,0,0,0,1|1,0,1]=4 893 B9R0.56 CC(=O)CNCS(=O)(=O)C 52b856da5ab82703034eaf4210b04f94 [0,1,0,0,0,1|1,0,1]=4 894 B9R0.56 CC(=O)CNCS(=O)(=O)O 712d8b43937747273cb692fdc63fc242 [0,1,0,0,0,1|1,0,0]=3 895 B9R0.56 CC(=O)COCC(C)(C)O 968af8323febdab174c481fb970167e4 [0,1,0,0,0,1|1,0,1]=4 896 B9R0.56 CC(=O)COCS(=O)(=O)C 6d247ef15992b9c199a5d5886cb0b4c5 [0,1,0,0,0,1|1,0,1]=4 897 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)(Br)COCC(=O)O f4b3dda029b687e1e93d6714516341ca [0,1,0,0,0,1|1,0,1]=4 902 B9R0.56 CC(C)(C)CNCC(=O)O 48484e77a3391febaff23cc27f83c632 [0,1,0,0,0,1|1,0,1]=4 903 B9R0.56 CC(C)(C)COCC(=O)O 6343d13d7538778e6be0ee5b157d3306 [0,1,0,0,0,1|1,0,1]=4 904 B9R0.56 CC(C)(C)NCCC(=O)O 843cfa476336bc74d5fb0cc3c9d1d480 [0,1,0,0,0,1|1,0,1]=4 905 B9R0.56 CC(C)(F)CNCC(=O)O f0045d40b935ce4307fdd8a98e27d771 [0,1,0,0,0,1|1,0,1]=4 906 B9R0.56 CC(C)(F)COCC(=O)O f930e32e97984ceb6661cffc664ed43d [0,1,0,0,0,1|1,0,1]=4 907 B9R0.56 CC(C)(O)CNCC(=O)O e151ab0ab3d97e396aa0fed6e804877e [0,1,0,0,0,1|0,0,2]=4 908 B9R0.56 CC(C)(O)COCC(=O)O 98a41e9da098f05b7aac50d16fcdacd9 [0,1,0,0,0,1|0,0,2]=4 909 B9R0.56 CC(C)(S)COCC(=O)O 179792a8f36e7a74693997e52ca1a93c [0,1,0,0,0,1|0,1,1]=4 910 B9R0.56 CC(F)(F)CNCC(=O)O 8858e699e4dfb7eb008c121635e7625c [0,1,0,0,0,1|1,0,1]=4 911 B9R0.56 CC(F)(F)COCC(=O)O f6411d8693ef059468f662190c6a7f1f [0,1,0,0,0,1|1,0,1]=4 912 B9R0.56 CS(=O)(=O)CNCC(=O)N 1e35edbddfafe98f55be56bae3181e68 [0,1,0,0,0,1|2,0,0]=4 913 B9R0.56 CS(=O)(=O)CNCC(=O)O b3d4b916729f0f05a36cb4efab798f74 [0,1,0,0,0,1|1,0,0]=3 914 B9R0.56 CS(=O)(=O)COCC(=O)N d8c112e90b537e760cc792be4f809e58 [0,1,0,0,0,1|2,0,0]=4 915 B9R0.56 CS(=O)(=O)COCC(=O)O dca250325b5ffe688b8783789ecabd22 [0,1,0,0,0,1|1,0,0]=3 916 B9R0.56 CS(=O)(=O)COCS(=O)O 8d6e0fbc8adb8ddb780cb708aaeabb01 [0,1,0,0,0,1|2,0,0]=4 917 B9R0.56 NC(=O)CNCS(=O)(=O)O ed641d26cadfb9339bbb43f1eb50b857 [0,1,0,0,0,1|2,0,0]=4 918 B9R0.56 O=C(O)CNCS(=O)(=O)O 06072f2cdfb3fe18c19d4842e5550970 [0,1,0,0,0,1|2,0,0]=4 919 B9R0.21 CCC(=O)NCS(=O)(=O)O b283fbb3bba8b4731acf427260f6d243 [0,2,0,0,0,0|2,0,0]=4 920 B9R0.21 CN(C=O)CCS(=O)(=O)O e19a2ea3be012d1499d60ed9ab9423b5 [0,2,0,0,0,0|2,0,0]=4 921 B9R0.21 O=C(CO)NCS(=O)(=O)O c95e0b7dd2d85d0a86ccd026b63f1a2c [0,2,0,0,0,0|2,0,0]=4 922 B9R0.23 CC(C=O)N(C)CC(=O)O 42e8595385f1708c885bb9847ad49685 [0,2,0,0,0,0|1,0,1]=4 923 B9R0.23 CC(CC(=O)O)N(C)CF 86c04df1cbc3118a36f6456c0382068b [0,2,0,0,0,0|2,0,0]=4 924 B9R0.23 CC(CC(=O)O)N(C)CO c6b41a1684495ec12e16617ae033a720 [0,2,0,0,0,0|1,0,1]=4 925 B9R0.23 CCC(=O)N(C)CC(=O)N c5a50f35b1cd1bf48f76518c313d8a6a [0,2,0,0,0,0|2,0,0]=4 926 B9R0.23 CCN(C)C(C)CC(=O)O abeb707970b255b95a0917af44198a47 [0,2,0,0,0,0|2,0,0]=4 927 B9R0.23 CN(CC(=O)N)C(=O)CF a13951e0c3b41d73f56fe4fcaa2d9421 [0,2,0,0,0,0|2,0,0]=4 928 B9R0.23 CN(CC(=O)N)C(=O)CO 711c24200cb93117138ade53aa7d9b58 [0,2,0,0,0,0|2,0,0]=4 929 B9R0.23 CN(CC(=O)N)C(=O)CS 3e918f22b2390a97bffeb09bc5194233 [0,2,0,0,0,0|2,0,0]=4 930 B9R0.23 CNC(=O)C(C)NC(=O)C 20dcd5ed09ea0b27a914b41bad316179 [0,2,0,0,0,0|2,0,0]=4 931 B9R0.23 C[C@H](C=O)N(C)CC(=O)O 627b1938d4a1b55a260a248683085e0c [0,2,0,0,0,0|1,0,1]=4 932 B9R0.24 C#CC(=O)NCC(=O)NC f5571999c2b96b3a821e27aed1e1ae8e [0,2,0,0,0,0|2,0,0]=4 933 B9R0.24 C#CC(=O)NCC(=O)NO ee99942b6495773768474f3deea3c2ad [0,2,0,0,0,0|1,0,1]=4 934 B9R0.24 C#CC(=O)NCC(=O)OC 58040c2fd7a90666a43d05947915fc8f [0,2,0,0,0,0|1,0,1]=4 935 B9R0.24 C=C(C=O)OCC(=O)CC 7d7578d425fd1809e6758aaf3e6015f0 [0,2,0,0,0,0|2,0,0]=4 936 B9R0.24 C=C(C=O)OCC(=O)NC a87e1885ce054c7a4fa3575aee8427c4 [0,2,0,0,0,0|2,0,0]=4 937 B9R0.24 C=C(C=O)OCC(=O)OC b4731eaa7320808b65497d6e761603e5 [0,2,0,0,0,0|1,0,1]=4 938 B9R0.24 C=CC(=O)NCC(=O)NC 5317a287b45e7a1fba64569aef1f5016 [0,2,0,0,0,0|2,0,0]=4 939 B9R0.24 C=CC(=O)NCC(=O)NO 79616c07e926c3ca7ce4463f008f937e [0,2,0,0,0,0|1,0,1]=4 940 B9R0.24 C=CC(=O)NCC(=O)OC 10e57b5c3b90d94c9f9d63ae5b51ab60 [0,2,0,0,0,0|1,0,1]=4 941 B9R0.24 CC(C=O)NCC(=O)NO bc51939da60c90ef1be22a27ae9a7c85 [0,2,0,0,0,0|1,0,1]=4 942 B9R0.24 CCC(=O)NCC(=O)NC 8de52928441a61924092fabfe9a4462b [0,2,0,0,0,0|2,0,0]=4 943 B9R0.24 CCC(=O)NCC(=O)NO 07ad78ca4776594e09bc2b7c3a7c2f28 [0,2,0,0,0,0|1,0,0]=3 944 B9R0.24 CCC(=O)NCC(=O)OC 5f6ec2d5f91cea317b39ea7a589feebf [0,2,0,0,0,0|1,0,0]=3 945 B9R0.24 CCN(C)CCC(=O)OC d4cf3afdf7bf67f420c8138d9cf71b21 [0,2,0,0,0,0|2,0,0]=4 946 B9R0.24 CNC(=O)CCN(C)C=O b308bd7b0dfa7826ea24ba8207d7f5bb [0,2,0,0,0,0|2,0,0]=4 947 B9R0.24 CNC(=O)CCN(C)CO da1c6696a533c1b82536cbb225347937 [0,2,0,0,0,0|2,0,0]=4 948 B9R0.24 CNC(=O)CNC(=O)C=O 759912cd5b01f077d84bf1cd9fb0ace8 [0,2,0,0,0,0|1,0,1]=4 949 B9R0.24 CNC(=O)CNC(=O)CF 72897abacfab65cc9e5973fe2b47b8b2 [0,2,0,0,0,0|2,0,0]=4 950 B9R0.24 CNC(=O)CNC(=O)CO 2a2ebd817a9473b092a5321cf21642c9 [0,2,0,0,0,0|1,0,0]=3 951 B9R0.24 CNC(=O)CNC(=O)CS 823c24cccea0dfd45a6ad63e70295ae4 [0,2,0,0,0,0|1,1,0]=4 952 B9R0.24 COC(=O)CCN(C)C=O c30203a4eca8affce824fc80a9b45f76 [0,2,0,0,0,0|1,0,0]=3 953 B9R0.24 COC(=O)CCN(C)CF df1ecc151d3c48659c12397496c94279 [0,2,0,0,0,0|2,0,0]=4 954 B9R0.24 COC(=O)CCN(C)CO ab8817d781dac8c00b417de9f0f45392 [0,2,0,0,0,0|1,0,1]=4 955 B9R0.24 COC(=O)CNC(=O)C=O 8770afb695a551371434e33fe8693b12 [0,2,0,0,0,0|1,0,1]=4 956 B9R0.24 COC(=O)CNC(=O)CF b3ead293da577a849ff28915b38843bb [0,2,0,0,0,0|1,0,0]=3 957 B9R0.24 COC(=O)CNC(=O)CO d176581f5d9690d46fec33f4e68508b3 [0,2,0,0,0,0|1,0,0]=3 958 B9R0.24 COC(=O)CNC(=O)CS 6e06f3ed9018d8a3d709b154968f670a [0,2,0,0,0,0|1,0,0]=3 959 B9R0.24 COC(=O)CNC(C)C=O 2dfcf6cde44b92f9471ba53f321fd2aa [0,2,0,0,0,0|1,0,1]=4 960 B9R0.24 COC(=O)CN[C@H](C)C=O 1463b380ab51139274cc8359c96a1f75 [0,2,0,0,0,0|1,0,1]=4 961 B9R0.24 COC(=O)COC(C)C=O 2893581629e04d22b3e4e05cd3ab89b1 [0,2,0,0,0,0|1,0,1]=4 962 B9R0.24 COC(=O)CO[C@H](C)C=O 18cc6747b068bee5fcd005922c770056 [0,2,0,0,0,0|1,0,1]=4 963 B9R0.24 C[C@H](C=O)NCC(=O)NO 4fc8691513b3c6a6c1196a36c9c69103 [0,2,0,0,0,0|1,0,1]=4 964 B9R0.24 O=C(CNC(=O)CO)NO 638244c8eafd810beb185e51f5e2ab28 [0,2,0,0,0,0|1,0,0]=3 965 B9R0.24 O=CC(=O)NCC(=O)NO ca78486e63e1a64ad01c0fa295dfefc2 [0,2,0,0,0,0|1,0,1]=4 966 B9R0.42 C=C(C=O)OC(C)C(=O)C b2a8788d7c2b5df7b6ebbe8c015ed4a7 [0,2,0,0,0,0|2,0,0]=4 967 B9R0.42 C=C(C=O)OC(C)C(=O)O acc96197b7d26b479b4073261b8ee8d6 [0,2,0,0,0,0|1,0,1]=4 968 B9R0.42 C=C(C=O)OC(F)C(=O)O 9a8c602d6f4a0b91019640bcd637d809 [0,2,0,0,0,0|1,0,1]=4 969 B9R0.42 C=C(C=O)O[C@@H](C)C(=O)O 99acba9fe5e7c1206a676b1188c90ff5 [0,2,0,0,0,0|1,0,1]=4 970 B9R0.42 C=C(C=O)O[C@@H](F)C(=O)O f18a034cde47ecb2610e5539d6d55c45 [0,2,0,0,0,0|1,0,1]=4 971 B9R0.42 C=C(C=O)O[C@H](C)C(=O)O f9945c33703877b03c13b7d1b23190c5 [0,2,0,0,0,0|1,0,1]=4 972 B9R0.42 CC(C=O)NC(C)C(=O)O 20a60fbe7856cff95fc76d9ef94f22d5 [0,2,0,0,0,0|1,0,1]=4 973 B9R0.42 CC(C=O)NC(O)C(=O)O db9c7b297edd7c7de73bc597b349df56 [0,2,0,0,0,0|1,0,1]=4 974 B9R0.42 CC(C=O)N[C@@H](C)C(=O)O e3cf235a2693748060acfaea11b79b65 [0,2,0,0,0,0|1,0,1]=4 975 B9R0.42 CC(C=O)N[C@H](C)C(=O)O 4ec6dc5e3aa5c2a3e70c2c676d764736 [0,2,0,0,0,0|1,0,1]=4 976 B9R0.42 CC(C=O)OC(C)C(=O)O 1537e851619ce413e13fe6f204bab7d7 [0,2,0,0,0,0|1,0,1]=4 977 B9R0.42 CC(C=O)OC(F)C(=O)O f994657f138457ec1e0b60d238af711d [0,2,0,0,0,0|1,0,1]=4 978 B9R0.42 CC(C=O)O[C@@H](C)C(=O)O 64b50251102d4c587bc3027a25de4825 [0,2,0,0,0,0|1,0,1]=4 979 B9R0.42 CC(C=O)O[C@@H](F)C(=O)O 86d7cf316632b5c8d374ad2fb73649c7 [0,2,0,0,0,0|1,0,1]=4 980 B9R0.42 CC(C=O)O[C@H](C)C(=O)O 83aac9083bf94631c394c772a6091201 [0,2,0,0,0,0|1,0,1]=4 981 B9R0.42 CC(NC(=O)CF)C(=O)N 70a62ef6a8f37d548a6870f6adbc60b2 [0,2,0,0,0,0|2,0,0]=4 982 B9R0.42 CC(NC(=O)CO)C(=O)N 0deef77728c93d9b503dd339ada3e9ae [0,2,0,0,0,0|2,0,0]=4 983 B9R0.42 CC(NC(=O)CS)C(=O)N 567a56c398abd5bc89bbed2edf0edb6f [0,2,0,0,0,0|2,0,0]=4 984 B9R0.42 CC(N[C@H](C)C=O)C(=O)O 073008b09dd4daa46c3eee41b6f5a86b [0,2,0,0,0,0|1,0,1]=4 985 B9R0.42 CC(O[C@H](C)C=O)C(=O)O 812bd5a15fd54855877e7092dda0410f [0,2,0,0,0,0|1,0,1]=4 986 B9R0.42 CCC(=O)NC(C)C(=O)N 042abc99edf45e1af3403af309d34222 [0,2,0,0,0,0|2,0,0]=4 987 B9R0.42 CCC(=O)N[C@@H](C)C(=O)N df383087b3c3afadcb64f09befb28ec4 [0,2,0,0,0,0|2,0,0]=4 988 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 9d0860b87819461019427c994bc33323 [0,2,0,0,0,0|2,0,0]=4 989 B9R0.42 CCN(C)CC(C)C(=O)O 723a209640bd6d7906fe24890b9f1ec8 [0,2,0,0,0,0|2,0,0]=4 990 B9R0.42 CCN(C)C[C@H](O)C(=O)O d81aaee6aea514de5f389834648d53b5 [0,2,0,0,0,0|2,0,0]=4 991 B9R0.42 CN(CF)C[C@H](O)C(=O)O 60366e3171c2878a947ec480c44c1bd5 [0,2,0,0,0,0|2,0,0]=4 992 B9R0.42 CN(CO)C[C@H](O)C(=O)O 9684eb013c9991979f1f883b59e5a0c5 [0,2,0,0,0,0|1,0,1]=4 993 B9R0.42 CNC(=O)CN(C)C(=O)C af85ae499f5e4093eb1658463fddb691 [0,2,0,0,0,0|2,0,0]=4 994 B9R0.42 COC(=O)CN(C)C(=O)C dba6f619f41ce5364c69da2ce0a7a9a2 [0,2,0,0,0,0|1,0,0]=3 995 B9R0.42 C[C@@H](NC(=O)CF)C(=O)N 87a0a70b7b6f3029470eb628e1bd88c0 [0,2,0,0,0,0|2,0,0]=4 996 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 52099f462414dc1313167c84b9383df1 [0,2,0,0,0,0|2,0,0]=4 997 B9R0.42 C[C@@H](NC(=O)CS)C(=O)N 6fe78da56822f7a7bb4d250d2a1c44a8 [0,2,0,0,0,0|2,0,0]=4 998 B9R0.42 C[C@H](C=O)NC(O)C(=O)O f9acfd7578d2efc6770d6eca05c7d778 [0,2,0,0,0,0|1,0,1]=4 999 B9R0.42 C[C@H](C=O)N[C@@H](C)C(=O)O 939bc4c7aaa3ec6d4eb0542bf7f8b345 [0,2,0,0,0,0|1,0,1]=4 1000 B9R0.42 C[C@H](C=O)N[C@H](C)C(=O)O cc7913b07882750d08c30e7582a0574f [0,2,0,0,0,0|1,0,1]=4 1001 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 1002 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 1003 B9R0.42 C[C@H](NC(=O)CF)C(=O)N 907c8225367de45c1cdec1e0444a83f7 [0,2,0,0,0,0|2,0,0]=4 1004 B9R0.42 C[C@H](NC(=O)CO)C(=O)N db14ce3cecb04de77f4460e8d86f6360 [0,2,0,0,0,0|2,0,0]=4 1005 B9R0.42 C[C@H](NC(=O)CS)C(=O)N ba2f0e0464a7d29639b2ae6d5dc6d3c4 [0,2,0,0,0,0|2,0,0]=4 1006 B9R0.43 CCC(C=O)NCC(=O)O 2dff37ffe0c09807fcd641801f47306a [0,2,0,0,0,0|1,0,1]=4 1007 B9R0.43 CCC(C=O)OCC(=O)O 200ce9180f5aea00044ac6edcf54d531 [0,2,0,0,0,0|1,0,1]=4 1008 B9R0.43 CCN(C=O)CCC(=O)N 0c5cb963f8fe5e8484cce1a652b0eb0b [0,2,0,0,0,0|2,0,0]=4 1009 B9R0.48 C#CCC(=O)NCC(=O)C 23a1802c7cb2157e457286c2b3f83cab [0,2,0,0,0,0|2,0,0]=4 1010 B9R0.48 C#CCC(=O)NCC(=O)N 678d65725adf02fe19c37a26508ddac6 [0,2,0,0,0,0|2,0,0]=4 1011 B9R0.48 C#CCN(C)CCC(=O)O 190ebfe976f23c6a4760ea2b195e163b [0,2,0,0,0,0|2,0,0]=4 1012 B9R0.48 C/C=C/C(=O)NCC(=O)C 4bd41d84ba8243cdd2ab45f2a8dbcd77 [0,2,0,0,0,0|2,0,0]=4 1013 B9R0.48 C/C=C/C(=O)NCC(=O)N 2b1cf945c4501bf02a4c304c04c1c271 [0,2,0,0,0,0|2,0,0]=4 1014 B9R0.48 C=C(C)CCC(=O)NC#N e7b73a0c87d64d73368a316e4dd55fc3 [0,2,0,0,0,0|2,0,0]=4 1015 B9R0.48 C=C(C)CNC(=O)CCO f295b4fbed4d568ea85b27435f4a1a1d [0,2,0,0,0,0|2,0,0]=4 1016 B9R0.48 C=C(C)CNC(=O)COC 7927f533b7fcfd491d5570cbc592dd9d [0,2,0,0,0,0|2,0,0]=4 1017 B9R0.48 C=C(C)CNC(=O)CON 16dcd7390417cfd0007443d2a0a59d6d [0,2,0,0,0,0|2,0,0]=4 1018 B9R0.48 C=CCC(=O)NCC(=O)C 73d54f600bcb2bce8dfc5ef29c15314c [0,2,0,0,0,0|2,0,0]=4 1019 B9R0.48 C=CCC(=O)NCC(=O)N 8bcac2ecc63e375c5cbfbdce478f3303 [0,2,0,0,0,0|2,0,0]=4 1020 B9R0.48 C=CCN(C)CCC(=O)O 85c31c0123bc751a9540d6f16d5ab7f5 [0,2,0,0,0,0|2,0,0]=4 1021 B9R0.48 CC#CC(=O)NCC(=O)C 8465ef58e9a985ae13b543ed1f33d421 [0,2,0,0,0,0|2,0,0]=4 1022 B9R0.48 CC#CC(=O)NCC(=O)N ad4b92d619b6c5f6fc8abbf5bd191a00 [0,2,0,0,0,0|2,0,0]=4 1023 B9R0.48 CC(=O)CCC(=O)NC#N 92c8aded7ee1913cc10fd041c876920e [0,2,0,0,0,0|1,0,0]=3 1024 B9R0.48 CC(=O)CCN(C)CCO 4a03b831e9c1e8d9f6e965d9f1dd4ebb [0,2,0,0,0,0|2,0,0]=4 1025 B9R0.48 CC(=O)CNC(=O)/C=C/Br f4c1832564f3bb85cfb9e9a78fe25a3d [0,2,0,0,0,0|2,0,0]=4 1026 B9R0.48 CC(=O)CNC(=O)/C=C/Cl 16c471ce163d53ad86d21ba961f938a8 [0,2,0,0,0,0|2,0,0]=4 1027 B9R0.48 CC(=O)CNC(=O)/C=C/I 8dec2a8bd7e13e443907c6b73972e6f7 [0,2,0,0,0,0|2,0,0]=4 1028 B9R0.48 CC(=O)CNC(=O)/C=C\Br e7e51b94d3d6a934fff609f53469bac6 [0,2,0,0,0,0|2,0,0]=4 1029 B9R0.48 CC(=O)CNC(=O)/C=C\Cl 4185fa46ea813a53328eba1d2f60b821 [0,2,0,0,0,0|2,0,0]=4 1030 B9R0.48 CC(=O)CNC(=O)/C=C\I a7efee952bb5bec791cad965a8ca812b [0,2,0,0,0,0|2,0,0]=4 1031 B9R0.48 CC(=O)CNC(=O)C#CBr efb8787cbc452f6b8b5838d363140cac [0,2,0,0,0,0|2,0,0]=4 1032 B9R0.48 CC(=O)CNC(=O)C=CBr 24bb3fdcb9e9ee006f54ebf341140e61 [0,2,0,0,0,0|2,0,0]=4 1033 B9R0.48 CC(=O)CNC(=O)C=CI 23827a10c9457e965572ffbacb9375d4 [0,2,0,0,0,0|2,0,0]=4 1034 B9R0.48 CC(=O)CNC(=O)CC#N bb787536dca20f916369649b570114f7 [0,2,0,0,0,0|2,0,0]=4 1035 B9R0.48 CC(=O)CNC(=O)CC=O 1f4a336afd3cc4154eeb8c2f496489ab [0,2,0,0,0,0|1,0,1]=4 1036 B9R0.48 CC(=O)CNC(=O)CCF d107193ce657c88df2652ef9baeb288c [0,2,0,0,0,0|2,0,0]=4 1037 B9R0.48 CC(=O)CNC(=O)CCO c299cd7b6e99612f6d546a77c82b470b [0,2,0,0,0,0|1,0,0]=3 1038 B9R0.48 CC(=O)CNC(=O)CCS 57b6b0d2d091bf19026d70091c345536 [0,2,0,0,0,0|1,1,0]=4 1039 B9R0.48 CC(=O)CNC(=O)CON bc03b85063fc3b8e6a29023141d681b7 [0,2,0,0,0,0|1,0,0]=3 1040 B9R0.48 CC(=O)CNC(=O)NC#N 412ed6d1577a58edaad16939bcbe3749 [0,2,0,0,0,0|2,0,0]=4 1041 B9R0.48 CC(=O)NCC(=O)NC#N 04a5a65186f77a7dffb48bc6eccfeaea [0,2,0,0,0,0|2,0,0]=4 1042 B9R0.48 CC(=O)OCC(=O)NC#N 7e7d0e1063f4093656130b7e5efcdae9 [0,2,0,0,0,0|2,0,0]=4 1043 B9R0.48 CC(=O)SCC(=O)NC#N 29e9a9d9aabde2355ad9ba71431a325b [0,2,0,0,0,0|2,0,0]=4 1044 B9R0.48 CC(CCC(=O)O)NC#N 013e3f5bce1f84721446768ab72dd503 [0,2,0,0,0,0|1,0,1]=4 1045 B9R0.48 CC(CCC(=O)O)NCF a92d39df8a126f0852271a9b340958b4 [0,2,0,0,0,0|1,0,1]=4 1046 B9R0.48 CC(CCC(=O)O)OCF 8a850024bcf506861cc56e2f4b203d76 [0,2,0,0,0,0|0,0,2]=4 1047 B9R0.48 CCCC(=O)NCC(=O)C 2da9b0181737be2a6f0a306a2b6bdda4 [0,2,0,0,0,0|2,0,0]=4 1048 B9R0.48 CCCC(=O)NCC(=O)N 5610a82535abef121600219256c9e7bf [0,2,0,0,0,0|2,0,0]=4 1049 B9R0.48 CCCC(=S)OCC(=O)O 1c62169da41f2cb2acdc293fd6559f2d [0,2,0,0,0,0|1,1,0]=4 1050 B9R0.48 CCCN(C)CCC(=O)O c326725f005578bca676b9f1f6f13638 [0,2,0,0,0,0|2,0,0]=4 1051 B9R0.48 CCNC(=O)CNC(=O)C 57792c8153adb6e80259374ddd295748 [0,2,0,0,0,0|2,0,0]=4 1052 B9R0.48 CCNC(C)CCC(=O)O 7dbe459581ff5b66cbefd9a1d696ad43 [0,2,0,0,0,0|1,0,1]=4 1053 B9R0.48 CCN[C@@H](C)CCC(=O)O c2d632f7e33174af2c524d9023ca075b [0,2,0,0,0,0|1,0,1]=4 1054 B9R0.48 CCOC(=O)CNC(=O)C eefea8b66cbae53eb0645dbc6dff51ca [0,2,0,0,0,0|1,0,0]=3 1055 B9R0.48 CCOC(C)CCC(=O)O 31641a6cc61a92f98818e768ef37979d [0,2,0,0,0,0|0,0,2]=4 1056 B9R0.48 CN(CC#N)CCC(=O)O 7ee855adb388b27d4f530ceef2499116 [0,2,0,0,0,0|2,0,0]=4 1057 B9R0.48 CN(CC=O)CCC(=O)N c42c3d074c2229f7210413477f630695 [0,2,0,0,0,0|2,0,0]=4 1058 B9R0.48 CN(CC=O)CCC(=O)O c2208c5f20eb019e9eb30d465cfc143b [0,2,0,0,0,0|1,0,0]=3 1059 B9R0.48 CN(CCF)CCC(=O)O 98b30d2a6b798aa5402f2613938994ad [0,2,0,0,0,0|2,0,0]=4 1060 B9R0.48 CN(CCO)CCC(=O)O dff5f325047c0f022e242f8ab09a0166 [0,2,0,0,0,0|1,0,1]=4 1061 B9R0.48 CN(CCS)CCC(=O)O 834e8dabd4decc6fedd4ae2dee1a1dfb [0,2,0,0,0,0|1,1,0]=4 1062 B9R0.48 COCC(=O)NCC(=O)C 9366c1fb376d52d38cd3913860d123e1 [0,2,0,0,0,0|1,0,0]=3 1063 B9R0.48 COCC(=O)NCC(=O)N 5cc19da597d28cd2bc7d7df00c52121b [0,2,0,0,0,0|2,0,0]=4 1064 B9R0.48 COCN(C)CCC(=O)O 0303bd9b3e27ba66031eea0a93003c39 [0,2,0,0,0,0|1,0,1]=4 1065 B9R0.48 CS(=O)CCC(=O)NC#N a6d99f3428177fa2986e49ab4fc09270 [0,2,0,0,0,0|2,0,0]=4 1066 B9R0.48 CSCC(=O)NCC(=O)C 7b8c1ea6125df084feb9a28e679bf8c5 [0,2,0,0,0,0|1,1,0]=4 1067 B9R0.48 CSCC(=O)NCC(=O)N 77b41fe33a5d4e16602364fcd119e4e5 [0,2,0,0,0,0|2,0,0]=4 1068 B9R0.48 CSCN(C)CCC(=O)O 014d9e48ffe569c3e580b87ffc15fcd1 [0,2,0,0,0,0|1,1,0]=4 1069 B9R0.48 C[C@@H](CCC(=O)O)NCF b06f766ae4850f0433b3999a4509184a [0,2,0,0,0,0|1,0,1]=4 1070 B9R0.48 N#CCC(=O)NCC(=O)N e7b25fd3c688ad0241ab4ae212d43509 [0,2,0,0,0,0|2,0,0]=4 1071 B9R0.48 N#CNC(=O)CCC(=O)N 0ce90a41f06e0c7fb4eec0b3e25ca88c [0,2,0,0,0,0|1,0,1]=4 1072 B9R0.48 N#CNC(=O)NCC(=O)O 4301507cbd7a15f9548e695315989cad [0,2,0,0,0,0|1,0,1]=4 1073 B9R0.48 NC(=O)CNC(=O)CC=O ad6a9580024d95dfe711d1d360ef3512 [0,2,0,0,0,0|2,0,0]=4 1074 B9R0.48 NC(=O)CNC(=O)CCF 2c39fb3b37725030134b2457d79fa36d [0,2,0,0,0,0|2,0,0]=4 1075 B9R0.48 NC(=O)CNC(=O)CCO e2cc3d05dd0d8a3f598fbe646a9bd246 [0,2,0,0,0,0|2,0,0]=4 1076 B9R0.48 NC(=O)CNC(=O)CCS bcaf0389aa332cf3b05d7dab40146212 [0,2,0,0,0,0|2,0,0]=4 1077 B9R0.48 NOCC(=O)NCC(=O)N d435b35534d521e10d97d672c14cda8d [0,2,0,0,0,0|2,0,0]=4 1078 B9R0.11 CC(=O)NC(C)(C)C(=O)C 865bdd400cec05e2da524a7b54388fb7 [0,2,0,0,0,0|2,0,0]=4 1079 B9R0.11 CC(=O)NC(C)(C)C(=O)N 25fe48aac8e8f9872ca7ebd0e70ba86a [0,2,0,0,0,0|2,0,0]=4 1080 B9R0.39 CC(=O)NC(C#N)C(=O)N 247e5e2d374395b6bd8d03db0be531f4 [0,2,0,0,0,0|2,0,0]=4 1081 B9R0.39 CC(=O)NC(CO)C(=O)N b1be17e2cc3eec340c1a5e7bfe0b60fc [0,2,0,0,0,0|2,0,0]=4 1082 B9R0.39 CC(=O)N[C@@H](CO)C(=O)N 9013b5089d8bde9709af251a0f900641 [0,2,0,0,0,0|2,0,0]=4 1083 B9R0.39 CCC(NC(=O)C)C(=O)N ced64f62e518b676f2ab6392de3182cf [0,2,0,0,0,0|2,0,0]=4 1084 B9R0.39 CC[C@H](NC(=O)C)C(=O)N 50b31a3ccc5975b35fc105a566b31dfa [0,2,0,0,0,0|2,0,0]=4 1085 B9R0.79 CC(=O)N(C)C(C)C(=O)N 394cd33031d6b14656e9699154728fb2 [0,2,0,0,0,0|2,0,0]=4 1086 B9R0.79 CC(=O)N(C)[C@@H](C)C(=O)N b34189397c26a800850ed09291c026cf [0,2,0,0,0,0|2,0,0]=4 1087 B9R1.35 CC(=O)N1CCC(C1)O d6f7e3e992ee3d9bc88f42beae2651f4 [0,0,0,1,0,1|1,0,1]=4 1088 B9R1.35 CC(=O)N1CC[C@@H](C1)O eba103538f34c1984ba106a2ce04ce40 [0,0,0,1,0,1|1,0,1]=4 1089 B9R1.35 CC(=O)N1CC[C@H](C1)O a7a4738d457ef17a95fd7f51dd477d8d [0,0,0,1,0,1|1,0,1]=4 1090 B9R1.46 CC1CC1NCC(=O)O 3bfaf8234ce2a2ce9175fc2c1a135a09 [0,0,0,1,0,1|1,0,1]=4 1091 B9R1.46 O=C(O)CN[C@@H]1C[C@H]1F a6c43cdb6b93e8ffb5565a60fb69e134 [0,0,0,1,0,1|1,0,1]=4 1092 B9R1.46 O=C(O)CN[C@H]1C[C@@H]1F 69d5a409f8843b0b8e9804d9f047552d [0,0,0,1,0,1|1,0,1]=4 1093 B9R1.46 O=C(O)CN[C@H]1C[C@H]1F cedd2a80fac675c783fcb497e5c8c7a7 [0,0,0,1,0,1|1,0,1]=4 1094 B9R1.53 CC(=O)NC1CC(C1)O 8799f4af3e0b6d09fbf8b9528ac7ebaa [0,0,0,1,0,1|1,0,1]=4 1095 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 8a924b3dc097e65a33d640e85c34f83f [0,0,0,1,0,1|1,0,1]=4 1096 B9R1.53 CC(=O)N[C@H]1C[C@H](C1)O fe9ddac170e9c08eaecbd11e2341ace8 [0,0,0,1,0,1|1,0,1]=4 1097 B9R1.53 O=C(O)CN1CC(C1)F bc7076e56d5dac9076928f37c7df6ae5 [0,0,0,1,0,1|1,0,1]=4 1098 B9R1.53 O=C(O)CN1CC(C1)O cd9cc5381132e3ab65c96da44eace8e8 [0,0,0,1,0,1|0,0,2]=4 1099 B9R1.85 O=C(O)CCNC1CC1 d7e51b454c1ee077c45877f37cbd9dbc [0,0,0,1,0,1|1,0,1]=4 1100 B9R1.85 O=C(O)CCOC1CC1 920ebb5ee7c45a619a1db975c9276d90 [0,0,0,1,0,1|1,0,1]=4 1101 B9R1.85 O=C(O)CNCC1CC1 8970904c8ad5ee5911fea5cdeb7d255c [0,0,0,1,0,1|1,0,1]=4 1102 B9R1.85 O=C(O)COCC1CC1 bc7f43afa7576a49960c4f48c84cf235 [0,0,0,1,0,1|1,0,1]=4 1103 B9R1.170 CC1(CN1CC(=O)O)C 3ccf565e03ddb18b56e78099947f70c7 [0,0,0,1,0,1|1,0,1]=4 1104 B9R1.67 CC(=O)N[C@H]1CNC1=O 86318f253af44e89c841fa6df70b952d [0,1,0,1,0,0|2,0,0]=4 1105 B9R1.84 O=C(O)CCN1CCC1 c7456b9216b4090bb9138555bed1407a [0,1,0,1,0,0|2,0,0]=4 1106 B9R1.95 CCN1CC(C1)C(=O)O 081311d3c14b920e24630a696a7ba3f7 [0,1,0,1,0,0|2,0,0]=4 1107 B9R1.95 NC(=O)C1CN(C1)C=O f2502a4b9700ccd6baf844161cf8ff4e [0,1,0,1,0,0|2,0,0]=4 1108 B9R1.95 O=C(O)C1CN(C1)CF 5858d7f931a4d75f836d678fe2360033 [0,1,0,1,0,0|2,0,0]=4 1109 B9R1.95 O=C(O)C1CN(C1)CO 464a11c339a26b6ec21bbe92982237ee [0,1,0,1,0,0|1,0,1]=4 1110 B9R0.55 C/C(=C/CNCC(=O)N)/I 5d470a066c8c57faf5038cc6e9ce73ba [0,0,0,0,0,2|2,0,0]=4 1111 B9R0.55 C/C(=C/CNCC(=O)O)/I a76d6dbc0e5328a9b8aa64ebd1b6c194 [0,0,0,0,0,2|1,0,0]=3 1112 B9R0.55 C/C(=C/COCC(=O)N)/Cl 2257e3681b28b7cb398fb87f47300a54 [0,0,0,0,0,2|2,0,0]=4 1113 B9R0.55 C/C(=C/COCC(=O)N)/I 25cd1c40941989f95e573390a12be3bb [0,0,0,0,0,2|2,0,0]=4 1114 B9R0.55 C/C(=C/COCC(=O)O)/Cl bdea4f5aeb03cc258b24f376652d8a21 [0,0,0,0,0,2|1,0,0]=3 1115 B9R0.55 C/C(=C/COCC(=O)O)/I 6bfad94351ed127d47214e042271c08e [0,0,0,0,0,2|1,0,0]=3 1116 B9R0.55 C/C(=C/COCS(=O)O)/I 59530b684799108a0c1c6b34732d1bd3 [0,0,0,0,0,2|2,0,0]=4 1117 B9R0.55 C/C(=C\CNCC(=O)N)/Cl 12304371a65b52ac9720b5fb05db8623 [0,0,0,0,0,2|2,0,0]=4 1118 B9R0.55 C/C(=C\CNCC(=O)O)/Cl 33489f0d342c5536f81ea090a2f820e8 [0,0,0,0,0,2|1,0,0]=3 1119 B9R0.55 C/C(=C\COCC(=O)N)/Cl 6dc17a576331b9cff97c1481c7e45adf [0,0,0,0,0,2|2,0,0]=4 1120 B9R0.55 C/C(=C\COCC(=O)O)/Cl 4fa34096288c6e1175d96996004a7d69 [0,0,0,0,0,2|1,0,0]=3 1121 B9R0.55 C/C(=C\COCS(=O)O)/Cl 58066313536dfe401be403d177761fba [0,0,0,0,0,2|2,0,0]=4 1122 B9R0.55 C=C(Br)CCOCC(=O)O a9e36997fe5836e0f9241f25906160f7 [0,0,0,0,0,2|1,0,1]=4 1123 B9R0.55 C=C(Br)CNCCC(=O)C 39822f5384ade9c78a7520db0c659c30 [0,0,0,0,0,2|2,0,0]=4 1124 B9R0.55 C=C(Br)CNCCC(=O)O 24d418da2c74050d4e807f3cdc1c65d8 [0,0,0,0,0,2|1,0,1]=4 1125 B9R0.55 C=C(Br)CNCOC(=O)C 66a04648ef1309d96651038dcafd8006 [0,0,0,0,0,2|2,0,0]=4 1126 B9R0.55 C=C(Br)COCCC(=O)C 3de7a9d2be91571b091b9406e173ccef [0,0,0,0,0,2|2,0,0]=4 1127 B9R0.55 C=C(Br)COCCC(=O)O fa101352e435d76fadec151481d8b4d9 [0,0,0,0,0,2|1,0,1]=4 1128 B9R0.55 C=C(Br)COCNC(=O)C a5aadae3cd23b788793f68d771ffa63b [0,0,0,0,0,2|2,0,0]=4 1129 B9R0.55 C=C(Br)COCOC(=O)C b6bf8ac7ea0c8916795c157000792e44 [0,0,0,0,0,2|2,0,0]=4 1130 B9R0.55 C=C(C)CCNCC(=O)C ecc5eaef95bd43b57450b718411d778a [0,0,0,0,0,2|2,0,0]=4 1131 B9R0.55 C=C(C)CCNCC(=O)N ca4965e13bd2acdb7d843062df458fed [0,0,0,0,0,2|2,0,0]=4 1132 B9R0.55 C=C(C)CCNCC(=O)O 14f79230f366d4f53483d592ca1209f4 [0,0,0,0,0,2|1,0,0]=3 1133 B9R0.55 C=C(C)CCOCC(=O)C 674e4ae6886ff1d2fa28b38381f83ac0 [0,0,0,0,0,2|2,0,0]=4 1134 B9R0.55 C=C(C)CCOCC(=O)N d33aa0dae0308277a86cd28962dc0582 [0,0,0,0,0,2|2,0,0]=4 1135 B9R0.55 C=C(C)CCOCC(=O)O d511df34cdc214eb72cb2dd39c037f73 [0,0,0,0,0,2|1,0,0]=3 1136 B9R0.55 C=C(C)CCOCS(=O)O ecbb5741a09ee7987ba5c1d0d0de517d [0,0,0,0,0,2|2,0,0]=4 1137 B9R0.55 C=C(C)CNCCC(=O)C 8f02e27a7c607dfc1a5bc61e972fbe37 [0,0,0,0,0,2|2,0,0]=4 1138 B9R0.55 C=C(C)CNCCC(=O)N 2b98860e45e58e139d93177c6c6c578a [0,0,0,0,0,2|2,0,0]=4 1139 B9R0.55 C=C(C)CNCCC(=O)O c94702ac8441eb8e035c8c88a218653b [0,0,0,0,0,2|1,0,0]=3 1140 B9R0.55 C=C(C)CNCCS(=O)O be713806f813a34f6e21929145611649 [0,0,0,0,0,2|2,0,0]=4 1141 B9R0.55 C=C(C)CNCOC(=O)C 99ad069ec9b09d4e775e7a2a21599591 [0,0,0,0,0,2|2,0,0]=4 1142 B9R0.55 C=C(C)CNCSC(=O)N 2cd73d5ea9cf1a557eb367a42a425930 [0,0,0,0,0,2|2,0,0]=4 1143 B9R0.55 C=C(C)COCCC(=O)C 70cdb13dc4d6f031583b0aab7b94bdad [0,0,0,0,0,2|2,0,0]=4 1144 B9R0.55 C=C(C)COCCC(=O)N 2711f42315610cfc7376cfa714d91ab6 [0,0,0,0,0,2|2,0,0]=4 1145 B9R0.55 C=C(C)COCCC(=O)O e23f99666316477d86f1528d4f6e582f [0,0,0,0,0,2|1,0,0]=3 1146 B9R0.55 C=C(C)COCNC(=O)C 9d3e2eefb9548d3d67bc31e1bb5c4c46 [0,0,0,0,0,2|2,0,0]=4 1147 B9R0.55 C=C(C)COCNC(=O)N e8fd7a566eeec62b517c9fc9c686fee8 [0,0,0,0,0,2|2,0,0]=4 1148 B9R0.55 C=C(C)COCOC(=O)C 76de808df68251924681929e50fc5329 [0,0,0,0,0,2|2,0,0]=4 1149 B9R0.55 C=C(C)COCSC(=O)N 513317d38b6835fe8d41ae0bd8ed5095 [0,0,0,0,0,2|2,0,0]=4 1150 B9R0.55 C=C(Cl)CNCCC(=O)O d7a8796dbf447df8169b63ab3acf3abc [0,0,0,0,0,2|1,0,1]=4 1151 B9R0.55 C=C(Cl)COCCC(=O)C 1d0a6b94806f8a7aaa04bfb13a539cc6 [0,0,0,0,0,2|2,0,0]=4 1152 B9R0.55 C=C(Cl)COCCC(=O)O 7e4609936e0015efd3cbad5e831ce239 [0,0,0,0,0,2|1,0,1]=4 1153 B9R0.55 C=C(Cl)COCNC(=O)C ba0467e019ff68e7887321022cc5dfcc [0,0,0,0,0,2|2,0,0]=4 1154 B9R0.55 C=C(Cl)COCOC(=O)C b3816b0262e0e33a362e3ff7ac9c5bab [0,0,0,0,0,2|2,0,0]=4 1155 B9R0.55 C=C(F)CNCCC(=O)O 0aeb2472ea35931086b539b89b183be7 [0,0,0,0,0,2|1,0,1]=4 1156 B9R0.55 C=C(F)COCCC(=O)C 14c6148d706193f8e2872ddcaa3c4b51 [0,0,0,0,0,2|2,0,0]=4 1157 B9R0.55 C=C(F)COCCC(=O)O e2dfc5b0ed80dc98b9e248c432aacba3 [0,0,0,0,0,2|1,0,1]=4 1158 B9R0.55 C=C(F)COCNC(=O)C 8b9022607cb2650ac4d02eff2a32a283 [0,0,0,0,0,2|2,0,0]=4 1159 B9R0.55 C=C(F)COCOC(=O)C 3d70d2bd13616e6491914214a82081ae [0,0,0,0,0,2|2,0,0]=4 1160 B9R0.55 C=C(I)COCCC(=O)C 042142a0d1d4ddb0dd2365906a1b7a4b [0,0,0,0,0,2|2,0,0]=4 1161 B9R0.55 C=C(I)COCCC(=O)O 3a5c69e24d6ce770f5447a1d28609b12 [0,0,0,0,0,2|1,0,1]=4 1162 B9R0.55 C=C(I)COCOC(=O)C 37725bb7d2500cee88b17e2b45865d50 [0,0,0,0,0,2|2,0,0]=4 1163 B9R0.55 CC(=CCNCC(=O)N)C f294be375a520a8636b9688190e6e936 [0,0,0,0,0,2|2,0,0]=4 1164 B9R0.55 CC(=CCNCC(=O)N)Cl a0e22eb292d81b1b600ec06891d9bc49 [0,0,0,0,0,2|2,0,0]=4 1165 B9R0.55 CC(=CCNCC(=O)N)I 6b58cb7c34f6eaf2865e1c1c6b527c06 [0,0,0,0,0,2|2,0,0]=4 1166 B9R0.55 CC(=CCNCC(=O)O)C eb2d4cd02024c6dd2f4bde47f5d99d0f [0,0,0,0,0,2|1,0,0]=3 1167 B9R0.55 CC(=CCNCC(=O)O)Cl 6d8afa17fed8b33a695b60b47587d586 [0,0,0,0,0,2|1,0,0]=3 1168 B9R0.55 CC(=CCNCC(=O)O)I e657b86155224eb6f1335bfe7dfa415c [0,0,0,0,0,2|1,0,0]=3 1169 B9R0.55 CC(=CCOCC(=O)N)C 651a60c3a1d6fa1f11063ec39a68e8ab [0,0,0,0,0,2|2,0,0]=4 1170 B9R0.55 CC(=CCOCC(=O)N)Cl 94c780c1a1b6bd8a8384b3dd69474d0c [0,0,0,0,0,2|2,0,0]=4 1171 B9R0.55 CC(=CCOCC(=O)N)I 4b05901808d683f116472fac0f6f8449 [0,0,0,0,0,2|2,0,0]=4 1172 B9R0.55 CC(=CCOCC(=O)O)C dd5792ad54701fa0e3373ee19c312e10 [0,0,0,0,0,2|1,0,0]=3 1173 B9R0.55 CC(=CCOCC(=O)O)Cl 694c1884a37ad5555ea5d980bc801c56 [0,0,0,0,0,2|1,0,0]=3 1174 B9R0.55 CC(=CCOCC(=O)O)I be3e61200a84664bfac9ff931641085e [0,0,0,0,0,2|1,0,0]=3 1175 B9R0.55 CC(=CCOCS(=O)O)C bba38f5b080fac2ce2c6fa8e5a394197 [0,0,0,0,0,2|2,0,0]=4 1176 B9R0.55 CC(=CCOCS(=O)O)Cl c66bcaf786b7583e0860ad6c6554c276 [0,0,0,0,0,2|2,0,0]=4 1177 B9R0.55 CC(=CCOCS(=O)O)I d88ce6731e4710dc3289ad8521d9bfa3 [0,0,0,0,0,2|2,0,0]=4 1178 B9R0.55 CC(=O)CCNCC(=O)C a214a75957335c42a991001b0d025dcf [0,0,0,0,0,2|1,0,0]=3 1179 B9R0.55 CC(=O)CCNCC(=O)N 883ed360f69e34416c89d3b52cc5ee69 [0,0,0,0,0,2|1,0,0]=3 1180 B9R0.55 CC(=O)CCNCC(=O)O 40694212f6627e29d6641d6f27eb6cbd [0,0,0,0,0,2|0,0,0]=2 1181 B9R0.55 CC(=O)CCNCC(C)O 1e4535b6e0ff075e7741b213424a4a2f [0,0,0,0,0,2|1,0,1]=4 1182 B9R0.55 CC(=O)CCNC[C@@H](C)O d673557cdbf1f592c8dda2f56361c517 [0,0,0,0,0,2|1,0,1]=4 1183 B9R0.55 CC(=O)CCNC[C@H](C)O 45bdb4c19b607b23643637f75b4e9707 [0,0,0,0,0,2|1,0,1]=4 1184 B9R0.55 CC(=O)CCOCC(=O)C 974441e375e1fad064766c61157f7015 [0,0,0,0,0,2|1,0,0]=3 1185 B9R0.55 CC(=O)CCOCC(=O)N 282ca2239418fd9eb0b111d82a9b4972 [0,0,0,0,0,2|1,0,0]=3 1186 B9R0.55 CC(=O)CCOCC(=O)O 9074473ccbed0d52dad15c2ee2e3d18e [0,0,0,0,0,2|0,0,0]=2 1187 B9R0.55 CC(=O)CCOCC(=S)N 0c4a9f788a97f83d8413fa066e608212 [0,0,0,0,0,2|1,1,0]=4 1188 B9R0.55 CC(=O)CCOCS(=O)O f6e9010978f00c1cf77b9647abda7b06 [0,0,0,0,0,2|1,0,0]=3 1189 B9R0.55 CC(=O)CCOC[N+](=O)[O-] 2d646f3e40e5b53351dc22833b19fc0e [0,0,0,0,0,2|1,0,1]=4 1190 B9R0.55 CC(=O)CNC/C=C(/C)\I 8fb64e54918c00681e3d99a3c8f3f6e7 [0,0,0,0,0,2|2,0,0]=4 1191 B9R0.55 CC(=O)CNC/C=C(\C)/Cl d5af9dace4c6258cda58df27975c2a9d [0,0,0,0,0,2|2,0,0]=4 1192 B9R0.55 CC(=O)CNCC=C(C)C 347004cda9a627e5bb1774daa03c36a7 [0,0,0,0,0,2|2,0,0]=4 1193 B9R0.55 CC(=O)CNCC=C(C)Cl ed56f7cfb59eb5667273b8a933d4b1cd [0,0,0,0,0,2|2,0,0]=4 1194 B9R0.55 CC(=O)CNCC=C(C)I f5c0e45984d261f29ab67880714cbfe7 [0,0,0,0,0,2|2,0,0]=4 1195 B9R0.55 CC(=O)CNCC=C(Cl)Cl 1a616c9f5f55e3b65bff557ea0431955 [0,0,0,0,0,2|2,0,0]=4 1196 B9R0.55 CC(=O)CNCCC(=O)N 131a7e451436a40baf4f4512e78ed898 [0,0,0,0,0,2|1,0,0]=3 1197 B9R0.55 CC(=O)CNCCC(=O)O f7e1177d8b3728ece360d0f60d2f3d30 [0,0,0,0,0,2|0,0,0]=2 1198 B9R0.55 CC(=O)CNCCC(C)O bb1baaff82472d97dc1cb89a36c3c257 [0,0,0,0,0,2|1,0,1]=4 1199 B9R0.55 CC(=O)CNCCS(=O)C c95eec6a0a25a386e2b31b5961a26e0c [0,0,0,0,0,2|2,0,0]=4 1200 B9R0.55 CC(=O)CNCOC(=O)C a9161550bc0d229e260db58308a89ece [0,0,0,0,0,2|1,0,0]=3 1201 B9R0.55 CC(=O)CNCSC(=O)N d04657b191cf6ccb90eae4a71ecc71f1 [0,0,0,0,0,2|1,0,0]=3 1202 B9R0.55 CC(=O)COC/C=C(/C)\I bf77f737e591ff0a0d331bb835a367ad [0,0,0,0,0,2|2,0,0]=4 1203 B9R0.55 CC(=O)COC/C=C(\C)/Cl 97820fc9c895056a3fd16fd9e20e1618 [0,0,0,0,0,2|2,0,0]=4 1204 B9R0.55 CC(=O)COCC=C(C)C 0a1951a5fbff0d63456134d260dabed0 [0,0,0,0,0,2|2,0,0]=4 1205 B9R0.55 CC(=O)COCC=C(C)Cl e65b9fb9d48377235c776a37400ea506 [0,0,0,0,0,2|2,0,0]=4 1206 B9R0.55 CC(=O)COCC=C(C)I ce06a8d2b82099f7ec14341909a196f6 [0,0,0,0,0,2|2,0,0]=4 1207 B9R0.55 CC(=O)COCC=C(Cl)Cl b3577abd038f0998f62badc7c4448821 [0,0,0,0,0,2|2,0,0]=4 1208 B9R0.55 CC(=O)COCCC(=O)N 1bca4404f8e823f3667de3d7a32641f4 [0,0,0,0,0,2|1,0,0]=3 1209 B9R0.55 CC(=O)COCCC(=O)O 9181529c791e851b859a70ea035f0690 [0,0,0,0,0,2|0,0,0]=2 1210 B9R0.55 CC(=O)COCCS(=O)C 43a8112de84e67bb0c3dafc01ea48cca [0,0,0,0,0,2|2,0,0]=4 1211 B9R0.55 CC(=O)COCOC(=O)C 0a6d1225fe7bef34fcb9b1c236dba034 [0,0,0,0,0,2|1,0,0]=3 1212 B9R0.55 CC(=O)COCSC(=O)N ed4c37baa9cf7498fea80d0f4092b67c [0,0,0,0,0,2|1,0,0]=3 1213 B9R0.55 CC(=O)NCCCC(=O)N b2e1a0ba0837c4a3760cbdc18a234480 [0,0,0,0,0,2|1,0,0]=3 1214 B9R0.55 CC(=O)NCCCS(=O)C 85ed7b7246ef0c021ed1278da00bdfcc [0,0,0,0,0,2|2,0,0]=4 1215 B9R0.55 CC(=O)NCCNC(=O)C 0321bfa08951e7410e51e8bd5f19cab9 [0,0,0,0,0,2|1,0,0]=3 1216 B9R0.55 CC(=O)NCCNC(=S)N 5dd4cf73537b28e3bcc4b9252ce5b60f [0,0,0,0,0,2|1,1,0]=4 1217 B9R0.55 CC(=O)NCOCC(=O)N 77b1de6b1dd1d9e88406c226df9bf41b [0,0,0,0,0,2|1,0,0]=3 1218 B9R0.55 CC(=O)NCOCC(=O)O 199bc2e8e5e1191f0ae1489131d4aa2e [0,0,0,0,0,2|0,0,0]=2 1219 B9R0.55 CC(=O)NCOC[N+](=O)[O-] 9e19909eeb342e2c75fb87ca7872e91a [0,0,0,0,0,2|1,0,1]=4 1220 B9R0.55 CC(=O)OCNCC(=O)N 232e9a2ddb08b4da6f7ca4e446499235 [0,0,0,0,0,2|1,0,0]=3 1221 B9R0.55 CC(=O)OCNCC(=O)O 931361d70c9f9259da3c0cb1999fabc7 [0,0,0,0,0,2|0,0,0]=2 1222 B9R0.55 CC(=O)OCNCC(C)O 9db9e7d06b2a8cad87a499ac08f0e412 [0,0,0,0,0,2|1,0,1]=4 1223 B9R0.55 CC(=O)OCNC[C@@H](C)O cf466a4403498827be8d51621b10fac5 [0,0,0,0,0,2|1,0,1]=4 1224 B9R0.55 CC(=O)OCNC[C@H](C)O 8d21f065d54dba23af256e127e2724b7 [0,0,0,0,0,2|1,0,1]=4 1225 B9R0.55 CC(=O)OCOCC(=O)N d52007acb020881c7af3682f9e955c44 [0,0,0,0,0,2|1,0,0]=3 1226 B9R0.55 CC(=O)OCOCC(=O)O 420aa58c3d791b706016f7c13dd202fe [0,0,0,0,0,2|0,0,0]=2 1227 B9R0.55 CC(=O)OCOCC(=S)N 5e1e980c0433942b9e60ac10350205e3 [0,0,0,0,0,2|1,1,0]=4 1228 B9R0.55 CC(=O)OCOCS(=O)O aac12a3c6a270dbc4a58bd80d063c80d [0,0,0,0,0,2|1,0,0]=3 1229 B9R0.55 CC(C)CCNCC(=O)O bae9df2f573f745ee71bdebc170a935b [0,0,0,0,0,2|1,0,1]=4 1230 B9R0.55 CC(C)CCOCC(=O)O e88766c3f11bcdb2fdb3cb88ad21cf09 [0,0,0,0,0,2|1,0,1]=4 1231 B9R0.55 CC(C)CNCCC(=O)O c1d65499ae131aec028ce1008fad9272 [0,0,0,0,0,2|1,0,1]=4 1232 B9R0.55 CC(C)COCCC(=O)O 1a7492ddc84059d0e80957dca0a4ad8a [0,0,0,0,0,2|1,0,1]=4 1233 B9R0.55 CC(C)NCCCC(=O)O 01eb41f71d44f45aa45fe88cad39755b [0,0,0,0,0,2|1,0,1]=4 1234 B9R0.55 CC(C)OCNCC(=O)O 116e31958898eaa4d243bb8a4f561aab [0,0,0,0,0,2|1,0,1]=4 1235 B9R0.55 CC(C)OCOCC(=O)O 185be0dff94a3b667aca878d046b91c5 [0,0,0,0,0,2|1,0,1]=4 1236 B9R0.55 CC(F)COCCC(=O)O 576299124ecf48074968b3f5485a6420 [0,0,0,0,0,2|1,0,1]=4 1237 B9R0.55 CC(O)CCNCC(=O)O f5b9d99827273ca6405b63a402359712 [0,0,0,0,0,2|0,0,2]=4 1238 B9R0.55 CC(O)CNCCC(=O)O 5882e34934c12d2feca68ee09fe20110 [0,0,0,0,0,2|0,0,2]=4 1239 B9R0.55 CC(S)COCCC(=O)O b635c1384c7caeef54ad902ade79227f [0,0,0,0,0,2|0,1,1]=4 1240 B9R0.55 CN(C)CCNCC(=O)O 634f8ba28991fe4a91743dfcd1ec664b [0,0,0,0,0,2|2,0,0]=4 1241 B9R0.55 CN(C)CCOCC(=O)O 841429c0c14a54a981cd653dba3ce73c [0,0,0,0,0,2|2,0,0]=4 1242 B9R0.55 CN(C)CNCCC(=O)O f2f92c2697e6f0a8922b2579c214314b [0,0,0,0,0,2|2,0,0]=4 1243 B9R0.55 CN(C)COCCC(=O)O 2dce7716534601e6d7ec7d3859ddf712 [0,0,0,0,0,2|2,0,0]=4 1244 B9R0.55 CS(=O)CCNCC(=O)N 5ff553f3a3e2971245c2dc36e6f09447 [0,0,0,0,0,2|2,0,0]=4 1245 B9R0.55 CS(=O)CCNCC(=O)O d14fa2db8bf0bb5b19c1028796e497cd [0,0,0,0,0,2|1,0,0]=3 1246 B9R0.55 CS(=O)CCOCC(=O)N d0e0955eadbed6d9fc578851725fa08f [0,0,0,0,0,2|2,0,0]=4 1247 B9R0.55 CS(=O)CCOCC(=O)O 52722d02a38e3b2fdc3782816d19eb63 [0,0,0,0,0,2|1,0,0]=3 1248 B9R0.55 CS(=O)CCOCS(=O)O 35e68ba315787f2d1d9ba7cf9ca62ef1 [0,0,0,0,0,2|2,0,0]=4 1249 B9R0.55 C[C@@H](F)COCCC(=O)O 34c340ab2328f74479e9fcc514019d74 [0,0,0,0,0,2|1,0,1]=4 1250 B9R0.55 C[C@@H](O)CCNCC(=O)O 6cb5155f5967c169f19da87fcc6fe141 [0,0,0,0,0,2|0,0,2]=4 1251 B9R0.55 C[C@@H](O)CNCCC(=O)O 89bce0b12fdfcc97280f28e831e10e33 [0,0,0,0,0,2|0,0,2]=4 1252 B9R0.55 C[C@H](F)COCCC(=O)O c8248d4a649741bb9f67d6321d2c0f56 [0,0,0,0,0,2|1,0,1]=4 1253 B9R0.55 C[C@H](O)CCNCC(=O)O ee12b5275e40fded6221f388dcb65b90 [0,0,0,0,0,2|0,0,2]=4 1254 B9R0.55 C[C@H](O)CNCCC(=O)O 1700bfa1d15f33a96885ae735b30c8fc [0,0,0,0,0,2|0,0,2]=4 1255 B9R0.55 NC(=O)CCNCC(=O)N 6c7ac63dfb77e7ac00602408a99f0adc [0,0,0,0,0,2|2,0,0]=4 1256 B9R0.55 NC(=O)CCNCC(=O)O 0548630220f8ca730429d726b818a8af [0,0,0,0,0,2|1,0,0]=3 1257 B9R0.55 NC(=O)CCOCC(=O)N 36c84468c7e688748ada21c4e36d80fc [0,0,0,0,0,2|2,0,0]=4 1258 B9R0.55 NC(=O)CCOCC(=O)O e1e06485f8b6feaac7b45933a9f0ab14 [0,0,0,0,0,2|1,0,0]=3 1259 B9R0.55 NC(=O)CCOCS(=O)O 2517773237e3b41673f2d1d3826e8f86 [0,0,0,0,0,2|2,0,0]=4 1260 B9R0.55 NC(=O)CNCCC(=O)O 2ba606c8f6665fb6dce79962b1dc62fe [0,0,0,0,0,2|1,0,0]=3 1261 B9R0.55 NC(=O)CNCCS(=O)O 59037be157a13e246524cf4659449e32 [0,0,0,0,0,2|2,0,0]=4 1262 B9R0.55 NC(=O)CNCSC(=O)N bda62a01e65a50a5d9fe5c19c9376a90 [0,0,0,0,0,2|2,0,0]=4 1263 B9R0.55 NC(=O)COCCC(=O)O 5888c606ee8d1d7646cca4bfa757c6be [0,0,0,0,0,2|1,0,0]=3 1264 B9R0.55 NC(=O)COCNC(=O)N 50e06ae82509157dafb89b981bebf10e [0,0,0,0,0,2|2,0,0]=4 1265 B9R0.55 NC(=O)COCSC(=O)N afec02b504930521c746ada1a5fef6df [0,0,0,0,0,2|2,0,0]=4 1266 B9R0.55 NC(=O)NCOCC(=O)O aa1d067641223fda4e4dc0e730e5d693 [0,0,0,0,0,2|1,0,0]=3 1267 B9R0.55 NC(=O)SCNCC(=O)O 762bc44e3fef9e4ec20bdcff92d70b03 [0,0,0,0,0,2|1,0,0]=3 1268 B9R0.55 NC(=O)SCOCS(=O)O 6c07038bbc68a2c08a2af59997d542e0 [0,0,0,0,0,2|2,0,0]=4 1269 B9R0.55 NC(=S)CCNCC(=O)O 612ed27813c3086dd8e4bdb29636b2a4 [0,0,0,0,0,2|1,1,0]=4 1270 B9R0.55 NC(=S)COCCC(=O)O ebe51905059637175c84868e10b683b2 [0,0,0,0,0,2|1,1,0]=4 1271 B9R0.55 O=C(O)CCNCC(=O)O 43f65cc1fd2997c2e3d09ce76b5140c2 [0,0,0,0,0,2|1,0,0]=3 1272 B9R0.55 O=C(O)CCNC[N+](=O)[O-] aaa441c72228b6a93878e5f40b95518e [0,0,0,0,0,2|2,0,0]=4 1273 B9R0.55 O=C(O)CCOCC(=O)O 4d49b71bab3c022809a84bb2137ebcf3 [0,0,0,0,0,2|1,0,0]=3 1274 B9R0.55 O=C(O)CCOCS(=O)O a5aed27d8af157fdb76b17dd1d22fed6 [0,0,0,0,0,2|2,0,0]=4 1275 B9R0.55 O=C(O)CCOC[N+](=O)[O-] d9ebdfb16718f1d60c6cc919323abb2e [0,0,0,0,0,2|2,0,0]=4 1276 B9R0.55 O=C(O)CNCC=C(Cl)Cl dea90aa16c7c8202323dad7ce99009f2 [0,0,0,0,0,2|2,0,0]=4 1277 B9R0.55 O=C(O)CNCCS(=O)O 888280bc8115e1a96669c6f2b9e6d21f [0,0,0,0,0,2|2,0,0]=4 1278 B9R0.55 O=C(O)COCC=C(Cl)Cl dab45238d99e1de543d9e0b54c049d3c [0,0,0,0,0,2|2,0,0]=4 1279 B9R0.55 O=C(O)COCC[N+](=O)[O-] 6c820a377a8eae7513d16b0e0031ec61 [0,0,0,0,0,2|2,0,0]=4