0 B9R1.1 CC1CCN(CC1)C=O cd1885c4b5a60655a81f4f7aac11f926 [0,1,0,0,0,0|1,0,0]=2 1 B9R1.1 CC1CCN(CC1)CF ba646efe21bea01afbd9f0784f1ddf69 [0,1,0,0,0,0|2,0,0]=3 2 B9R1.1 CC1CCN(CC1)CO 26b7dfa38ac2efd8f0c6b91628c67d49 [0,1,0,0,0,0|1,0,1]=3 3 B9R1.1 CCN1CC=C(CC1)Br f13eef64baa3f192becc16ff7336bfe3 [0,1,0,0,0,0|2,0,1]=4 4 B9R1.1 CCN1CCC(CC1)C a577c2cc6fb3debcbb948a1b7bbb62d2 [0,1,0,0,0,0|2,0,0]=3 5 B9R1.1 CCN1CCC(CC1)Cl 3956ea1f3ace4fa78a56626a2ff87699 [0,1,0,0,0,0|2,0,1]=4 6 B9R1.1 CCN1CCC(CC1)F 6a91477713620c575e23ba80546f7811 [0,1,0,0,0,0|2,0,1]=4 7 B9R1.1 CCN1CCC(CC1)I c954b3dcc5466efe509bdf2291379c31 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.1 CCN1CCC(CC1)O 4da5eaa0cc000ad7f1b24ad00a3ade1d [0,1,0,0,0,0|1,0,2]=4 9 B9R1.1 CCN1CCN(CC1)C e46352d3f5445022fefcfcf19a75abbd [0,1,0,0,0,0|3,0,0]=4 10 B9R1.1 CN1CCN(CC1)C=O 425b0a0854116b4d34ccf791328ead5e [0,1,0,0,0,0|2,0,0]=3 11 B9R1.1 CN1CCN(CC1)CF 96674df02cfcd642dca5f0bbe5bbf165 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.1 CN1CCN(CC1)CO 01db1e442ebb859eccd54ce206f3e555 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.1 FCN1CC=C(CC1)Br d9274759d2cf186e87f07845e278f859 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.1 FCN1CCC(CC1)Cl a165c4a45e087277a8d7e227c8c747dd [0,1,0,0,0,0|2,0,1]=4 15 B9R1.1 FCN1CCC(CC1)F 3c6521aa7595091a40501967a4b6b255 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.1 FCN1CCC(CC1)I baa5ba51c0447659d2f2190d7bfadc11 [0,1,0,0,0,0|2,0,1]=4 17 B9R1.1 O=CN1CCC(CC1)Cl 0f8885b1cbec326e72007210720ce685 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.1 O=CN1CCC(CC1)F a8375fcd63170cc85e942f6f795820d2 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.1 O=CN1CCC(CC1)I 09840532f9aae62595854240e3123351 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.1 O=CN1CCC(CC1)O 9119fcb5a9f758b718576c8b3456fe09 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.1 OC1CCN(CC1)CF 0e6bf0c37f3fe2afbf92a30fc3724715 [0,1,0,0,0,0|1,0,2]=4 22 B9R1.1 OCN1CC=C(CC1)Br fd290316ab438d4bed9240af9fbab26f [0,1,0,0,0,0|2,0,1]=4 23 B9R1.1 OCN1CCC(CC1)Cl 737658df764a220dd5cc1d26b1bde051 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.1 OCN1CCC(CC1)F 2cd1b296555734462ecd117608b0f95f [0,1,0,0,0,0|2,0,1]=4 25 B9R1.1 OCN1CCC(CC1)I c5a53019f2579defd4a18520dfc32ef9 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.1 OCN1CCC(CC1)O 8c9fdfb456137554f80d512222114412 [0,1,0,0,0,0|1,0,2]=4 27 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,0,1,0,0,0|1,0,2]=4 28 B7R0.3 C#CC(C)NCC=O ee5942f89b23fd86f41ead0eb91f1f2e [0,0,1,0,0,0|1,0,2]=4 29 B7R0.3 C#CC(C)OCC=O ba88f9e6c584cf37d447c8f942df3466 [0,0,1,0,0,0|1,0,2]=4 30 B7R0.3 C#CCCN(C)CC 01ca83eb61fbc9c94adbced8a51db44e [0,0,1,0,0,0|2,0,1]=4 31 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [0,0,1,0,0,0|1,0,2]=4 32 B7R0.3 C#CCNC(C)CC 1c8cf786a7bf62a91e9eb3f09e0e4cb9 [0,0,1,0,0,0|2,0,1]=4 33 B7R0.3 C#CCN[C@@H](C)CC 48b5b4e4c3419c4d390c7be2cfb833e7 [0,0,1,0,0,0|2,0,1]=4 34 B7R0.3 C#CCN[C@H](C)CC 301aa888349cf4ee28848f6c9d611572 [0,0,1,0,0,0|2,0,1]=4 35 B7R0.3 C#CCOC(C)CC 59388fb49cbbdba7f912f977834cecae [0,0,1,0,0,0|2,0,1]=4 36 B7R0.3 C#CCO[C@@H](C)CC 0638932b66273b5968485ec5247ca338 [0,0,1,0,0,0|2,0,1]=4 37 B7R0.3 C#CCO[C@H](C)CC 846e054615825e240b725005682063ae [0,0,1,0,0,0|2,0,1]=4 38 B7R0.3 C#C[C@@H](C)NCC=O 5e75d1c6c4c57369266bed642bd09c8c [0,0,1,0,0,0|1,0,2]=4 39 B7R0.3 C#C[C@@H](C)OCC=O e5dc09536c65fde58fa0a450d6db7a37 [0,0,1,0,0,0|1,0,2]=4 40 B7R0.3 C#C[C@H](C)NCC=O a08e4dd67e9c6ea8e5647895c6d0c01d [0,0,1,0,0,0|1,0,2]=4 41 B7R0.3 C#C[C@H](C)OCC=O 0416c8a6869357496f6fa27d6441617b [0,0,1,0,0,0|1,0,2]=4 42 B7R0.3 C/C=C/CN(C)CC a833def0c5a9483904429a6d4fa647bf [0,0,1,0,0,0|2,0,1]=4 43 B7R0.3 C/C=C\CN(C)CC 0d52835f1d4ec546901139cc9ef0efe3 [0,0,1,0,0,0|2,0,1]=4 44 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,0,1,0,0,0|1,0,2]=4 45 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [0,0,1,0,0,0|1,0,2]=4 46 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [0,0,1,0,0,0|1,0,2]=4 47 B7R0.3 C=CCCN(C)CC 224a5773b1b84beacfc8f44066799c60 [0,0,1,0,0,0|2,0,0]=3 48 B7R0.3 C=CCCN(C)CF 5463399a5f95f1fae09b7b6e3e379754 [0,0,1,0,0,0|3,0,0]=4 49 B7R0.3 C=CCCN(C)CO 579b9235661212985211ec5a8a4dba41 [0,0,1,0,0,0|3,0,0]=4 50 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [0,0,1,0,0,0|2,0,0]=3 51 B7R0.3 C=CCNC(C)CO a948e20f9bd4754ec87302b6fdce81b3 [0,0,1,0,0,0|3,0,0]=4 52 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [0,0,1,0,0,0|2,0,0]=3 53 B7R0.3 C=CCN[C@@H](C)CO e3ac2dff9fa8b94ad1bb6f4b16ad0799 [0,0,1,0,0,0|3,0,0]=4 54 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [0,0,1,0,0,0|2,0,0]=3 55 B7R0.3 C=CCN[C@H](C)CO 45438ab57072f0e042c82a4659374125 [0,0,1,0,0,0|3,0,0]=4 56 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [0,0,1,0,0,0|2,0,0]=3 57 B7R0.3 C=CCOC(C)CF fb11bf0cefab4ea0e38b93cfcee01743 [0,0,1,0,0,0|3,0,0]=4 58 B7R0.3 C=CCOC(C)CS 0ddb9af989e9e9c33b24b66863a996b5 [0,0,1,0,0,0|3,0,0]=4 59 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [0,0,1,0,0,0|2,0,0]=3 60 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [0,0,1,0,0,0|2,0,0]=3 61 B7R0.3 C=CCO[C@H](C)CS fd43ed19bf853317b3a063b2977abf8d [0,0,1,0,0,0|3,0,0]=4 62 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [0,0,1,0,0,0|1,0,2]=4 63 B7R0.3 CC(C#N)NCC=O 69c055aa64463f8147e8c2a5cf4caa1a [0,0,1,0,0,0|2,0,1]=4 64 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [0,0,1,0,0,0|2,0,1]=4 65 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [0,0,1,0,0,0|2,0,0]=3 66 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [0,0,1,0,0,0|2,0,0]=3 67 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [0,0,1,0,0,0|2,0,0]=3 68 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [0,0,1,0,0,0|2,0,0]=3 69 B7R0.3 CCC(=O)CNC#N 5c4d1d2cbca480d29fea538bd5160350 [0,0,1,0,0,0|2,0,1]=4 70 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,0,1,0,0,0|2,0,0]=3 71 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [0,0,1,0,0,0|2,0,1]=4 72 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,0,1,0,0,0|2,0,0]=3 73 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,0,1,0,0,0|2,0,0]=3 74 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,0,1,0,0,0|2,0,0]=3 75 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,0,1,0,0,0|2,0,0]=3 76 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,0,1,0,0,0|2,0,0]=3 77 B7R0.3 CCC(C)CNC#N 2745cea8547630c0663889b1b93db18f [0,0,1,0,0,0|2,0,1]=4 78 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [0,0,1,0,0,0|1,0,0]=2 79 B7R0.3 CCC(C)CNCF b50ea40d2446dde4a785720e8c9ab76e [0,0,1,0,0,0|2,0,1]=4 80 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,0,1,0,0,0|1,0,2]=4 81 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [0,0,1,0,0,0|2,0,1]=4 82 B7R0.3 CCC(C)NCC#N 9dccc3b7b0f5034900215eb41b1410b6 [0,0,1,0,0,0|2,0,1]=4 83 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [0,0,1,0,0,0|1,0,0]=2 84 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [0,0,1,0,0,0|2,0,1]=4 85 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [0,0,1,0,0,0|2,0,1]=4 86 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [0,0,1,0,0,0|2,0,1]=4 87 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,0,1,0,0,0|1,0,2]=4 88 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [0,0,1,0,0,0|1,1,1]=4 89 B7R0.3 CCC(C)NCOC 7706fa764743624f662862fda01b7a28 [0,0,1,0,0,0|3,0,0]=4 90 B7R0.3 CCC(C)NCSC c04eb7da5ed0a2a03e68485c2016666a [0,0,1,0,0,0|3,0,0]=4 91 B7R0.3 CCC(C)OCC#N 50ba24c28a608cb499d346735f93665e [0,0,1,0,0,0|2,0,1]=4 92 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [0,0,1,0,0,0|1,0,0]=2 93 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,0,1,0,0,0|2,0,1]=4 94 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,0,1,0,0,0|1,1,1]=4 95 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,0,1,0,0,0|3,0,0]=4 96 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,0,1,0,0,0|3,0,0]=4 97 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [0,0,1,0,0,0|2,0,0]=3 98 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [0,0,1,0,0,0|2,0,0]=3 99 B7R0.3 CCCCN(C)CF be372279d4be2902bb76b9de8a48abc5 [0,0,1,0,0,0|3,0,0]=4 100 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [0,0,1,0,0,0|3,0,0]=4 101 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,0,1,0,0,0|2,0,1]=4 102 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,0,1,0,0,0|1,0,0]=2 103 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,0,1,0,0,0|2,0,0]=3 104 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,0,1,0,0,0|2,0,0]=3 105 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,0,1,0,0,0|2,0,0]=3 106 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,0,1,0,0,0|2,0,1]=4 107 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,0,1,0,0,0|2,0,1]=4 108 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,0,1,0,0,0|2,0,1]=4 109 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,0,1,0,0,0|2,0,1]=4 110 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,0,1,0,0,0|2,0,1]=4 111 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,0,1,0,0,0|2,0,1]=4 112 B7R0.3 CCN(C)C/C=C/Cl 823585dad91397251f5e992cc63297db [0,0,1,0,0,0|2,0,1]=4 113 B7R0.3 CCN(C)C/C=C\Cl c5e2db65672dae81ab8ccdee907a4957 [0,0,1,0,0,0|2,0,1]=4 114 B7R0.3 CCN(C)C/C=C\O 60deab8000357700021216d9934790c2 [0,0,1,0,0,0|1,0,2]=4 115 B7R0.3 CCN(C)CCC#N 911157a043342786564f3eb320b58369 [0,0,1,0,0,0|2,0,1]=4 116 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [0,0,1,0,0,0|1,0,0]=2 117 B7R0.3 CCN(C)CCCF 58d987982e58376deaac7a021f590114 [0,0,1,0,0,0|2,0,1]=4 118 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [0,0,1,0,0,0|1,0,2]=4 119 B7R0.3 CCN(C)CCCS 4332e180b042c428772cc564602cf5d6 [0,0,1,0,0,0|1,1,1]=4 120 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [0,0,1,0,0,0|3,0,0]=4 121 B7R0.3 CCN(C)CCON dca6e8ee84d04b2409e73b61f0963e17 [0,0,1,0,0,0|3,0,0]=4 122 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [0,0,1,0,0,0|3,0,0]=4 123 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,0,1,0,0,0|2,0,0]=3 124 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,0,1,0,0,0|3,0,0]=4 125 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,0,1,0,0,0|2,0,0]=3 126 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [0,0,1,0,0,0|2,0,1]=4 127 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [0,0,1,0,0,0|1,0,2]=4 128 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [0,0,1,0,0,0|2,0,1]=4 129 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [0,0,1,0,0,0|1,0,2]=4 130 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,0,1,0,0,0|1,0,0]=2 131 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,0,1,0,0,0|2,0,0]=3 132 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,0,1,0,0,0|2,0,0]=3 133 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,0,1,0,0,0|2,0,1]=4 134 B7R0.3 CCOCN(C)CC 943ae7cd82ee7e4032615894df227ae8 [0,0,1,0,0,0|3,0,0]=4 135 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,0,1,0,0,0|2,0,1]=4 136 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,0,1,0,0,0|2,0,1]=4 137 B7R0.3 CC[C@@H](C)CNC#N c544182635f262c6345531d07f549545 [0,0,1,0,0,0|2,0,1]=4 138 B7R0.3 CC[C@@H](C)COCF 27ee9a97e87757a57bbd2473b47c8a0b [0,0,1,0,0,0|2,0,1]=4 139 B7R0.3 CC[C@@H](C)NCC#N 349bbcd477486d683d830b5721177924 [0,0,1,0,0,0|2,0,1]=4 140 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [0,0,1,0,0,0|1,0,0]=2 141 B7R0.3 CC[C@@H](C)NCCF 93d07692499e3b9aec2552214e2ff53f [0,0,1,0,0,0|2,0,1]=4 142 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [0,0,1,0,0,0|1,0,2]=4 143 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [0,0,1,0,0,0|1,1,1]=4 144 B7R0.3 CC[C@@H](C)NCOC 6f18e43812c50f5929ea1f0282d55276 [0,0,1,0,0,0|3,0,0]=4 145 B7R0.3 CC[C@@H](C)NCSC b2ccc0121f9ed49266567b6f15a655a0 [0,0,1,0,0,0|3,0,0]=4 146 B7R0.3 CC[C@@H](C)OCC#N 967f2c3fca95251181598ab565d2caef [0,0,1,0,0,0|2,0,1]=4 147 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [0,0,1,0,0,0|1,0,0]=2 148 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,0,1,0,0,0|2,0,1]=4 149 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,0,1,0,0,0|1,1,1]=4 150 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,0,1,0,0,0|3,0,0]=4 151 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,0,1,0,0,0|3,0,0]=4 152 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [0,0,1,0,0,0|2,0,0]=3 153 B7R0.3 CC[C@H](C)CNC#N 2d01ca5f7fbda4ac4ea7b7d65717717e [0,0,1,0,0,0|2,0,1]=4 154 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [0,0,1,0,0,0|1,0,0]=2 155 B7R0.3 CC[C@H](C)CNCF d271465589c016cce21e3753bb72dfde [0,0,1,0,0,0|2,0,1]=4 156 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [0,0,1,0,0,0|1,0,2]=4 157 B7R0.3 CC[C@H](C)COCF 4d1b50442964dee0f36120907b5bf9ca [0,0,1,0,0,0|2,0,1]=4 158 B7R0.3 CC[C@H](C)NCC#N 79fe87b82bd2f5a7dcac84c0d29fce58 [0,0,1,0,0,0|2,0,1]=4 159 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [0,0,1,0,0,0|1,0,0]=2 160 B7R0.3 CC[C@H](C)NCCF c11007e79ee49cb1e974e79b53eb68c8 [0,0,1,0,0,0|2,0,1]=4 161 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [0,0,1,0,0,0|1,0,2]=4 162 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [0,0,1,0,0,0|1,1,1]=4 163 B7R0.3 CC[C@H](C)NCOC 487baefd593a366fd401fe5a0b33d07a [0,0,1,0,0,0|3,0,0]=4 164 B7R0.3 CC[C@H](C)NCSC b4999c020810a33e4d86f949175dda2d [0,0,1,0,0,0|3,0,0]=4 165 B7R0.3 CC[C@H](C)OCC#N ea9aeb285d0ece3233263861719aeec4 [0,0,1,0,0,0|2,0,1]=4 166 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [0,0,1,0,0,0|1,0,0]=2 167 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,0,1,0,0,0|2,0,1]=4 168 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,0,1,0,0,0|1,1,1]=4 169 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,0,1,0,0,0|3,0,0]=4 170 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,0,1,0,0,0|3,0,0]=4 171 B7R0.3 CNC(=O)CNCF d5935a4dfdc95c99073aff1d972a237b [0,0,1,0,0,0|3,0,0]=4 172 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,0,1,0,0,0|3,0,0]=4 173 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [0,0,1,0,0,0|3,0,0]=4 174 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [0,0,1,0,0,0|3,0,0]=4 175 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,0,1,0,0,0|3,0,0]=4 176 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [0,0,1,0,0,0|3,0,0]=4 177 B7R0.3 CO[C@@H](C)CNC=O cbdf409ea735afb7a574d69375fb28db [0,0,1,0,0,0|2,0,0]=3 178 B7R0.3 CO[C@H](C)CNC=O 943b01dc3bd1c6157c7dfb62f870e0a6 [0,0,1,0,0,0|2,0,0]=3 179 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [0,0,1,0,0,0|2,0,0]=3 180 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [0,0,1,0,0,0|2,0,0]=3 181 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [0,0,1,0,0,0|2,0,0]=3 182 B7R0.3 C[C@H](CS)OCC=O 54b8c633a4f5d8e7a615987326df81f2 [0,0,1,0,0,0|2,0,0]=3 183 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,0,1,0,0,0|3,0,0]=4 184 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,0,1,0,0,0|3,0,0]=4 185 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,0,1,0,0,0|3,0,0]=4 186 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,0,1,0,0,0|3,0,0]=4 187 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,0,1,0,0,0|3,0,0]=4 188 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,0,1,0,0,0|3,0,0]=4 189 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,0,1,0,0,0|3,0,0]=4 190 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,0,1,0,0,0|3,0,0]=4 191 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,0,1,0,0,0|3,0,0]=4 192 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,0,1,0,0,0|3,0,0]=4 193 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,0,1,0,0,0|3,0,0]=4 194 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,0,1,0,0,0|3,0,0]=4 195 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,0,1,0,0,0|3,0,0]=4 196 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,0,1,0,0,0|3,0,0]=4 197 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,0,1,0,0,0|3,0,0]=4 198 B7R0.3 O=CNCC(Br)CBr 93597cc22f25c51d1dc8b5845ef56682 [0,0,1,0,0,0|3,0,0]=4 199 B7R0.3 O=CNCC(F)CO 20b10b91868850c2fa4696a502438329 [0,0,1,0,0,0|3,0,0]=4 200 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [0,0,1,0,0,0|3,0,0]=4 201 B7R0.3 O=CNC[C@@H](F)CO fe3e6de1ebe35bf08c36352dbce26e10 [0,0,1,0,0,0|3,0,0]=4 202 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [0,0,1,0,0,0|3,0,0]=4 203 B7R0.3 O=CNC[C@H](F)CO 22ed73e19a0bc3d8fec3d0ab621da9c9 [0,0,1,0,0,0|3,0,0]=4 204 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [0,0,1,0,0,0|3,0,0]=4 205 B7R0.6 C=C(Br)CNC(C)C c11e07a13ecc707bc58321e025560b63 [0,0,1,0,0,0|2,0,1]=4 206 B7R0.6 C=C(Br)COC(C)C 85740d76b7c2437207f473c522fb5652 [0,0,1,0,0,0|2,0,1]=4 207 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [0,0,1,0,0,0|1,0,2]=4 208 B7R0.6 C=C(C)CNC(C)C a1a7325d3d8a8203023e8236e36cdc1a [0,0,1,0,0,0|2,0,0]=3 209 B7R0.6 C=C(C)COC(C)C 1163708fe8e5f25f773925b58859ae9a [0,0,1,0,0,0|2,0,0]=3 210 B7R0.6 C=C(Cl)COC(C)C 83e9098a63a39f58f2f10cb0166f135d [0,0,1,0,0,0|2,0,1]=4 211 B7R0.6 C=C(I)COC(C)C 638d63b8c7c0ebdc1a903379afb5a44c [0,0,1,0,0,0|2,0,1]=4 212 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,0,1,0,0,0|2,0,1]=4 213 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,0,1,0,0,0|1,0,0]=2 214 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,0,1,0,0,0|1,0,0]=2 215 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,0,1,0,0,0|1,0,0]=2 216 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,0,1,0,0,0|2,0,0]=3 217 B7R0.6 CC(=O)NCC(F)F 959be05a9a4844ba21e7e7426b42132e [0,0,1,0,0,0|3,0,0]=4 218 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,0,1,0,0,0|2,0,0]=3 219 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,0,1,0,0,0|2,0,0]=3 220 B7R0.6 CC(C)CNC(C)C 196a13ba094adf361c17685c0872f24d [0,0,1,0,0,0|2,0,1]=4 221 B7R0.6 CC(C)COC(C)C 77eecc331fd01778c375925278ff8a8b [0,0,1,0,0,0|2,0,1]=4 222 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,0,1,0,0,0|2,0,0]=3 223 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,0,1,0,0,0|2,0,0]=3 224 B7R0.6 CC(C)NC[C@@H](C)O 78cb9f10bba40f82bff406bb1347d28d [0,0,1,0,0,0|1,0,2]=4 225 B7R0.6 CC(C)NC[C@H](C)O 0239ae5afc06334e0336f0743f1e175c [0,0,1,0,0,0|1,0,2]=4 226 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,0,1,0,0,0|2,0,0]=3 227 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,0,1,0,0,0|2,0,0]=3 228 B7R0.6 CC(C)OCC(=S)N 1cbdee4d5c3385daad7ba959afed69ee [0,0,1,0,0,0|2,1,0]=4 229 B7R0.6 CC(C)OCN(C)C 10d50f079b7aea6fe97d70fc778c501b [0,0,1,0,0,0|3,0,0]=4 230 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [0,0,1,0,0,0|3,0,0]=4 231 B7R0.6 CC(C)OC[C@@H](C)F 20a173ffcc76fe6afc30e0651bd85f9b [0,0,1,0,0,0|2,0,1]=4 232 B7R0.6 CC(C)OC[C@H](C)F 68e099b1d0df355662b96af0ef440aac [0,0,1,0,0,0|2,0,1]=4 233 B7R0.6 CC(C)OC[N+](=O)[O-] a09a83c915051312c8a631b9d400a750 [0,0,1,0,0,0|3,0,0]=4 234 B7R0.6 CC(F)COC(C)C 0baa8e540b95c92b06f0417877dbd740 [0,0,1,0,0,0|2,0,1]=4 235 B7R0.6 CC(O)CNC(C)C 67ac451099c111ca9b4a88e10960d432 [0,0,1,0,0,0|1,0,2]=4 236 B7R0.6 CC(S)COC(C)C 57c18a958d625f63860f9eb7db36a7e5 [0,0,1,0,0,0|1,1,1]=4 237 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [1,0,1,0,0,0|1,0,1]=4 238 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [1,0,1,0,0,0|2,0,0]=4 239 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [1,0,1,0,0,0|1,0,0]=3 240 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [1,0,1,0,0,0|2,0,0]=4 241 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [1,0,1,0,0,0|1,0,1]=4 242 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [1,0,1,0,0,0|2,0,0]=4 243 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,0,1,0,0,0|1,0,1]=4 244 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [1,0,1,0,0,0|1,0,0]=3 245 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [1,0,1,0,0,0|2,0,0]=4 246 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [1,0,1,0,0,0|1,0,1]=4 247 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [1,0,1,0,0,0|1,1,0]=4 248 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [1,0,1,0,0,0|1,0,1]=4 249 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [1,0,1,0,0,0|1,0,1]=4 250 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [1,0,1,0,0,0|1,0,1]=4 251 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [1,0,1,0,0,0|1,0,1]=4 252 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [1,0,1,0,0,0|1,0,1]=4 253 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [1,0,1,0,0,0|1,0,1]=4 254 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [1,0,1,0,0,0|1,0,0]=3 255 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [1,0,1,0,0,0|2,0,0]=4 256 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [1,0,1,0,0,0|1,0,1]=4 257 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [1,0,1,0,0,0|2,0,0]=4 258 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [1,0,1,0,0,0|1,0,0]=3 259 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [1,0,1,0,0,0|2,0,0]=4 260 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [1,0,1,0,0,0|1,0,1]=4 261 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [1,0,1,0,0,0|2,0,0]=4 262 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [1,0,1,0,0,0|2,0,0]=4 263 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [1,0,1,0,0,0|2,0,0]=4 264 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,0,1,0,0,0|2,0,0]=4 265 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,0,1,0,0,0|2,0,0]=4 266 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [1,0,1,0,0,0|1,0,1]=4 267 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,0,1,0,0,0|2,0,0]=4 268 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,0,1,0,0,0|2,0,0]=4 269 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,0,1,0,0,0|2,0,0]=4 270 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,0,1,0,0,0|2,0,0]=4 271 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,0,1,0,0,0|2,0,0]=4 272 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,0,1,0,0,0|2,0,0]=4 273 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,0,1,0,0,0|2,0,0]=4 274 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,0,1,0,0,0|2,0,0]=4 275 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [1,0,1,0,0,0|1,0,0]=3 276 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [1,0,1,0,0,0|1,0,0]=3 277 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [1,0,1,0,0,0|2,0,0]=4 278 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,0,1,0,0,0|1,0,0]=3 279 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [1,0,1,0,0,0|1,0,1]=4 280 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,0,1,0,0,0|1,0,1]=4 281 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,0,1,0,0,0|1,0,0]=3 282 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,0,1,0,0,0|2,0,0]=4 283 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,0,1,0,0,0|2,0,0]=4 284 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [1,0,1,0,0,0|1,0,1]=4 285 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,1,0,0,0|1,0,0]=3 286 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,0,1,0,0,0|2,0,0]=4 287 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,0,1,0,0,0|2,0,0]=4 288 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,0,1,0,0,0|1,0,1]=4 289 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [1,0,1,0,0,0|2,0,0]=4 290 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [1,0,1,0,0,0|2,0,0]=4 291 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [1,0,1,0,0,0|2,0,0]=4 292 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [1,0,1,0,0,0|2,0,0]=4 293 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,0,1,0,0,0|1,0,1]=4 294 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,0,1,0,0,0|1,0,1]=4 295 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,0,1,0,0,0|2,0,0]=4 296 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,0,1,0,0,0|2,0,0]=4 297 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,0,1,0,0,0|2,0,0]=4 298 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,0,1,0,0,0|2,0,0]=4 299 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,0,1,0,0,0|1,0,1]=4 300 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,0,1,0,0,0|1,0,1]=4 301 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,0,1,0,0,0|1,0,0]=3 302 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,0,1,0,0,0|1,0,0]=3 303 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [1,0,1,0,0,0|2,0,0]=4 304 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [1,0,1,0,0,0|2,0,0]=4 305 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,0,1,0,0,0|1,0,0]=3 306 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [1,0,1,0,0,0|2,0,0]=4 307 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,0,1,0,0,0|1,0,0]=3 308 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [1,0,1,0,0,0|1,0,1]=4 309 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,0,1,0,0,0|1,0,0]=3 310 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [1,0,1,0,0,0|1,0,1]=4 311 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [1,0,1,0,0,0|2,0,0]=4 312 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [1,0,1,0,0,0|2,0,0]=4 313 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [1,0,1,0,0,0|2,0,0]=4 314 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [1,0,1,0,0,0|2,0,0]=4 315 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,0,1,0,0,0|1,0,0]=3 316 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [1,0,1,0,0,0|2,0,0]=4 317 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [1,0,1,0,0,0|2,0,0]=4 318 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [1,0,1,0,0,0|2,0,0]=4 319 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,0,1,0,0,0|2,0,0]=4 320 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [1,0,1,0,0,0|2,0,0]=4 321 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [1,0,1,0,0,0|2,0,0]=4 322 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [1,0,1,0,0,0|2,0,0]=4 323 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [1,0,1,0,0,0|2,0,0]=4 324 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [1,0,1,0,0,0|2,0,0]=4 325 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [1,0,1,0,0,0|2,0,0]=4 326 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [1,0,1,0,0,0|2,0,0]=4 327 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [1,0,1,0,0,0|2,0,0]=4 328 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [1,0,1,0,0,0|2,0,0]=4 329 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [1,0,1,0,0,0|2,0,0]=4 330 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [1,0,1,0,0,0|2,0,0]=4 331 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [1,0,1,0,0,0|2,0,0]=4 332 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [1,0,1,0,0,0|2,0,0]=4 333 B8R0.1 C#CCC(=O)NCCC 02e18d00f6cac127c3ba925ff7cc6fd1 [0,1,1,0,0,0|1,0,1]=4 334 B8R0.1 C#CCC(C)OCC=O 6f35cb4bf7bb16a3eee8311ce03cd4d2 [0,1,1,0,0,0|1,0,1]=4 335 B8R0.1 C#CCN(C)CCC=O abee002607871288bd00a9ef0fa249c8 [0,1,1,0,0,0|1,0,1]=4 336 B8R0.1 C/C=C/C(=O)NCCC 3112d70c0159afb044aaeb01584dde68 [0,1,1,0,0,0|1,0,1]=4 337 B8R0.1 C/C=C/C(C)OCC=O 3c462d15fec3dcb51b9371f8065dab9e [0,1,1,0,0,0|1,0,1]=4 338 B8R0.1 C=CCC(=O)NCCC 0464f3619ee0131de1206f24520111fa [0,1,1,0,0,0|1,0,1]=4 339 B8R0.1 C=CCC(C)OCC=O 805d006448d647b16a227c84124f8a54 [0,1,1,0,0,0|1,0,1]=4 340 B8R0.1 C=CCCC(C)OCC 12ed926926e8651e3a80017bb67d145a [0,1,1,0,0,0|1,0,0]=3 341 B8R0.1 C=CCCC(C)OCF 2fe0bf3483d518898b11cb64496852dd [0,1,1,0,0,0|2,0,0]=4 342 B8R0.1 C=CCCN(C)CCC dab57175e9273de33949da20b7fb71b3 [0,1,1,0,0,0|2,0,0]=4 343 B8R0.1 C=CCCN(C)CCF 835eed401a0b6b3a5be304461679a35c [0,1,1,0,0,0|2,0,0]=4 344 B8R0.1 C=CCCN(C)CCO a8587c6e38b527df9a13ce4861c303de [0,1,1,0,0,0|2,0,0]=4 345 B8R0.1 C=CCCN(C)CCS f218cadc93d673ae19aa3c1af9e0544c [0,1,1,0,0,0|2,0,0]=4 346 B8R0.1 C=CCCN(C)COC 3f390760d606763d10d3e6dd76b889ee [0,1,1,0,0,0|2,0,0]=4 347 B8R0.1 C=CCCN(C)CSC bcba3911193dd2dd65f054dc7e7e5d60 [0,1,1,0,0,0|2,0,0]=4 348 B8R0.1 C=CCC[C@@H](C)OCC 0ab76f3ece4d8150e9e76a16d7bb942b [0,1,1,0,0,0|1,0,0]=3 349 B8R0.1 C=CCC[C@@H](C)OCF 56aa63106d3c71dcf2e80e084457afa8 [0,1,1,0,0,0|2,0,0]=4 350 B8R0.1 C=CCN(C)CCC=O 342d88422510b840605a3009ff48b522 [0,1,1,0,0,0|1,0,1]=4 351 B8R0.1 C=CCNC(C)CCC 36451e2cb7be8df5f7670577a1f566ee [0,1,1,0,0,0|2,0,0]=4 352 B8R0.1 C=CCNC(C)CCO 20392bc249adb293d88033c472c5ba70 [0,1,1,0,0,0|2,0,0]=4 353 B8R0.1 C=CCNC(C)COC 8be0a1a3efe06201dfdebdb472d4b60d [0,1,1,0,0,0|2,0,0]=4 354 B8R0.1 C=CCN[C@@H](C)CCC d5fcdf262c72aeb1e02dde87ad10c66b [0,1,1,0,0,0|2,0,0]=4 355 B8R0.1 C=CCN[C@@H](C)CCO 1b9f49ff05f45441652baa86b54c33fb [0,1,1,0,0,0|2,0,0]=4 356 B8R0.1 C=CCN[C@@H](C)COC aab98976808482653489089b6e41eaad [0,1,1,0,0,0|2,0,0]=4 357 B8R0.1 C=CCN[C@H](C)CCO a742a5ac3ea9b1a9e5ba170dc2102a99 [0,1,1,0,0,0|2,0,0]=4 358 B8R0.1 C=CCN[C@H](C)COC da94bb1b36f0e4246472ca31a9988767 [0,1,1,0,0,0|2,0,0]=4 359 B8R0.1 C=CCOC(C)CCC fbdc613bc45f6b8caccc8ec8a52f0c2d [0,1,1,0,0,0|2,0,0]=4 360 B8R0.1 C=CCOC(C)COC 5cdae24e3deb217752566671cd1e864c [0,1,1,0,0,0|2,0,0]=4 361 B8R0.1 C=CCOC(C)CSC 66d2cdb6f488bc931466771d9a4d5e16 [0,1,1,0,0,0|2,0,0]=4 362 B8R0.1 C=CCO[C@@H](C)CCC 709aabbb80656eae64c78055179b3126 [0,1,1,0,0,0|2,0,0]=4 363 B8R0.1 C=CCO[C@@H](C)COC ddb97d53499bbb5a741daaae71316e95 [0,1,1,0,0,0|2,0,0]=4 364 B8R0.1 C=CCO[C@H](C)CCC 0d000bc310de5de3a03499af588f23c5 [0,1,1,0,0,0|2,0,0]=4 365 B8R0.1 C=CCO[C@H](C)COC 517e372db2b6b0cbc809bc89ea1bfb62 [0,1,1,0,0,0|2,0,0]=4 366 B8R0.1 C=CC[C@@H](C)OCC=O a0e388fab32588efe0b0ae569bdc0661 [0,1,1,0,0,0|1,0,1]=4 367 B8R0.1 C=CC[C@H](C)OCC=O b16f0951e117256fa250913579de0fe1 [0,1,1,0,0,0|1,0,1]=4 368 B8R0.1 CC#CC(=O)NCCC f3929637650271102a5b6c505641e7e8 [0,1,1,0,0,0|1,0,1]=4 369 B8R0.1 CC#CC(C)OCC=O 0936b2d98ed4cec8bffedc9581b11964 [0,1,1,0,0,0|1,0,1]=4 370 B8R0.1 CC(CC#N)NCC=O 876ecee87e936959217fd59643b77cf7 [0,1,1,0,0,0|1,0,1]=4 371 B8R0.1 CC(CC#N)OCC=O 510ddb57839fab432176d9d3dc4d1852 [0,1,1,0,0,0|1,0,1]=4 372 B8R0.1 CC(CCO)CNC=O 494f744824d462f62341eadad29d83d3 [0,1,1,0,0,0|1,0,0]=3 373 B8R0.1 CC(CCO)NCC=O be4773d58a64f79dc63b248791979cf7 [0,1,1,0,0,0|1,0,0]=3 374 B8R0.1 CC=CC(C)OCC=O afa81202fb8927469e80733dc589551c [0,1,1,0,0,0|1,0,1]=4 375 B8R0.1 CCCC(=O)NCCBr e3424ddfe0e4582b4445faadedeca9f3 [0,1,1,0,0,0|2,0,0]=4 376 B8R0.1 CCCC(=O)NCCF abd86ad1a4854f306fa4ec91802cd24f [0,1,1,0,0,0|2,0,0]=4 377 B8R0.1 CCCC(=O)NCCI effb943f4ec1dba1ee2232662d0cb367 [0,1,1,0,0,0|2,0,0]=4 378 B8R0.1 CCCC(=O)NCCO d2bc78e5bd2f73aa8619f010857f1926 [0,1,1,0,0,0|2,0,0]=4 379 B8R0.1 CCCC(=O)NCCS c2ef67720d0b2ef54134f82538ee13fd [0,1,1,0,0,0|2,0,0]=4 380 B8R0.1 CCCC(C)NCC=O 9f1868c3f1326c5a8444197e6058548a [0,1,1,0,0,0|1,0,0]=3 381 B8R0.1 CCCC(C)OCC=O bf24684220a55c36790abbdedb1b3799 [0,1,1,0,0,0|1,0,0]=3 382 B8R0.1 CCCC(O)CNC=O 3e50ed85c9c916875e196c40b2fc51de [0,1,1,0,0,0|2,0,0]=4 383 B8R0.1 CCCCC(=O)NC#N 2fe7c425eb1622681eebf36d3ea640ff [0,1,1,0,0,0|1,0,1]=4 384 B8R0.1 CCCCC(C)NCC 4583005e506d2176e59cdaa84e6525c6 [0,1,1,0,0,0|1,0,1]=4 385 B8R0.1 CCCCC(C)OCC e43df0ae121ab44cb6194c6546aa1e41 [0,1,1,0,0,0|1,0,1]=4 386 B8R0.1 CCCCN(C)CCC 598958f1bf27154d8760346aca3fc1c7 [0,1,1,0,0,0|2,0,0]=4 387 B8R0.1 CCCCN(C)CCF dea221ed9395f7cb1e71d7be0afd021b [0,1,1,0,0,0|2,0,0]=4 388 B8R0.1 CCCCN(C)CCO d3a1d2ca604b1d792baba16d692e347d [0,1,1,0,0,0|2,0,0]=4 389 B8R0.1 CCCCN(C)CCS 3e265071a664b45e2ee59abc544de5e5 [0,1,1,0,0,0|2,0,0]=4 390 B8R0.1 CCCCN(C)COC 82c59ffeb372941e62ade16842f09aa1 [0,1,1,0,0,0|2,0,0]=4 391 B8R0.1 CCCCN(C)CSC 5fbed4fdfac4006dd6d43bf0d13197ea [0,1,1,0,0,0|2,0,0]=4 392 B8R0.1 CCCC[C@@H](C)NCC c18bfbe49afa779f9ec8f1e0c1e03df7 [0,1,1,0,0,0|1,0,1]=4 393 B8R0.1 CCCC[C@@H](C)OCC d38acbfc54d47c4bbd565f1b434e5e73 [0,1,1,0,0,0|1,0,1]=4 394 B8R0.1 CCCC[C@H](C)OCC f8165a8926a10ebcbdb8675cf31f0cb1 [0,1,1,0,0,0|1,0,1]=4 395 B8R0.1 CCCN(C)CCC=O cd4badc64192ce4c537889fd9678d594 [0,1,1,0,0,0|1,0,0]=3 396 B8R0.1 CCCNC(=O)CC#N a35df4e334c2327f92e0bafe31098739 [0,1,1,0,0,0|1,0,1]=4 397 B8R0.1 CCCNC(=O)CC=O c387c4bc3ea86b21200effc59fe151db [0,1,1,0,0,0|1,0,1]=4 398 B8R0.1 CCCNC(=O)CCC 3a4ef615081398a2acfdf5d3349655c4 [0,1,1,0,0,0|1,0,0]=3 399 B8R0.1 CCCNC(=O)CCF 80cac466548133e31f593852e3638107 [0,1,1,0,0,0|1,0,0]=3 400 B8R0.1 CCCNC(=O)CCO 1e17d6cf040450a0042d7883a84b4d20 [0,1,1,0,0,0|1,0,0]=3 401 B8R0.1 CCCNC(=O)CCS 5ca47d6ccf33cee73df146cfd5794783 [0,1,1,0,0,0|1,0,0]=3 402 B8R0.1 CCCNC(=O)COC d992f0c3466a56e61d0974e6b6e8669f [0,1,1,0,0,0|1,0,0]=3 403 B8R0.1 CCCNC(=O)CON 9840c2139f1e78498e25b8fce4d164d2 [0,1,1,0,0,0|2,0,0]=4 404 B8R0.1 CCCNC(=O)CSC 6ae58cb75ea789964eebc3d4df556317 [0,1,1,0,0,0|1,0,0]=3 405 B8R0.1 CCCOC(=S)CCC 553859e26557f67ca84075cb05814f3e [0,1,1,0,0,0|1,1,0]=4 406 B8R0.1 CCC[C@@H](C)OCC=O 81402cca9611ddb40901d5fa2d62e285 [0,1,1,0,0,0|1,0,0]=3 407 B8R0.1 CCC[C@H](C)NCC=O 344319cad1a5cb6c553f571432cf347f [0,1,1,0,0,0|1,0,0]=3 408 B8R0.1 CCC[C@H](C)OCC=O cd3513e181af862dd8891792f8677966 [0,1,1,0,0,0|1,0,0]=3 409 B8R0.1 CCNC(=O)CNCF 00b80b6827b81d8895e54234ac75d43c [0,1,1,0,0,0|2,0,0]=4 410 B8R0.1 CCNC(=O)CNCO ce3cba50f7ed87e7409428e42c23fd71 [0,1,1,0,0,0|2,0,0]=4 411 B8R0.1 CCNC(=O)COCC c84e7c49da6c2baea65be933f5b80bea [0,1,1,0,0,0|1,0,0]=3 412 B8R0.1 CCNC(=O)COCF 07accf9dfadaaccc536f5c34a66ac1b1 [0,1,1,0,0,0|2,0,0]=4 413 B8R0.1 CCNC(C)CCCO 4cb159cc51e237a2b68098cab9f966c9 [0,1,1,0,0,0|0,0,2]=4 414 B8R0.1 CCNCC(=O)NCC 85e3c6c463358c2ceb6c3f3c07ea189c [0,1,1,0,0,0|1,0,0]=3 415 B8R0.1 CCNCC(=O)OCC 13e479e123264c7bc2cd9986b04b4c24 [0,1,1,0,0,0|1,0,0]=3 416 B8R0.1 CCN[C@H](C)CCCO b5ffb788d1af92f75fbf496c96240314 [0,1,1,0,0,0|0,0,2]=4 417 B8R0.1 CCOC(=O)CNCF 7d02e761e530b1a2e8b4937d75024162 [0,1,1,0,0,0|2,0,0]=4 418 B8R0.1 CCOC(=O)CNCO be258da79336855a99e7f18427102b1b [0,1,1,0,0,0|2,0,0]=4 419 B8R0.1 CCOC(=O)COCF e0f65d48f1d596b5b0dcd0c878bc5d05 [0,1,1,0,0,0|2,0,0]=4 420 B8R0.1 CCOC(C)CCOC 196511f67d8eda011d6f33c8b16809a7 [0,1,1,0,0,0|2,0,0]=4 421 B8R0.1 CCOC(C)CCSC 324d3536b5929c293af9b175b80533e8 [0,1,1,0,0,0|2,0,0]=4 422 B8R0.1 CCOC(C)CNC=O 6ac843f8d05ef25abe339acf9a7e85be [0,1,1,0,0,0|1,0,0]=3 423 B8R0.1 CCOCC(=O)OCC a71429e2784f27b770f80be9d4ceb826 [0,1,1,0,0,0|1,0,0]=3 424 B8R0.1 CN(CC#N)CCC=O 82910c4293b6e33f66d0d331bb763af3 [0,1,1,0,0,0|1,0,1]=4 425 B8R0.1 CN(CCF)CCC=O 8931c69c0220d8a040f4b6d70039493e [0,1,1,0,0,0|1,0,0]=3 426 B8R0.1 CN(CCO)CCC=O 69df82d3bd6c841b00970a1b6a8a928f [0,1,1,0,0,0|1,0,0]=3 427 B8R0.1 COCC(=O)NCCBr e1d7efa2beb897f6fe8c723e5fef1d8c [0,1,1,0,0,0|2,0,0]=4 428 B8R0.1 COCC(=O)NCCF 5b27f9df05a07da8459d8e50096ac5ef [0,1,1,0,0,0|2,0,0]=4 429 B8R0.1 COCC(=O)NCCI 555339bd86b0ca69dc4cdec31caa1894 [0,1,1,0,0,0|2,0,0]=4 430 B8R0.1 COCC(=O)NCCO 5ced7d6cbd9eed1c30b901e6485d694c [0,1,1,0,0,0|2,0,0]=4 431 B8R0.1 COCC(=O)NCCS 730709bdb2536a5f7519c33efb71b705 [0,1,1,0,0,0|2,0,0]=4 432 B8R0.1 COCC(C)NCC=O 4baf3fe6a6d274e7ea1aec1466238275 [0,1,1,0,0,0|1,0,0]=3 433 B8R0.1 COCC(C)OCC=O a93d71aa3da594c97159b56ba29ff8f5 [0,1,1,0,0,0|1,0,0]=3 434 B8R0.1 COCC(O)CNC=O dcf0e3098a4084e4af6a40d5ee812c91 [0,1,1,0,0,0|2,0,0]=4 435 B8R0.1 COC[C@@H](C)NCC=O 4fb921a050a5f68cf2239a934ae891a7 [0,1,1,0,0,0|1,0,0]=3 436 B8R0.1 COC[C@@H](C)OCC=O e4852e42aa1f253c2a0a1f8cacf1148b [0,1,1,0,0,0|1,0,0]=3 437 B8R0.1 COC[C@@H](O)CNC=O 17b12184b93d1444bd3c1cfdf3acf27b [0,1,1,0,0,0|2,0,0]=4 438 B8R0.1 COC[C@H](C)NCC=O bc29ca8d06d84bc5177cf78e24d1b1b6 [0,1,1,0,0,0|1,0,0]=3 439 B8R0.1 COC[C@H](C)OCC=O e3af86d71c642a75e0e78450bc9ecd56 [0,1,1,0,0,0|1,0,0]=3 440 B8R0.1 CSCC(=O)NCCBr 98705a0f39eb077061bcbd29b0672e6a [0,1,1,0,0,0|2,0,0]=4 441 B8R0.1 CSCC(=O)NCCF dfda28d66fa36cfb5ce50a1350224197 [0,1,1,0,0,0|2,0,0]=4 442 B8R0.1 CSCC(=O)NCCI 7bfc8d164efaef654c34edd5d1d07835 [0,1,1,0,0,0|2,0,0]=4 443 B8R0.1 CSCC(=O)NCCO 8fe8e72aaf0bb9f5644b18e3c790996d [0,1,1,0,0,0|2,0,0]=4 444 B8R0.1 CSCC(=O)NCCS 0c7243c53eb1aa5322c2775032ee2b33 [0,1,1,0,0,0|2,0,0]=4 445 B8R0.1 CSCC(C)OCC=O d521716379b16767717aab19be915c57 [0,1,1,0,0,0|1,0,0]=3 446 B8R0.1 C[C@@H](CC#N)OCC=O fbb86d03e87cb409bf21e60c3df05582 [0,1,1,0,0,0|1,0,1]=4 447 B8R0.1 C[C@@H](CCO)NCC=O b740e215ba752232b945e9f7d9202d2b [0,1,1,0,0,0|1,0,0]=3 448 B8R0.1 C[C@H](CC#N)OCC=O 5dee6ecc90844b5e78d82d86547d8772 [0,1,1,0,0,0|1,0,1]=4 449 B8R0.1 C[C@H](CCO)NCC=O 8e0d0c9fecd308d7ccaf47b7123c3880 [0,1,1,0,0,0|1,0,0]=3 450 B8R0.1 O=C(CCF)NCCBr 4e6a83a04fff0ae2002d06f5532a71cf [0,1,1,0,0,0|2,0,0]=4 451 B8R0.1 O=C(CCF)NCCF 3ee47b2b4a969933bf6a2b7769d886d8 [0,1,1,0,0,0|2,0,0]=4 452 B8R0.1 O=C(CCF)NCCI 0514d32be9a459d35ff2d3dd8e59c8c1 [0,1,1,0,0,0|2,0,0]=4 453 B8R0.1 O=C(CCF)NCCO 8a006b90c0f677be977fd587da748001 [0,1,1,0,0,0|2,0,0]=4 454 B8R0.1 O=C(CCF)NCCS cc499bcf14cc4ef20c4a540fd4249535 [0,1,1,0,0,0|2,0,0]=4 455 B8R0.1 O=C(CCO)NCCBr 0598e39f87524871b714a958e56557af [0,1,1,0,0,0|2,0,0]=4 456 B8R0.1 O=C(CCO)NCCF fc3c58338add0c048e7e192017336dc4 [0,1,1,0,0,0|2,0,0]=4 457 B8R0.1 O=C(CCO)NCCI f4b9eac1b1d1ab1205b4f68c01e683b0 [0,1,1,0,0,0|2,0,0]=4 458 B8R0.1 O=C(CCO)NCCO baa85bba8951a71c692dae57f4f0b055 [0,1,1,0,0,0|2,0,0]=4 459 B8R0.1 O=C(CCO)NCCS 67e704856b61f7f4ce061f14d041dc6c [0,1,1,0,0,0|2,0,0]=4 460 B8R0.1 O=C(CCS)NCCBr 0eb47b0aecf2287af30d9b3e94e8bc58 [0,1,1,0,0,0|2,0,0]=4 461 B8R0.1 O=C(CCS)NCCF b7e186cad638003cfed1aa574b20f812 [0,1,1,0,0,0|2,0,0]=4 462 B8R0.1 O=C(CCS)NCCI 56f9d8039c6ce5f07f13c307d4e588bf [0,1,1,0,0,0|2,0,0]=4 463 B8R0.1 O=C(CCS)NCCO 41c5fbd04fe40888bf540f13522d8b85 [0,1,1,0,0,0|2,0,0]=4 464 B8R0.1 O=C(CCS)NCCS a425fac0fa57c463ae17426b0d0c8bcc [0,1,1,0,0,0|2,0,0]=4 465 B8R0.3 C=CCN(C)C(C)CC 0f1e60581fe569ba5c9e9daeaa046c78 [0,1,1,0,0,0|2,0,0]=4 466 B8R0.3 CC(CO)N(C)CC=O 0f8d2e48b5ce1eda5ef71ae8a2fbea8d [0,1,1,0,0,0|2,0,0]=4 467 B8R0.3 CCC(=O)N(C)CCF 318a2530a556961418490c44b6c90fdd [0,1,1,0,0,0|2,0,0]=4 468 B8R0.3 CCC(=O)N(C)CCO e0dd9f4a6beab4473ee465efb09f2b8e [0,1,1,0,0,0|2,0,0]=4 469 B8R0.3 CCC(C)C(C)NC=O 4790f87f99d2631c4d7242b87ea52752 [0,1,1,0,0,0|1,0,0]=3 470 B8R0.3 CCC(C)N(C)CC=O 842637d179d388d97d4751c027c4a536 [0,1,1,0,0,0|1,0,0]=3 471 B8R0.3 CCCC(C)N(C)CC 6499897a93030fa97deb05cc92a0b8e3 [0,1,1,0,0,0|2,0,0]=4 472 B8R0.3 CCCN(C)C(=O)CC ad1ab8a0f5c07e6ab73ee22aeb9c71a9 [0,1,1,0,0,0|1,0,0]=3 473 B8R0.3 CCCN(C)C(=O)CF 080c0d4ce746cadf5e3f0d9a56835299 [0,1,1,0,0,0|2,0,0]=4 474 B8R0.3 CCCN(C)C(=O)CO daa5d896fade5a1be51c39257fa3d5b8 [0,1,1,0,0,0|2,0,0]=4 475 B8R0.3 CCCN(C)C(=O)CS bcfb0bbfdb716f32aeb6ae13debe4701 [0,1,1,0,0,0|2,0,0]=4 476 B8R0.3 CCN(C)C(=O)CC=O b54fcccc9e3ee76ebae8e137ce96a008 [0,1,1,0,0,0|1,0,1]=4 477 B8R0.3 CCNC(C)C(=O)NC 54efcfcba9f244b93d368cc4afd291fa [0,1,1,0,0,0|2,0,0]=4 478 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,1,1,0,0,0|2,0,0]=4 479 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,1,1,0,0,0|2,0,0]=4 480 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,1,1,0,0,0|2,0,0]=4 481 B8R0.3 C[C@@H](CO)N(C)CC=O 7ec30cd81e597e1bd2a1af4676ffad1f [0,1,1,0,0,0|2,0,0]=4 482 B8R0.3 C[C@H](CO)N(C)CC=O 549d4707c245d0d43b050d1c44958445 [0,1,1,0,0,0|2,0,0]=4 483 B8R0.6 C#CC(=O)NCCCC 7b05ebf03d7d7168df7348c28a985d62 [0,1,1,0,0,0|0,0,2]=4 484 B8R0.6 C#CC(C)NCCC=O b9c5b6ba8cfb4703ce184973d7d00c34 [0,1,1,0,0,0|0,0,2]=4 485 B8R0.6 C#CC(C)OCCC=O b4f26efb44146120dac4c2f499518b75 [0,1,1,0,0,0|0,0,2]=4 486 B8R0.6 C#CCCNC(=O)CC 675df9b37ab5c9ee6d5c9db4e0b3cee9 [0,1,1,0,0,0|0,0,2]=4 487 B8R0.6 C#CCCNC(C)CC 20dbc89ebb1d4b44652853687cb2fa8a [0,1,1,0,0,0|1,0,1]=4 488 B8R0.6 C#CCCN[C@@H](C)CC 4a7010201ccb7b47856e7a8857c46bdd [0,1,1,0,0,0|1,0,1]=4 489 B8R0.6 C#CCCN[C@H](C)CC 71b14d97b24dcddba8a32db992a64beb [0,1,1,0,0,0|1,0,1]=4 490 B8R0.6 C#CCCOC(C)CC 8ddb2dba02e462fe364e25beff6c25f3 [0,1,1,0,0,0|1,0,1]=4 491 B8R0.6 C#CCCO[C@@H](C)CC 25d0971b7cad09435ba2dc016863f2b8 [0,1,1,0,0,0|1,0,1]=4 492 B8R0.6 C#CCCO[C@H](C)CC 8302df280c095a2bf372ea12e667649a [0,1,1,0,0,0|1,0,1]=4 493 B8R0.6 C#CCNCC(=O)CC c306a58106d871d66f9632f16da5a734 [0,1,1,0,0,0|0,0,2]=4 494 B8R0.6 C#CCNCC(C)CC 66f9a26a1fa940e1e7954b635126f99f [0,1,1,0,0,0|1,0,1]=4 495 B8R0.6 C#CCNC[C@@H](C)CC 231903fbdec89d13be793810163b01df [0,1,1,0,0,0|1,0,1]=4 496 B8R0.6 C#CCNC[C@H](C)CC 03f9c9a204dce084699fa0c093d37da8 [0,1,1,0,0,0|1,0,1]=4 497 B8R0.6 C#CCOCC(=O)CC 432ed08c7ed6528d6b4d9248e66c13d7 [0,1,1,0,0,0|0,0,2]=4 498 B8R0.6 C#CCOCC(C)CC dac3b2d5a3360d648bbc31fcabb053df [0,1,1,0,0,0|1,0,1]=4 499 B8R0.6 C#CCOC[C@@H](C)CC bf52f579dfc2bdace27584faec908367 [0,1,1,0,0,0|1,0,1]=4 500 B8R0.6 C#CCOC[C@H](C)CC c6939a3d945a70cc9f8d6a28d32fc60a [0,1,1,0,0,0|1,0,1]=4 501 B8R0.6 C#C[C@@H](C)NCCC=O b812c862625c4e6478a179cd48b74fa0 [0,1,1,0,0,0|0,0,2]=4 502 B8R0.6 C#C[C@@H](C)OCCC=O 1b5d14ca063cbe7e9022b4c05ac12aee [0,1,1,0,0,0|0,0,2]=4 503 B8R0.6 C#C[C@H](C)NCCC=O 60f4e36e697fd4ebabd9745a90d09b82 [0,1,1,0,0,0|0,0,2]=4 504 B8R0.6 C#C[C@H](C)OCCC=O 69494d0b919c0bc0fbbc271ade219f3c [0,1,1,0,0,0|0,0,2]=4 505 B8R0.6 C/C=C/CNC(C)CC 2f535abc28ee7f3cab8c7972351408f4 [0,1,1,0,0,0|1,0,1]=4 506 B8R0.6 C/C=C/CN[C@@H](C)CC b58e2f858cb751b98ede7a901acea099 [0,1,1,0,0,0|1,0,1]=4 507 B8R0.6 C/C=C/CN[C@H](C)CC 7387329309fa520abe5aa0a87b2bf959 [0,1,1,0,0,0|1,0,1]=4 508 B8R0.6 C/C=C/COC(C)CC 2c3616d32d17e7eb4e788e5738c8dc04 [0,1,1,0,0,0|1,0,1]=4 509 B8R0.6 C/C=C/CO[C@@H](C)CC 522e3c2ba2b761839a7a2dca4352293b [0,1,1,0,0,0|1,0,1]=4 510 B8R0.6 C/C=C/CO[C@H](C)CC 6e608186b48520ff54a704c9b9c244cd [0,1,1,0,0,0|1,0,1]=4 511 B8R0.6 C/C=C\CNC(C)CC 69ee21beee787232cb51df62e6b214aa [0,1,1,0,0,0|1,0,1]=4 512 B8R0.6 C/C=C\CN[C@@H](C)CC fc15fdf835e9d3828f552033e84b13ba [0,1,1,0,0,0|1,0,1]=4 513 B8R0.6 C/C=C\CN[C@H](C)CC bee9b00c3898d54386b9382944bdd17a [0,1,1,0,0,0|1,0,1]=4 514 B8R0.6 C/C=C\COC(C)CC b9929d282696082d2a43b3b1157a9118 [0,1,1,0,0,0|1,0,1]=4 515 B8R0.6 C/C=C\CO[C@@H](C)CC c2f4b87d51ab2c28a552b7c9d146a3ff [0,1,1,0,0,0|1,0,1]=4 516 B8R0.6 C/C=C\CO[C@H](C)CC 3671e83702b5414e0370b18b7de3dfff [0,1,1,0,0,0|1,0,1]=4 517 B8R0.6 C=C(CC)CNCCBr 2997f31300e075e12280de78a538d6f2 [0,1,1,0,0,0|2,0,0]=4 518 B8R0.6 C=C(CC)CNCCC 13f11be9634d172790672a2fd9a9840c [0,1,1,0,0,0|1,0,0]=3 519 B8R0.6 C=C(CC)CNCCF 85aeaea14bf77498afd0be50514993fb [0,1,1,0,0,0|2,0,0]=4 520 B8R0.6 C=C(CC)CNCCI 9c0b35da1e0c58b009e99741b9bb42bf [0,1,1,0,0,0|2,0,0]=4 521 B8R0.6 C=C(CC)CNCCO 223a30784a1107a501d92d7e0122084b [0,1,1,0,0,0|2,0,0]=4 522 B8R0.6 C=C(CC)CNCCS 1b35fc01c4a35914bb8ff69eeb12966e [0,1,1,0,0,0|2,0,0]=4 523 B8R0.6 C=C(CC)COCCC 9a03753bc1b5bbc7ba706f1688ccd4c0 [0,1,1,0,0,0|1,0,0]=3 524 B8R0.6 C=C(CC)COCCF e29bcc08014545601ec41df77fd3afb1 [0,1,1,0,0,0|2,0,0]=4 525 B8R0.6 C=C(CC)COCCS 1954896189fc03c4d7a15c9e17b08731 [0,1,1,0,0,0|2,0,0]=4 526 B8R0.6 C=C(CC)COCOC 8620d2b3e026d934a9f25c9b8e5eed2b [0,1,1,0,0,0|2,0,0]=4 527 B8R0.6 C=C(CNCCC)OC 087b8e9db7c5cf69f544a95d2e04b5df [0,1,1,0,0,0|2,0,0]=4 528 B8R0.6 C=C(CO)CNCCC 1a3d72efe9d3ce84e285b2c8b91ed59f [0,1,1,0,0,0|2,0,0]=4 529 B8R0.6 C=C(COCCC)OC 35a576a479e84b27dbf4c71b4925086f [0,1,1,0,0,0|2,0,0]=4 530 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,1,1,0,0,0|0,0,2]=4 531 B8R0.6 C=CC(C)COCC=O 6e7f92fb51e32c59e36957f0b0308468 [0,1,1,0,0,0|0,0,2]=4 532 B8R0.6 C=CC(C)NCCC=O 34ccac889a8fddd78b8149315d5fbb67 [0,1,1,0,0,0|0,0,2]=4 533 B8R0.6 C=CC(C)OCCC=O c2fb39e17e89251aad102f8067a79d7c [0,1,1,0,0,0|0,0,2]=4 534 B8R0.6 C=CCCCN(C)CC 1bec5e770716bf844a25a95ad899a7c4 [0,1,1,0,0,0|2,0,0]=4 535 B8R0.6 C=CCCNC(=O)CC ff184ef1399f6dc8c7e919b7f0c5c0dc [0,1,1,0,0,0|0,0,2]=4 536 B8R0.6 C=CCCNC(C)CC f885cbdaaa18710cec8775d0fc08c804 [0,1,1,0,0,0|1,0,0]=3 537 B8R0.6 C=CCCNC(C)CO 4c19367b66c3870cb1b9b059820dfae4 [0,1,1,0,0,0|2,0,0]=4 538 B8R0.6 C=CCCN[C@@H](C)CC 999e8371ea0e07c999dbfb955513b106 [0,1,1,0,0,0|1,0,0]=3 539 B8R0.6 C=CCCN[C@@H](C)CO bd75d5ba5552ec3b4468e50c48f577dc [0,1,1,0,0,0|2,0,0]=4 540 B8R0.6 C=CCCN[C@H](C)CC 07aa1c8af6a68bcbd328411f213e0d5f [0,1,1,0,0,0|1,0,0]=3 541 B8R0.6 C=CCCN[C@H](C)CO dcb6aa26546bb9950f8526419d01344b [0,1,1,0,0,0|2,0,0]=4 542 B8R0.6 C=CCCOC(C)CC b8bb0fe92dd0d23b9879350a5841a976 [0,1,1,0,0,0|1,0,0]=3 543 B8R0.6 C=CCCOC(C)CF 0e487925b38dfe7a8f30a61d464d191c [0,1,1,0,0,0|2,0,0]=4 544 B8R0.6 C=CCCOC(C)CS b8f1fc30072621f664eef040a9b38cb9 [0,1,1,0,0,0|2,0,0]=4 545 B8R0.6 C=CCCO[C@@H](C)CC 29dfa30bd98e5dbf9563047158a37aea [0,1,1,0,0,0|1,0,0]=3 546 B8R0.6 C=CCCO[C@H](C)CC 5cad605e23fae06ae0f8741c6fbdd602 [0,1,1,0,0,0|1,0,0]=3 547 B8R0.6 C=CCCO[C@H](C)CS 50de7baf66874e07c349214eaf94a3db [0,1,1,0,0,0|2,0,0]=4 548 B8R0.6 C=CCNCC(C)CC 494ce94604ac38dadc94644e86d6a10d [0,1,1,0,0,0|1,0,0]=3 549 B8R0.6 C=CCNCC(C)CO 0349751dd72119d1ec86991336485e44 [0,1,1,0,0,0|2,0,0]=4 550 B8R0.6 C=CCNCC(O)CC 5db360d29daafe062d6edb9c4c1b2a38 [0,1,1,0,0,0|2,0,0]=4 551 B8R0.6 C=CCNC[C@@H](C)CC 10564aa737f9984860d65735a5b1d4f7 [0,1,1,0,0,0|1,0,0]=3 552 B8R0.6 C=CCNC[C@@H](C)OC b7562211711e7dd3c0c532f66c1ea725 [0,1,1,0,0,0|2,0,0]=4 553 B8R0.6 C=CCNC[C@H](C)CO 83df800fa1fe19eaa9c32210c081717f [0,1,1,0,0,0|2,0,0]=4 554 B8R0.6 C=CCNC[C@H](C)OC f2ade53da8dc35e9501abf5457bf836b [0,1,1,0,0,0|2,0,0]=4 555 B8R0.6 C=CCNC[C@H](O)CC 8931fa143d036244108e7a41dc0ec5c3 [0,1,1,0,0,0|2,0,0]=4 556 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [0,1,1,0,0,0|0,0,2]=4 557 B8R0.6 C=CCOCC(C)CC 80dd01c33214aee04f213ff4b3d8b154 [0,1,1,0,0,0|1,0,0]=3 558 B8R0.6 C=CCOCC(C)OC 5e8d34ad1209ea0db8a9ab36af63874c [0,1,1,0,0,0|2,0,0]=4 559 B8R0.6 C=CCOC[C@@H](C)CC 33cb2ec72dfd50721c249724597568dd [0,1,1,0,0,0|1,0,0]=3 560 B8R0.6 C=CCOC[C@@H](C)OC 56af6ef64f40f572849a587c987a9fb6 [0,1,1,0,0,0|2,0,0]=4 561 B8R0.6 C=CCOC[C@H](C)CC ea37bcd01cf18ce9e17869382a85446c [0,1,1,0,0,0|1,0,0]=3 562 B8R0.6 C=CCOC[C@H](C)OC 19fb47c1068b524cb2a6d3cb74d2934d [0,1,1,0,0,0|2,0,0]=4 563 B8R0.6 C=C[C@H](C)OCCC=O d2528d5f8182afb1ad2ed844bb3b4d34 [0,1,1,0,0,0|0,0,2]=4 564 B8R0.6 CC#CCNC(=O)CC 6d9ddda364502c2ffe7bd0b913f40e69 [0,1,1,0,0,0|0,0,2]=4 565 B8R0.6 CC(C#N)CNCC=O 07dd87324302dc639b7e40a71a6d2b89 [0,1,1,0,0,0|1,0,1]=4 566 B8R0.6 CC(C#N)COCC=O bdc1cb68eac2034044d1af91bed9168f [0,1,1,0,0,0|1,0,1]=4 567 B8R0.6 CC(C#N)NCCC=O 17f5eafdd4ffc04728989125a0e2f64a [0,1,1,0,0,0|1,0,1]=4 568 B8R0.6 CC(C#N)OCCC=O 99235743f38a0ed59261f8b08a8ebe83 [0,1,1,0,0,0|1,0,1]=4 569 B8R0.6 CC(C=O)OCCC=O 33ed4daad58f2a66394ebc2ecb1ab8c7 [0,1,1,0,0,0|1,0,1]=4 570 B8R0.6 CC(CF)OCCC=O b17ff84b04efc05e93964ee25e1ae59e [0,1,1,0,0,0|1,0,0]=3 571 B8R0.6 CC(CO)CCNC=O 39cb296f33f08cf60badb1105cd0e264 [0,1,1,0,0,0|1,0,0]=3 572 B8R0.6 CC(CO)CNCC=O 18b721b702015f9166f9e0a533c4ee44 [0,1,1,0,0,0|1,0,0]=3 573 B8R0.6 CC(CO)NCCC=O 2a49eedaae162f27c224c004e49e642c [0,1,1,0,0,0|1,0,0]=3 574 B8R0.6 CC(CS)OCCC=O b15e712b3203e46c10248532ab426545 [0,1,1,0,0,0|1,0,0]=3 575 B8R0.6 CC=CCNC(=O)CC 0567aadeecba276bde20c091c56d95d3 [0,1,1,0,0,0|0,0,2]=4 576 B8R0.6 CC=CCNC(C)CC f9cefac49ef4449ba822519139889b26 [0,1,1,0,0,0|1,0,1]=4 577 B8R0.6 CC=CCOC(C)CC 462ecd62704a4aa668833628374dcdbd [0,1,1,0,0,0|1,0,1]=4 578 B8R0.6 CCC(=O)CNCC#N cd2d4ac86eb31d1927746a139e109e79 [0,1,1,0,0,0|1,0,1]=4 579 B8R0.6 CCC(=O)CNCCBr 4ae86c97534187fa67e366dfd1eebd3b [0,1,1,0,0,0|1,0,0]=3 580 B8R0.6 CCC(=O)CNCCF 0bc469d08994cf5b5fbc36250b4ccf28 [0,1,1,0,0,0|1,0,0]=3 581 B8R0.6 CCC(=O)CNCCI 652e280753f4ad7ee550469669c66e91 [0,1,1,0,0,0|1,0,0]=3 582 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [0,1,1,0,0,0|1,0,0]=3 583 B8R0.6 CCC(=O)CNCCS 5d6e1d449d9df5ddcd81a9e54a1f9bcc [0,1,1,0,0,0|1,0,0]=3 584 B8R0.6 CCC(=O)COCC#N df5b26610d1a9f1f635c4ac5e628d5dd [0,1,1,0,0,0|1,0,1]=4 585 B8R0.6 CCC(=O)COCC=O 7cd085a6fb80112ec425ed1d474b4c25 [0,1,1,0,0,0|1,0,1]=4 586 B8R0.6 CCC(=O)COCCF 42452841604a6e08503574a608b88150 [0,1,1,0,0,0|1,0,0]=3 587 B8R0.6 CCC(=O)COCCS 361d7f9395122f7ce5b0a13a0b0a8b7e [0,1,1,0,0,0|1,0,0]=3 588 B8R0.6 CCC(=O)COCOC 2080604d4fba0b9d8e850f3f84775a84 [0,1,1,0,0,0|1,0,0]=3 589 B8R0.6 CCC(=O)COCSC 20ce94165e7ab9ceae1e7c23a6d6840a [0,1,1,0,0,0|1,0,0]=3 590 B8R0.6 CCC(=O)NCCC#N 48cc6a86c0c6f5553ba199e61ccae9bf [0,1,1,0,0,0|1,0,1]=4 591 B8R0.6 CCC(=O)NCCCCl 8c01153ec31ae9cc62389708147e768e [0,1,1,0,0,0|1,0,0]=3 592 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [0,1,1,0,0,0|1,0,0]=3 593 B8R0.6 CCC(=O)NCCOC 23e877e020a2c5b2736fc6a95b7c4f02 [0,1,1,0,0,0|1,0,0]=3 594 B8R0.6 CCC(=O)NCCON 5aa4ed8a34147e98db8513bba6021eb1 [0,1,1,0,0,0|2,0,0]=4 595 B8R0.6 CCC(=O)NCCSC c0f9bf4f85b22a82daaa8b7807daec1c [0,1,1,0,0,0|1,0,0]=3 596 B8R0.6 CCC(C)CCNC#N e4f84fd8285c7aace071caec13b44745 [0,1,1,0,0,0|1,0,1]=4 597 B8R0.6 CCC(C)CCNC=O 558581aaa032d77ec9625244f37a5ff2 [0,1,1,0,0,0|0,0,0]=2 598 B8R0.6 CCC(C)CCNCF f015aff687b1ff0add996f7f0d7f62f2 [0,1,1,0,0,0|1,0,1]=4 599 B8R0.6 CCC(C)CCNCO a717183e2753a65ce41087de67df43e3 [0,1,1,0,0,0|0,0,2]=4 600 B8R0.6 CCC(C)CCOCF ad49fb93dbc6e5096875ca8b33e35d2e [0,1,1,0,0,0|1,0,1]=4 601 B8R0.6 CCC(C)CNCC#N 38477641e3aa4ed4ba2f6ba4c60eba47 [0,1,1,0,0,0|1,0,1]=4 602 B8R0.6 CCC(C)CNCC=O d00b0f81a0565e49d0bc6374b24732a9 [0,1,1,0,0,0|0,0,0]=2 603 B8R0.6 CCC(C)CNCCBr f2c1acb694015090e62b525b7fcc63c1 [0,1,1,0,0,0|1,0,1]=4 604 B8R0.6 CCC(C)CNCCF 2769db0f6fb5ed4083dc6fe23af3689f [0,1,1,0,0,0|1,0,1]=4 605 B8R0.6 CCC(C)CNCCI 3d06760a9b56f4c07583e19b707193ff [0,1,1,0,0,0|1,0,1]=4 606 B8R0.6 CCC(C)CNCCO 155e71acafbdad94431c08477c016c1f [0,1,1,0,0,0|0,0,2]=4 607 B8R0.6 CCC(C)CNCCS 5c126473eb834dd2e643033d1f0f9ac2 [0,1,1,0,0,0|0,1,1]=4 608 B8R0.6 CCC(C)CNCOC 13c5f2ed1d7a15909177c430e4e9ec33 [0,1,1,0,0,0|2,0,0]=4 609 B8R0.6 CCC(C)CNCSC 6f4b9794ed5c454ab126ae4d0e73a10c [0,1,1,0,0,0|2,0,0]=4 610 B8R0.6 CCC(C)COCC#N 62a406b374af06ea9f303b3b18120593 [0,1,1,0,0,0|1,0,1]=4 611 B8R0.6 CCC(C)COCC=O aceccf78c40e809dde74393b828702d0 [0,1,1,0,0,0|0,0,0]=2 612 B8R0.6 CCC(C)COCCF 234df3c7bd373782f0b57a992ab93926 [0,1,1,0,0,0|1,0,1]=4 613 B8R0.6 CCC(C)COCCS 16a35ab92232b38df6f41f25daef241c [0,1,1,0,0,0|0,1,1]=4 614 B8R0.6 CCC(C)COCOC 6dd199421c9efff2fe4c863bf565046e [0,1,1,0,0,0|2,0,0]=4 615 B8R0.6 CCC(C)COCSC c71a7ed276355c4fd851325151b38886 [0,1,1,0,0,0|2,0,0]=4 616 B8R0.6 CCC(C)NC/C=C/Cl 467cbcd280b08dfba642a757638807ad [0,1,1,0,0,0|1,0,1]=4 617 B8R0.6 CCC(C)NC/C=C\Cl eee0606f9adf032697943eb923b2835e [0,1,1,0,0,0|1,0,1]=4 618 B8R0.6 CCC(C)NC/C=C\O 818543bea0e96b4a0313764957053b41 [0,1,1,0,0,0|0,0,2]=4 619 B8R0.6 CCC(C)NCCC#N 9e04618e0f9590bb3f73f12735b7a355 [0,1,1,0,0,0|1,0,1]=4 620 B8R0.6 CCC(C)NCCC=O 315da1f228cd97e2635c09e3abdec4cc [0,1,1,0,0,0|0,0,0]=2 621 B8R0.6 CCC(C)NCCCCl 3c30fde6c5168ee70cde18df169dc1ce [0,1,1,0,0,0|1,0,1]=4 622 B8R0.6 CCC(C)NCCCF 67c9382accd96be051c233c106bd6818 [0,1,1,0,0,0|1,0,1]=4 623 B8R0.6 CCC(C)NCCCO 3a0518777cbee3c7e45bb22e20c87d57 [0,1,1,0,0,0|0,0,2]=4 624 B8R0.6 CCC(C)NCCCS 305cc88eaf0bb6e07e1ce30e503bc156 [0,1,1,0,0,0|0,1,1]=4 625 B8R0.6 CCC(C)NCCOC c25488696c4e2089a7e730cde3ffad4c [0,1,1,0,0,0|2,0,0]=4 626 B8R0.6 CCC(C)NCCON 6395e58d539f3295d755078dcbfef5b5 [0,1,1,0,0,0|2,0,0]=4 627 B8R0.6 CCC(C)NCCSC a7b869a85f7710a25c36dcb603db041a [0,1,1,0,0,0|2,0,0]=4 628 B8R0.6 CCC(C)OC/C=C/Cl 7289fd99765e7cf161b51f997847bf49 [0,1,1,0,0,0|1,0,1]=4 629 B8R0.6 CCC(C)OC/C=C\Cl 782b1df74804c15e4908554a5b09dc5f [0,1,1,0,0,0|1,0,1]=4 630 B8R0.6 CCC(C)OCC=CCl ef19df0abf0cca1b7fd475828cd20aba [0,1,1,0,0,0|1,0,1]=4 631 B8R0.6 CCC(C)OCCC#N 342676039e3021d65d1b18ff63ffe481 [0,1,1,0,0,0|1,0,1]=4 632 B8R0.6 CCC(C)OCCC=O f072f162ee9d24e1b36d781e9499869c [0,1,1,0,0,0|0,0,0]=2 633 B8R0.6 CCC(C)OCCCF 7608266ccc7b050cb1109bc78c6b6506 [0,1,1,0,0,0|1,0,1]=4 634 B8R0.6 CCC(C)OCCCS 59569899c7c7ea5a22586613c30dc74b [0,1,1,0,0,0|0,1,1]=4 635 B8R0.6 CCC(C)OCCOC 0f412b4c400bcc343476480e66445e27 [0,1,1,0,0,0|2,0,0]=4 636 B8R0.6 CCC(C)OCCSC f2031df256af2f97a18e4ed202bceae8 [0,1,1,0,0,0|2,0,0]=4 637 B8R0.6 CCC(O)CNCC=O 54e64a65f08901b7347dcf1abc24dda0 [0,1,1,0,0,0|1,0,0]=3 638 B8R0.6 CCCCCN(C)CC 9518c2300d9243488291f90365ee6acc [0,1,1,0,0,0|2,0,0]=4 639 B8R0.6 CCCCNC(=O)C=O f208026ec74ccdc3b90201942951f82d [0,1,1,0,0,0|1,0,1]=4 640 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [0,1,1,0,0,0|0,0,0]=2 641 B8R0.6 CCCCNC(=O)CF ccc4967a8e0a27400c7d0139924f7409 [0,1,1,0,0,0|1,0,0]=3 642 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,1,1,0,0,0|1,0,0]=3 643 B8R0.6 CCCCNC(=O)CS c89622d02eae8eb9fb1a47fc8bb6fb10 [0,1,1,0,0,0|1,0,0]=3 644 B8R0.6 CCCCNC(C)CC 2d727d0865e21d5f41a267ce6ca08059 [0,1,1,0,0,0|1,0,1]=4 645 B8R0.6 CCCCN[C@@H](C)CC a2ad9889b2a85548549a6f2a7991a4fa [0,1,1,0,0,0|1,0,1]=4 646 B8R0.6 CCCCN[C@H](C)CC 3ba343d5b09052d6e4ca4f315fa7a56a [0,1,1,0,0,0|1,0,1]=4 647 B8R0.6 CCCCOC(C)CC 7b743840237d8f1167e2a19145e2bb11 [0,1,1,0,0,0|1,0,1]=4 648 B8R0.6 CCCCO[C@@H](C)CC 0568b6feb97809cefc1cbb08ceebedee [0,1,1,0,0,0|1,0,1]=4 649 B8R0.6 CCCCO[C@H](C)CC 62d88e9696eb4ecbfe2b32e610c029fe [0,1,1,0,0,0|1,0,1]=4 650 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,1,1,0,0,0|0,0,0]=2 651 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,1,1,0,0,0|1,0,0]=3 652 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [0,1,1,0,0,0|1,0,0]=3 653 B8R0.6 CCCNCC(=O)NO ef6f70702891ae45e4d4bb0573b2f089 [0,1,1,0,0,0|2,0,0]=4 654 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [0,1,1,0,0,0|1,0,0]=3 655 B8R0.6 CCCNCC(C)CC dfac60b2da2755308d3835afbc0d45f5 [0,1,1,0,0,0|1,0,1]=4 656 B8R0.6 CCCNCC(O)CC 418992374fd97112480430826829281d [0,1,1,0,0,0|0,0,2]=4 657 B8R0.6 CCCNC[C@@H](C)CC 73078e899264ad747d5de555aa4e0e85 [0,1,1,0,0,0|1,0,1]=4 658 B8R0.6 CCCNC[C@H](C)CC eb45f8e833f0797e2ccdb45de94e8f7b [0,1,1,0,0,0|1,0,1]=4 659 B8R0.6 CCCNC[C@H](O)CC 9211d5b7ca8f98bcbe3545d0e681e4b6 [0,1,1,0,0,0|0,0,2]=4 660 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,1,1,0,0,0|0,0,0]=2 661 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,1,1,0,0,0|1,0,0]=3 662 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,1,1,0,0,0|1,0,0]=3 663 B8R0.6 CCCOCC(C)CC 8336a8fc5b3ea2d1a4239fcc430df35e [0,1,1,0,0,0|1,0,1]=4 664 B8R0.6 CCCOC[C@@H](C)CC c84fe828e09e77472347432e2d809559 [0,1,1,0,0,0|1,0,1]=4 665 B8R0.6 CCCOC[C@H](C)CC a570cde5a141abc9ae194e132ed8fa20 [0,1,1,0,0,0|1,0,1]=4 666 B8R0.6 CCN(C)CCCC=O 3dbfe5dc5050d94978ae64e6b9604998 [0,1,1,0,0,0|1,0,0]=3 667 B8R0.6 CCN(C)CCCCF 9cba963fe29e0e981772352c51d7f232 [0,1,1,0,0,0|2,0,0]=4 668 B8R0.6 CCN(C)CCCCO ef06c44e12b4087385bee7efb58bc669 [0,1,1,0,0,0|2,0,0]=4 669 B8R0.6 CCN(C)CCCOC 9daef8ee27bac836bae693fac9c07495 [0,1,1,0,0,0|2,0,0]=4 670 B8R0.6 CCN(C)CCCSC 730187a2113fbfde3873dca10ec6b3c0 [0,1,1,0,0,0|2,0,0]=4 671 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [0,1,1,0,0,0|1,0,0]=3 672 B8R0.6 CCNCCC(=O)NO 160d8ac572661099c06b72037ca2e0ea [0,1,1,0,0,0|2,0,0]=4 673 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [0,1,1,0,0,0|1,0,0]=3 674 B8R0.6 CCNCCC(C)CC 7d7a35762e8ac86a31a49df307629678 [0,1,1,0,0,0|1,0,1]=4 675 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [0,1,1,0,0,0|1,0,0]=3 676 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [0,1,1,0,0,0|1,0,0]=3 677 B8R0.6 CCOCCC(C)CC 0554257e939379702c3853cde29331cf [0,1,1,0,0,0|1,0,1]=4 678 B8R0.6 CCOCCC(S)CC b96bbf1eb0d6bf468c99e0b8751c21b4 [0,1,1,0,0,0|0,1,1]=4 679 B8R0.6 CCOCCN(C)CC 5ffc8bba3835a9b9f54e3085f5b172e3 [0,1,1,0,0,0|2,0,0]=4 680 B8R0.6 CCOCC[C@@H](C)CC 6ed2f49f8ab9032ae166b1c906dbc07b [0,1,1,0,0,0|1,0,1]=4 681 B8R0.6 CCSCCN(C)CC 077f8ad0cd3fd5bb632eef062cc525ef [0,1,1,0,0,0|2,0,0]=4 682 B8R0.6 CC[C@@H](C)CNCC#N 46f3ee838ba03ddfe9442800288d553c [0,1,1,0,0,0|1,0,1]=4 683 B8R0.6 CC[C@@H](C)CNCCBr 97d367e508fd39dc3ddcec44a8683cec [0,1,1,0,0,0|1,0,1]=4 684 B8R0.6 CC[C@@H](C)CNCCF 371b9b1c5529111d353d598e0b5660cb [0,1,1,0,0,0|1,0,1]=4 685 B8R0.6 CC[C@@H](C)CNCCI 32d54f8cdc3ec06753f18e3bb05477b7 [0,1,1,0,0,0|1,0,1]=4 686 B8R0.6 CC[C@@H](C)CNCCO e1fd496afac14166a64ee9248481c552 [0,1,1,0,0,0|0,0,2]=4 687 B8R0.6 CC[C@@H](C)CNCCS e87b39ea520a94f7427ff9e1f94a277c [0,1,1,0,0,0|0,1,1]=4 688 B8R0.6 CC[C@@H](C)COCC#N 8fa996cd8d8551a2ddb878b9691ec871 [0,1,1,0,0,0|1,0,1]=4 689 B8R0.6 CC[C@@H](C)COCC=O c20d93b7abbfab6c6470d540cd7a9908 [0,1,1,0,0,0|0,0,0]=2 690 B8R0.6 CC[C@@H](C)COCCF e20d781119f6b53ffb68ed6751ccaab2 [0,1,1,0,0,0|1,0,1]=4 691 B8R0.6 CC[C@@H](C)COCCS 234dff13be40377c551514da0380e41f [0,1,1,0,0,0|0,1,1]=4 692 B8R0.6 CC[C@@H](C)COCOC a052b0577e11ad1f5f6decbf2a414fe8 [0,1,1,0,0,0|2,0,0]=4 693 B8R0.6 CC[C@@H](C)COCSC 8b471433ffcca29c79070d25016db951 [0,1,1,0,0,0|2,0,0]=4 694 B8R0.6 CC[C@@H](C)NC/C=C/Cl 451353c431eb7a93abed8e53bc2b123c [0,1,1,0,0,0|1,0,1]=4 695 B8R0.6 CC[C@@H](C)NC/C=C\Cl b620ea9b070f06613fbae731992fe0d2 [0,1,1,0,0,0|1,0,1]=4 696 B8R0.6 CC[C@@H](C)NC/C=C\O b3c906b4f962e4324ee0f2eb29040690 [0,1,1,0,0,0|0,0,2]=4 697 B8R0.6 CC[C@@H](C)NCCC#N 47246973971343e74c2c367b75371f8e [0,1,1,0,0,0|1,0,1]=4 698 B8R0.6 CC[C@@H](C)NCCC=O 7e1102ccaaec525d37867fc7a78c5909 [0,1,1,0,0,0|0,0,0]=2 699 B8R0.6 CC[C@@H](C)NCCCF 5505371a202bfecabfd929226673cd4e [0,1,1,0,0,0|1,0,1]=4 700 B8R0.6 CC[C@@H](C)NCCCO dc42ae2f8c45e28af7ed7e47c2ed7508 [0,1,1,0,0,0|0,0,2]=4 701 B8R0.6 CC[C@@H](C)NCCCS d018b350a4f6c69980561293a6f52a5a [0,1,1,0,0,0|0,1,1]=4 702 B8R0.6 CC[C@@H](C)NCCOC 9bc6267f1aec0efa010d02896e34635b [0,1,1,0,0,0|2,0,0]=4 703 B8R0.6 CC[C@@H](C)NCCSC 3870552ed0d765a76f3d579fe3568814 [0,1,1,0,0,0|2,0,0]=4 704 B8R0.6 CC[C@@H](C)OC/C=C/Cl c34364513c04e8915ef6c131e4f06a8c [0,1,1,0,0,0|1,0,1]=4 705 B8R0.6 CC[C@@H](C)OC/C=C\Cl 99964f3d7dd6d863219720dba22e4d9f [0,1,1,0,0,0|1,0,1]=4 706 B8R0.6 CC[C@@H](C)OCCC#N ce18d924e2de41f74db5a2beab4800ac [0,1,1,0,0,0|1,0,1]=4 707 B8R0.6 CC[C@@H](C)OCCC=O 368bcae871eba79a6fc9cfc4628ca9f3 [0,1,1,0,0,0|0,0,0]=2 708 B8R0.6 CC[C@@H](C)OCCCF 7b91ef4d02ffce6366f05b07d4bc01d9 [0,1,1,0,0,0|1,0,1]=4 709 B8R0.6 CC[C@@H](C)OCCCS 6c6c2f22fccb8037a5b6c2c37163f959 [0,1,1,0,0,0|0,1,1]=4 710 B8R0.6 CC[C@@H](C)OCCOC db30ac2bff0c750a2289ad4cf8a04d34 [0,1,1,0,0,0|2,0,0]=4 711 B8R0.6 CC[C@@H](C)OCCSC ce99c06b76dfa3d0696884b1a7785ccb [0,1,1,0,0,0|2,0,0]=4 712 B8R0.6 CC[C@@H](O)CNCC=O e6c97da33124e077a1a003eda729d8a4 [0,1,1,0,0,0|1,0,0]=3 713 B8R0.6 CC[C@H](C)CCOCF 4b30d5d94bbbb4fdbcf22cabd2f557ea [0,1,1,0,0,0|1,0,1]=4 714 B8R0.6 CC[C@H](C)CNCC#N fc06135c10662caeee07519834e6b41d [0,1,1,0,0,0|1,0,1]=4 715 B8R0.6 CC[C@H](C)CNCC=O 2b0760fdc9935c799222d1a5925541c3 [0,1,1,0,0,0|0,0,0]=2 716 B8R0.6 CC[C@H](C)CNCCBr 2e85ca9af829ee3543f995580cf76d82 [0,1,1,0,0,0|1,0,1]=4 717 B8R0.6 CC[C@H](C)CNCCF fd752c7a6560f165a21d0e39ed53ebde [0,1,1,0,0,0|1,0,1]=4 718 B8R0.6 CC[C@H](C)CNCCI 26f262acafd0f04ce8a19af0b38e24de [0,1,1,0,0,0|1,0,1]=4 719 B8R0.6 CC[C@H](C)CNCCO b6e69a08d3d39a8bf31c308cc288716e [0,1,1,0,0,0|0,0,2]=4 720 B8R0.6 CC[C@H](C)CNCCS 8becd07c6bd7a230f4fc120a932c3696 [0,1,1,0,0,0|0,1,1]=4 721 B8R0.6 CC[C@H](C)CNCOC 8d958d2c5c153e54d7b348639f09f01f [0,1,1,0,0,0|2,0,0]=4 722 B8R0.6 CC[C@H](C)CNCSC 09c62bc5d5574c3389dd8bafebc19969 [0,1,1,0,0,0|2,0,0]=4 723 B8R0.6 CC[C@H](C)COCC#N ad9268c909205ad489dd435f4b2e0e66 [0,1,1,0,0,0|1,0,1]=4 724 B8R0.6 CC[C@H](C)COCC=O 96abd8316d02f524642d5d119877059b [0,1,1,0,0,0|0,0,0]=2 725 B8R0.6 CC[C@H](C)COCCF a3b7b17681d654662c51b9200aeead3e [0,1,1,0,0,0|1,0,1]=4 726 B8R0.6 CC[C@H](C)COCCS 6e8b2990a3d1b06c800b4386782cc666 [0,1,1,0,0,0|0,1,1]=4 727 B8R0.6 CC[C@H](C)COCOC c9deb84f6c5c3c42953d4555c52f366b [0,1,1,0,0,0|2,0,0]=4 728 B8R0.6 CC[C@H](C)COCSC 8b7f4fdb54794462883a4b1b9a971b1c [0,1,1,0,0,0|2,0,0]=4 729 B8R0.6 CC[C@H](C)NC/C=C/Cl 492df1ac73249588a03c66c2511ceb2e [0,1,1,0,0,0|1,0,1]=4 730 B8R0.6 CC[C@H](C)NC/C=C\Cl 22dce979b1ae8d3c91df23f8a60d217a [0,1,1,0,0,0|1,0,1]=4 731 B8R0.6 CC[C@H](C)NC/C=C\O fba44c9072095af513e500375848defd [0,1,1,0,0,0|0,0,2]=4 732 B8R0.6 CC[C@H](C)NCCC#N 21098fb0575477acb44aaf5e0970ee50 [0,1,1,0,0,0|1,0,1]=4 733 B8R0.6 CC[C@H](C)NCCC=O a962ffc26cc849df8f10ed5a3a3f3407 [0,1,1,0,0,0|0,0,0]=2 734 B8R0.6 CC[C@H](C)NCCCF d08d092d569ce6563951c753af4fb97c [0,1,1,0,0,0|1,0,1]=4 735 B8R0.6 CC[C@H](C)NCCCO ecbac2a864467c7a08e0fe04708373c7 [0,1,1,0,0,0|0,0,2]=4 736 B8R0.6 CC[C@H](C)NCCCS cdf23c371c67ce79e2901b4af058d9c9 [0,1,1,0,0,0|0,1,1]=4 737 B8R0.6 CC[C@H](C)NCCOC 38a5269e53cebe3176cb690b2be4e7fa [0,1,1,0,0,0|2,0,0]=4 738 B8R0.6 CC[C@H](C)NCCSC b6fc5b7faab69eb04934aa5da5f5a009 [0,1,1,0,0,0|2,0,0]=4 739 B8R0.6 CC[C@H](C)OC/C=C/Cl 7bdd53a35156cd2801ddedbeb48a16cf [0,1,1,0,0,0|1,0,1]=4 740 B8R0.6 CC[C@H](C)OC/C=C\Cl 54ad37e3a2338523611e2faf3cc73677 [0,1,1,0,0,0|1,0,1]=4 741 B8R0.6 CC[C@H](C)OCCC#N 237a0d01f5b81cfb24d481cddb0f22b8 [0,1,1,0,0,0|1,0,1]=4 742 B8R0.6 CC[C@H](C)OCCC=O 663f558856e5f356903f7f6932db0707 [0,1,1,0,0,0|0,0,0]=2 743 B8R0.6 CC[C@H](C)OCCCF b238d2d8b5858677f211108a6f007a3e [0,1,1,0,0,0|1,0,1]=4 744 B8R0.6 CC[C@H](C)OCCCS a5391396126af079b7e941809a4b6adf [0,1,1,0,0,0|0,1,1]=4 745 B8R0.6 CC[C@H](C)OCCOC fe75e9412a4cbec1e3be8b753803fef8 [0,1,1,0,0,0|2,0,0]=4 746 B8R0.6 CC[C@H](C)OCCSC 859d8c0e08c17053da54ea6974440015 [0,1,1,0,0,0|2,0,0]=4 747 B8R0.6 CNC(=O)CCNCF 7d032297ec7b15962e82d70691941148 [0,1,1,0,0,0|2,0,0]=4 748 B8R0.6 CNC(=O)CCNCO f9748f0c4978ae72b7a558591315c7a3 [0,1,1,0,0,0|2,0,0]=4 749 B8R0.6 CNC(=O)CCOCF d44958e5865e9e15b8b4578e30ceba1f [0,1,1,0,0,0|2,0,0]=4 750 B8R0.6 CNC(=O)CNCCBr 6c7bbb2b8e2277851a9c4b1ee98b855e [0,1,1,0,0,0|2,0,0]=4 751 B8R0.6 CNC(=O)CNCCF ad7e29831d5186eb0f908b77a11c392c [0,1,1,0,0,0|2,0,0]=4 752 B8R0.6 CNC(=O)CNCCI e2ceae3c2127a1926854bc9548bd60de [0,1,1,0,0,0|2,0,0]=4 753 B8R0.6 CNC(=O)CNCCO 6524c53498939c1e86b45867695a7210 [0,1,1,0,0,0|2,0,0]=4 754 B8R0.6 CNC(=O)CNCCS 910fb23341c3da7d5e154bf7558a8aca [0,1,1,0,0,0|2,0,0]=4 755 B8R0.6 CNC(=O)CNCOC 8847ec992234bab2b496b10120a2af91 [0,1,1,0,0,0|2,0,0]=4 756 B8R0.6 CNC(=O)CNCSC 885b3d7715d4a99b7fd1330a008578d3 [0,1,1,0,0,0|2,0,0]=4 757 B8R0.6 CNC(=O)COCCF 12ab537cbcf65659b34d887d9c7fb928 [0,1,1,0,0,0|2,0,0]=4 758 B8R0.6 CNC(=O)COCCS 63270616340bb3c6f39f4a96b70e09a6 [0,1,1,0,0,0|2,0,0]=4 759 B8R0.6 CNC(=O)COCOC 3537c715a815bdbf6b14bfada111b9bd [0,1,1,0,0,0|2,0,0]=4 760 B8R0.6 CNC(=O)COCSC 241621ed8c34a22b0f5a33905a2ce887 [0,1,1,0,0,0|2,0,0]=4 761 B8R0.6 COC(=O)CCNCF c9ea88c8e4da792c48ff261f6679c953 [0,1,1,0,0,0|2,0,0]=4 762 B8R0.6 COC(=O)CCNCO 9bc4822c35c94c877fc0ddc05b282774 [0,1,1,0,0,0|2,0,0]=4 763 B8R0.6 COC(=O)CCOCF 2f015a84e5a71939cec0c0c38276031f [0,1,1,0,0,0|2,0,0]=4 764 B8R0.6 COC(=O)CNCCBr e28aeca94e61f0de9c0ea2f9b9e87e88 [0,1,1,0,0,0|2,0,0]=4 765 B8R0.6 COC(=O)CNCCF d4a8c2b68347ac06f3cf07a0af263386 [0,1,1,0,0,0|2,0,0]=4 766 B8R0.6 COC(=O)CNCCI 45efb0e66cb53512c5450123a0571534 [0,1,1,0,0,0|2,0,0]=4 767 B8R0.6 COC(=O)CNCCO 9abf03e13c5594ade083b34dd22b9514 [0,1,1,0,0,0|2,0,0]=4 768 B8R0.6 COC(=O)CNCCS dafa382862b39c74b9bcdca9e45699c9 [0,1,1,0,0,0|2,0,0]=4 769 B8R0.6 COC(=O)CNCSC 8f9e6be1c8a25920663107a786d297b6 [0,1,1,0,0,0|2,0,0]=4 770 B8R0.6 COC(=O)COCCF 5fd538a27028a3025713a820ebe3ece9 [0,1,1,0,0,0|2,0,0]=4 771 B8R0.6 COC(=O)COCCS 8cf490d3a85a4d72de5bf7120c96cf93 [0,1,1,0,0,0|2,0,0]=4 772 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [0,1,1,0,0,0|2,0,0]=4 773 B8R0.6 COC(C)COCC=O d60b36a618df9b4241244f9566ecdc5f [0,1,1,0,0,0|1,0,0]=3 774 B8R0.6 COCCNC(=O)CF a94db18f72aef2ec4c716239c23c2008 [0,1,1,0,0,0|2,0,0]=4 775 B8R0.6 COCCNC(=O)CO d671289b16ab36037d0c8d78118b8d68 [0,1,1,0,0,0|2,0,0]=4 776 B8R0.6 COCCNC(=O)CS 4b3174b27751971a4c745429c4f67196 [0,1,1,0,0,0|2,0,0]=4 777 B8R0.6 COCNCC(=O)OC 418d993c7f5c594cafa954c9550f79e1 [0,1,1,0,0,0|2,0,0]=4 778 B8R0.6 COCOCC(=O)OC 2b399bb8cae6f66d03fa8086bd2ee628 [0,1,1,0,0,0|2,0,0]=4 779 B8R0.6 CO[C@@H](C)CNCC=O 2b4a7e30da32bc7234bd11589f11e153 [0,1,1,0,0,0|1,0,0]=3 780 B8R0.6 CO[C@@H](C)COCC=O 07ee3a6b4ceb80665f98c8f198456fc5 [0,1,1,0,0,0|1,0,0]=3 781 B8R0.6 CO[C@H](C)CNCC=O 7ca0dc6a01650113664fa48ed0e0ea51 [0,1,1,0,0,0|1,0,0]=3 782 B8R0.6 CO[C@H](C)COCC=O 8da8ed3e6726a83c5f05e475965abd23 [0,1,1,0,0,0|1,0,0]=3 783 B8R0.6 CSCCNC(=O)CF 57944584a9e694467df2be000c951ad6 [0,1,1,0,0,0|2,0,0]=4 784 B8R0.6 CSCCNC(=O)CO 65e8216c2feaa293039f65fdae32ef6d [0,1,1,0,0,0|2,0,0]=4 785 B8R0.6 CSCCNC(=O)CS 2af34aeed751cd9e812792b0dc7e1060 [0,1,1,0,0,0|2,0,0]=4 786 B8R0.6 C[C@@H](CO)CCNC=O 3feffe28caaaf0dbda7fb0990299be3b [0,1,1,0,0,0|1,0,0]=3 787 B8R0.6 C[C@@H](CO)NCCC=O 608fd81196e1155374938b5ce9be9d11 [0,1,1,0,0,0|1,0,0]=3 788 B8R0.6 C[C@H](C=O)OCCC=O 87e4ed47a9b86d975af2139f6b104017 [0,1,1,0,0,0|1,0,1]=4 789 B8R0.6 C[C@H](CO)CNCC=O ce3576180443b7d133df7f39370d8756 [0,1,1,0,0,0|1,0,0]=3 790 B8R0.6 C[C@H](CO)NCCC=O c6b2b9a5a05147f280b25371b2bca5f0 [0,1,1,0,0,0|1,0,0]=3 791 B8R0.6 C[C@H](CS)OCCC=O 59b0d090dd51e3a701804a923bcfc9bf [0,1,1,0,0,0|1,0,0]=3 792 B8R0.6 O=C(CF)NCCCCl 934b8e6ee889c80727ea8b7e3cae7f71 [0,1,1,0,0,0|2,0,0]=4 793 B8R0.6 O=C(CF)NCCCO f98476c767e724b095b3ceb9c47c191c [0,1,1,0,0,0|2,0,0]=4 794 B8R0.6 O=C(CO)CNCCBr 4b4dd4df91e92b925ca40ac918c073a9 [0,1,1,0,0,0|2,0,0]=4 795 B8R0.6 O=C(CO)CNCCF 9f05edaf4811ba7f9ac498eb6a37ffc4 [0,1,1,0,0,0|2,0,0]=4 796 B8R0.6 O=C(CO)CNCCI fad7dbe7caa4eb2201e5d92c6c999ddf [0,1,1,0,0,0|2,0,0]=4 797 B8R0.6 O=C(CO)CNCCO 8473c1767740ea9d135f46111299d63c [0,1,1,0,0,0|2,0,0]=4 798 B8R0.6 O=C(CO)CNCCS 0b181a826e47050c4e6ba69a8d17fa11 [0,1,1,0,0,0|2,0,0]=4 799 B8R0.6 O=C(CO)NCCCCl 0c789d035d9d5ee643962906d4106d8a [0,1,1,0,0,0|2,0,0]=4 800 B8R0.6 O=C(CO)NCCCO 8d20a4d16a68281342a6c9aa794f8168 [0,1,1,0,0,0|2,0,0]=4 801 B8R0.6 O=C(CS)NCCCCl 17654daec75e68e56a406f3209f982cd [0,1,1,0,0,0|2,0,0]=4 802 B8R0.6 O=C(CS)NCCCO 9609fec7c0df8b51e8b529e1db0af996 [0,1,1,0,0,0|2,0,0]=4 803 B8R0.6 O=CCNCC(Br)CBr f8b4628b874c00ea67f5b1ea31294bcb [0,1,1,0,0,0|2,0,0]=4 804 B8R0.6 O=CCNCC(F)CO 46d395441643b8391343b1608d225a77 [0,1,1,0,0,0|2,0,0]=4 805 B8R0.6 O=CCNCC(O)CO fda7899aa326db8479a7cf6ed9ff5496 [0,1,1,0,0,0|2,0,0]=4 806 B8R0.6 O=CCNC[C@@H](F)CO 5e18cd98a50b003516d72cc51ca3a1a4 [0,1,1,0,0,0|2,0,0]=4 807 B8R0.6 O=CCNC[C@@H](O)CO cfa882ca9454e8329a6128be9a5cb6e1 [0,1,1,0,0,0|2,0,0]=4 808 B8R0.6 O=CCNC[C@H](F)CO daaf806b3ec268a7d82f89fcafa4ccb5 [0,1,1,0,0,0|2,0,0]=4 809 B8R0.6 O=CCNC[C@H](O)CO 7ac55096fec47b7cc6006cf27ed82417 [0,1,1,0,0,0|2,0,0]=4 810 B8R0.6 O=CCOCC(Br)CBr aae332e0e58a483c7a378575c78ea8c6 [0,1,1,0,0,0|2,0,0]=4 811 B8R0.6 O=CCOCC(Cl)CCl 6c5deed46908ce8b01b3167bdc1c4832 [0,1,1,0,0,0|2,0,0]=4 812 B8R0.6 O=CCOCC(S)CS bd94fe95bf66dc42f5eb22995ef59c1b [0,1,1,0,0,0|2,0,0]=4 813 B8R0.6 O=CNCCC(O)CO e7dc97883d31a0c7dd013812e3944a74 [0,1,1,0,0,0|2,0,0]=4 814 B8R0.8 C=C(C)C(=O)NCCC 2afd5e95dd9734696b78b1287c8e40c3 [0,1,1,0,0,0|1,0,1]=4 815 B8R0.8 C=CCCN(C)C(C)C be0919bf7338ac44844869a6227e18ce [0,1,1,0,0,0|2,0,0]=4 816 B8R0.8 C=CCNC(C)C(C)C aa6dca52f8f7036289360e5e3602fa9f [0,1,1,0,0,0|2,0,0]=4 817 B8R0.8 C=CCNC(C)C(C)O a63cc819faffcf4d8f0ecbce096fd10a [0,1,1,0,0,0|2,0,0]=4 818 B8R0.8 C=CCN[C@@H](C)C(C)C 5b1a97f01f322fc50ca513c9b9d7d1df [0,1,1,0,0,0|2,0,0]=4 819 B8R0.8 C=CCN[C@H](C)C(C)C a756fd8bb791b035f4648efddcd7fe78 [0,1,1,0,0,0|2,0,0]=4 820 B8R0.8 C=CCOC(C)C(C)C df599d8f0a3e3227a2f32e12d329969e [0,1,1,0,0,0|2,0,0]=4 821 B8R0.8 C=CCOC(C)C(C)S 751a6cfbcd5012c9be009f27fc1808ca [0,1,1,0,0,0|2,0,0]=4 822 B8R0.8 C=CCO[C@@H](C)C(C)C 7dd431dc0ac33224bf589664a60f33d6 [0,1,1,0,0,0|2,0,0]=4 823 B8R0.8 C=CCO[C@H](C)C(C)C 92f8c5c268803a32ca406f92c9c094af [0,1,1,0,0,0|2,0,0]=4 824 B8R0.8 CC(=O)C(C)OCC=O b74e7c61b80a0c717901ca8c420abcfa [0,1,1,0,0,0|1,0,1]=4 825 B8R0.8 CC(C)C(C)NCC=O 7480596882376427695ab906c9a7bfb0 [0,1,1,0,0,0|1,0,0]=3 826 B8R0.8 CC(C)C(C)OCC=O ce23aaf71e4025cbdc74369cbf39ec61 [0,1,1,0,0,0|1,0,0]=3 827 B8R0.8 CC(C)C(O)CNC=O 60e39351432db3e8d29156b9b9cbfea4 [0,1,1,0,0,0|2,0,0]=4 828 B8R0.8 CC(C)N(C)CCC=O 35a1a35e01b1c9ac6c32f45a18f937cb [0,1,1,0,0,0|1,0,0]=3 829 B8R0.8 CC(C)[C@@H](C)NCC=O fe4cca6e9187eefae56d7c7e9b333cad [0,1,1,0,0,0|1,0,0]=3 830 B8R0.8 CC(C)[C@@H](C)OCC=O 8cb7fc9ac2c6caf3bd0148655550849f [0,1,1,0,0,0|1,0,0]=3 831 B8R0.8 CC(C)[C@H](C)NCC=O b91fe17b3c92a1482d1cf7254f00a408 [0,1,1,0,0,0|1,0,0]=3 832 B8R0.8 CC(C)[C@H](C)OCC=O 42c325ee3d5f7ae3be802a85dcd7d5a5 [0,1,1,0,0,0|1,0,0]=3 833 B8R0.8 CC(CNC=O)N(C)C cf5b00de5b0d05aaa1417f75408e48c9 [0,1,1,0,0,0|2,0,0]=4 834 B8R0.8 CC(F)C(=O)NCCI 8a0369cfed1018ee828f00a2e04759cb [0,1,1,0,0,0|2,0,0]=4 835 B8R0.8 CC(F)C(=O)NCCO 5714b08de3ce4f90a90b82e533206732 [0,1,1,0,0,0|2,0,0]=4 836 B8R0.8 CC(F)C(=O)NCCS b39d80e8f07ef9221c0aa27f4f78917f [0,1,1,0,0,0|2,0,0]=4 837 B8R0.8 CC(O)C(=O)NCCF 91832489eb3405f9b8e768fbbfba918a [0,1,1,0,0,0|2,0,0]=4 838 B8R0.8 CC(O)C(=O)NCCI 5facf5561b562fe9df389faa15b577b9 [0,1,1,0,0,0|2,0,0]=4 839 B8R0.8 CC(O)C(=O)NCCO 6eae43744294511500b3285e9523f49e [0,1,1,0,0,0|2,0,0]=4 840 B8R0.8 CC(O)C(=O)NCCS e3260ab4fe247ca165e429cfa29782cf [0,1,1,0,0,0|2,0,0]=4 841 B8R0.8 CC(O)C(C)NCC=O e305fe128f0a78b8ad0315156373b87a [0,1,1,0,0,0|1,0,0]=3 842 B8R0.8 CC(OCC=O)C(F)F 96df0d90261e56278cc976d2fd1f5510 [0,1,1,0,0,0|2,0,0]=4 843 B8R0.8 CC(S)C(=O)NCCBr 126071a5e51b1b4d749efb8373eb23f1 [0,1,1,0,0,0|2,0,0]=4 844 B8R0.8 CC(S)C(=O)NCCF bd1e9d5683d56052e1e5cebd3f28f61a [0,1,1,0,0,0|2,0,0]=4 845 B8R0.8 CC(S)C(=O)NCCI d038059eeddb4ba2e800fd8c5ef18be5 [0,1,1,0,0,0|2,0,0]=4 846 B8R0.8 CC(S)C(=O)NCCO 3004d33b884c289d9839660aa24797db [0,1,1,0,0,0|2,0,0]=4 847 B8R0.8 CC(S)C(=O)NCCS 94de661ebd08e98861fe24c1031e17a2 [0,1,1,0,0,0|2,0,0]=4 848 B8R0.8 CC(S)C(C)OCC=O be24c910a021f9f13deb5a032f14acad [0,1,1,0,0,0|1,0,0]=3 849 B8R0.8 CCCCN(C)C(C)C 4a3f335e6c2bdd887eef651ff194ba1b [0,1,1,0,0,0|2,0,0]=4 850 B8R0.8 CCCNC(=O)C(=O)C 6616f52ba2db0bc51edea61ef0a86e36 [0,1,1,0,0,0|1,0,1]=4 851 B8R0.8 CCCNC(=O)C(C)F 26c3e292e8bf81a2774c215b87fe205c [0,1,1,0,0,0|1,0,0]=3 852 B8R0.8 CCCNC(=O)C(C)O 1c4275cc840c120b08a43a51d620d9a2 [0,1,1,0,0,0|1,0,0]=3 853 B8R0.8 CCCNC(=O)C(C)S 14ef60dcd7bf53e38f1b48b3ac0916eb [0,1,1,0,0,0|1,0,0]=3 854 B8R0.8 CCCNC(=O)C(F)F 071dc3f73dcbda1779f15b4fb1ae3271 [0,1,1,0,0,0|2,0,0]=4 855 B8R0.8 CCCNC(=O)C(O)O 1935daac569a1d73c1bfec746173b734 [0,1,1,0,0,0|2,0,0]=4 856 B8R0.8 CCCNC(=O)[C@@H](C)F 56745f27d02daa9bdc007207f8e02ad7 [0,1,1,0,0,0|1,0,0]=3 857 B8R0.8 CCCNC(=O)[C@@H](C)O dd45fdcbcb7fa52143ea0a380ce96207 [0,1,1,0,0,0|1,0,0]=3 858 B8R0.8 CCCNC(=O)[C@H](C)F a5efcba7d8423bf0c2ba50ff959f1165 [0,1,1,0,0,0|1,0,0]=3 859 B8R0.8 CCCNC(=O)[C@H](C)O b394796d74a22374522cf1e72768ff60 [0,1,1,0,0,0|1,0,0]=3 860 B8R0.8 CCNCC(=O)N(C)C cbb9e14980a25920980b7a9bd2e1ff0d [0,1,1,0,0,0|2,0,0]=4 861 B8R0.8 CCOCC(=O)N(C)C d0c210c00ef540f269d37621e03eeac7 [0,1,1,0,0,0|2,0,0]=4 862 B8R0.8 C[C@@H](F)C(=O)NCCI 3800b05361fad7ddfa1629fce9d20fa0 [0,1,1,0,0,0|2,0,0]=4 863 B8R0.8 C[C@@H](F)C(=O)NCCO d7174fc5c801463ae00a56232eff941a [0,1,1,0,0,0|2,0,0]=4 864 B8R0.8 C[C@@H](F)C(=O)NCCS 749fd7706d0ec6e0daade6c7e1cd3708 [0,1,1,0,0,0|2,0,0]=4 865 B8R0.8 C[C@@H](NCC=O)C(F)F 5b83fbef2175df087031568a6881ac11 [0,1,1,0,0,0|2,0,0]=4 866 B8R0.8 C[C@@H](O)C(=O)NCCF a16414928601b2d6fce8684097146547 [0,1,1,0,0,0|2,0,0]=4 867 B8R0.8 C[C@@H](O)C(=O)NCCI 12bd14996ece1fc55d11b04df696dca9 [0,1,1,0,0,0|2,0,0]=4 868 B8R0.8 C[C@@H](O)C(=O)NCCO 35de042b0d140c54bda91feb1cdb127d [0,1,1,0,0,0|2,0,0]=4 869 B8R0.8 C[C@@H](O)C(=O)NCCS 4ea55b84babe82864696fb723221b8ee [0,1,1,0,0,0|2,0,0]=4 870 B8R0.8 C[C@H](F)C(=O)NCCI 5f656c51ae2dfaf00b4ef9a34c71ecd6 [0,1,1,0,0,0|2,0,0]=4 871 B8R0.8 C[C@H](F)C(=O)NCCO 3757477e5dbeaeb7bd7368631f26cff2 [0,1,1,0,0,0|2,0,0]=4 872 B8R0.8 C[C@H](F)C(=O)NCCS 768c95e6a0f1ac131a654b3bd54857ca [0,1,1,0,0,0|2,0,0]=4 873 B8R0.8 C[C@H](NCC=O)C(F)F 9da8a7a8d3c80cb640858b67518f4125 [0,1,1,0,0,0|2,0,0]=4 874 B8R0.8 C[C@H](O)C(=O)NCCF 9cb153874861efa121a2a3efd64f7b30 [0,1,1,0,0,0|2,0,0]=4 875 B8R0.8 C[C@H](O)C(=O)NCCI fb8bee75ecdef23926c8dd96e5a8446c [0,1,1,0,0,0|2,0,0]=4 876 B8R0.8 C[C@H](O)C(=O)NCCO a8a620bab8ff63cc8d6c82762d26d446 [0,1,1,0,0,0|2,0,0]=4 877 B8R0.8 C[C@H](O)C(=O)NCCS 473cfe5bd499406c2c4ec28ce5acf099 [0,1,1,0,0,0|2,0,0]=4 878 B8R0.9 C=C(Br)CNC(C)CC e82847dcad9ed2bd533fd2563c3b519d [0,1,1,0,0,0|2,0,0]=4 879 B8R0.9 C=C(Br)CN[C@@H](C)CC 37f7a7e42f3e467987064f3f419e144d [0,1,1,0,0,0|2,0,0]=4 880 B8R0.9 C=C(Br)CN[C@H](C)CC 1b5c6508d8f52572aaaac189914383ff [0,1,1,0,0,0|2,0,0]=4 881 B8R0.9 C=C(Br)COC(C)CC 49feeff7986d6ae4fb296a8afe6d8ffc [0,1,1,0,0,0|2,0,0]=4 882 B8R0.9 C=C(Br)CO[C@@H](C)CC 868ef2581d68bb1b094a2fa1f8b58132 [0,1,1,0,0,0|2,0,0]=4 883 B8R0.9 C=C(Br)CO[C@H](C)CC 896e023f3f172d1a0521ca41c722cbcb [0,1,1,0,0,0|2,0,0]=4 884 B8R0.9 C=C(C)CCN(C)CC 975bc598c990d4455049b666e0eec143 [0,1,1,0,0,0|2,0,0]=4 885 B8R0.9 C=C(C)CNC(=O)CC 32c4b91879f81cdaadb4286b48c67a5d [0,1,1,0,0,0|1,0,1]=4 886 B8R0.9 C=C(C)CNC(C)CC 256f62cec490bafed043741999c25df4 [0,1,1,0,0,0|2,0,0]=4 887 B8R0.9 C=C(C)CN[C@@H](C)CC d26c3d64a9f189169a5866d4e2b497b9 [0,1,1,0,0,0|2,0,0]=4 888 B8R0.9 C=C(C)CN[C@H](C)CC 63a0b508416fa3ab231e5f743622aa6e [0,1,1,0,0,0|2,0,0]=4 889 B8R0.9 C=C(C)COC(C)CC 4482bd721211f848f89897698cdef93d [0,1,1,0,0,0|2,0,0]=4 890 B8R0.9 C=C(C)CO[C@@H](C)CC 1f8fa1d6bc957d679b02c8c39dd68048 [0,1,1,0,0,0|2,0,0]=4 891 B8R0.9 C=C(C)CO[C@H](C)CC 4903f87f8690f044163b36d5c736143f [0,1,1,0,0,0|2,0,0]=4 892 B8R0.9 C=C(CC)COC(C)C 158b3c8f8440057d90f95fd6ad44dfdf [0,1,1,0,0,0|2,0,0]=4 893 B8R0.9 C=C(Cl)CNC(C)CC 076dd5595da9764c1f8638621b66326f [0,1,1,0,0,0|2,0,0]=4 894 B8R0.9 C=C(Cl)CN[C@@H](C)CC 6844b9915d30cf390d84dd923074ff78 [0,1,1,0,0,0|2,0,0]=4 895 B8R0.9 C=C(Cl)CN[C@H](C)CC 00f99e20e2c66def762893e8ac89e470 [0,1,1,0,0,0|2,0,0]=4 896 B8R0.9 C=C(Cl)COC(C)CC 683db6dee4558a7fd0cf1ddd08de7466 [0,1,1,0,0,0|2,0,0]=4 897 B8R0.9 C=C(Cl)CO[C@@H](C)CC f1b2ffe2d8a3606ba8db6452fbde499c [0,1,1,0,0,0|2,0,0]=4 898 B8R0.9 C=C(Cl)CO[C@H](C)CC e33ef1408b617f755d53e1b85c1dd1a5 [0,1,1,0,0,0|2,0,0]=4 899 B8R0.9 C=C(I)COC(C)CC 1c02165e4082ec06ba2c7744789ae92c [0,1,1,0,0,0|2,0,0]=4 900 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,1,1,0,0,0|2,0,0]=4 901 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,1,1,0,0,0|2,0,0]=4 902 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,1,1,0,0,0|2,0,0]=4 903 B8R0.9 CC(=O)NCC(C)CO 5107eece73873b4763584dc1449ad61c [0,1,1,0,0,0|2,0,0]=4 904 B8R0.9 CC(=O)NC[C@H](C)CO 5409bde0c2b60b9f7b568586e701b259 [0,1,1,0,0,0|2,0,0]=4 905 B8R0.9 CC(C)CNC(=O)CF 9eb01591588fc3f21824d07c6994c4ce [0,1,1,0,0,0|2,0,0]=4 906 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,1,1,0,0,0|2,0,0]=4 907 B8R0.9 CC(C)CNC(=O)CS 24a37322ef0bc9a4c645dfd16fd4ed0f [0,1,1,0,0,0|2,0,0]=4 908 B8R0.9 CC(CF)OCC(=O)N 85ec4187286fdad5a9553ca5e7cee35f [0,1,1,0,0,0|2,0,0]=4 909 B8R0.9 CC(CF)OCC(=O)O 72064f294e73f6a982bc7e430390395e [0,1,1,0,0,0|2,0,0]=4 910 B8R0.9 CC(CO)NCC(=O)N ca275a4ad15d32e500ba974468999137 [0,1,1,0,0,0|2,0,0]=4 911 B8R0.9 CC(CO)NCC(=O)O 3fa1442f69c9dfa3ad5830b54dce922d [0,1,1,0,0,0|2,0,0]=4 912 B8R0.9 CC(CS)OCC(=O)N b11e299a771877421c46b123080a3ea9 [0,1,1,0,0,0|2,0,0]=4 913 B8R0.9 CC(CS)OCC(=O)O 6f586a0cfc007fa60414bad735acd25c [0,1,1,0,0,0|2,0,0]=4 914 B8R0.9 CC(O)CNC(=O)CF d59c5e79c77aa7d822e3ecb11dcaef82 [0,1,1,0,0,0|2,0,0]=4 915 B8R0.9 CC(O)CNC(=O)CO 9be864f31d0f9194e8eb36240c465097 [0,1,1,0,0,0|2,0,0]=4 916 B8R0.9 CC(O)CNC(=O)CS dbff926c910e39aef95fc4a90e7f24a8 [0,1,1,0,0,0|2,0,0]=4 917 B8R0.9 CCC(=O)COC(C)C 5c8d297b0416149f24332452b8f0f1e3 [0,1,1,0,0,0|1,0,0]=3 918 B8R0.9 CCC(=O)NCC(=O)C 5911502c3a8395822fc4c0959647e135 [0,1,1,0,0,0|1,0,1]=4 919 B8R0.9 CCC(=O)NCC(C)C 80d4e4c057e6f7b9eae8a2bfacaea014 [0,1,1,0,0,0|1,0,0]=3 920 B8R0.9 CCC(=O)NCC(C)O a0cefa62fd20423cdc1bf66278a42129 [0,1,1,0,0,0|1,0,0]=3 921 B8R0.9 CCC(=O)NCC(F)F 4cc4f3b720e259ef94d2e9ddeae5379b [0,1,1,0,0,0|2,0,0]=4 922 B8R0.9 CCC(=O)NC[C@@H](C)O a391cc3778995f10350211a29d249a09 [0,1,1,0,0,0|1,0,0]=3 923 B8R0.9 CCC(=O)NC[C@H](C)O 700448fc71267e87914b635955ddeec8 [0,1,1,0,0,0|1,0,0]=3 924 B8R0.9 CCC(C)CNC(=O)C aa3f1455f544ac3656d43724f45ee4b6 [0,1,1,0,0,0|1,0,0]=3 925 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,1,1,0,0,0|1,0,0]=3 926 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,1,1,0,0,0|1,0,0]=3 927 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,1,1,0,0,0|1,0,0]=3 928 B8R0.9 CCC(C)NC[N+](=O)[O-] e9f660b74a6c0107f128f338922566a2 [0,1,1,0,0,0|2,0,0]=4 929 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,1,1,0,0,0|1,0,0]=3 930 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,1,1,0,0,0|1,0,0]=3 931 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,1,1,0,0,0|1,0,0]=3 932 B8R0.9 CCC(C)OCC(=S)N 6b597837cee3e8ac97ffdee12a28c691 [0,1,1,0,0,0|1,1,0]=4 933 B8R0.9 CCC(C)OCS(=O)O 218f2e14527146233901e95c42e5bea0 [0,1,1,0,0,0|2,0,0]=4 934 B8R0.9 CCC(C)OC[N+](=O)[O-] ce29daa7a1531741c15d172651ff45bc [0,1,1,0,0,0|2,0,0]=4 935 B8R0.9 CCC(O)CNC(=O)C 303ca77168267846269f8e2248e6c650 [0,1,1,0,0,0|2,0,0]=4 936 B8R0.9 CCN(C)CCC(=O)C 704b8017c1fe42d466a2c16771fe60b9 [0,1,1,0,0,0|1,0,0]=3 937 B8R0.9 CCN(C)CCC(=O)N 8598f908b554962aaf272d88582a793e [0,1,1,0,0,0|1,0,0]=3 938 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,1,1,0,0,0|1,0,0]=3 939 B8R0.9 CCN(C)CCC(C)C cccf47d146781af2a5619f47aba63cf9 [0,1,1,0,0,0|2,0,0]=4 940 B8R0.9 CCN(C)CCC(C)O 4308bf1a991d7ca66cadc45942e7cdad [0,1,1,0,0,0|2,0,0]=4 941 B8R0.9 CCN(C)CCS(=O)C 181957332795259e7c2d453ef9f3db35 [0,1,1,0,0,0|2,0,0]=4 942 B8R0.9 CCN(C)COC(=O)C 662418b9fd851b02bfa0c21ae20e504d [0,1,1,0,0,0|2,0,0]=4 943 B8R0.9 CCN(C)CSC(=O)N adc277bb406ecaf954503ab4cdfcb5b9 [0,1,1,0,0,0|2,0,0]=4 944 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,1,1,0,0,0|1,0,0]=3 945 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,1,1,0,0,0|1,0,0]=3 946 B8R0.9 CC[C@@H](C)NC[N+](=O)[O-] 196855ed8a578e4d6ce39740ba6a0275 [0,1,1,0,0,0|2,0,0]=4 947 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,1,1,0,0,0|1,0,0]=3 948 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,1,1,0,0,0|1,0,0]=3 949 B8R0.9 CC[C@@H](C)OC[N+](=O)[O-] 3415ab0ca8c4567cbd4a2ab0de4e9f06 [0,1,1,0,0,0|2,0,0]=4 950 B8R0.9 CC[C@@H](O)CNC(=O)C 214f1ff21aca62cdd2be0dae45336745 [0,1,1,0,0,0|2,0,0]=4 951 B8R0.9 CC[C@H](C)CNC(=O)C 7308e3222c110d542936eb43984d990d [0,1,1,0,0,0|1,0,0]=3 952 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,1,1,0,0,0|1,0,0]=3 953 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,1,1,0,0,0|1,0,0]=3 954 B8R0.9 CC[C@H](C)NC[N+](=O)[O-] 235d75636034ba6aeae1eb82d8162dd7 [0,1,1,0,0,0|2,0,0]=4 955 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,1,1,0,0,0|1,0,0]=3 956 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,1,1,0,0,0|1,0,0]=3 957 B8R0.9 CC[C@H](C)OC[N+](=O)[O-] 877aace2ab2b46fdfe559ad10cf92335 [0,1,1,0,0,0|2,0,0]=4 958 B8R0.9 CN(CF)CCC(=O)N 6d094d2271b3869e64c635a327791e7d [0,1,1,0,0,0|2,0,0]=4 959 B8R0.9 CN(CF)CCC(=O)O 2d013e31aee2f0b22eda4a0cee146222 [0,1,1,0,0,0|2,0,0]=4 960 B8R0.9 CN(CO)CCC(=O)N e23409c848954f75cfbaa958caecdeb6 [0,1,1,0,0,0|2,0,0]=4 961 B8R0.9 CN(CO)CCC(=O)O a563a8e06bffade26f5d2de4c2323adb [0,1,1,0,0,0|2,0,0]=4 962 B8R0.9 CNC(=O)CNC(C)C 566e2c52ea2eed119c48dda13ee7cd22 [0,1,1,0,0,0|2,0,0]=4 963 B8R0.9 CNC(=O)COC(C)C ac98fb8d262335081328b24dd3b587d1 [0,1,1,0,0,0|2,0,0]=4 964 B8R0.9 COC(=O)CNC(C)C c3733748a55be9c482138184ed5baa45 [0,1,1,0,0,0|2,0,0]=4 965 B8R0.9 COC(=O)COC(C)C 532fce5a880346bf56d52549b85157a8 [0,1,1,0,0,0|2,0,0]=4 966 B8R0.9 CO[C@@H](C)CNC(=O)C 0cf2684fa855f95ea59e4d00d3adab12 [0,1,1,0,0,0|2,0,0]=4 967 B8R0.9 CO[C@H](C)CNC(=O)C 8d64b64f82d28ad11a8f0edbe07358fd [0,1,1,0,0,0|2,0,0]=4 968 B8R0.9 C[C@@H](CO)NCC(=O)N 1720c78da7cf8f54c6473f0f0ad3915f [0,1,1,0,0,0|2,0,0]=4 969 B8R0.9 C[C@@H](CO)NCC(=O)O a4ded20e76f16f8cb0ed35de8a1798b1 [0,1,1,0,0,0|2,0,0]=4 970 B8R0.9 C[C@@H](O)CNC(=O)CF 6a61f49e9c0d24ab6d4f46deb1461e7d [0,1,1,0,0,0|2,0,0]=4 971 B8R0.9 C[C@@H](O)CNC(=O)CO 9634e7d0b81aeff4d0ebcb0b1d05ff89 [0,1,1,0,0,0|2,0,0]=4 972 B8R0.9 C[C@@H](O)CNC(=O)CS 74f2114c184fa00cea5ec42867e295a6 [0,1,1,0,0,0|2,0,0]=4 973 B8R0.9 C[C@H](CO)NCC(=O)N 280db7eb09d450dda3894db03e34aff2 [0,1,1,0,0,0|2,0,0]=4 974 B8R0.9 C[C@H](CO)NCC(=O)O 3604c50bbfd16fc53504ebc03416b43b [0,1,1,0,0,0|2,0,0]=4 975 B8R0.9 C[C@H](CS)OCC(=O)N 99b35c1160d6521244a3a6571fb38a94 [0,1,1,0,0,0|2,0,0]=4 976 B8R0.9 C[C@H](CS)OCC(=O)O ec11162dd59d106eaabeedeed690abec [0,1,1,0,0,0|2,0,0]=4 977 B8R0.9 C[C@H](O)CNC(=O)CF de054442a5e1e940c151636e21f7cde2 [0,1,1,0,0,0|2,0,0]=4 978 B8R0.9 C[C@H](O)CNC(=O)CO a9cb6b1498a706bccaa6d180a5a461c7 [0,1,1,0,0,0|2,0,0]=4 979 B8R0.9 C[C@H](O)CNC(=O)CS a2cc47a92507f6d2ddfbe5205109d70d [0,1,1,0,0,0|2,0,0]=4 980 B8R0.11 C#CC(CC)OCC=O 6fefb61edd2e8e2475e58f9b91cf6195 [0,1,1,0,0,0|1,0,1]=4 981 B8R0.11 C=CC(CC)OCC=O bcc08209503a879d155ff76cac2817f1 [0,1,1,0,0,0|1,0,1]=4 982 B8R0.11 C=CCNC(CC)CC c87d218a8871388b6a2cdbd13cdd9d88 [0,1,1,0,0,0|2,0,0]=4 983 B8R0.11 C=CCNC(CC)CO b799cd82e5074fd5b37afaf8b4b4c65c [0,1,1,0,0,0|2,0,0]=4 984 B8R0.11 C=CCN[C@@H](CC)CO 6fb5b02744e8b8591abf79841e3e48e4 [0,1,1,0,0,0|2,0,0]=4 985 B8R0.11 C=CCN[C@H](CC)CO 490621c31d43cdcee71b80e0f765530f [0,1,1,0,0,0|2,0,0]=4 986 B8R0.11 C=CCOC(CC)CC 1834abc88f7b6c957a347a605ec7ae2d [0,1,1,0,0,0|2,0,0]=4 987 B8R0.11 CCC(C#N)OCC=O 251eab7b5166001569a0759e3e518cd8 [0,1,1,0,0,0|1,0,1]=4 988 B8R0.11 CCC(CC)CNC=O 0da79cf943d9a8666a9700a2e2e9d7c2 [0,1,1,0,0,0|1,0,0]=3 989 B8R0.11 CCC(CC)NCC=O 66280cf687d8bf89fcc5bb7b86c23426 [0,1,1,0,0,0|1,0,0]=3 990 B8R0.11 CCC(CC)OCC=O f1bfaa22ce246d2b20a4566127462c21 [0,1,1,0,0,0|1,0,0]=3 991 B8R0.11 CCC(CO)CNC=O c5363c7642167dc42bef36aeb0412d90 [0,1,1,0,0,0|1,0,0]=3 992 B8R0.11 CCC(CO)NCC=O 36b8c180c423d05a287bbf37daf06e14 [0,1,1,0,0,0|1,0,0]=3 993 B8R0.11 CCCCN(C=O)CC cdc74e35a30bfd5fd030759b798d1154 [0,1,1,0,0,0|1,0,0]=3 994 B8R0.11 CCCCN(CC)CC 799082ccac5d401a30542c693df9a037 [0,1,1,0,0,0|2,0,0]=4 995 B8R0.11 CCCCN(CC)CF 191f83d5d3d3672b3280b00206bb418d [0,1,1,0,0,0|2,0,0]=4 996 B8R0.11 CCCCN(CC)CO 357cfc04e742bfe2a111c827fc08c91d [0,1,1,0,0,0|1,0,1]=4 997 B8R0.11 CCCNC(C=O)CC 8b5e0e2daf5f0f35115de8e725402fa5 [0,1,1,0,0,0|1,0,1]=4 998 B8R0.11 CCCOC(C=O)CC 5c5bd3caba387b7aed9948606b55ead9 [0,1,1,0,0,0|1,0,1]=4 999 B8R0.11 CCN(C=O)CCCO 1400c17018da6a8c616cf48985189e21 [0,1,1,0,0,0|2,0,0]=4 1000 B8R0.11 CCN(C=O)CCOC 57d3ddcf433d03a3e450ecf7301ce02d [0,1,1,0,0,0|2,0,0]=4 1001 B8R0.11 CC[C@@H](CO)NCC=O 10f83f8629097d9496f09b4be9046d3f [0,1,1,0,0,0|1,0,0]=3 1002 B8R0.11 CC[C@H](CO)NCC=O e160cd29fcd44c5f7399de9cf9ca258f [0,1,1,0,0,0|1,0,0]=3 1003 B8R0.11 COC(CNC=O)OC 0c38a158842ed7f3880c5c5bbd35734f [0,1,1,0,0,0|2,0,0]=4 1004 B8R0.11 CO[C@@H](CO)CNC=O 8a7cda371cd7c58b3d3d3a1f3b98c540 [0,1,1,0,0,0|2,0,0]=4 1005 B8R0.11 O=CCNC(CO)CO 366e76df9a117064ff74d57082453e8a [0,1,1,0,0,0|2,0,0]=4 1006 B8R0.11 O=CCOC(CBr)CBr 98951f7108d1d270a02364cbe64e0bfa [0,1,1,0,0,0|2,0,0]=4 1007 B8R0.11 O=CCOC(CCl)CBr 32668120dbbb2b30f0fac4c621bfe84c [0,1,1,0,0,0|2,0,0]=4 1008 B8R0.11 O=CCOC(CCl)CCl 9af1926b15711c90a5cbe73c1c70373b [0,1,1,0,0,0|2,0,0]=4 1009 B8R0.11 O=CCOC(CF)CF 7a663877f219a92589d4f369d4b529d2 [0,1,1,0,0,0|2,0,0]=4 1010 B8R0.11 O=CCO[C@@H](CCl)CI 16351a133a0aa4427cc2649002e53394 [0,1,1,0,0,0|2,0,0]=4 1011 B8R0.11 O=CCO[C@H](CCl)CI d50fd553f4a65d74faeceda4be82465a [0,1,1,0,0,0|2,0,0]=4 1012 B8R0.11 O=CNCC(CO)CO 5dab1757f6920def9532ee107cc1510d [0,1,1,0,0,0|2,0,0]=4 1013 B8R0.19 C=C(C=O)OC(C)CC c5f7d9036a8fdea0d25979e46bb39add [0,1,1,0,0,0|1,0,1]=4 1014 B8R0.19 C=C(CC)CN(C)CC a5edac56bd516c3e08abe80274b2ef4e [0,1,1,0,0,0|2,0,0]=4 1015 B8R0.19 C=CC(C)NC(C)CC e9ebdce484176221c839f82d3478dfcf [0,1,1,0,0,0|2,0,0]=4 1016 B8R0.19 C=CC(C)N[C@@H](C)CC 2f0eb31eec332386adfd7c08306c8c8e [0,1,1,0,0,0|2,0,0]=4 1017 B8R0.19 C=CC(C)N[C@H](C)CC 89c11e3a57bbd19c7277e9fb736a8310 [0,1,1,0,0,0|2,0,0]=4 1018 B8R0.19 C=CC(C)OC(C)CC bc030ee1d54310e4e42e3ca28b627322 [0,1,1,0,0,0|2,0,0]=4 1019 B8R0.19 C=CC(C)O[C@@H](C)CC 3c69a31efdac74917d5815feffec4931 [0,1,1,0,0,0|2,0,0]=4 1020 B8R0.19 C=CC(C)O[C@H](C)CC 23874840195e0ea82a3608089cd552e1 [0,1,1,0,0,0|2,0,0]=4 1021 B8R0.19 C=C[C@H](C)OC(C)CC 8317ad39d31f9c390bbb41cff204bc88 [0,1,1,0,0,0|2,0,0]=4 1022 B8R0.19 CC(C=O)NC(C)CO 33e7f07b39146db1e5a0ba16f083ffe9 [0,1,1,0,0,0|2,0,0]=4 1023 B8R0.19 CC(C=O)N[C@@H](C)CO b551d034652d5a0aade3db27ae92c027 [0,1,1,0,0,0|2,0,0]=4 1024 B8R0.19 CC(C=O)N[C@H](C)CO d056900d3448704df85098fe9630c446 [0,1,1,0,0,0|2,0,0]=4 1025 B8R0.19 CC(C=O)OC(C)CF dd1260e813ad128cb1339d09b832705a [0,1,1,0,0,0|2,0,0]=4 1026 B8R0.19 CC(C=O)OC(C)CS 773a75b997229db7d6efcc42b9c60d2d [0,1,1,0,0,0|2,0,0]=4 1027 B8R0.19 CC(C=O)O[C@H](C)CS db7e1cf4f367eba88f034becbe252a6b [0,1,1,0,0,0|2,0,0]=4 1028 B8R0.19 CC(CF)O[C@H](C)C=O dff28bb67fd8d3181563ff4952bada48 [0,1,1,0,0,0|2,0,0]=4 1029 B8R0.19 CC(CO)CN(C)C=O 1651f97b326ac36e19f9ffe26a720260 [0,1,1,0,0,0|2,0,0]=4 1030 B8R0.19 CC(CO)N[C@H](C)C=O f1fdc52cb9f42032fc71654c1bb8453d [0,1,1,0,0,0|2,0,0]=4 1031 B8R0.19 CC(CS)O[C@H](C)C=O 318a2971080d0243ebb32baf94adf9fb [0,1,1,0,0,0|2,0,0]=4 1032 B8R0.19 CCC(=O)CN(C)CC 5ff470863ab78226aff558b26acaa6bb [0,1,1,0,0,0|1,0,0]=3 1033 B8R0.19 CCC(=O)NC(C)CC 276f63d9911911bef583b63399d6babf [0,1,1,0,0,0|1,0,0]=3 1034 B8R0.19 CCC(=O)NC(C)CO 31f73ee0dabaaa5a17015c929f45f2fd [0,1,1,0,0,0|2,0,0]=4 1035 B8R0.19 CCC(=O)N[C@@H](C)CC 5015556f6119dada9330f459ef8b4a95 [0,1,1,0,0,0|1,0,0]=3 1036 B8R0.19 CCC(=O)N[C@@H](C)CO a3bcc6db0615cc40ae6703cd20d3dc45 [0,1,1,0,0,0|2,0,0]=4 1037 B8R0.19 CCC(=O)N[C@H](C)CC 0aeecce7ca86d9a6cf7c4003d6b8deb5 [0,1,1,0,0,0|1,0,0]=3 1038 B8R0.19 CCC(=O)N[C@H](C)CO 3449d5b097ace6785d86df28155e11e4 [0,1,1,0,0,0|2,0,0]=4 1039 B8R0.19 CCC(C)CN(C)CC c97a2f07dd5fecc0e91af558e8842f65 [0,1,1,0,0,0|2,0,0]=4 1040 B8R0.19 CCC(C)NC(=O)C=O d87e951102d767f8f5aa3b902ef92349 [0,1,1,0,0,0|1,0,1]=4 1041 B8R0.19 CCC(C)NC(=O)CF be99e999222b335d1cb75f36b6d9cd45 [0,1,1,0,0,0|2,0,0]=4 1042 B8R0.19 CCC(C)NC(=O)CO 33a44afa4449469b04b268f3719a3e59 [0,1,1,0,0,0|2,0,0]=4 1043 B8R0.19 CCC(C)NC(=O)CS 2bbecd1472ce4a0c07af9c3693119c31 [0,1,1,0,0,0|2,0,0]=4 1044 B8R0.19 CCC(C)NC(C)C=O 610b4a8ffb3807f31c76d2eb3d0b9780 [0,1,1,0,0,0|1,0,0]=3 1045 B8R0.19 CCC(C)N[C@H](C)C=O bcb94071dd29361c15a01b7c88596d57 [0,1,1,0,0,0|1,0,0]=3 1046 B8R0.19 CCC(C)OC(C)C=O eff298f26322e5014e51cb58e37ec95a [0,1,1,0,0,0|1,0,0]=3 1047 B8R0.19 CCC(C)O[C@H](C)C=O 8b0db61f6f95e4e0ee500a8429036305 [0,1,1,0,0,0|1,0,0]=3 1048 B8R0.19 CCC(O)CN(C)C=O a5ca11d122e7bb722666ea345a9e6e66 [0,1,1,0,0,0|2,0,0]=4 1049 B8R0.19 CCC(O)CN(C)CC 05ba2ce1cbf52722b11091eb58aa8124 [0,1,1,0,0,0|2,0,0]=4 1050 B8R0.19 CCN(C)CC(=O)CO cfedb43af4bce24aac2f06a8534d30e0 [0,1,1,0,0,0|2,0,0]=4 1051 B8R0.19 CCN(C)CC(=O)NC 8baa1dde5886fc0147e3d3c2a9f34306 [0,1,1,0,0,0|2,0,0]=4 1052 B8R0.19 CCN(C)CC(=O)OC dc6eaad4d2fa330c4e11c97ae3abe5a3 [0,1,1,0,0,0|2,0,0]=4 1053 B8R0.19 CC[C@@H](C)CN(C)CC c7c9b5c0068d5d12f050f43bd2f96d97 [0,1,1,0,0,0|2,0,0]=4 1054 B8R0.19 CC[C@@H](C)NC(=O)C=O 21ac8ac32e78a362dc133e8e3bbda567 [0,1,1,0,0,0|1,0,1]=4 1055 B8R0.19 CC[C@@H](C)NC(=O)CF 972ccf96eab46daa18ae78e952074e33 [0,1,1,0,0,0|2,0,0]=4 1056 B8R0.19 CC[C@@H](C)NC(=O)CO 102bc53795a33daa61b0e6c2cdbc40e6 [0,1,1,0,0,0|2,0,0]=4 1057 B8R0.19 CC[C@@H](C)NC(=O)CS 6576ffdd87c3ad0b66c846698b8c9218 [0,1,1,0,0,0|2,0,0]=4 1058 B8R0.19 CC[C@@H](C)NC(C)C=O abf2de4d64d8367bf152827fa19c8747 [0,1,1,0,0,0|1,0,0]=3 1059 B8R0.19 CC[C@@H](C)N[C@H](C)C=O 3342a1648b9263897ca0c454c43aa5e6 [0,1,1,0,0,0|1,0,0]=3 1060 B8R0.19 CC[C@@H](C)OC(C)C=O 665da496f78ef9cbb93bd2fbabb6c4bb [0,1,1,0,0,0|1,0,0]=3 1061 B8R0.19 CC[C@@H](C)O[C@H](C)C=O 89b33ea7698450df463669e4946abea4 [0,1,1,0,0,0|1,0,0]=3 1062 B8R0.19 CC[C@H](C)CN(C)CC a2f007d5d2fc9c89853c614ebf5a2522 [0,1,1,0,0,0|2,0,0]=4 1063 B8R0.19 CC[C@H](C)NC(=O)C=O e638670223a406eb6167bccd4c1dfde1 [0,1,1,0,0,0|1,0,1]=4 1064 B8R0.19 CC[C@H](C)NC(=O)CF 4effc7db6392db0aa027693c9704097d [0,1,1,0,0,0|2,0,0]=4 1065 B8R0.19 CC[C@H](C)NC(=O)CO 7070ce3ef500a05442ee4538ea055e46 [0,1,1,0,0,0|2,0,0]=4 1066 B8R0.19 CC[C@H](C)NC(=O)CS 035bd81fae7cc99474ceaac0a841b71d [0,1,1,0,0,0|2,0,0]=4 1067 B8R0.19 CC[C@H](C)NC(C)C=O 018c527e97f5ffc308f69037c7d3a009 [0,1,1,0,0,0|1,0,0]=3 1068 B8R0.19 CC[C@H](C)N[C@H](C)C=O d64bf9f3a5fe53c581afe2fb82ccfd54 [0,1,1,0,0,0|1,0,0]=3 1069 B8R0.19 CC[C@H](C)OC(C)C=O 0ca2a7fbf13c00f26ded9cafaaef3a1d [0,1,1,0,0,0|1,0,0]=3 1070 B8R0.19 CC[C@H](C)O[C@H](C)C=O 65f006b95602312ad77964961ea5b1e5 [0,1,1,0,0,0|1,0,0]=3 1071 B8R0.19 C[C@H](C=O)N[C@@H](C)CO 6a73e6801be902d0186bda4c7101036d [0,1,1,0,0,0|2,0,0]=4 1072 B8R0.19 C[C@H](C=O)N[C@H](C)CO 0187f83f0b42c2fe626fa88a206aa3ec [0,1,1,0,0,0|2,0,0]=4 1073 B8R0.19 C[C@H](C=O)O[C@H](C)CS af72370034f51011307ce75fb53579bd [0,1,1,0,0,0|2,0,0]=4 1074 B8R0.25 C=CCNC(C)(C)CC bfbf2a024d31f802cc5c9cc651f4c494 [0,1,1,0,0,0|2,0,0]=4 1075 B8R0.25 CC(C)(CF)CNC=O 7ddc66f6fc58f0c22186ae6faa7c4403 [0,1,1,0,0,0|2,0,0]=4 1076 B8R0.25 CC(C)(CF)NCC=O e5b32dafbddecefbf66d873fb4b082ed [0,1,1,0,0,0|2,0,0]=4 1077 B8R0.25 CC(C)(CO)CNC=O eb6bebe29368584330c3a398b8ebddbc [0,1,1,0,0,0|2,0,0]=4 1078 B8R0.25 CC(C)(CO)NCC=O e943279e878f7a41a900e438e4df9f58 [0,1,1,0,0,0|2,0,0]=4 1079 B8R0.25 CCC(C)(C)CNC=O bfe9719bdf7704885d6bfbc86c30f02f [0,1,1,0,0,0|1,0,0]=3 1080 B8R0.25 CCC(C)(C)NCC=O aa9ffe26ec7f03a9fb85bbb0f3a65039 [0,1,1,0,0,0|1,0,0]=3 1081 B8R0.25 CCC(C)(O)CNC=O 9e4389f6bd3420fa20ce5c3bc35a06da [0,1,1,0,0,0|1,0,0]=3 1082 B8R0.25 COC(C)(C)CNC=O accad4ec9dde386589aca608b0787b60 [0,1,1,0,0,0|2,0,0]=4 1083 B8R0.23 C=C(C)CN(C)C(C)C 5ce3bf8335906065652aa3e2b299f4f5 [0,1,1,0,0,0|2,0,0]=4 1084 B8R0.23 CC(=O)C(C)OC(C)C 2d86abe06727762a40b9ab2fefeb12d2 [0,1,1,0,0,0|1,0,0]=3 1085 B8R0.23 CC(=O)N(C)CC(C)C 89cec52088ed29050ddede06aaad4a16 [0,1,1,0,0,0|1,0,0]=3 1086 B8R0.23 CC(=O)N(C)CC(C)O 4e9ef38fdc27d4895833669b87ebf855 [0,1,1,0,0,0|2,0,0]=4 1087 B8R0.23 CC(=O)N(C)C[C@H](C)O 021150eee8136a4b9cf5a9a8729a45c5 [0,1,1,0,0,0|2,0,0]=4 1088 B8R0.23 CC(=O)NC(C)C(C)C 44e61c71c404e93b61e4ebb2d17acd25 [0,1,1,0,0,0|1,0,0]=3 1089 B8R0.23 CC(=O)NC(C)C(C)O 82d78b22fd9c1b1cb9a6f73c5b23c29f [0,1,1,0,0,0|2,0,0]=4 1090 B8R0.23 CC(=O)N[C@@H](C)C(C)C 020b2d58d09d222117d5a013059e1c42 [0,1,1,0,0,0|1,0,0]=3 1091 B8R0.23 CC(=O)N[C@H](C)C(C)C 1a8a59449f9523fa08b3f0d029907e07 [0,1,1,0,0,0|1,0,0]=3 1092 B8R0.23 CC(C)N(C)CC(=O)N 40fedc251db3e73f4c6c403ff754fd20 [0,1,1,0,0,0|2,0,0]=4 1093 B8R0.23 CC(C)N(C)CC(=O)O 402f1d7c3b958af1fceb64bdcde4405c [0,1,1,0,0,0|2,0,0]=4 1094 B8R0.23 CC(C)NC(C)C(=O)N a5bc7ca7b26f70e25af65a6a1a9f3a6a [0,1,1,0,0,0|2,0,0]=4 1095 B8R0.23 CC(C)NC(C)C(=O)O 14fb43a096987787a4c4cfde0de411d4 [0,1,1,0,0,0|2,0,0]=4 1096 B8R0.23 CC(C)NC(O)C(=O)O 9854a2bbdccc28b8651cc97fd5606c53 [0,1,1,0,0,0|2,0,0]=4 1097 B8R0.23 CC(C)N[C@@H](C)C(=O)N 5f6838b5769e3be13957b346a9b1c5a9 [0,1,1,0,0,0|2,0,0]=4 1098 B8R0.23 CC(C)N[C@@H](C)C(=O)O 97090174d192ee499ea4beaa2fe31161 [0,1,1,0,0,0|2,0,0]=4 1099 B8R0.23 CC(C)N[C@H](C)C(=O)N 218299f571bd8ab6e55ebde7f90f3dc6 [0,1,1,0,0,0|2,0,0]=4 1100 B8R0.23 CC(C)N[C@H](C)C(=O)O 1a6c2905adf438d6c173d7efe8c0cadc [0,1,1,0,0,0|2,0,0]=4 1101 B8R0.23 CC(C)OC(C)C(=O)N 3cee39f49921ab19917bac674ad05970 [0,1,1,0,0,0|2,0,0]=4 1102 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,1,1,0,0,0|2,0,0]=4 1103 B8R0.23 CC(C)OC(F)C(=O)N 4e500a655b0251a68623c9a9bac567cd [0,1,1,0,0,0|2,0,0]=4 1104 B8R0.23 CC(C)O[C@@H](C)C(=O)N 57a65b88062516ea8512ca985e4b20b1 [0,1,1,0,0,0|2,0,0]=4 1105 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,1,1,0,0,0|2,0,0]=4 1106 B8R0.23 CC(C)O[C@H](C)C(=O)N 15e236e43a73c1d83142b60899c44aff [0,1,1,0,0,0|2,0,0]=4 1107 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,1,1,0,0,0|2,0,0]=4 1108 B8R0.29 C=C(C)CNC(C)(C)C b99c45fd81c788cbba88aea38bfb17b6 [0,1,1,0,0,0|2,0,0]=4 1109 B8R0.29 CC(=O)NCC(C)(C)C 9462e7ac263ac589a01977b5f7e527a7 [0,1,1,0,0,0|1,0,0]=3 1110 B8R0.29 CC(=O)NCC(C)(C)O ac59c5875c8df765f15b4c858063fbc9 [0,1,1,0,0,0|1,0,0]=3 1111 B8R0.29 CC(=O)NCC(C)(F)F 85b59edaed57293b7ea10c77927ba201 [0,1,1,0,0,0|2,0,0]=4 1112 B8R0.29 CC(C)(C)NCC(=O)N bc7ea50a25eec83821fcbddcdcab7596 [0,1,1,0,0,0|2,0,0]=4 1113 B8R0.29 CC(C)(C)NCC(=O)O 139b26a0be92451287fa1082e3371d98 [0,1,1,0,0,0|2,0,0]=4 1114 B8R0.29 CC(C)OCS(=O)(=O)C ff439a519afb291693179cbb76e98ea7 [0,1,1,0,0,0|2,0,0]=4 1115 B8R1.2 CCN1CC=CCC1 0dfc6382e2eb71bb203dc8f8c11fc3a7 [1,1,0,0,0,0|1,0,1]=4 1116 B8R1.2 CCN1CCOCC1 fb923a7109dd2702dd7751939694bf0a [1,1,0,0,0,0|2,0,0]=4 1117 B8R1.2 CCN1CCSCC1 1b9658d9d2dd04d5c3441497757b0605 [1,1,0,0,0,0|2,0,0]=4 1118 B8R1.2 FCN1CC=CCC1 401ca9aa2f450f72776a775dc9b905eb [1,1,0,0,0,0|1,0,1]=4 1119 B8R1.2 FCN1CCOCC1 af38a82d0a4a474edc4ef56a4d84bb37 [1,1,0,0,0,0|2,0,0]=4 1120 B8R1.2 FCN1CCSCC1 3fd57c8b0b453362bf0663a583869566 [1,1,0,0,0,0|2,0,0]=4 1121 B8R1.2 O=CN1CCCOC1 f5641b081c81baeb630a926cccc2dad9 [1,1,0,0,0,0|2,0,0]=4 1122 B8R1.2 O=CN1CCCSC1 02efafcaba189386286d3d47585eb111 [1,1,0,0,0,0|2,0,0]=4 1123 B8R1.2 O=CN1CCOCC1 477872453b181b061009dc05da1525e4 [1,1,0,0,0,0|2,0,0]=4 1124 B8R1.2 O=CN1CCSCC1 ef4056096863dc4bdb0fd1df8e6f14a0 [1,1,0,0,0,0|2,0,0]=4 1125 B8R1.2 OCN1CC=CCC1 62ece6a5f9d8ed840fd2002de05e26aa [1,1,0,0,0,0|1,0,1]=4 1126 B8R1.2 OCN1CCOCC1 3c0de8397d4dab0c1377ef06b9b6455d [1,1,0,0,0,0|2,0,0]=4 1127 B8R1.2 OCN1CCSCC1 4d391d2b8bcebf873f589c97ea63c0e7 [1,1,0,0,0,0|2,0,0]=4 1128 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [0,1,0,0,1,0|1,0,0]=3 1129 B8R1.1 CC1CCN(C1)CF da0970cce8482326171d63e42120fe9a [0,1,0,0,1,0|2,0,0]=4 1130 B8R1.1 CC1CCN(C1)CO 35ec454f519cadc0e2b5b2b07f513132 [0,1,0,0,1,0|1,0,1]=4 1131 B8R1.1 CCN1CCC(C1)C c5b0c6261615cc6c7323d9c48f305770 [0,1,0,0,1,0|2,0,0]=4 1132 B8R1.1 CCN1CNC(=O)C1 58009d6dfded7497e427ac45a5ff5413 [0,1,0,0,1,0|2,0,0]=4 1133 B8R1.1 CN1CCN(C1)C=O 8b7db25ff5974733ece4d3fc3a4817d7 [0,1,0,0,1,0|2,0,0]=4 1134 B8R1.1 O=C1CN(CN1)CF f13f56dc757cd85272f424d9ac53fbce [0,1,0,0,1,0|2,0,0]=4 1135 B8R1.1 O=C1CN(CN1)CO e561a9f6a1ffe109b2b8eed70763223f [0,1,0,0,1,0|2,0,0]=4 1136 B8R1.1 O=CN1CCC(C1)F 96284cdc191c7cba11f6a402b8eb117c [0,1,0,0,1,0|2,0,0]=4 1137 B8R1.1 O=CN1CCC(C1)O 36bb47eb3389f04fbd153dabfa4995ad [0,1,0,0,1,0|2,0,0]=4 1138 B8R1.1 O=CN1CC[C@@H](C1)F 008cec7e125285aba69bdec89e8d8fbf [0,1,0,0,1,0|2,0,0]=4 1139 B8R1.1 O=CN1CC[C@@H](C1)O 75171cfcb992bb0c611e45c07ca0c61c [0,1,0,0,1,0|2,0,0]=4 1140 B8R1.1 O=CN1CC[C@H](C1)F 27a4a903f78fd10dcf90e00458f77a70 [0,1,0,0,1,0|2,0,0]=4 1141 B8R1.1 O=CN1CC[C@H](C1)O 4d35040bdf5a1607b14717edf31c1dc0 [0,1,0,0,1,0|2,0,0]=4 1142 B10R1.197 CC1CCCN(CC1)C=O 377760f9fe9460ff48ba55e169ecc323 [0,1,0,0,0,1|1,0,0]=3 1143 B10R1.197 CC1CCCN(CC1)CF c69faa64d9e9e27443cd80ee71fbc6a0 [0,1,0,0,0,1|2,0,0]=4 1144 B10R1.197 CC1CCCN(CC1)CO 2fb530ce5b31dd0445e89e58ba92e4c5 [0,1,0,0,0,1|1,0,1]=4 1145 B10R1.197 CCN1CCCC(=O)CC1 43ab575eb7387d1676c90286c1ea0c74 [0,1,0,0,0,1|1,0,0]=3 1146 B10R1.197 CCN1CCCC(CC1)C 9d7cc09ad8c203bd615d3666ca926cd9 [0,1,0,0,0,1|2,0,0]=4 1147 B10R1.197 CCN1CCNC(=O)CC1 c00fc63757fc4a565477a63f60a2605b [0,1,0,0,0,1|1,0,0]=3 1148 B10R1.197 CN1CCCN(CC1)C=O dae680ef23b42ac483237fa402772a79 [0,1,0,0,0,1|2,0,0]=4 1149 B10R1.197 O=C1CCCN(CC1)CF 7556829700c0b08f447855e4809ddc05 [0,1,0,0,0,1|1,0,0]=3 1150 B10R1.197 O=C1CCCN(CC1)CO 0872ce793b88f95873340dc0aee0cac1 [0,1,0,0,0,1|1,0,0]=3 1151 B10R1.197 O=C1CCN(CCN1)CF 8cdda5f278ebe2a58c1637f4b1f87593 [0,1,0,0,0,1|1,0,0]=3 1152 B10R1.197 O=C1CCN(CCN1)CO 2c44e19b247ace033824833e187990ab [0,1,0,0,0,1|1,0,0]=3 1153 B10R1.197 O=CN1CCCC(=O)CC1 0fc8b2e662c190f08a028f30c6fa6c0e [0,1,0,0,0,1|1,0,1]=4 1154 B10R1.197 O=CN1CCCC(CC1)F 063cb542d0437eea52ad7ed38fb65de0 [0,1,0,0,0,1|2,0,0]=4 1155 B10R1.197 O=CN1CCCC(CC1)O cb48dbbabe7a1d17ce4f711ff2fc4ea5 [0,1,0,0,0,1|2,0,0]=4 1156 B10R1.197 O=CN1CCC[C@@H](CC1)O f1679d0bd86c075edcc421e88fc1e969 [0,1,0,0,0,1|2,0,0]=4 1157 B10R1.197 O=CN1CCC[C@H](CC1)O 52e26b23698adace6455f16a782f5f0f [0,1,0,0,0,1|2,0,0]=4 1158 B10R1.197 O=CN1CCNC(=O)CC1 7a42fb3409f14fb06873d872882bc40f [0,1,0,0,0,1|1,0,1]=4 1159 B10R1.1 C#CCN1CCC(CC1)C b80b3cdff6861d7eee671bc18b229685 [0,2,0,0,0,0|2,0,0]=4 1160 B10R1.1 C=CCN1CCC(CC1)C b09c8e1cd9321823800b8bcff48a78c0 [0,2,0,0,0,0|2,0,0]=4 1161 B10R1.1 CC1CCC(CC1)NC#N e7033b439ae268ecd8ce5e001ca2219d [0,2,0,0,0,0|1,0,1]=4 1162 B10R1.1 CC1CCC(CC1)NC=O 49445304b581de601fa04023a9c9fe9e [0,2,0,0,0,0|0,0,1]=3 1163 B10R1.1 CC1CCC(CC1)NCF 17f37a7155d16c0c1c3d7ac12c8797f6 [0,2,0,0,0,0|1,0,1]=4 1164 B10R1.1 CC1CCC(CC1)NCO 426415868b2c2c9fa56f1127e80d47a5 [0,2,0,0,0,0|0,0,2]=4 1165 B10R1.1 CC1CCC(CC1)OCF 59c30a693f8424ae11ed3fbf2246df0a [0,2,0,0,0,0|0,0,2]=4 1166 B10R1.1 CC1CCN(CC1)CC#N f9e7c3f364ea304263e5d97723db4993 [0,2,0,0,0,0|2,0,0]=4 1167 B10R1.1 CC1CCN(CC1)CC=O b2df6192e65646884c09da6cd5a6a8ec [0,2,0,0,0,0|1,0,0]=3 1168 B10R1.1 CC1CCN(CC1)CCF 91a43bdfc7e30274ff12371c255e75d1 [0,2,0,0,0,0|2,0,0]=4 1169 B10R1.1 CC1CCN(CC1)CCO 052e6f76f8f58f04279c6473324515db [0,2,0,0,0,0|1,0,1]=4 1170 B10R1.1 CC1CCN(CC1)CCS a2dd53e264ef87be06af1d77d55d00e0 [0,2,0,0,0,0|1,1,0]=4 1171 B10R1.1 CCCN1CCC(CC1)C 86d98128819ac83d185f65fd41c22438 [0,2,0,0,0,0|2,0,0]=4 1172 B10R1.1 CCNC1CCC(=O)NC1 e3f14e328a85b0d8d9acfadf4252f173 [0,2,0,0,0,0|1,0,0]=3 1173 B10R1.1 CCNC1CCC(CC1)C de7300226dedfd33c02f3e12ca83a3d1 [0,2,0,0,0,0|1,0,1]=4 1174 B10R1.1 CCNC1CCC(CC1)Cl 86055f4cfb332b1125998384e9ab2126 [0,2,0,0,0,0|1,0,1]=4 1175 B10R1.1 CCNC1CCC(CC1)O 11bdf7230bb0541641a7906c8f035576 [0,2,0,0,0,0|0,0,2]=4 1176 B10R1.1 CCNC1CCN(CC1)C 3eacdaa7decd599b26af444786340f03 [0,2,0,0,0,0|2,0,0]=4 1177 B10R1.1 CCN[C@@H]1CCC(=O)NC1 62cc5a0293c2362f08dace0840c8347c [0,2,0,0,0,0|1,0,0]=3 1178 B10R1.1 CCN[C@H]1CCC(=O)NC1 05f5c81c267626e2d5daa14fa8ca4b88 [0,2,0,0,0,0|1,0,0]=3 1179 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 4f1d6c52a738c3963ac4210b58ee5190 [0,2,0,0,0,0|1,0,1]=4 1180 B10R1.1 CCN[C@H]1CC[C@@H](CC1)Cl db355985b8c97f7ca2c0f7b25d4caf12 [0,2,0,0,0,0|1,0,1]=4 1181 B10R1.1 CCN[C@H]1CC[C@@H](CC1)O 6d82ef141c9f9752d1b11022331d4ce8 [0,2,0,0,0,0|0,0,2]=4 1182 B10R1.1 CCN[C@H]1CC[C@H](CC1)C 50d90f0b7ff20436b039b5be5ff13a96 [0,2,0,0,0,0|1,0,1]=4 1183 B10R1.1 CCN[C@H]1CC[C@H](CC1)Cl 4ce609e3c37a5dd2184de2559003c29d [0,2,0,0,0,0|1,0,1]=4 1184 B10R1.1 CCN[C@H]1CC[C@H](CC1)O 37daf13a5b58b4eebe6135622f53f3d6 [0,2,0,0,0,0|0,0,2]=4 1185 B10R1.1 CCOC1CC=C(CC1)Br 2979f34f4d6e5e64025f902befb745a7 [0,2,0,0,0,0|1,0,1]=4 1186 B10R1.1 CCOC1CCC(=O)CC1 d1d3f9318a82ae97f7b95eef0a713ebb [0,2,0,0,0,0|0,0,0]=2 1187 B10R1.1 CCOC1CCC(=O)NC1 3dfc00b9b98d49ff67cc2f754b359401 [0,2,0,0,0,0|1,0,0]=3 1188 B10R1.1 CCOC1CCC(=O)OC1 e60ba9c5652dbbf54ee2fca7f59aa295 [0,2,0,0,0,0|1,0,0]=3 1189 B10R1.1 CCOC1CCC(CC1)C 473f5a0d2c69bd7a3c2299bc62acf63e [0,2,0,0,0,0|0,0,2]=4 1190 B10R1.1 CCOC1CCC(CC1)F c2dd9c7c48f4d523cfb6c31e70a39cdd [0,2,0,0,0,0|1,0,1]=4 1191 B10R1.1 CCOC1CCN(CC1)C 27bf5d11a0ee5fdc68f22bc684921911 [0,2,0,0,0,0|2,0,0]=4 1192 B10R1.1 CCOC1CNC(=O)NC1 243e2ac409f0ac43670e4ddca28266e9 [0,2,0,0,0,0|2,0,0]=4 1193 B10R1.1 CCO[C@@H]1CCC(=O)NC1 6cec2402da889a24cc73ec51bdffdb78 [0,2,0,0,0,0|1,0,0]=3 1194 B10R1.1 CCO[C@H]1CCC(=O)NC1 c59ded9c23d8bfa6dbc41b3fef3ebf77 [0,2,0,0,0,0|1,0,0]=3 1195 B10R1.1 CCO[C@H]1CC[C@@H](CC1)C 4711e0a471a7d529886bdafcaa020714 [0,2,0,0,0,0|0,0,2]=4 1196 B10R1.1 CCO[C@H]1CC[C@H](CC1)C f034779810f8745f23ae348c0c9216bc [0,2,0,0,0,0|0,0,2]=4 1197 B10R1.1 CN1CCC(CC1)NC=O 3a9a1d7b333041580d4d6b6956c49e5f [0,2,0,0,0,0|1,0,1]=4 1198 B10R1.1 CN1CCC(CC1)NCF 14066c28d81296527869d8a47c499229 [0,2,0,0,0,0|2,0,0]=4 1199 B10R1.1 CN1CCC(CC1)NCO 26876141e7f61cea17b8322ba3558d82 [0,2,0,0,0,0|2,0,0]=4 1200 B10R1.1 CN1CCC(CC1)OCF db9e1c7d7d177774fc6e6e40589e2d8e [0,2,0,0,0,0|2,0,0]=4 1201 B10R1.1 CN1CCN(CC1)CC=O 6ce320fae7edeba5d4982a7dfb933a43 [0,2,0,0,0,0|2,0,0]=4 1202 B10R1.1 COCN1CCC(CC1)C e5eb5643486bd857f647ba08048db8dc [0,2,0,0,0,0|1,0,1]=4 1203 B10R1.1 CSCN1CCC(CC1)C 2b96ed5854587b3df496a08656131fbf [0,2,0,0,0,0|1,1,0]=4 1204 B10R1.1 C[C@H]1CC[C@@H](CC1)NC=O 7b9d3006b1003937c69a824430f79b59 [0,2,0,0,0,0|0,0,1]=3 1205 B10R1.1 C[C@H]1CC[C@@H](CC1)NCF cde313d4d8a2cd37b50372e98c941dea [0,2,0,0,0,0|1,0,1]=4 1206 B10R1.1 C[C@H]1CC[C@@H](CC1)NCO 69f38b9fd93183ffaab557845fb81bbb [0,2,0,0,0,0|0,0,2]=4 1207 B10R1.1 C[C@H]1CC[C@@H](CC1)OCF 2bf0135e0122aa370cd3624e21ae3991 [0,2,0,0,0,0|0,0,2]=4 1208 B10R1.1 C[C@H]1CC[C@H](CC1)NC=O 2e46076871a33ec81e210eee2940299a [0,2,0,0,0,0|0,0,1]=3 1209 B10R1.1 C[C@H]1CC[C@H](CC1)NCF 7c43f8419b274922a2f3a2c6762e3d72 [0,2,0,0,0,0|1,0,1]=4 1210 B10R1.1 C[C@H]1CC[C@H](CC1)NCO f2fee23e60514324fe5eb1f96f71f1a9 [0,2,0,0,0,0|0,0,2]=4 1211 B10R1.1 C[C@H]1CC[C@H](CC1)OCF abd1e41737c4cb5bef2fc9937446160d [0,2,0,0,0,0|0,0,2]=4 1212 B10R1.1 FCNC1CCC(CC1)Cl 13a9cd78fc6980f7f98c37ac88fd9090 [0,2,0,0,0,0|1,0,1]=4 1213 B10R1.1 FCN[C@H]1CC[C@@H](CC1)Cl 1b002bcec6c0d7b5bd0bebb8869a5a14 [0,2,0,0,0,0|1,0,1]=4 1214 B10R1.1 FCN[C@H]1CC[C@H](CC1)Cl b9577da271f2b9a82df391a8f104bf04 [0,2,0,0,0,0|1,0,1]=4 1215 B10R1.1 FCOC1CC=C(CC1)Br d3731360cdb7849c44e88d1f53662943 [0,2,0,0,0,0|1,0,1]=4 1216 B10R1.1 FCOC1CCC(CC1)F b8d90b8c9bd5a7e4c79e4b65d3ddf632 [0,2,0,0,0,0|1,0,1]=4 1217 B10R1.1 O=C1CCC(CC1)OCF 78350f958fb8829bb962a0ae21ab037b [0,2,0,0,0,0|0,0,0]=2 1218 B10R1.1 O=C1CCC(CN1)NCF bda602da47c282369b34b4ec7216439e [0,2,0,0,0,0|1,0,0]=3 1219 B10R1.1 O=C1CCC(CN1)NCO a0a9540a3249863eeb0b233c7c64165d [0,2,0,0,0,0|1,0,0]=3 1220 B10R1.1 O=C1CCC(CN1)OCF 2c411d8f7d1a9101cdc7ea8954cbdf2a [0,2,0,0,0,0|1,0,0]=3 1221 B10R1.1 O=C1CCC(CO1)OCF 2ede05c50c96239faa2b18b61385a030 [0,2,0,0,0,0|1,0,0]=3 1222 B10R1.1 O=C1CC[C@@H](CN1)NCF 6f22a42b3639cfa55f982eff258dcb2f [0,2,0,0,0,0|1,0,0]=3 1223 B10R1.1 O=C1CC[C@@H](CN1)NCO 54ce80292ad98822c7b715cb21def7d6 [0,2,0,0,0,0|1,0,0]=3 1224 B10R1.1 O=C1CC[C@@H](CN1)OCF 83c7e6e6fa992d5f125d656d5a7d2687 [0,2,0,0,0,0|1,0,0]=3 1225 B10R1.1 O=C1CC[C@H](CN1)NCF 21a7b8a4a4bcb073c4b1f0b151c15cda [0,2,0,0,0,0|1,0,0]=3 1226 B10R1.1 O=C1CC[C@H](CN1)NCO f2a42b4d5da3548c4ae61e937ede1b85 [0,2,0,0,0,0|1,0,0]=3 1227 B10R1.1 O=C1CC[C@H](CN1)OCF 35ea27ef72ac529d43a22763505bbfaa [0,2,0,0,0,0|1,0,0]=3 1228 B10R1.1 O=C1NCC(CN1)OCF 64a29086184b3550b550807efbeeeb2e [0,2,0,0,0,0|2,0,0]=4 1229 B10R1.1 O=CCN1CCC(CC1)Cl f44060c632379f30e3a3389328833447 [0,2,0,0,0,0|2,0,0]=4 1230 B10R1.1 O=CCN1CCC(CC1)F 2781f27007adcb7ee0ca7c887ccc3c4e [0,2,0,0,0,0|2,0,0]=4 1231 B10R1.1 O=CCN1CCC(CC1)I 3e2382520badcc521289a83bb555944a [0,2,0,0,0,0|2,0,0]=4 1232 B10R1.1 O=CCN1CCC(CC1)O 85954c28b8e45e690841eaa6bce79256 [0,2,0,0,0,0|2,0,0]=4 1233 B10R1.1 O=CNC1CCC(=O)NC1 115dac70a1f1f81fba56f6cf86e5ecca [0,2,0,0,0,0|1,0,1]=4 1234 B10R1.1 O=CNC1CCC(CC1)Cl cfa48f9d1ba3ac854f695c0cabe096ec [0,2,0,0,0,0|1,0,1]=4 1235 B10R1.1 O=CNC1CCC(CC1)O 4dcab8102ff6da71d9d98445219c58e9 [0,2,0,0,0,0|1,0,1]=4 1236 B10R1.1 O=CN[C@@H]1CCC(=O)NC1 9847345e966f9edf97f6cc4338684cd6 [0,2,0,0,0,0|1,0,1]=4 1237 B10R1.1 O=CN[C@H]1CCC(=O)NC1 4370ca681341305b2f814da5310d1c7d [0,2,0,0,0,0|1,0,1]=4 1238 B10R1.1 O=CN[C@H]1CC[C@@H](CC1)Cl 464f7c9c757bbf4b5094a995c3936139 [0,2,0,0,0,0|1,0,1]=4 1239 B10R1.1 O=CN[C@H]1CC[C@@H](CC1)O d6c30b9eedd638affbdd8dbfa14d3532 [0,2,0,0,0,0|1,0,1]=4 1240 B10R1.1 O=CN[C@H]1CC[C@H](CC1)Cl a2d2eb6869558ffb8e8c032c7ca77b62 [0,2,0,0,0,0|1,0,1]=4 1241 B10R1.1 O=CN[C@H]1CC[C@H](CC1)O 69d43dcd77798c743c4f1d4468f85616 [0,2,0,0,0,0|1,0,1]=4 1242 B10R1.1 OC1CCC(CC1)NCF 173941c078315b0b62a125e136946135 [0,2,0,0,0,0|0,0,2]=4 1243 B10R1.1 OCNC1CCC(CC1)Cl 14ddfd4e42c900b9ccebe27362de4ea8 [0,2,0,0,0,0|1,0,1]=4 1244 B10R1.1 OCNC1CCC(CC1)O 563a1e3160aa08d43754abf204c4f93b [0,2,0,0,0,0|0,0,2]=4 1245 B10R1.1 OCN[C@H]1CC[C@@H](CC1)Cl fb81ad86a8c3425c2ad2f852061d9cbf [0,2,0,0,0,0|1,0,1]=4 1246 B10R1.1 OCN[C@H]1CC[C@@H](CC1)O 72a8642bbc5861441fdeacab8df3982d [0,2,0,0,0,0|0,0,2]=4 1247 B10R1.1 OCN[C@H]1CC[C@H](CC1)Cl dc9b9015a4f0d208329ff7ed4eb4384a [0,2,0,0,0,0|1,0,1]=4 1248 B10R1.1 OCN[C@H]1CC[C@H](CC1)O f2d05954ab0e7cc9388ae785a7ea5f83 [0,2,0,0,0,0|0,0,2]=4 1249 B10R1.1 O[C@H]1CC[C@@H](CC1)NCF 1a1bb6ed9b17af03c027aaa18f7571d4 [0,2,0,0,0,0|0,0,2]=4 1250 B10R1.1 O[C@H]1CC[C@H](CC1)NCF c823bb0f45c2feefcd322eefe5192838 [0,2,0,0,0,0|0,0,2]=4 1251 B10R1.3 CCC1CCN(CC1)C=O 0f7c00c20a40ae5056ab69ed4bc07700 [0,2,0,0,0,0|1,0,0]=3 1252 B10R1.3 CCC1CCN(CC1)CC befe03e1bc058bf19f72d23b206c3c98 [0,2,0,0,0,0|2,0,0]=4 1253 B10R1.3 CCC1CCN(CC1)CF 4dee1508cf3c89baa94739d78490c6f4 [0,2,0,0,0,0|2,0,0]=4 1254 B10R1.3 CCC1CCN(CC1)CO 54f22ca81c385f9aaa486d36f047154a [0,2,0,0,0,0|1,0,1]=4 1255 B10R1.3 CCN1CCC(CC1)C=O e42114532df26d87ab8a26f60a4b1426 [0,2,0,0,0,0|1,0,1]=4 1256 B10R1.3 CCN1CCC(CC1)CF 12142723abbb3c207b04a0f7b391705f [0,2,0,0,0,0|2,0,0]=4 1257 B10R1.3 CCN1CCC(CC1)CO f396e6561d90cedb03aa0bba64e4e139 [0,2,0,0,0,0|2,0,0]=4 1258 B10R1.3 CCN1CCC(CC1)OC 0f7dfc2d2b0a3f36e05126b7a1d182e6 [0,2,0,0,0,0|2,0,0]=4 1259 B10R1.3 CCN1CCC(CC1)SC ffc818e2e8d4277e445d10943efc7234 [0,2,0,0,0,0|2,0,0]=4 1260 B10R1.3 CCN1CCN(CC1)C=O a907c861275211bf3ed4ef4da9bc0ab2 [0,2,0,0,0,0|2,0,0]=4 1261 B10R1.3 COC1CCN(CC1)C=O 07d7cb870935d90e38ad35f0a6eb9b82 [0,2,0,0,0,0|1,0,0]=3 1262 B10R1.3 COC1CCN(CC1)CF 2cba3828e72002155690714da8d261ba [0,2,0,0,0,0|2,0,0]=4 1263 B10R1.3 COC1CCN(CC1)CO 931cbf82aef293625fb2dc8dfc232745 [0,2,0,0,0,0|1,0,1]=4 1264 B10R1.3 CON1CCN(CC1)C=O 795e3380128585e20a8b6ed3147d5173 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.3 CSC1CCN(CC1)C=O 11b9fcae91ab5d1a4133fd147f7b0f5b [0,2,0,0,0,0|1,0,0]=3 1266 B10R1.3 CSC1CCN(CC1)CF 776b446b6e28229f48ad9fd0b640f1e3 [0,2,0,0,0,0|2,0,0]=4 1267 B10R1.3 CSC1CCN(CC1)CO 6cbdb7a781cb87923cf016cfe0792e47 [0,2,0,0,0,0|1,0,1]=4 1268 B10R1.3 FCC1CCN(CC1)CF 04c1a98e3f1d824edf1a71a7394f4a0c [0,2,0,0,0,0|2,0,0]=4 1269 B10R1.3 N#CC1CCN(CC1)C=O 08bfc10fb22503132150fe00e8fc0420 [0,2,0,0,0,0|1,0,1]=4 1270 B10R1.3 O=CC1CCN(CC1)C=O 2464a99804b86d7c53be6fc376583bb8 [0,2,0,0,0,0|1,0,1]=4 1271 B10R1.3 O=CC1CCN(CC1)CF 8dda3bddb5bc75b33cac78757bc53ec9 [0,2,0,0,0,0|1,0,1]=4 1272 B10R1.3 O=CC1CCN(CC1)CO 933e0020291a087a294d2f08e999a422 [0,2,0,0,0,0|1,0,1]=4 1273 B10R1.3 O=CN1CCC(CC1)CF b5e9f7ea89b20572159450e444de774d [0,2,0,0,0,0|1,0,0]=3 1274 B10R1.3 O=CN1CCC(CC1)CO 85c7636c0351ce49e83341d18a100be6 [0,2,0,0,0,0|1,0,0]=3 1275 B10R1.3 O=CN1CCN(CC1)CF 99fb1209aa75b221706f77481a4df679 [0,2,0,0,0,0|2,0,0]=4 1276 B10R1.3 O=CN1CCN(CC1)CO dd4a93b0d88f9ee145080b360d8b8ad1 [0,2,0,0,0,0|2,0,0]=4 1277 B10R1.3 OCC1CCN(CC1)CF 3255d18cd98f7d555da727961884361b [0,2,0,0,0,0|2,0,0]=4 1278 B10R1.3 OCC1CCN(CC1)CO f69823a0cbd4634f56dd3153e8388d01 [0,2,0,0,0,0|1,0,1]=4 1279 B10R1.3 OCN1CCC(CC1)CF 4cd22d055a6c506e054085a45879916c [0,2,0,0,0,0|1,0,1]=4 1280 B10R1.13 CC(=O)N1CCC(CC1)C 1b760e49050c38e65a44c83de7209996 [0,2,0,0,0,0|1,0,0]=3 1281 B10R1.13 CC(=O)N1CCC(CC1)Cl 35635043eca145d596ab1f8e523f4267 [0,2,0,0,0,0|2,0,0]=4 1282 B10R1.13 CC(=O)N1CCC(CC1)F 2ce6b5081a0230bcfc598094a8df4a7e [0,2,0,0,0,0|2,0,0]=4 1283 B10R1.13 CC(=O)N1CCC(CC1)I 71e1bd31980c8dd28fdd30de6ddf3ac6 [0,2,0,0,0,0|2,0,0]=4 1284 B10R1.13 CC(=O)N1CCC(CC1)O 1481df3e605d80311e18ec650d4bb707 [0,2,0,0,0,0|2,0,0]=4 1285 B10R1.13 CC(=O)N1CCN(CC1)C 2b5ea0d40a4c9559a9c62201de40eeff [0,2,0,0,0,0|2,0,0]=4 1286 B10R1.13 CC1CCN(CC1)C(C)C 2e40408a45630966a3870cfa655872f0 [0,2,0,0,0,0|2,0,0]=4 1287 B10R1.25 CC1CC(CCN1C=O)O 5fe338fbcff872ebabda0acbbb296137 [0,2,0,0,0,0|2,0,0]=4 1288 B10R1.25 CC1CCN(C(C1)C)C=O d0ae47647de4238d6ddf0afb15714255 [0,2,0,0,0,0|1,0,0]=3 1289 B10R1.25 CC1CCN(C(C1)C)CF 7fc8f7de72ef0645f8c259dee65df207 [0,2,0,0,0,0|2,0,0]=4 1290 B10R1.25 CC1CCN(C(C1)C)CO a9ba0d63807224383d1aa6fd3782541a [0,2,0,0,0,0|1,0,1]=4 1291 B10R1.25 CC1CN(CCN1C=O)C 0b2082bc962a6309d05059119221c9f3 [0,2,0,0,0,0|2,0,0]=4 1292 B10R1.25 CCN1CCC(CC1C)C 5e43dd9a4ff6c277032b18ff8ec72323 [0,2,0,0,0,0|2,0,0]=4 1293 B10R1.25 CCN1CC[C@@H](C[C@@H]1C)C 4804ab99fabbab537a7519e86c00df8d [0,2,0,0,0,0|2,0,0]=4 1294 B10R1.25 CCN1CC[C@H](C[C@H]1C)C 072d5a364256f98465fa9270b4a7c813 [0,2,0,0,0,0|2,0,0]=4 1295 B10R1.25 C[C@@H]1CCN([C@@H](C1)C)C=O e8d62963b56fa21bde585709290c452c [0,2,0,0,0,0|1,0,0]=3 1296 B10R1.25 C[C@@H]1CCN([C@@H](C1)C)CF d6a66a25899942b9132a4b81058793ba [0,2,0,0,0,0|2,0,0]=4 1297 B10R1.25 C[C@@H]1CCN([C@@H](C1)C)CO 13330f5986667668484cdce31fc2a91c [0,2,0,0,0,0|1,0,1]=4 1298 B10R1.25 C[C@@H]1CN(CCN1C=O)C fcea0df925364957542a8001e9224bfd [0,2,0,0,0,0|2,0,0]=4 1299 B10R1.25 C[C@@H]1C[C@@H](CCN1C=O)O 55e46069810c87a3ab82cc39357535c8 [0,2,0,0,0,0|2,0,0]=4 1300 B10R1.25 C[C@@H]1C[C@H](CCN1C=O)O fb872f7126a379e6bbfa6a09653e1fbb [0,2,0,0,0,0|2,0,0]=4 1301 B10R1.25 C[C@H]1CCN([C@H](C1)C)C=O 29c21008b0fb95a1bd335da9e423aefb [0,2,0,0,0,0|1,0,0]=3 1302 B10R1.25 C[C@H]1CCN([C@H](C1)C)CF e295841f83d39ec5ca466d91b7b9ffbf [0,2,0,0,0,0|2,0,0]=4 1303 B10R1.25 C[C@H]1CCN([C@H](C1)C)CO 8d26d6e7dd00b8102fe1e04049d07ddf [0,2,0,0,0,0|1,0,1]=4 1304 B10R1.25 C[C@H]1CN(CCN1C=O)C e3c6be69dd62859c8efe79d3ce500eaa [0,2,0,0,0,0|2,0,0]=4 1305 B10R1.26 CC1(CCN(CC1)C=O)C 0194f75d9307792a3ab2ffe537fb7f67 [0,2,0,0,0,0|1,0,0]=3 1306 B10R1.26 CC1(CCN(CC1)C=O)O 77a2e5cdf190f7f869e2455e3c5afa35 [0,2,0,0,0,0|1,0,0]=3 1307 B10R1.26 CC1(CCN(CC1)CF)C 895c57d2cf20ad1983b9d80bde30b7e3 [0,2,0,0,0,0|2,0,0]=4 1308 B10R1.26 CC1(CCN(CC1)CF)O 39763019b91f08922cdc420037cb1bf8 [0,2,0,0,0,0|2,0,0]=4 1309 B10R1.26 CC1(CCN(CC1)CO)C b31405fc158b4dd66dfbfee970822b4a [0,2,0,0,0,0|1,0,1]=4 1310 B10R1.26 CC1(CCN(CC1)CO)O 91497a62c7eed8bf9cfae7cc05f0fba5 [0,2,0,0,0,0|1,0,1]=4 1311 B10R1.26 CCN1CCC(CC1)(C)C 1e1422bfa16b52c83b8fc6ef90643781 [0,2,0,0,0,0|2,0,0]=4 1312 B10R1.26 CCN1CCC(CC1)(C)O f5b13fceb115e30eca68c90e61c21a5e [0,2,0,0,0,0|2,0,0]=4 1313 B10R1.26 CCN1CCS(=N)(=O)CC1 63307ac7fb54ef915f39c5b3bb02e056 [0,2,0,0,0,0|2,0,0]=4 1314 B10R1.26 CCN1CCS(=O)(=O)CC1 47f342ac73719d461a0cf8b2785e52a9 [0,2,0,0,0,0|2,0,0]=4 1315 B10R1.26 N=S1(=O)CCN(CC1)CF 9dbabd77f555e890e124eef6fb2c052b [0,2,0,0,0,0|2,0,0]=4 1316 B10R1.26 N=S1(=O)CCN(CC1)CO f5e897e8a8ce6064232c98881fe371cd [0,2,0,0,0,0|2,0,0]=4 1317 B10R1.26 O=CN1CCC(CC1)(F)F fbed9f3ef6543036bd89c14ebf6ddda8 [0,2,0,0,0,0|2,0,0]=4 1318 B10R1.26 O=S1(=O)CCN(CC1)CF f1242ddf310317eb66f13fcb7b1a6d8f [0,2,0,0,0,0|2,0,0]=4 1319 B10R1.26 O=S1(=O)CCN(CC1)CO d966adc46e5252da4946b93fe059b575 [0,2,0,0,0,0|2,0,0]=4 1320 B10R1.176 CC1CCN(CC1O)C=O d5f48301a87769511e2a5cfb323fec6d [0,2,0,0,0,0|1,0,0]=3 1321 B10R1.176 CC1CCN(CC1O)CF 85d7a67316e527dadedc486c4ab5e48d [0,2,0,0,0,0|2,0,0]=4 1322 B10R1.176 CC1CCN(CC1O)CO 565bd9f1608c15e10ba8f27a95b91a1a [0,2,0,0,0,0|1,0,1]=4 1323 B10R1.176 CC1CN(CCC1=O)C=O 7130d3f5a4ed9ab24fda18b098db4539 [0,2,0,0,0,0|1,0,1]=4 1324 B10R1.176 CC1CN(CCC1=O)CF fc2bd0ef1a2cb6ce2fe4b636d2cc88a4 [0,2,0,0,0,0|1,0,0]=3 1325 B10R1.176 CC1CN(CCC1=O)CO fef46a98c562ad0241351680245be554 [0,2,0,0,0,0|1,0,0]=3 1326 B10R1.176 CC1CN(CCC1O)C=O 4595f1e35c69e74c1ad9d41eab5effe7 [0,2,0,0,0,0|2,0,0]=4 1327 B10R1.176 CC1CN(CCN1C)C=O d4515784c5a5a7ed26de6548adf07eb9 [0,2,0,0,0,0|2,0,0]=4 1328 B10R1.176 CCN1CCC(=O)C(C1)C d97a66b8040cca31e51b31093b1b9d46 [0,2,0,0,0,0|1,0,0]=3 1329 B10R1.176 CCN1CCC(C(C1)O)C 6ed9b37b8dd27cf371050fe6b95a6931 [0,2,0,0,0,0|2,0,0]=4 1330 B10R1.176 CCN1CC[C@@H]([C@@H](C1)O)C 65d11a6081d303a3921857511fce8baa [0,2,0,0,0,0|2,0,0]=4 1331 B10R1.176 CCN1CC[C@@H]([C@H](C1)O)C 3833da1f36e7bb696e98f86f29533992 [0,2,0,0,0,0|2,0,0]=4 1332 B10R1.176 CCN1CC[C@H]([C@@H](C1)O)C 68b6f347f35734511e0e076d649f9ab9 [0,2,0,0,0,0|2,0,0]=4 1333 B10R1.176 CCN1CC[C@H]([C@H](C1)O)C f5b3d05cf33158ffbaa32d288398e203 [0,2,0,0,0,0|2,0,0]=4 1334 B10R1.176 C[C@@H]1CCN(C[C@@H]1O)C=O 5c05d1905416723ded5c27a877a60d26 [0,2,0,0,0,0|1,0,0]=3 1335 B10R1.176 C[C@@H]1CCN(C[C@@H]1O)CF c5bb2a1660c07445b04c3321f5fc3913 [0,2,0,0,0,0|2,0,0]=4 1336 B10R1.176 C[C@@H]1CCN(C[C@@H]1O)CO 8febcccbb4b7a0baee51b9671facf2d2 [0,2,0,0,0,0|1,0,1]=4 1337 B10R1.176 C[C@@H]1CCN(C[C@H]1O)C=O 6fbbe27cfdd366fc29bd762ca5d56bb3 [0,2,0,0,0,0|1,0,0]=3 1338 B10R1.176 C[C@@H]1CCN(C[C@H]1O)CF 83c860e4a72a8ebdb04adc60bfa3297d [0,2,0,0,0,0|2,0,0]=4 1339 B10R1.176 C[C@@H]1CCN(C[C@H]1O)CO 863536fb164cec4b9f07a06b15399dea [0,2,0,0,0,0|1,0,1]=4 1340 B10R1.176 C[C@@H]1CN(CCN1C)C=O 82ab8ab38aa87cc4fbf2905ef0e851a3 [0,2,0,0,0,0|2,0,0]=4 1341 B10R1.176 C[C@@H]1CN(CC[C@H]1O)C=O b4085edf87586a0e1dc0ffc7bd57480d [0,2,0,0,0,0|2,0,0]=4 1342 B10R1.176 C[C@H]1CCN(C[C@@H]1O)C=O e449325255df37632a68e029ef16c8b7 [0,2,0,0,0,0|1,0,0]=3 1343 B10R1.176 C[C@H]1CCN(C[C@@H]1O)CF 566d8705767bbad0fa7f0e50d33bbc69 [0,2,0,0,0,0|2,0,0]=4 1344 B10R1.176 C[C@H]1CCN(C[C@@H]1O)CO 7e30437118be7a783a4964facafeb15c [0,2,0,0,0,0|1,0,1]=4 1345 B10R1.176 C[C@H]1CCN(C[C@H]1O)C=O 6636344910345cf4445cbbd06d804ffe [0,2,0,0,0,0|1,0,0]=3 1346 B10R1.176 C[C@H]1CCN(C[C@H]1O)CF dc11d8c6b422dd01bb777d93685df2fb [0,2,0,0,0,0|2,0,0]=4 1347 B10R1.176 C[C@H]1CCN(C[C@H]1O)CO 1bf9e61f8564a88b14d002e5cf3c4f8c [0,2,0,0,0,0|1,0,1]=4 1348 B10R1.176 C[C@H]1CN(CCN1C)C=O 79ecd9356d77dd6e349fa0b5e9108dc8 [0,2,0,0,0,0|2,0,0]=4 1349 B10R1.176 C[C@H]1CN(CC[C@H]1O)C=O f94d8bd6f3ceee32551e6a3c2b186d51 [0,2,0,0,0,0|2,0,0]=4 1350 B10R1.176 O=CN1CC[C@@H]([C@H](C1)O)O 20d75aa3c112f2b9dba4fc06d3f3d4e5 [0,2,0,0,0,0|2,0,0]=4 1351 B10R1.176 O=CN1CC[C@H]([C@@H](C1)F)O 3e8f6f838abfbbd73b8bebd41624ef03 [0,2,0,0,0,0|2,0,0]=4 1352 B10R1.176 O=CN1CC[C@H]([C@@H](C1)O)F eecc9eae4feefdbe5b5c836d82282826 [0,2,0,0,0,0|2,0,0]=4 1353 B10R1.176 O=CN1CC[C@H]([C@H](C1)F)O 43428ee554c9064f368724323b99caad [0,2,0,0,0,0|2,0,0]=4 1354 B10R1.176 O=CN1CC[C@H]([C@H](C1)O)F 6f46f6a65a3c4d868ce4ae7828d4ec77 [0,2,0,0,0,0|2,0,0]=4 1355 B10R1.30 CC1CNC(=O)CN1C=O fcd5de5cb32f4e0745f920e9ae254b39 [0,2,0,0,0,0|2,0,0]=4 1356 B10R1.30 CC1CNC(=O)CN1CF a3ba8e8aefb2e8acd180d5c6f79af42b [0,2,0,0,0,0|2,0,0]=4 1357 B10R1.30 CC1CNC(=O)CN1CO a54211f72aaefd0609bc79e34369380b [0,2,0,0,0,0|2,0,0]=4 1358 B10R1.30 CCN1CC(=O)NCC1C 5d3ef9320a404fa74540da48e92ed823 [0,2,0,0,0,0|2,0,0]=4 1359 B10R1.30 CCN1CC(=O)NC[C@@H]1C 801e297755e1037bac07c3c33e73eb5c [0,2,0,0,0,0|2,0,0]=4 1360 B10R1.30 CCN1CC(=O)NC[C@H]1C 3a77f88312708bef1a80d56339b93d2a [0,2,0,0,0,0|2,0,0]=4 1361 B10R1.30 C[C@@H]1CNC(=O)CN1C=O 1025c0607073a5885f233125b482a4dc [0,2,0,0,0,0|2,0,0]=4 1362 B10R1.30 C[C@@H]1CNC(=O)CN1CF 5d8aa0b761ab286941a9bf7d1b24df6e [0,2,0,0,0,0|2,0,0]=4 1363 B10R1.30 C[C@@H]1CNC(=O)CN1CO 221603aa183e124e7a2955d9bccb9606 [0,2,0,0,0,0|2,0,0]=4 1364 B10R1.30 C[C@H]1CNC(=O)CN1C=O 01e7015ebf14d5a57435f351c6da767d [0,2,0,0,0,0|2,0,0]=4 1365 B10R1.30 C[C@H]1CNC(=O)CN1CF 8319d0ada51439d392bfd349b5691d97 [0,2,0,0,0,0|2,0,0]=4 1366 B10R1.30 C[C@H]1CNC(=O)CN1CO f630e990b0dbe79f9b144c8cacc85dcd [0,2,0,0,0,0|2,0,0]=4 1367 B8R1.9 C=CCNC1CC1C b0ff888915c2d21b161d67161a001a2b [0,0,1,1,0,0|2,0,0]=4 1368 B8R1.9 CC1CC1NCC=O 892d613b2191180ffc95c583aabe7b25 [0,0,1,1,0,0|1,0,0]=3 1369 B8R1.9 O=CCN[C@@H]1C[C@H]1F 1b30ed4a609cd2619bcd787e45fd7f37 [0,0,1,1,0,0|2,0,0]=4 1370 B8R1.9 O=CCN[C@H]1C[C@@H]1F a1495db808f21a1e52da1e1d9590d29a [0,0,1,1,0,0|2,0,0]=4 1371 B8R1.9 O=CCN[C@H]1C[C@H]1F 317579e6fc51976ad113a70571610a12 [0,0,1,1,0,0|2,0,0]=4 1372 B8R1.10 C=CCCN1CCC1 90ae1a1b6d98a52229ff5334995e0ff1 [0,0,1,1,0,0|2,0,0]=4 1373 B8R1.10 C=CCNC1CCC1 f7b1e125826a8d6464115b8b7cff4769 [0,0,1,1,0,0|2,0,0]=4 1374 B8R1.10 C=CCOC1CCC1 3bd9e905931a1a521265c072e91c50d4 [0,0,1,1,0,0|2,0,0]=4 1375 B8R1.10 CCCCN1CCC1 7fbca42388bc0dd3c1b836c8bc1c15ea [0,0,1,1,0,0|2,0,0]=4 1376 B8R1.10 O=CCCN1CCC1 8fc22dace4a53f5fd2e5bf24e18f5eea [0,0,1,1,0,0|1,0,0]=3 1377 B8R1.10 O=CCNC1CCC1 633de7cc74462f33663be96f40e3e787 [0,0,1,1,0,0|1,0,0]=3 1378 B8R1.10 O=CCNC1COC1 1d6ece322c89f3d7cc823190a32662af [0,0,1,1,0,0|2,0,0]=4 1379 B8R1.10 O=CCOC1CCC1 85f0182d9d378ce0abecab1fd07075c2 [0,0,1,1,0,0|1,0,0]=3 1380 B8R1.10 O=CCOC1COC1 e8dcab4996958c28de59c791e8f90325 [0,0,1,1,0,0|2,0,0]=4 1381 B8R1.10 O=CCOC1CSC1 9f33472b8125f904d8c6a38b30ae6e0f [0,0,1,1,0,0|2,0,0]=4 1382 B8R1.10 O=CNCC1CCC1 8913f5bd1f8df32bedea9e3deac9ac7d [0,0,1,1,0,0|1,0,0]=3 1383 B8R1.10 O=CNCC1CCO1 1b9d337743db60b895698b8aaa786ab4 [0,0,1,1,0,0|2,0,0]=4 1384 B8R1.10 O=CNCC1COC1 d484a9f6109f51ef1467473a4d9493ff [0,0,1,1,0,0|2,0,0]=4 1385 B8R1.10 O=CNC[C@@H]1CCO1 fadf694024bd0fc6277f2beb85e4b394 [0,0,1,1,0,0|2,0,0]=4 1386 B8R1.10 O=CNC[C@H]1CCO1 26d38116a4b219b0d68fd14a2b690dd1 [0,0,1,1,0,0|2,0,0]=4 1387 B8R1.13 CC1OCC1NC=O f9b5eeed2f9956371d02a0585d89de6e [0,0,1,1,0,0|2,0,0]=4 1388 B8R1.13 CCN[C@H]1CNC1=O f3f57bd052f649487c4a2d7e92b0d01a [0,0,1,1,0,0|2,0,0]=4 1389 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,0,1,1,0,0|1,0,0]=3 1390 B8R1.13 C[C@@H]1CC[C@@H]1NC=O 832ca8b43ce77bd607bafce837c26208 [0,0,1,1,0,0|1,0,0]=3 1391 B8R1.13 C[C@@H]1CC[C@H]1NC=O d2720f62c3566f7476bb8bd3bbb32a7b [0,0,1,1,0,0|1,0,0]=3 1392 B8R1.13 O=C1CCC1OCF acbe5648e5fa1bf2d12fcf8dac78f593 [0,0,1,1,0,0|2,0,0]=4 1393 B8R1.13 O=CNC1CCC1F e99322470d72654c68e8cc3b0db230df [0,0,1,1,0,0|2,0,0]=4 1394 B8R1.13 O=CNC1CCC1O 77e73a0cb4e5ad431641f250066379fd [0,0,1,1,0,0|2,0,0]=4 1395 B8R1.13 O=CN[C@@H]1CC[C@@H]1O 9be330af07ef7a68a61722f62097919e [0,0,1,1,0,0|2,0,0]=4 1396 B8R1.13 O=CN[C@@H]1CC[C@H]1O a74500781f0881ab291899b8727dffc0 [0,0,1,1,0,0|2,0,0]=4 1397 B8R1.13 O=CN[C@H]1CC[C@@H]1O f6c564b97b260290e49358d20aaec1a0 [0,0,1,1,0,0|2,0,0]=4 1398 B8R1.13 O=CN[C@H]1CC[C@H]1O 126bd3309ad6ca2ddfb41ff376dce6e2 [0,0,1,1,0,0|2,0,0]=4 1399 B8R1.17 CO[C@H]1C[C@H]1NC=O 1b79bd8913fb3b88422ac4c515f2fdfc [0,0,1,1,0,0|2,0,0]=4 1400 B8R1.17 O=CN[C@@H]1C[C@H]1CO 10a8417564f04103fe2c352e0df4f7b1 [0,0,1,1,0,0|2,0,0]=4 1401 B8R1.17 O=CN[C@H]1C[C@@H]1CO fcec26220579a84c0c9bdf6d03f8b348 [0,0,1,1,0,0|2,0,0]=4 1402 B8R1.17 O=CN[C@H]1C[C@H]1CO ea8cc98580a13b71ee31b79f516fe4f2 [0,0,1,1,0,0|2,0,0]=4 1403 B8R1.38 CCC(=O)N1CCC1 d52503cf4cfc194127f664b5bcf57565 [0,0,1,1,0,0|1,0,0]=3 1404 B8R1.38 CCN(C)C1CCC1 f4c71fad86f93d124aa033d80b305738 [0,0,1,1,0,0|2,0,0]=4 1405 B8R1.38 O=C(CF)N1CCC1 e1631cac567168a725b0163e106fbfc3 [0,0,1,1,0,0|2,0,0]=4 1406 B8R1.38 O=C(CO)N1CCC1 14506b695520a8256189bb97564c8706 [0,0,1,1,0,0|2,0,0]=4 1407 B8R1.38 O=C(CS)N1CCC1 483ef26b984ed24bd38f07147cc524a3 [0,0,1,1,0,0|2,0,0]=4 1408 B8R1.40 CCC(=O)NC1CC1 bc1edd04b4e58cbfa3a5f5c726ebfe6b [0,0,1,1,0,0|1,0,0]=3 1409 B8R1.40 CCN(C)CC1CC1 54cb31e95fbf3de98bdb1be424bfef82 [0,0,1,1,0,0|2,0,0]=4 1410 B8R1.40 O=C(CF)NC1CC1 9ccf83dad7006c7283aead2cfdfd9cfa [0,0,1,1,0,0|2,0,0]=4 1411 B8R1.40 O=C(CO)NC1CC1 bb096758b55cfb0505bd2d10961bc923 [0,0,1,1,0,0|2,0,0]=4 1412 B8R1.40 O=C(CS)NC1CC1 47ed3dec057db245af795d634c1f00f4 [0,0,1,1,0,0|2,0,0]=4 1413 B8R1.41 C=CCNC1(CC1)C 4048a4383a79efb1bd693d29045e86e7 [0,0,1,1,0,0|2,0,0]=4 1414 B8R1.41 CC1(CC1)NCC=O 789ed2365d3b2b60268410f6763ad79b [0,0,1,1,0,0|1,0,0]=3 1415 B8R1.41 O=CNCC1(CC1)F 871b8e362c3da0fdce3d8e0abaca9a31 [0,0,1,1,0,0|2,0,0]=4 1416 B8R1.41 O=CNCC1(CC1)O 026bf04773c1cd53998b7f56de6bf467 [0,0,1,1,0,0|2,0,0]=4 1417 B8R1.47 CCC1CN(C1)C=O 9645ce44596bcd4aa700308ce0a15fd2 [0,0,1,1,0,0|1,0,0]=3 1418 B8R1.47 CCC1CN(C1)CC 27929d598393fc53e615f7cb52a3273d [0,0,1,1,0,0|2,0,0]=4 1419 B8R1.47 COC1CN(C1)C=O 6ae02e7371cb34231d2c8b7c1761233f [0,0,1,1,0,0|2,0,0]=4 1420 B8R1.47 CSC1CN(C1)C=O 3e599a49c3beebe60d5d28a097e005b4 [0,0,1,1,0,0|2,0,0]=4 1421 B8R1.47 O=CN1CC(C1)CF 125853e913eeb87cf13a0ad83bade73e [0,0,1,1,0,0|2,0,0]=4 1422 B8R1.47 O=CN1CC(C1)CO 9e50403ad99f4cbde879e40a47f3fc76 [0,0,1,1,0,0|2,0,0]=4 1423 B8R1.20 CC(=O)NC1CC1C 1768a28e3842ccc949f84e026e8d58f3 [0,0,1,1,0,0|1,0,0]=3 1424 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F bc7a6eb1a99ce556c18fcaf7f0c75c37 [0,0,1,1,0,0|2,0,0]=4 1425 B8R1.20 CC(=O)N[C@H]1C[C@@H]1F 576115c90eccc628d4e941f7a7852f6c [0,0,1,1,0,0|2,0,0]=4 1426 B8R1.20 CC(=O)N[C@H]1C[C@H]1F 8cb83b6d110bbd78098fefdd41f3f45a [0,0,1,1,0,0|2,0,0]=4 1427 B8R1.23 CC(=O)N1CC(C1)F cba0abc01d5766c34fe5531513946933 [0,0,1,1,0,0|2,0,0]=4 1428 B8R1.23 CC(=O)N1CC(C1)O 77ab01a2253fd049b876c0a3e724463e [0,0,1,1,0,0|2,0,0]=4 1429 B8R1.35 C=C(C)CNC1CC1 d7b88e809441d579b0399cecfd2ac93a [0,0,1,1,0,0|2,0,0]=4 1430 B8R1.35 C=C(C)COC1CC1 63ffc7725ab16da355947b48ca968597 [0,0,1,1,0,0|2,0,0]=4 1431 B8R1.35 CC(=O)CNC1CC1 bc0778517edf8997c2cb438d2c68c0b3 [0,0,1,1,0,0|1,0,0]=3 1432 B8R1.35 CC(=O)COC1CC1 609f3b6a39f515f0075f8f8591a3a733 [0,0,1,1,0,0|1,0,0]=3 1433 B8R1.35 CC(=O)NCC1CC1 a9186e5a31a6f613e1b56d3a88df1d54 [0,0,1,1,0,0|1,0,0]=3 1434 B8R1.35 NC(=O)CNC1CC1 a00288a750d00bc42baa6fd0a0cd1bb6 [0,0,1,1,0,0|2,0,0]=4 1435 B8R1.35 NC(=O)COC1CC1 d832967b8065c8155f8f7bfb171fc20f [0,0,1,1,0,0|2,0,0]=4 1436 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,0,1,1,0,0|2,0,0]=4 1437 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,0,1,1,0,0|2,0,0]=4 1438 B8R1.77 CC(=O)N1CC1(C)C 590117534e705036bf11af3121bac41b [0,0,1,1,0,0|1,0,0]=3 1439 B10R2.109 CCN1CCC2CC2C1 f21090fa3edd3d3600249d33808a6b0c [0,1,0,1,0,0|2,0,0]=4 1440 B10R2.109 FCN1CCC2CC2C1 24030b061263b6c5a61359eb9d830ac8 [0,1,0,1,0,0|2,0,0]=4 1441 B10R2.109 O=CN1CCC2CC2C1 2db05f41517837ccff5ea5089c869488 [0,1,0,1,0,0|1,0,0]=3 1442 B10R2.109 OCN1CCC2CC2C1 0c79f54b453b148568c2092ca2aa72d6 [0,1,0,1,0,0|1,0,1]=4 1443 B8R0.28 C/C(=C/COC(C)C)/Cl 7fe9c64c45a9d920627e606e5c16e8c0 [0,0,1,0,0,1|1,0,1]=4 1444 B8R0.28 C/C(=C/COC(C)C)/I bf083f5e2b495d1222df4302aafc9da1 [0,0,1,0,0,1|1,0,1]=4 1445 B8R0.28 C/C(=C\COC(C)C)/Cl 3d631fcefff4d6e9b8b38f0d9e660ac1 [0,0,1,0,0,1|1,0,1]=4 1446 B8R0.28 C=C(Br)CCOC(C)C ebda5fee130a250b1943610fb0d4dd32 [0,0,1,0,0,1|1,0,1]=4 1447 B8R0.28 C=C(Br)CNCC(C)C c8a2223ad4fb68f566d748ff6bcd2335 [0,0,1,0,0,1|1,0,1]=4 1448 B8R0.28 C=C(Br)COCC(C)C c1a78a7a2c4ff68938dbedaa96847100 [0,0,1,0,0,1|1,0,1]=4 1449 B8R0.28 C=C(C)CCNC(=O)C aad0094172f39db5c54a5f1ed27a8fb8 [0,0,1,0,0,1|0,0,2]=4 1450 B8R0.28 C=C(C)CCNC(C)C 743b41619695d9f1ae0496c6310ea6bc [0,0,1,0,0,1|1,0,0]=3 1451 B8R0.28 C=C(C)CCOC(C)C 69cc10ae5801e38a3d14074626c7f435 [0,0,1,0,0,1|1,0,0]=3 1452 B8R0.28 C=C(C)CNCC(=O)C 78f45c6f7509cf460bc1a071e894d38c [0,0,1,0,0,1|0,0,2]=4 1453 B8R0.28 C=C(C)CNCC(C)C 67c871a24d86e1667f16c08c29255d90 [0,0,1,0,0,1|1,0,0]=3 1454 B8R0.28 C=C(C)CNCC(C)O 2b714059ab9907260e6aaccb52d1cb14 [0,0,1,0,0,1|2,0,0]=4 1455 B8R0.28 C=C(C)CNCN(C)C bd8d3ecb05e7272c6d776cc910168f61 [0,0,1,0,0,1|2,0,0]=4 1456 B8R0.28 C=C(C)CNC[C@@H](C)O c594a1781a89398e4ea1a6fed43fc869 [0,0,1,0,0,1|2,0,0]=4 1457 B8R0.28 C=C(C)CNC[C@H](C)O a78b3c91bc5afc2963451088f5a91de2 [0,0,1,0,0,1|2,0,0]=4 1458 B8R0.28 C=C(C)COCC(=O)C 3742b2df3a9a917d85dc43f50a8243d8 [0,0,1,0,0,1|0,0,2]=4 1459 B8R0.28 C=C(C)COCC(C)C 4b7379c6d79f87e4ea0cd366985a2d99 [0,0,1,0,0,1|1,0,0]=3 1460 B8R0.28 C=C(C)COCC(C)F a795756f8a49e558cd74e3b29b74a2d5 [0,0,1,0,0,1|2,0,0]=4 1461 B8R0.28 C=C(C)COCC(C)S 662040e79d7dc5c45fcfe22fcc5b8e8f [0,0,1,0,0,1|2,0,0]=4 1462 B8R0.28 C=C(C)COCN(C)C d03b32e0b707db0af4f8cc8a5d86f7bf [0,0,1,0,0,1|2,0,0]=4 1463 B8R0.28 C=C(C)COC[C@@H](C)F fa9677698904873ff03c9c575f62d5d5 [0,0,1,0,0,1|2,0,0]=4 1464 B8R0.28 C=C(C)COC[C@H](C)F 15d5f151204078319cecfaf717305158 [0,0,1,0,0,1|2,0,0]=4 1465 B8R0.28 C=C(Cl)CNCC(C)C 133a90dc6fd28ed81828592e584bc629 [0,0,1,0,0,1|1,0,1]=4 1466 B8R0.28 C=C(Cl)COCC(C)C 184574507b3b98e3e54e734161d68e3a [0,0,1,0,0,1|1,0,1]=4 1467 B8R0.28 C=C(F)CNCC(C)C cf657ab8bf1ba535863f8b8fe0d19e9c [0,0,1,0,0,1|1,0,1]=4 1468 B8R0.28 C=C(F)COCC(C)C 232c1ccf078910d1e8ccc5380c172d54 [0,0,1,0,0,1|1,0,1]=4 1469 B8R0.28 C=C(I)COCC(C)C fe07220c9926e6770dfe26662ad9f2d0 [0,0,1,0,0,1|1,0,1]=4 1470 B8R0.28 CC(=CCNC(C)C)C 4bc1ccab37d407a99a9990c7578b5199 [0,0,1,0,0,1|1,0,1]=4 1471 B8R0.28 CC(=CCOC(C)C)C e629491c9d8565cece6e7fc625997c17 [0,0,1,0,0,1|1,0,1]=4 1472 B8R0.28 CC(=CCOC(C)C)Cl a39ef05b023be2dade9da17dfad18eaf [0,0,1,0,0,1|1,0,1]=4 1473 B8R0.28 CC(=CCOC(C)C)I 01c05b5dfce2ec79ecfc68549232c0d8 [0,0,1,0,0,1|1,0,1]=4 1474 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,0,1,0,0,1|0,0,0]=2 1475 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,0,1,0,0,1|0,0,0]=2 1476 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,0,1,0,0,1|1,0,0]=3 1477 B8R0.28 CC(=O)CNCC(F)F 040d59234b7876c01745adf80e5ff725 [0,0,1,0,0,1|2,0,0]=4 1478 B8R0.28 CC(=O)CNCN(C)C ec5ebd7a403a45eadc9cad461d333fc2 [0,0,1,0,0,1|1,0,0]=3 1479 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,0,1,0,0,1|1,0,0]=3 1480 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,0,1,0,0,1|1,0,0]=3 1481 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,0,1,0,0,1|0,0,0]=2 1482 B8R0.28 CC(=O)COCC(F)F 1c8a3357ef90b18ca0f3f98579cdfed3 [0,0,1,0,0,1|2,0,0]=4 1483 B8R0.28 CC(=O)COCN(C)C 0fabcf829b746355f1de3762558cb13f [0,0,1,0,0,1|1,0,0]=3 1484 B8R0.28 CC(=O)NCC=C(C)C 7c7868b44759d01e31a9aacecfcd8b3c [0,0,1,0,0,1|0,0,2]=4 1485 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,0,1,0,0,1|0,0,0]=2 1486 B8R0.28 CC(=O)NCCC(C)O 9f83d99fdee0bda30ff85f31b4ee4b24 [0,0,1,0,0,1|1,0,0]=3 1487 B8R0.28 CC(=O)NCCC(F)F 4173536c2fddb4363b9de4250b8bab34 [0,0,1,0,0,1|2,0,0]=4 1488 B8R0.28 CC(=O)NCCN(C)C 4d10f56d353a729da2aad8b96e7ef495 [0,0,1,0,0,1|1,0,0]=3 1489 B8R0.28 CC(=O)NCCS(=O)C f793348c68f8cf140d26df72f9958533 [0,0,1,0,0,1|2,0,0]=4 1490 B8R0.28 CC(=O)NCC[C@@H](C)O 40ba395f3243b6aab3575e45be2f2594 [0,0,1,0,0,1|1,0,0]=3 1491 B8R0.28 CC(=O)NCC[C@H](C)O ac547764dcce609b723a03cd4268cf9c [0,0,1,0,0,1|1,0,0]=3 1492 B8R0.28 CC(=O)NCOC(C)C 05afe8e43df805f9cf6a2136caacdf0b [0,0,1,0,0,1|1,0,0]=3 1493 B8R0.28 CC(=O)OCOC(C)C b15362469d0253806d0b351da68c3f40 [0,0,1,0,0,1|1,0,0]=3 1494 B8R0.28 CC(C)CCNC(C)C 7494529b9d27c9f6ef5f9f55fd6105c5 [0,0,1,0,0,1|1,0,1]=4 1495 B8R0.28 CC(C)CCOC(C)C 7a47406221ef3ef784e2240c7ab399c4 [0,0,1,0,0,1|1,0,1]=4 1496 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,0,1,0,0,1|1,0,0]=3 1497 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,0,1,0,0,1|1,0,0]=3 1498 B8R0.28 CC(C)CNCC(C)C 7f823540f830bc89c74acb4f018c9b6c [0,0,1,0,0,1|1,0,1]=4 1499 B8R0.28 CC(C)CNCC(C)O f8d531c214571702a8653351806334e8 [0,0,1,0,0,1|0,0,2]=4 1500 B8R0.28 CC(C)CNCN(C)C fb7b67963e6a590a3b16db5d2afed010 [0,0,1,0,0,1|2,0,0]=4 1501 B8R0.28 CC(C)CNC[C@@H](C)O 4626559d474fbd5d133e353e8138e591 [0,0,1,0,0,1|0,0,2]=4 1502 B8R0.28 CC(C)CNC[C@H](C)O 5c0fd92b864c5a52f9fd6fbeaf433485 [0,0,1,0,0,1|0,0,2]=4 1503 B8R0.28 CC(C)CNC[N+](=O)[O-] e5f388f51900fde81f64a7b5204f667c [0,0,1,0,0,1|2,0,0]=4 1504 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,0,1,0,0,1|1,0,0]=3 1505 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,0,1,0,0,1|1,0,0]=3 1506 B8R0.28 CC(C)COCC(=S)N 55b2e4b0740851f871d2f97589a87dae [0,0,1,0,0,1|1,1,0]=4 1507 B8R0.28 CC(C)COCC(C)C 199edbdb51e3ed348bc1a35b4ae873c9 [0,0,1,0,0,1|1,0,1]=4 1508 B8R0.28 CC(C)COCC(C)F a66e1ec68f7e13e5c9812ea43cf4369d [0,0,1,0,0,1|1,0,1]=4 1509 B8R0.28 CC(C)COCC(C)S 6816b86f4b07b53468cd0147246ea320 [0,0,1,0,0,1|0,1,1]=4 1510 B8R0.28 CC(C)COCN(C)C 4ead049dc2c7ca6012fe2398a0b231a3 [0,0,1,0,0,1|2,0,0]=4 1511 B8R0.28 CC(C)COCS(=O)O 28c686504a6dcd9fda3dd07e4e3670ff [0,0,1,0,0,1|2,0,0]=4 1512 B8R0.28 CC(C)COC[C@@H](C)F 2147fd6515da5d3b6c82536464558a58 [0,0,1,0,0,1|1,0,1]=4 1513 B8R0.28 CC(C)COC[C@H](C)F a65b66ec2a619d6bfcf57ffeb08d4ae2 [0,0,1,0,0,1|1,0,1]=4 1514 B8R0.28 CC(C)COC[N+](=O)[O-] 47f94b331a22180dd9beb857af40f67d [0,0,1,0,0,1|2,0,0]=4 1515 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,0,1,0,0,1|1,0,0]=3 1516 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,0,1,0,0,1|1,0,0]=3 1517 B8R0.28 CC(C)NCCC(=S)N dd4f1fea922619b4f6e264931f2d243c [0,0,1,0,0,1|1,1,0]=4 1518 B8R0.28 CC(C)NCCN(C)C 3587673bc602a122c7aa851e7b114a72 [0,0,1,0,0,1|2,0,0]=4 1519 B8R0.28 CC(C)NCCS(=O)C 98cd73f96f71cf5f44c565cd7f7e7b57 [0,0,1,0,0,1|1,0,0]=3 1520 B8R0.28 CC(C)NCCS(=O)O 263a3deff9fb38c3a098f5239db29a80 [0,0,1,0,0,1|2,0,0]=4 1521 B8R0.28 CC(C)NCC[C@@H](C)O 22fd34c721310950afa2eb5fa7b9be25 [0,0,1,0,0,1|0,0,2]=4 1522 B8R0.28 CC(C)NCC[C@H](C)O 49b6367cd8f92ec1d9eb4f55dcad194e [0,0,1,0,0,1|0,0,2]=4 1523 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,0,1,0,0,1|1,0,0]=3 1524 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,0,1,0,0,1|1,0,0]=3 1525 B8R0.28 CC(C)OCCN(C)C 6c602b3dc442436bc851647f33dca792 [0,0,1,0,0,1|2,0,0]=4 1526 B8R0.28 CC(C)OCCS(=O)C 9f44a2155f1463de437cc5b5f1a51c9f [0,0,1,0,0,1|1,0,0]=3 1527 B8R0.28 CC(C)OCC[N+](=O)[O-] 2fa45c3a4a072eea01604f0243815c5a [0,0,1,0,0,1|2,0,0]=4 1528 B8R0.28 CC(C)OCNC(=O)N 225bdba254c9e931f9fcb99b6f0644ed [0,0,1,0,0,1|2,0,0]=4 1529 B8R0.28 CC(C)OCSC(=O)N 456704dc0d4b427a59e70e240701dde0 [0,0,1,0,0,1|2,0,0]=4 1530 B8R0.28 CC(F)COCC(=O)N e9a9dcc4f520190840a7681321655420 [0,0,1,0,0,1|2,0,0]=4 1531 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [0,0,1,0,0,1|2,0,0]=4 1532 B8R0.28 CC(O)CCNC(C)C c17e7a58f1e2a686463daf8ba7d1a0e5 [0,0,1,0,0,1|0,0,2]=4 1533 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,0,1,0,0,1|2,0,0]=4 1534 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,0,1,0,0,1|2,0,0]=4 1535 B8R0.28 CC(S)COCC(=O)N 82763365c9d88e903f647e90bafc9568 [0,0,1,0,0,1|2,0,0]=4 1536 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [0,0,1,0,0,1|2,0,0]=4 1537 B8R0.28 CN(C)CNCC(=O)N 61dc06082070ca26d637fe3f6c04d6ee [0,0,1,0,0,1|2,0,0]=4 1538 B8R0.28 CN(C)CNCC(=O)O e6fa8314318b79cfd8ae4ca00ea3b758 [0,0,1,0,0,1|2,0,0]=4 1539 B8R0.28 CN(C)COCC(=O)N 419913c96364efa4322cd65a17692db0 [0,0,1,0,0,1|2,0,0]=4 1540 B8R0.28 CN(C)COCC(=O)O fc3ba42b9747b2743ad7eda51803bfcf [0,0,1,0,0,1|2,0,0]=4 1541 B8R0.28 C[C@@H](F)COCC(=O)N 26ec5b6c1520beb81cb66bb9beb36fee [0,0,1,0,0,1|2,0,0]=4 1542 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [0,0,1,0,0,1|2,0,0]=4 1543 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,0,1,0,0,1|2,0,0]=4 1544 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,0,1,0,0,1|2,0,0]=4 1545 B8R0.28 C[C@H](F)COCC(=O)N 7c480ef07c1a9a0730d837d631e998ff [0,0,1,0,0,1|2,0,0]=4 1546 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [0,0,1,0,0,1|2,0,0]=4 1547 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,0,1,0,0,1|2,0,0]=4 1548 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,0,1,0,0,1|2,0,0]=4