0 B8R0.28 C/C(=C/COC(C)C)/Cl 7fe9c64c45a9d920627e606e5c16e8c0 [0,0,0,0,0,0|2,1,1]=4 1 B8R0.28 C/C(=C/COC(C)C)/I bf083f5e2b495d1222df4302aafc9da1 [0,0,0,0,0,0|2,1,1]=4 2 B8R0.28 C/C(=C\COC(C)C)/Cl 3d631fcefff4d6e9b8b38f0d9e660ac1 [0,0,0,0,0,0|2,1,1]=4 3 B8R0.28 C=C(C)CCNC(=O)C aad0094172f39db5c54a5f1ed27a8fb8 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.28 C=C(C)CCNC(C)C 743b41619695d9f1ae0496c6310ea6bc [0,0,0,0,0,0|3,0,1]=4 5 B8R0.28 C=C(C)CCOC(C)C 69cc10ae5801e38a3d14074626c7f435 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.28 C=C(C)CNCC(=O)C 78f45c6f7509cf460bc1a071e894d38c [0,0,0,0,0,0|2,0,2]=4 7 B8R0.28 C=C(C)COCC(=O)C 3742b2df3a9a917d85dc43f50a8243d8 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.28 CC(=CCNC(C)C)C 4bc1ccab37d407a99a9990c7578b5199 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.28 CC(=CCOC(C)C)C e629491c9d8565cece6e7fc625997c17 [0,0,0,0,0,0|1,1,1]=3 10 B8R0.28 CC(=CCOC(C)C)Cl a39ef05b023be2dade9da17dfad18eaf [0,0,0,0,0,0|2,1,1]=4 11 B8R0.28 CC(=CCOC(C)C)I 01c05b5dfce2ec79ecfc68549232c0d8 [0,0,0,0,0,0|2,1,1]=4 12 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.28 CC(=O)CNCN(C)C ec5ebd7a403a45eadc9cad461d333fc2 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,0,0,0,0,0|2,0,2]=4 16 B8R0.28 CC(=O)COCN(C)C 0fabcf829b746355f1de3762558cb13f [0,0,0,0,0,0|3,0,1]=4 17 B8R0.28 CC(=O)NCC=C(C)C 7c7868b44759d01e31a9aacecfcd8b3c [0,0,0,0,0,0|1,0,0]=1 18 B8R0.28 CC(=O)NCCC(=O)N 827b1ffc457a73bdad9dad1a9ea1d8a3 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.28 CC(=O)NCCC(=S)N 80570d0c786305766e6afa5b1bb610c3 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,0,0,0,0,0|1,0,2]=3 21 B8R0.28 CC(=O)NCCC(C)O 9f83d99fdee0bda30ff85f31b4ee4b24 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.28 CC(=O)NCCN(C)C 4d10f56d353a729da2aad8b96e7ef495 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.28 CC(=O)NCCS(=O)C f793348c68f8cf140d26df72f9958533 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.28 CC(=O)NCC[C@@H](C)O 40ba395f3243b6aab3575e45be2f2594 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.28 CC(=O)NCC[C@H](C)O ac547764dcce609b723a03cd4268cf9c [0,0,0,0,0,0|2,0,2]=4 26 B8R0.28 CC(=O)NCOC(C)C 05afe8e43df805f9cf6a2136caacdf0b [0,0,0,0,0,0|2,0,1]=3 27 B8R0.28 CC(=O)OCOC(C)C b15362469d0253806d0b351da68c3f40 [0,0,0,0,0,0|1,1,1]=3 28 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,0,0,0,0,0|3,0,1]=4 29 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.28 CC(C)NCCS(=O)C 98cd73f96f71cf5f44c565cd7f7e7b57 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.28 CC(C)OCCS(=O)C 9f44a2155f1463de437cc5b5f1a51c9f [0,0,0,0,0,0|3,0,1]=4 34 B8R0.28 CC(C)OCNC(=O)N 225bdba254c9e931f9fcb99b6f0644ed [0,0,0,0,0,0|3,0,1]=4 35 B8R0.28 CC(C)OCSC(=O)N 456704dc0d4b427a59e70e240701dde0 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.4 C/C=C/COC(C)C 9aa0010d7f93a3506d4a773cf3ec644e [1,0,0,0,0,0|1,1,1]=4 37 B7R0.4 C/C=C\COC(C)C 0fabad7d11b4d0a5e5a55e0264bdae1c [1,0,0,0,0,0|1,1,1]=4 38 B7R0.4 C=C(C)CCNC=O 4d615a3112b965fa05f258614a56fe4d [1,0,0,0,0,0|1,0,2]=4 39 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.4 CC#CCNC(=O)C 0b9b1f8c1419bc28dc48ec1c6507ca3d [1,0,0,0,0,0|1,0,2]=4 41 B7R0.4 CC(=CCNC#N)C ed07a272cd53894f79d915dff9a45ef7 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.4 CC(=CCNC=O)C aa6f8132c2b4d81390aba70f51f750c7 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.4 CC(=CCNCF)C 3984891f07cfe78b7ee7bd273d4f999d [1,0,0,0,0,0|2,0,1]=4 44 B7R0.4 CC(=CCNCO)C cd77ec809019dfe355bce493304b24df [1,0,0,0,0,0|1,0,2]=4 45 B7R0.4 CC(=CCOCF)C c25b592aef4d9f50b5494c475de951b8 [1,0,0,0,0,0|1,1,1]=4 46 B7R0.4 CC(C)CCNC=O 8fb8d2f77b8e7548ff10a901f65a6a2b [1,0,0,0,0,0|1,0,2]=4 47 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [1,0,0,0,0,0|2,0,1]=4 48 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.4 CC=CCNC(C)C fbbab91c5c0fa912c14bc0d774686380 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.4 CC=CCOC(C)C 1ffcebdd116c02bae4b2efc3a6b36695 [1,0,0,0,0,0|1,1,1]=4 51 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [1,0,0,0,0,0|1,0,2]=4 52 B7R0.4 CCNCC=C(C)C babbecd9a4b03d10475bf665994a7cc4 [1,0,0,0,0,0|1,0,1]=3 53 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [1,0,0,0,0,0|1,1,1]=4 54 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [1,0,0,0,0,0|1,1,1]=4 55 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [1,0,0,0,0,0|0,1,1]=3 56 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [1,0,0,0,0,0|1,1,1]=4 57 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.4 CN(C)CCNC=O f6c5ad5f38b9716c3e69f7010da88e20 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [1,0,0,0,0,0|2,0,1]=4 61 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [1,0,0,0,0,0|2,0,1]=4 62 B9R0.1 C#CC(=O)NCC=C(C)C cbbb18f53ff0297b6564bcc6837087d8 [0,1,0,0,0,0|1,0,1]=3 63 B9R0.1 C#CC(C)NCC=C(C)C db6542d31c6fc01c012b3cd3081f61fc [0,1,0,0,0,0|2,0,1]=4 64 B9R0.1 C#CC(C)OCC=C(C)C 19278a298cee3be28a43e4b613a0f3ae [0,1,0,0,0,0|1,1,1]=4 65 B9R0.1 C#C[C@@H](C)NCC=C(C)C 237c2275a26a34cc926f7012b9c5dcec [0,1,0,0,0,0|2,0,1]=4 66 B9R0.1 C#C[C@@H](C)OCC=C(C)C fe88fc19aedf9458e6da47ae43b29e73 [0,1,0,0,0,0|1,1,1]=4 67 B9R0.1 C#C[C@H](C)NCC=C(C)C 3e164a58648f09586712ca950945f4d5 [0,1,0,0,0,0|2,0,1]=4 68 B9R0.1 C#C[C@H](C)OCC=C(C)C a7d3331fb14382ce6866accdaa415b5b [0,1,0,0,0,0|1,1,1]=4 69 B9R0.1 C/C(=C/COC(C)C=O)/Cl 8e1d69213bc7f1f8f99a085684a5086d [0,1,0,0,0,0|1,1,1]=4 70 B9R0.1 C/C(=C/COC(C)C=O)/I 1bfdf82eab1f8618a10301057fd5cd3a [0,1,0,0,0,0|1,1,1]=4 71 B9R0.1 C/C(=C/CO[C@H](C)C=O)/Cl ed67d77a2d160e05bc9b30fc767c5ed6 [0,1,0,0,0,0|1,1,1]=4 72 B9R0.1 C/C(=C/CO[C@H](C)C=O)/I 2c4eb62918468f77e2aac89c47390185 [0,1,0,0,0,0|1,1,1]=4 73 B9R0.1 C/C(=C\COC(C)C=O)/Cl d90142233489c5017d37739b5fca10a5 [0,1,0,0,0,0|1,1,1]=4 74 B9R0.1 C=C(C)CCNC(=O)CC c0849ae324a4527830c5955e89b51c09 [0,1,0,0,0,0|1,0,2]=4 75 B9R0.1 C=C(C)CCNC(=O)CF 97ec382c270aeae27367dc39d9406fa8 [0,1,0,0,0,0|1,0,2]=4 76 B9R0.1 C=C(C)CCNC(=O)CO 34d93ab5ed36ace089117a109aed2076 [0,1,0,0,0,0|1,0,2]=4 77 B9R0.1 C=C(C)CCNC(=O)CS 6ebbb9e0c66818fbcefaad3cd4c54622 [0,1,0,0,0,0|1,0,2]=4 78 B9R0.1 C=C(C=O)OC/C=C(/C)\I 4b3b16f88d3586eaf99834d311b7986f [0,1,0,0,0,0|1,1,1]=4 79 B9R0.1 C=C(C=O)OC/C=C(\C)/Cl 155a22b06f1038f8e85688f37b260070 [0,1,0,0,0,0|1,1,1]=4 80 B9R0.1 C=C(C=O)OCC=C(C)C 6008f7318086feb5021c24f930d72e39 [0,1,0,0,0,0|0,1,1]=3 81 B9R0.1 C=C(C=O)OCC=C(C)Cl 531105a3ade751628e822838bf4e19d9 [0,1,0,0,0,0|1,1,1]=4 82 B9R0.1 C=C(C=O)OCC=C(C)I bd1fdd51fb4f338e5e0393e36affbaa6 [0,1,0,0,0,0|1,1,1]=4 83 B9R0.1 C=CC(=O)NCC=C(C)C 256f5da9498fddbe2d5756905944a6d0 [0,1,0,0,0,0|1,0,1]=3 84 B9R0.1 C=CC(C)NCC=C(C)C 64c69f10631d80367b5d4c3b07502c83 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.1 C=CC(C)OCC=C(C)C 20e5319a9490769669161ba7f8adf99c [0,1,0,0,0,0|1,1,1]=4 86 B9R0.1 C=C[C@H](C)OCC=C(C)C 69f4fcf4cf471c0af125a25ed710522a [0,1,0,0,0,0|1,1,1]=4 87 B9R0.1 CC(=CCNC(=O)C=O)C a7df181c4e1308145b4511ca1623989d [0,1,0,0,0,0|1,0,1]=3 88 B9R0.1 CC(=CCNC(=O)CF)C d0bc0829b1f989a69241141af627b343 [0,1,0,0,0,0|1,0,0]=2 89 B9R0.1 CC(=CCNC(=O)CO)C 99de69a27f56e0717a5c36bd796a7f00 [0,1,0,0,0,0|1,0,0]=2 90 B9R0.1 CC(=CCNC(=O)CS)C e1823bc2d00a9ddbd61d584a80961b52 [0,1,0,0,0,0|1,0,0]=2 91 B9R0.1 CC(=CCNC(C)C#N)C 6ee8ac7098e289d085d927600cbc3732 [0,1,0,0,0,0|2,0,1]=4 92 B9R0.1 CC(=CCNC(C)C=O)C 2a952bc34b30add8a3ec26dd2cce4d5d [0,1,0,0,0,0|1,0,1]=3 93 B9R0.1 CC(=CCNC(C)CO)C 1760657284de2107a87809cc1e9a31b4 [0,1,0,0,0,0|1,0,2]=4 94 B9R0.1 CC(=CCN[C@@H](C)CO)C 503550882df668804141809f00d65a83 [0,1,0,0,0,0|1,0,2]=4 95 B9R0.1 CC(=CCN[C@H](C)C=O)C 43df98502fba49cf5e9b21eae36020a2 [0,1,0,0,0,0|1,0,1]=3 96 B9R0.1 CC(=CCN[C@H](C)CO)C 149395f83d23fe72fd897f35f46036ff [0,1,0,0,0,0|1,0,2]=4 97 B9R0.1 CC(=CCOC(C)C#N)C afc52edab140b4d4c9344e56c2474ee2 [0,1,0,0,0,0|1,1,1]=4 98 B9R0.1 CC(=CCOC(C)C=O)C ffabf62222c7948c9bb7c4ad6c5785e7 [0,1,0,0,0,0|0,1,1]=3 99 B9R0.1 CC(=CCOC(C)C=O)Cl 5f063ab60462a0a4bebdaed37c0cdfd0 [0,1,0,0,0,0|1,1,1]=4 100 B9R0.1 CC(=CCOC(C)C=O)I 03c728d01a28d5a9376f24d4e70a15e0 [0,1,0,0,0,0|1,1,1]=4 101 B9R0.1 CC(=CCOC(C)CF)C 75ff53c5111656ca303f696ecd863da0 [0,1,0,0,0,0|1,1,1]=4 102 B9R0.1 CC(=CCOC(C)CS)C 9862585ed0092050348a8368f81059b3 [0,1,0,0,0,0|0,2,1]=4 103 B9R0.1 CC(=CCO[C@H](C)C=O)C 76a443559fa42b1539c8aaf9163b966c [0,1,0,0,0,0|0,1,1]=3 104 B9R0.1 CC(=CCO[C@H](C)C=O)I 617e5c200a41fb8059d903be24ca1f74 [0,1,0,0,0,0|1,1,1]=4 105 B9R0.1 CC(=CCO[C@H](C)CS)C 2da706d5345c29b10ceebd436543821b [0,1,0,0,0,0|0,2,1]=4 106 B9R0.1 CC(=O)CCNC(C)CO 01ba95f6b1e359cb3c703695e54af8f9 [0,1,0,0,0,0|2,0,1]=4 107 B9R0.1 CC(=O)CCN[C@@H](C)CO cfee917e546e694eb8cfec1ddb21f4ff [0,1,0,0,0,0|2,0,1]=4 108 B9R0.1 CC(=O)CCN[C@H](C)CO 6a8f8df3011cfcce7cd31192a422cdd8 [0,1,0,0,0,0|2,0,1]=4 109 B9R0.1 CC(=O)CCOC(C)CF 2b40c92c280f522bdc6bcc23530c56f2 [0,1,0,0,0,0|2,0,1]=4 110 B9R0.1 CC(=O)CCOC(C)CS 727af9312bf0bae1f3dfb371a20f5514 [0,1,0,0,0,0|2,0,1]=4 111 B9R0.1 CC(=O)CCO[C@H](C)CS ca9c10e49fb951095de6ae1c1ca5c0e6 [0,1,0,0,0,0|2,0,1]=4 112 B9R0.1 CC(=O)NCCC(C)CO bebfc27f0403b0ff17a662d28cff0e43 [0,1,0,0,0,0|1,0,2]=4 113 B9R0.1 CC(=O)NCC[C@@H](C)CO caf7a94637e8711be8cab6e4c356b0b6 [0,1,0,0,0,0|1,0,2]=4 114 B9R0.1 CC(=O)OCNC(C)CO 76053288c472e8736169c869174d9dc3 [0,1,0,0,0,0|1,1,1]=4 115 B9R0.1 CC(=O)OCN[C@@H](C)CO 68403b70a82968dbe1b7522f781c5509 [0,1,0,0,0,0|1,1,1]=4 116 B9R0.1 CC(=O)OCN[C@H](C)CO 008f51ea2e0cae1cf2db292c7d138dfd [0,1,0,0,0,0|1,1,1]=4 117 B9R0.1 CC(=O)OCOC(C)CF a5e979ebacdbe532aeb2dcf04f90f101 [0,1,0,0,0,0|1,1,1]=4 118 B9R0.1 CC(=O)OCOC(C)CS 1fb13d69d3259da5f281e5d0f3dd8413 [0,1,0,0,0,0|1,1,1]=4 119 B9R0.1 CC(=O)OCO[C@H](C)CS 0166b5f40ddcbd81555f2e3e10f08ecd [0,1,0,0,0,0|1,1,1]=4 120 B9R0.1 CC(C)CCNC(=O)CF ae30f120fb51a70967c828ddab28084f [0,1,0,0,0,0|1,0,2]=4 121 B9R0.1 CC(C)CCNC(=O)CO fccf2f1416923531307bedc30f22484d [0,1,0,0,0,0|1,0,2]=4 122 B9R0.1 CC(C)CCNC(=O)CS 9b985f09b4180fe941275afc381f1265 [0,1,0,0,0,0|1,0,2]=4 123 B9R0.1 CC(CF)OCSC(=O)N a30aaa929550ad3346699b7af68be5dd [0,1,0,0,0,0|2,0,1]=4 124 B9R0.1 CC(CO)NCSC(=O)N a7cc03e721340bfc080e2f154fc627f0 [0,1,0,0,0,0|2,0,1]=4 125 B9R0.1 CC(CS)OCSC(=O)N d3eb1834933b6123d6843ad137121ed4 [0,1,0,0,0,0|2,0,1]=4 126 B9R0.1 CCC(=O)NCC=C(C)C c2665bdc8bcdfc26f7fdadaaa40a72a8 [0,1,0,0,0,0|1,0,0]=2 127 B9R0.1 CCC(=O)NCCC(C)C 15f0ff154b73608d9b867dc114dba5c0 [0,1,0,0,0,0|1,0,2]=4 128 B9R0.1 CCC(=O)NCCN(C)C 3fd654a68244f1306eb040b308a88ab5 [0,1,0,0,0,0|2,0,1]=4 129 B9R0.1 CCC(=O)OCOC(C)C d2041b130de2bcfd6163156695ed2b3c [0,1,0,0,0,0|1,1,1]=4 130 B9R0.1 CCC(C)CCNC(=O)C 2da423144efbc22bf5c1e3503bb1535e [0,1,0,0,0,0|1,0,2]=4 131 B9R0.1 CCC(C)NCC=C(C)C a2f44659c461ef615ce082ecc587ff75 [0,1,0,0,0,0|2,0,1]=4 132 B9R0.1 CCC(C)NCCC(=O)C 553b77e78208b9e578091ff5b7a7dbdb [0,1,0,0,0,0|2,0,1]=4 133 B9R0.1 CCC(C)NCOC(=O)C 23aa0ac2e47ba04a5a139a2e1c0bf0de [0,1,0,0,0,0|1,1,1]=4 134 B9R0.1 CCC(C)NCSC(=O)N 99818846aaffb2d6958455e86b9a4762 [0,1,0,0,0,0|2,0,1]=4 135 B9R0.1 CCC(C)OCC=C(C)C f1a856dad648c67c3199ced8e645ed40 [0,1,0,0,0,0|1,1,1]=4 136 B9R0.1 CCC(C)OCCC(=O)C 3c4819c84edde006647b7f4661484ff1 [0,1,0,0,0,0|2,0,1]=4 137 B9R0.1 CCC(C)OCNC(=O)C 8183d13cbf9d8c857b25fb9915a8e602 [0,1,0,0,0,0|2,0,1]=4 138 B9R0.1 CCC(C)OCOC(=O)C f818c8d88ded73092c135f186b34a6ed [0,1,0,0,0,0|1,1,1]=4 139 B9R0.1 CCC(C)OCSC(=O)N 10be0faea3701cb21a8b6267ba5f766e [0,1,0,0,0,0|2,0,1]=4 140 B9R0.1 CCN(C)CCC=C(C)C 232ba2d38b136f9ab79e69d0e197cb22 [0,1,0,0,0,0|3,0,0]=4 141 B9R0.1 CCN(C)CCCC(=O)C 41478ee9c5261856d551150317f5e6d2 [0,1,0,0,0,0|2,0,1]=4 142 B9R0.1 CCN(C)CCNC(=O)C 8261fd541df04ed3dee9f95b587853cd [0,1,0,0,0,0|2,0,1]=4 143 B9R0.1 CCN(C)CCOC(=O)C 2e72695c8766aa8c6dd0fb8fcaa7e65d [0,1,0,0,0,0|1,1,1]=4 144 B9R0.1 CCN(C)CCSC(=O)C 6e1d069dc9e4f41572e9ef79797ac9c0 [0,1,0,0,0,0|1,0,1]=3 145 B9R0.1 CC[C@@H](C)NCC=C(C)C 9805440ec95291712dd9e091ff4d0ac8 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.1 CC[C@@H](C)NCCC(=O)C ee2823585fbc4d880fa3f68fe921eb3d [0,1,0,0,0,0|2,0,1]=4 147 B9R0.1 CC[C@@H](C)NCOC(=O)C a711d08f12460f2a76c41395ffc9ec65 [0,1,0,0,0,0|1,1,1]=4 148 B9R0.1 CC[C@@H](C)NCSC(=O)N 4296f6a08650c5d681b93398b84c69ae [0,1,0,0,0,0|2,0,1]=4 149 B9R0.1 CC[C@@H](C)OCC=C(C)C e4a6022f8d02a4c12c0cd2cf54a88045 [0,1,0,0,0,0|1,1,1]=4 150 B9R0.1 CC[C@@H](C)OCCC(=O)C 49267d242cdea675a244728a918e9b2e [0,1,0,0,0,0|2,0,1]=4 151 B9R0.1 CC[C@@H](C)OCOC(=O)C 65fc54324ee0a95629ae5ef18322eb78 [0,1,0,0,0,0|1,1,1]=4 152 B9R0.1 CC[C@@H](C)OCSC(=O)N 3b0c60f54d867c23b33abb1c316c2aca [0,1,0,0,0,0|2,0,1]=4 153 B9R0.1 CC[C@H](C)NCC=C(C)C c96aecba3a4b1c0206c17da9f4870ccc [0,1,0,0,0,0|2,0,1]=4 154 B9R0.1 CC[C@H](C)NCCC(=O)C 5a9b435e46c65397c3b77d227f6c8d6d [0,1,0,0,0,0|2,0,1]=4 155 B9R0.1 CC[C@H](C)NCOC(=O)C ec462d5afb28a22cfec47297688b8d5f [0,1,0,0,0,0|1,1,1]=4 156 B9R0.1 CC[C@H](C)NCSC(=O)N d95b5607ccbac595df027faddf664742 [0,1,0,0,0,0|2,0,1]=4 157 B9R0.1 CC[C@H](C)OCC=C(C)C d2053192ca51a631dfb1bf706824d85b [0,1,0,0,0,0|1,1,1]=4 158 B9R0.1 CC[C@H](C)OCCC(=O)C 57f743174dad87e641f434790222523a [0,1,0,0,0,0|2,0,1]=4 159 B9R0.1 CC[C@H](C)OCOC(=O)C f590ede741d93a99ae3c6a1bb1672402 [0,1,0,0,0,0|1,1,1]=4 160 B9R0.1 CC[C@H](C)OCSC(=O)N 26fb1e031263c83f28320f3d7239855b [0,1,0,0,0,0|2,0,1]=4 161 B9R0.1 CN(C)CCNC(=O)CF f1e626ee6a191f90f8bdc9089bd94f7d [0,1,0,0,0,0|2,0,1]=4 162 B9R0.1 CN(C)CCNC(=O)CO dea4c98f6a4d3fbcbf88cdb0e163e84f [0,1,0,0,0,0|2,0,1]=4 163 B9R0.1 CN(C)CCNC(=O)CS 739f64b4520f33214b510a14f21f5bab [0,1,0,0,0,0|2,0,1]=4 164 B9R0.1 CNC(=O)CCNC(=O)C f3a3033dad8e1aab7fc770fc0743d310 [0,1,0,0,0,0|2,0,1]=4 165 B9R0.1 CNC(=O)CCNC(C)C 855f87f986c161aee85af79de8272fed [0,1,0,0,0,0|2,0,1]=4 166 B9R0.1 CNC(=O)CCOC(C)C 6a47444c5a2c07745f4f7dfd64d3b1d6 [0,1,0,0,0,0|2,0,1]=4 167 B9R0.1 COC(=O)CCNC(=O)C e469e5b7d171861926dc52d0d008b43a [0,1,0,0,0,0|2,0,1]=4 168 B9R0.1 COC(=O)CCNC(C)C cca84c56a4f78d735d44ac567d8c7043 [0,1,0,0,0,0|2,0,1]=4 169 B9R0.1 COC(=O)CCOC(C)C 60b3b0e4ed197bd9b785527450b784a6 [0,1,0,0,0,0|2,0,1]=4 170 B9R0.1 COC(=O)OCOC(C)C 251eb519e02d8d49a94916f622d830be [0,1,0,0,0,0|1,1,1]=4 171 B9R0.1 C[C@@H](CO)NCSC(=O)N 1f91c2772e5ac2a2bdfb3044758a38ec [0,1,0,0,0,0|2,0,1]=4 172 B9R0.1 C[C@H](CO)NCSC(=O)N 6b3cba2db784fea63cd80b279b8c8884 [0,1,0,0,0,0|2,0,1]=4 173 B9R0.1 C[C@H](CS)OCSC(=O)N 7b21992cd5b638bbb1e4b23fd957ad40 [0,1,0,0,0,0|2,0,1]=4 174 B9R0.7 C=C(C)C(=O)NCC(=O)C 8dd3fae3fe2a44083754a0af37142576 [0,1,0,0,0,0|2,0,1]=4 175 B9R0.7 CC(=CCN(C)C(C)C)C 98b1d7a7547225ad311472cefc65bb18 [0,1,0,0,0,0|2,0,1]=4 176 B9R0.7 CC(=O)C(=O)COC(C)C 54d4688b93c903c69f0b1be1e953d6a6 [0,1,0,0,0,0|2,0,1]=4 177 B9R0.7 CC(=O)C(C)COC(C)C 1df3af33bb10f4130bd5a1f178c7f9bf [0,1,0,0,0,0|2,0,1]=4 178 B9R0.7 CC(=O)CCN(C)C(C)C 953e9eb410ac9c63c02a43039dc6096e [0,1,0,0,0,0|2,0,1]=4 179 B9R0.7 CC(=O)CNC(=O)C(=O)C 3a5c25d3d66f29fd93aadc7437873a63 [0,1,0,0,0,0|3,0,0]=4 180 B9R0.7 CC(=O)N(C)CCC(C)C 03460f6ce3739b97dbe7cb48c9ad3fa8 [0,1,0,0,0,0|1,0,2]=4 181 B9R0.7 CC(=O)N(C)CCN(C)C 0a555203862ba23ae43e50cdeba6d1b7 [0,1,0,0,0,0|2,0,1]=4 182 B9R0.7 CC(=O)NCC(=O)N(C)C 728ab76dac26ac01dc3ab295135b48d7 [0,1,0,0,0,0|2,0,0]=3 183 B9R0.7 CC(=O)NCC(C)N(C)C 985e7b721e2dd08706acb6db4f58999a [0,1,0,0,0,0|2,0,1]=4 184 B9R0.7 CC(=O)NCC(O)C(C)C 9eb894e521c6def6d6887ec5adad728c [0,1,0,0,0,0|1,0,2]=4 185 B9R0.7 CC(=O)OCN(C)C(C)C d1ebe6c410268e0baa452260763bf686 [0,1,0,0,0,0|1,1,1]=4 186 B9R0.53 CC(=O)NC(C)CC(C)C 8d45cf038526f1f1b21f03625b96bc5a [0,1,0,0,0,0|1,0,2]=4 187 B9R0.53 CC(=O)NC(C)CN(C)C 080d07f4f5beebe3409fa257fb59297b [0,1,0,0,0,0|2,0,1]=4 188 B9R0.53 CC(=O)N[C@@H](C)CN(C)C 43014c5d20c5c62fe7948d957118d7da [0,1,0,0,0,0|2,0,1]=4 189 B9R0.53 CC(=O)N[C@H](C)CN(C)C 5230f06fe9ab231ef1d6e54a2b222624 [0,1,0,0,0,0|2,0,1]=4 190 B9R0.53 CC(=O)OC(C)OC(C)C 15386f8b89c66ca0048e9c86cc06f7a3 [0,1,0,0,0,0|1,1,1]=4 191 B9R0.56 CC(=CCNC(C)(C)C)C bc5f6fe8c4fb0c67e01dfc2650e35d9b [0,1,0,0,0,0|2,0,1]=4 192 B9R0.56 CC(=O)CCNC(C)(C)C b023779b0c0e2fe6baca0495d01629b4 [0,1,0,0,0,0|2,0,1]=4 193 B9R0.56 CC(=O)NCCC(C)(C)C f95154014d81ef922c5c8e15b85f55af [0,1,0,0,0,0|1,0,2]=4 194 B9R0.56 CC(=O)NCCC(C)(C)F 3cd44a4c80393044cdba6a12ba4f030d [0,1,0,0,0,0|1,0,2]=4 195 B9R0.56 CC(=O)NCCC(C)(C)O 09bac841bd2153dd8b07a31d7318af00 [0,1,0,0,0,0|1,0,2]=4 196 B9R0.56 CC(=O)OCNC(C)(C)C b83433bb442b5fd68635d3d5756f7cca [0,1,0,0,0,0|1,1,1]=4 197 B9R0.56 CC(C)(C)NCSC(=O)N de3a8e6feba7fddf7a1e361b80cac829 [0,1,0,0,0,0|2,0,1]=4 198 B9R1.35 CC(=O)N1CCC(C1)C 62fae45163ab5fc8df8ad46633eee0ac [0,0,0,1,0,0|1,0,2]=4 199 B9R1.35 CC(=O)N1CCN(C1)C 5a30c81e7d4d94bbb4d67833191502c6 [0,0,0,1,0,0|2,0,1]=4 200 B9R1.35 CC(C)N1CNC(=O)C1 df3ce712d6a54b3ff1bfa9ba9b4c87dc [0,0,0,1,0,0|2,0,1]=4 201 B9R1.53 CC(=O)NC1CN(C1)C 5352a1082a0de910e4849e8a20f416eb [0,0,0,1,0,0|2,0,1]=4 202 B9R1.53 CC(C)OC1CC(=O)C1 8ef8acfdd76ea16ede89418ba392179a [0,0,0,1,0,0|2,0,1]=4 203 B9R1.85 CC(=CCNC1CC1)C b1b347324297aeff6b2fbb81aebedc27 [0,0,0,1,0,0|2,0,1]=4 204 B9R1.85 CC(=CCOC1CC1)C fb2ba3e4640ae727aacf55024545cd2d [0,0,0,1,0,0|1,1,1]=4 205 B9R1.85 CC(=O)CCNC1CC1 47abd95c844e9d1957c333790f465980 [0,0,0,1,0,0|2,0,1]=4 206 B9R1.85 CC(=O)CCOC1CC1 71bcc53c6961c217f2fe0eeac463e457 [0,0,0,1,0,0|2,0,1]=4 207 B9R1.85 CC(=O)NCCC1CC1 e17912b5d20abd22f2eb1736360bbd32 [0,0,0,1,0,0|1,0,2]=4 208 B9R1.85 CC(=O)NCCN1CC1 5a0c4535a5a496142ea1508023641fc9 [0,0,0,1,0,0|2,0,1]=4 209 B9R1.85 CC(=O)NCOC1CC1 70ce6f7c14c837c1b045f23cbea930af [0,0,0,1,0,0|2,0,1]=4 210 B9R1.85 CC(=O)OCNC1CC1 da62e5e32d1f81a77a949f5af5a6b75f [0,0,0,1,0,0|1,1,1]=4 211 B9R1.85 CC(=O)OCOC1CC1 629a62a109941175cd54150945f4f00b [0,0,0,1,0,0|1,1,1]=4 212 B9R1.85 NC(=O)SCNC1CC1 31363d66faf309bf152bf4f8fb990bb1 [0,0,0,1,0,0|2,0,1]=4 213 B9R1.85 NC(=O)SCOC1CC1 a67d6152d32b3e27dc058c54797ca56f [0,0,0,1,0,0|2,0,1]=4 214 B9R1.170 CC(=O)NC1CC1(C)C 61c79b4e42c36bc7a9365ff180f14cdd [0,0,0,1,0,0|1,0,2]=4 215 B9R1.170 CC(=O)N[C@@H]1CC1(C)C eba22b1ed44543f7d679da436f8b8d30 [0,0,0,1,0,0|1,0,2]=4 216 B9R1.170 CC(=O)N[C@H]1CC1(C)C 8c767d53d5dfba1d912673d478483d51 [0,0,0,1,0,0|1,0,2]=4 217 B7R0.6 C=C(Br)CNC(=O)C c92ce6fe27dbf36b4b4cd43120064bb5 [0,0,0,0,1,0|2,0,1]=4 218 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [0,0,0,0,1,0|1,0,1]=3 219 B7R0.6 C=C(C)CNC(C)C a1a7325d3d8a8203023e8236e36cdc1a [0,0,0,0,1,0|2,0,1]=4 220 B7R0.6 C=C(C)COC(C)C 1163708fe8e5f25f773925b58859ae9a [0,0,0,0,1,0|2,0,1]=4 221 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,0,0,0,1,0|2,0,0]=3 222 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,0,0,0,1,0|1,0,1]=3 223 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,0,0,0,1,0|1,0,1]=3 224 B7R0.6 CC(=O)NCC(=O)N 92f9d7b7dd1ea6db16db7dd9d0e64155 [0,0,0,0,1,0|3,0,0]=4 225 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,0,0,0,1,0|1,0,1]=3 226 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,0,0,0,1,0|2,0,1]=4 227 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,0,0,0,1,0|2,0,1]=4 228 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,0,0,0,1,0|2,0,1]=4 229 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,0,0,0,1,0|2,0,1]=4 230 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,0,0,0,1,0|2,0,1]=4 231 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,0,0,0,1,0|2,0,1]=4 232 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,0,0,0,1,0|2,0,1]=4 233 B9R0.55 C/C(=C/CNCC(=O)N)/I 5d470a066c8c57faf5038cc6e9ce73ba [0,0,0,0,0,1|3,0,0]=4 234 B9R0.55 C/C(=C/CNCC(=O)O)/I a76d6dbc0e5328a9b8aa64ebd1b6c194 [0,0,0,0,0,1|3,0,0]=4 235 B9R0.55 C/C(=C/COCC(=O)N)/Cl 2257e3681b28b7cb398fb87f47300a54 [0,0,0,0,0,1|2,1,0]=4 236 B9R0.55 C/C(=C/COCC(=O)N)/I 25cd1c40941989f95e573390a12be3bb [0,0,0,0,0,1|2,1,0]=4 237 B9R0.55 C/C(=C/COCC(=O)O)/Cl bdea4f5aeb03cc258b24f376652d8a21 [0,0,0,0,0,1|2,1,0]=4 238 B9R0.55 C/C(=C/COCC(=O)O)/I 6bfad94351ed127d47214e042271c08e [0,0,0,0,0,1|2,1,0]=4 239 B9R0.55 C/C(=C\CNCC(=O)N)/Cl 12304371a65b52ac9720b5fb05db8623 [0,0,0,0,0,1|3,0,0]=4 240 B9R0.55 C/C(=C\CNCC(=O)O)/Cl 33489f0d342c5536f81ea090a2f820e8 [0,0,0,0,0,1|3,0,0]=4 241 B9R0.55 C/C(=C\COCC(=O)N)/Cl 6dc17a576331b9cff97c1481c7e45adf [0,0,0,0,0,1|2,1,0]=4 242 B9R0.55 C/C(=C\COCC(=O)O)/Cl 4fa34096288c6e1175d96996004a7d69 [0,0,0,0,0,1|2,1,0]=4 243 B9R0.55 C=C(Br)CNCC=C(C)C a1ea9776e1873ee480e34511d4369dbd [0,0,0,0,0,1|2,0,1]=4 244 B9R0.55 C=C(Br)COCC=C(C)C 762745d3e2b28b975da2a9737ee83a8c [0,0,0,0,0,1|1,1,1]=4 245 B9R0.55 C=C(C)CCNCC(=O)C ecc5eaef95bd43b57450b718411d778a [0,0,0,0,0,1|1,0,2]=4 246 B9R0.55 C=C(C)CCOCC(=O)C 674e4ae6886ff1d2fa28b38381f83ac0 [0,0,0,0,0,1|0,1,2]=4 247 B9R0.55 C=C(C)CNC/C=C(/C)\I 7948faf0a2e9bedbb1cf3f6a0f7a31d6 [0,0,0,0,0,1|3,0,0]=4 248 B9R0.55 C=C(C)CNC/C=C(\C)/Cl 1c0fe5b825252bf3093e2e519a8c03c3 [0,0,0,0,0,1|3,0,0]=4 249 B9R0.55 C=C(C)CNCC=C(C)C bdcef6a42cc227f73c7737ab9ecc84a6 [0,0,0,0,0,1|2,0,0]=3 250 B9R0.55 C=C(C)CNCC=C(C)Cl 30431de93617b1f1aa851e8378d00426 [0,0,0,0,0,1|3,0,0]=4 251 B9R0.55 C=C(C)CNCC=C(C)I e779598e144eb62c58a3818fb69a48dd [0,0,0,0,0,1|3,0,0]=4 252 B9R0.55 C=C(C)CNCCC(=O)C 8f02e27a7c607dfc1a5bc61e972fbe37 [0,0,0,0,0,1|1,0,2]=4 253 B9R0.55 C=C(C)CNCOC(=O)C 99ad069ec9b09d4e775e7a2a21599591 [0,0,0,0,0,1|0,1,2]=4 254 B9R0.55 C=C(C)CNCSC(=O)N 2cd73d5ea9cf1a557eb367a42a425930 [0,0,0,0,0,1|1,0,2]=4 255 B9R0.55 C=C(C)COC/C=C(/C)\Cl 6c14f004dd9c0f3c7f1fcbf731776080 [0,0,0,0,0,1|2,1,0]=4 256 B9R0.55 C=C(C)COC/C=C(/C)\I fadf773662f8e4e47b2469c81e3d6597 [0,0,0,0,0,1|2,1,0]=4 257 B9R0.55 C=C(C)COC/C=C(\C)/Cl 543189c3137392f0953894a1baa2f92c [0,0,0,0,0,1|2,1,0]=4 258 B9R0.55 C=C(C)COCC=C(C)C dc611f8656b339597723d3e2ff540ee9 [0,0,0,0,0,1|1,1,0]=3 259 B9R0.55 C=C(C)COCC=C(C)Cl e5645e94434e3f799fc60fa8c179672a [0,0,0,0,0,1|2,1,0]=4 260 B9R0.55 C=C(C)COCC=C(C)I 238696f3bd0b773d14c3749bcb75a7d6 [0,0,0,0,0,1|2,1,0]=4 261 B9R0.55 C=C(C)COCCC(=O)C 70cdb13dc4d6f031583b0aab7b94bdad [0,0,0,0,0,1|1,0,2]=4 262 B9R0.55 C=C(C)COCNC(=O)C 9d3e2eefb9548d3d67bc31e1bb5c4c46 [0,0,0,0,0,1|1,0,2]=4 263 B9R0.55 C=C(C)COCOC(=O)C 76de808df68251924681929e50fc5329 [0,0,0,0,0,1|0,1,2]=4 264 B9R0.55 C=C(C)COCSC(=O)N 513317d38b6835fe8d41ae0bd8ed5095 [0,0,0,0,0,1|1,0,2]=4 265 B9R0.55 C=C(Cl)CNCC=C(C)C 2cdb2f71c1dbb7ff9c2a88d1fa527ef6 [0,0,0,0,0,1|2,0,1]=4 266 B9R0.55 C=C(Cl)COCC=C(C)C 5865c84c4ff02911c8b2131a13e979c9 [0,0,0,0,0,1|1,1,1]=4 267 B9R0.55 C=C(F)CNCC=C(C)C ed33bfe37f1792080c201f3dd853e551 [0,0,0,0,0,1|2,0,1]=4 268 B9R0.55 C=C(F)COCC=C(C)C 70445c3c9b7d56db38d73d8ee707884f [0,0,0,0,0,1|1,1,1]=4 269 B9R0.55 C=C(I)COCC=C(C)C 33f1980dbfb98478e810e3abc8625382 [0,0,0,0,0,1|1,1,1]=4 270 B9R0.55 CC(=CCCOC(C)C)C 301a83615dab289582d19bb6d02e1adc [0,0,0,0,0,1|1,1,1]=4 271 B9R0.55 CC(=CCNCC(=O)N)C f294be375a520a8636b9688190e6e936 [0,0,0,0,0,1|2,0,0]=3 272 B9R0.55 CC(=CCNCC(=O)N)Cl a0e22eb292d81b1b600ec06891d9bc49 [0,0,0,0,0,1|3,0,0]=4 273 B9R0.55 CC(=CCNCC(=O)N)I 6b58cb7c34f6eaf2865e1c1c6b527c06 [0,0,0,0,0,1|3,0,0]=4 274 B9R0.55 CC(=CCNCC(=O)O)C eb2d4cd02024c6dd2f4bde47f5d99d0f [0,0,0,0,0,1|2,0,0]=3 275 B9R0.55 CC(=CCNCC(=O)O)Cl 6d8afa17fed8b33a695b60b47587d586 [0,0,0,0,0,1|3,0,0]=4 276 B9R0.55 CC(=CCNCC(=O)O)I e657b86155224eb6f1335bfe7dfa415c [0,0,0,0,0,1|3,0,0]=4 277 B9R0.55 CC(=CCNCC(C)C)C 5c6576723150ad6f218ce1c1faf48311 [0,0,0,0,0,1|2,0,1]=4 278 B9R0.55 CC(=CCNCC(C)O)C 3490846062747142b22a3d88218be1f6 [0,0,0,0,0,1|1,0,2]=4 279 B9R0.55 CC(=CCNCN(C)C)C 5b9ba6f66ed7bdace48c97aa36c16079 [0,0,0,0,0,1|3,0,0]=4 280 B9R0.55 CC(=CCNC[C@@H](C)O)C 35e541678bca3be7703bc390a2011bf4 [0,0,0,0,0,1|1,0,2]=4 281 B9R0.55 CC(=CCNC[C@H](C)O)C 31d119b2fc9bab8faa139975b601fe3b [0,0,0,0,0,1|1,0,2]=4 282 B9R0.55 CC(=CCNC[N+](=O)[O-])C e3c5a3c869198364e9471b6f743c3c86 [0,0,0,0,0,1|3,0,0]=4 283 B9R0.55 CC(=CCOCC(=O)N)C 651a60c3a1d6fa1f11063ec39a68e8ab [0,0,0,0,0,1|1,1,0]=3 284 B9R0.55 CC(=CCOCC(=O)N)Cl 94c780c1a1b6bd8a8384b3dd69474d0c [0,0,0,0,0,1|2,1,0]=4 285 B9R0.55 CC(=CCOCC(=O)N)I 4b05901808d683f116472fac0f6f8449 [0,0,0,0,0,1|2,1,0]=4 286 B9R0.55 CC(=CCOCC(=O)O)C dd5792ad54701fa0e3373ee19c312e10 [0,0,0,0,0,1|1,1,0]=3 287 B9R0.55 CC(=CCOCC(=O)O)Cl 694c1884a37ad5555ea5d980bc801c56 [0,0,0,0,0,1|2,1,0]=4 288 B9R0.55 CC(=CCOCC(=O)O)I be3e61200a84664bfac9ff931641085e [0,0,0,0,0,1|2,1,0]=4 289 B9R0.55 CC(=CCOCC(=S)N)C 61efb5fc1c51539112632a05112a95ff [0,0,0,0,0,1|1,2,0]=4 290 B9R0.55 CC(=CCOCC(C)C)C cf6675097f885134069eafa3b89fa56a [0,0,0,0,0,1|1,1,1]=4 291 B9R0.55 CC(=CCOCC(C)F)C a7e7698c89b06045a15a1aa746b2b4c8 [0,0,0,0,0,1|1,1,1]=4 292 B9R0.55 CC(=CCOCC(C)S)C 85c3d2c34ddceefbcace42f3a260d071 [0,0,0,0,0,1|0,2,1]=4 293 B9R0.55 CC(=CCOCN(C)C)C 376a56d2d31cfad1210da6692349aec6 [0,0,0,0,0,1|2,1,0]=4 294 B9R0.55 CC(=CCOCS(=O)O)C bba38f5b080fac2ce2c6fa8e5a394197 [0,0,0,0,0,1|2,1,0]=4 295 B9R0.55 CC(=CCOC[C@@H](C)F)C 3bd4b30bcd9ee82276ead29eecdcb741 [0,0,0,0,0,1|1,1,1]=4 296 B9R0.55 CC(=CCOC[C@H](C)F)C 7b7ff6dc44821eda5fdec9ec99f1da55 [0,0,0,0,0,1|1,1,1]=4 297 B9R0.55 CC(=CCOC[N+](=O)[O-])C 80946ba857c9f6a77c9a7c9836cb5480 [0,0,0,0,0,1|2,1,0]=4 298 B9R0.55 CC(=O)CCCOC(C)C ca9590f9812dfe3bbd12d00e8d8da35d [0,0,0,0,0,1|1,0,2]=4 299 B9R0.55 CC(=O)CCNCC(=O)C a214a75957335c42a991001b0d025dcf [0,0,0,0,0,1|2,0,1]=4 300 B9R0.55 CC(=O)CCNCC(C)C 4c46adea65c7a7a18afa0eb496cf810e [0,0,0,0,0,1|1,0,2]=4 301 B9R0.55 CC(=O)CCOCC(=O)C 974441e375e1fad064766c61157f7015 [0,0,0,0,0,1|1,1,1]=4 302 B9R0.55 CC(=O)CCOCC(C)C 9ee5575ae874bec3c1972a6d60564d69 [0,0,0,0,0,1|1,0,2]=4 303 B9R0.55 CC(=O)CCOCN(C)C 358eaca0e312daf92cc8597ceed5c1d1 [0,0,0,0,0,1|2,0,1]=4 304 B9R0.55 CC(=O)CNC/C=C(/C)\I 8fb64e54918c00681e3d99a3c8f3f6e7 [0,0,0,0,0,1|2,0,0]=3 305 B9R0.55 CC(=O)CNC/C=C(\C)/Cl d5af9dace4c6258cda58df27975c2a9d [0,0,0,0,0,1|2,0,0]=3 306 B9R0.55 CC(=O)CNCC=C(C)C 347004cda9a627e5bb1774daa03c36a7 [0,0,0,0,0,1|1,0,0]=2 307 B9R0.55 CC(=O)CNCC=C(C)Cl ed56f7cfb59eb5667273b8a933d4b1cd [0,0,0,0,0,1|2,0,0]=3 308 B9R0.55 CC(=O)CNCC=C(C)I f5c0e45984d261f29ab67880714cbfe7 [0,0,0,0,0,1|2,0,0]=3 309 B9R0.55 CC(=O)CNCC=C(Cl)Cl 1a616c9f5f55e3b65bff557ea0431955 [0,0,0,0,0,1|3,0,0]=4 310 B9R0.55 CC(=O)CNCCC(C)C a808dcd2847c2da2ce54f5f0db358bfb [0,0,0,0,0,1|1,0,2]=4 311 B9R0.55 CC(=O)CNCCN(C)C 2bfdf00c0d570e57e079c18fa106c33b [0,0,0,0,0,1|2,0,1]=4 312 B9R0.55 CC(=O)CNCOC(=O)C a9161550bc0d229e260db58308a89ece [0,0,0,0,0,1|1,1,1]=4 313 B9R0.55 CC(=O)CNCOC(C)C a945bade2363953109b966473de13912 [0,0,0,0,0,1|2,0,1]=4 314 B9R0.55 CC(=O)CNCSC(=O)N d04657b191cf6ccb90eae4a71ecc71f1 [0,0,0,0,0,1|2,0,1]=4 315 B9R0.55 CC(=O)COC/C=C(/C)\I bf77f737e591ff0a0d331bb835a367ad [0,0,0,0,0,1|1,1,0]=3 316 B9R0.55 CC(=O)COC/C=C(\C)/Cl 97820fc9c895056a3fd16fd9e20e1618 [0,0,0,0,0,1|1,1,0]=3 317 B9R0.55 CC(=O)COCC=C(C)C 0a1951a5fbff0d63456134d260dabed0 [0,0,0,0,0,1|0,1,0]=2 318 B9R0.55 CC(=O)COCC=C(C)Cl e65b9fb9d48377235c776a37400ea506 [0,0,0,0,0,1|1,1,0]=3 319 B9R0.55 CC(=O)COCC=C(C)I ce06a8d2b82099f7ec14341909a196f6 [0,0,0,0,0,1|1,1,0]=3 320 B9R0.55 CC(=O)COCC=C(Cl)Cl b3577abd038f0998f62badc7c4448821 [0,0,0,0,0,1|2,1,0]=4 321 B9R0.55 CC(=O)COCCC(C)C 6db7d2dfcb34356d041afbdf4ad10eaf [0,0,0,0,0,1|0,1,2]=4 322 B9R0.55 CC(=O)COCCN(C)C 08b5b324aa9c95ec96ce560d6ace1e6b [0,0,0,0,0,1|1,1,1]=4 323 B9R0.55 CC(=O)COCOC(=O)C 0a6d1225fe7bef34fcb9b1c236dba034 [0,0,0,0,0,1|1,1,1]=4 324 B9R0.55 CC(=O)COCOC(C)C c8c376ed0f894da9d085e516b4703885 [0,0,0,0,0,1|1,1,1]=4 325 B9R0.55 CC(=O)COCSC(=O)N ed4c37baa9cf7498fea80d0f4092b67c [0,0,0,0,0,1|2,0,1]=4 326 B9R0.55 CC(=O)NCCCC(C)C fb53002ebde56b3103c957e1e4a39dab [0,0,0,0,0,1|1,0,2]=4 327 B9R0.55 CC(=O)NCCCN(C)C 102e725d4de8a9a63bb409b78aa3277e [0,0,0,0,0,1|2,0,1]=4 328 B9R0.55 CC(=O)NCCNC(=O)C 0321bfa08951e7410e51e8bd5f19cab9 [0,0,0,0,0,1|2,0,1]=4 329 B9R0.55 CC(=O)NCCNC(C)C 822f6b4f05048df798b316cd1c28fb95 [0,0,0,0,0,1|1,0,2]=4 330 B9R0.55 CC(=O)NCCOC(C)C b381b472459d35fc48cf96cd566b674a [0,0,0,0,0,1|1,0,2]=4 331 B9R0.55 CC(=O)NCOCC(C)C 99fab954934087ff9543d41841dc681b [0,0,0,0,0,1|1,0,2]=4 332 B9R0.55 CC(=O)NCOCN(C)C f536eaf1942adc2749837004ba3cef73 [0,0,0,0,0,1|2,0,1]=4 333 B9R0.55 CC(=O)OCCOC(C)C 47d9129c1599949f03f1848bfa090132 [0,0,0,0,0,1|0,1,2]=4 334 B9R0.55 CC(=O)OCNCC(C)C 73c52b46c778e94f160efebe7100b3ee [0,0,0,0,0,1|0,1,2]=4 335 B9R0.55 CC(=O)OCOCC(C)C 890e7bb626a73ee23682d1a24e4e5660 [0,0,0,0,0,1|0,1,2]=4 336 B9R0.55 CC(=O)SCCOC(C)C 43a4faeca2d74acee795a0735650199a [0,0,0,0,0,1|0,0,2]=3 337 B9R0.55 CC(C)CNCSC(=O)N 8a612380e6ef7c8f5185d2a22bd798fd [0,0,0,0,0,1|1,0,2]=4 338 B9R0.55 CC(C)COCSC(=O)N 6bdf9a025d7ae4db16a42bb3216fa017 [0,0,0,0,0,1|1,0,2]=4 339 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [2,0,0,0,0,0|1,0,1]=4 340 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [2,0,0,0,0,0|2,0,0]=4 341 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [2,0,0,0,0,0|1,0,1]=4 342 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [2,0,0,0,0,0|1,0,1]=4 343 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [2,0,0,0,0,0|1,0,1]=4 344 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [2,0,0,0,0,0|1,0,1]=4 345 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [2,0,0,0,0,0|1,0,1]=4 346 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [2,0,0,0,0,0|1,0,1]=4 347 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [2,0,0,0,0,0|0,1,1]=4 348 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [2,0,0,0,0,0|0,1,1]=4 349 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [2,0,0,0,0,0|1,0,0]=3 350 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [2,0,0,0,0,0|1,0,1]=4 351 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [2,0,0,0,0,0|0,1,1]=4 352 B8R0.6 C#CC(=O)NCC=CC d629596377fa9df6d699e065ce125d51 [1,1,0,0,0,0|1,0,1]=4 353 B8R0.6 C/C=C/COC(C)C=O fa131e4f23e9c9657b7f6224894d03d7 [1,1,0,0,0,0|0,1,1]=4 354 B8R0.6 C/C=C/CO[C@H](C)C=O 72678772068428946892afa70dba2cac [1,1,0,0,0,0|0,1,1]=4 355 B8R0.6 C/C=C\COC(C)C=O 0c0befa84e3b57906471d374030127b5 [1,1,0,0,0,0|0,1,1]=4 356 B8R0.6 C/C=C\CO[C@H](C)C=O 8d26d4e9027cf2c34d2202ac82180bcf [1,1,0,0,0,0|0,1,1]=4 357 B8R0.6 C=C(C=O)OC/C=C/C 2dcc3110c86a6a555816f9e93568f805 [1,1,0,0,0,0|0,1,1]=4 358 B8R0.6 C=C(C=O)OC/C=C\C 93550c76437bdb34f8fb27ee7eff4467 [1,1,0,0,0,0|0,1,1]=4 359 B8R0.6 C=CC(=O)NCC=CC 7bfd6f39a10cac7561bd29c81bebed41 [1,1,0,0,0,0|1,0,1]=4 360 B8R0.6 CC=CCNC(=O)C=O 2619bd06651b9bd7fad594d339b07422 [1,1,0,0,0,0|1,0,1]=4 361 B8R0.6 CC=CCNC(=O)CC 0567aadeecba276bde20c091c56d95d3 [1,1,0,0,0,0|1,0,0]=3 362 B8R0.6 CC=CCNC(=O)CF 0d5f7fd26f945e36e8c6eecf363d8b30 [1,1,0,0,0,0|1,0,0]=3 363 B8R0.6 CC=CCNC(=O)CO 89f535fd64f7fddf0a20907685f7be1f [1,1,0,0,0,0|1,0,0]=3 364 B8R0.6 CC=CCNC(=O)CS a2418ca7c15d5fb8667c73be3fb859b5 [1,1,0,0,0,0|1,0,0]=3 365 B8R0.6 CC=CCNC(C)C=O 91835a46141d208cf4a38dbda5acfa3b [1,1,0,0,0,0|1,0,1]=4 366 B8R0.6 CC=CCN[C@H](C)C=O 3de25320dcc5b60b7ab82c87a4cf69d7 [1,1,0,0,0,0|1,0,1]=4 367 B8R0.6 CC=CCOC(C)C=O 3d8a3f728c7148d7fc326eca893206e0 [1,1,0,0,0,0|0,1,1]=4 368 B8R0.6 CC=CCO[C@H](C)C=O a976498a0880bb231380bbb58cfae4a2 [1,1,0,0,0,0|0,1,1]=4 369 B8R0.7 C/C(=C/COCC=O)/Cl 1242a36c899156e7f2fba7315ce08cf0 [1,1,0,0,0,0|1,1,0]=4 370 B8R0.7 C/C(=C/COCC=O)/I aaa33a52c17768e2cade6c56d9089cb8 [1,1,0,0,0,0|1,1,0]=4 371 B8R0.7 C/C=C/CNCC(=O)C d08365ea544d9b1f5f738627bd1655a4 [1,1,0,0,0,0|1,0,0]=3 372 B8R0.7 C/C=C/CNCC(=O)N 35bccb5c6f26f8bea4b235e26562bb8f [1,1,0,0,0,0|2,0,0]=4 373 B8R0.7 C/C=C/CNCC(=O)O c42f2b1a73316da9e67d3841e3bba390 [1,1,0,0,0,0|2,0,0]=4 374 B8R0.7 C/C=C/COCC(=O)C 8704cfa8ea1b508d264e8fc5e5c29d85 [1,1,0,0,0,0|0,1,0]=3 375 B8R0.7 C/C=C/COCC(=O)N 5a789f9788fb0b39c2772356abc11d01 [1,1,0,0,0,0|1,1,0]=4 376 B8R0.7 C/C=C/COCC(=O)O 226b10d27bfff6e38810e52e502a3510 [1,1,0,0,0,0|1,1,0]=4 377 B8R0.7 C/C=C\CNCC(=O)C 6a6c9d418c0891c2fa3bf4c597c04764 [1,1,0,0,0,0|1,0,0]=3 378 B8R0.7 C/C=C\CNCC(=O)N 986aed96850afbf455a00521096423c9 [1,1,0,0,0,0|2,0,0]=4 379 B8R0.7 C/C=C\CNCC(=O)O f297a0a2509c5e78c48c40fb1dbd770d [1,1,0,0,0,0|2,0,0]=4 380 B8R0.7 C/C=C\COCC(=O)C 2779d7a42d72df0b04bf874f0b76bd29 [1,1,0,0,0,0|0,1,0]=3 381 B8R0.7 C/C=C\COCC(=O)N 946717a3036575b064e54b5e93162f10 [1,1,0,0,0,0|1,1,0]=4 382 B8R0.7 C/C=C\COCC(=O)O e58cd13c0ed7a7febac3a76fdbabc6bc [1,1,0,0,0,0|1,1,0]=4 383 B8R0.7 C=C(C)CNC/C=C/C c7be1ae97fd086dd2239e848e6fee73b [1,1,0,0,0,0|2,0,0]=4 384 B8R0.7 C=C(C)CNC/C=C\C e30470768b4ddca8558dc6726d750699 [1,1,0,0,0,0|2,0,0]=4 385 B8R0.7 C=C(C)CNCC=CC 27c7ffefd2baed49c93eebb3f68c883a [1,1,0,0,0,0|2,0,0]=4 386 B8R0.7 C=C(C)COC/C=C/C 9e04ae272e77494b81914f356505f011 [1,1,0,0,0,0|1,1,0]=4 387 B8R0.7 C=C(C)COC/C=C\C 9dbefe19b47e28f99e26e900c779acc8 [1,1,0,0,0,0|1,1,0]=4 388 B8R0.7 C=C(C)COCC=CC 7ce3cc41c79f9b5fa7caf1b55f5060e6 [1,1,0,0,0,0|1,1,0]=4 389 B8R0.7 C=CCNCC=C(C)C 0df80170797fa18448fef46102a73c59 [1,1,0,0,0,0|1,0,1]=4 390 B8R0.7 C=CCOCC=C(C)C eca3e61c2092906027796cdcad8f7e58 [1,1,0,0,0,0|0,1,1]=4 391 B8R0.7 CC(=CCNCC=O)C 3064b3a277f78689989dd384c9ba4954 [1,1,0,0,0,0|1,0,0]=3 392 B8R0.7 CC(=CCNCCBr)C a55b896e64a2a24dcea696e93f3d29b6 [1,1,0,0,0,0|1,0,1]=4 393 B8R0.7 CC(=CCNCCF)C 9e6ac6e82cc1d21b11b8470e7d3b5ee6 [1,1,0,0,0,0|1,0,1]=4 394 B8R0.7 CC(=CCNCCI)C 6c6162fb471ce1956b7889e42241d115 [1,1,0,0,0,0|1,0,1]=4 395 B8R0.7 CC(=CCNCCO)C 0feeda9211e49f7a10ebb18c907ce996 [1,1,0,0,0,0|1,0,1]=4 396 B8R0.7 CC(=CCNCCS)C c5569db12d572d4aa528877e2ad05cd7 [1,1,0,0,0,0|1,0,1]=4 397 B8R0.7 CC(=CCOCC=O)C 4ab5a59373408a34b4481ca370ab3cf9 [1,1,0,0,0,0|0,1,0]=3 398 B8R0.7 CC(=CCOCC=O)I 2ac83cd845f1ff2fdd354fa23b1e9ba4 [1,1,0,0,0,0|1,1,0]=4 399 B8R0.7 CC(=CCOCCF)C baef75cf43465ef5950ad88174f89600 [1,1,0,0,0,0|0,1,1]=4 400 B8R0.7 CC(=CCOCCS)C c228681256606d28ce887dbb3a23c933 [1,1,0,0,0,0|0,1,1]=4 401 B8R0.7 CC(=O)CNC/C=C/Cl 13a982d0bf036de3de1c23fe451d2731 [1,1,0,0,0,0|2,0,0]=4 402 B8R0.7 CC(=O)CNC/C=C\Cl 6486c7e47bd03153148fdbc79f40f662 [1,1,0,0,0,0|2,0,0]=4 403 B8R0.7 CC(=O)CNC/C=C\O 19a7672d1a67f2a1a9815025c4514fdd [1,1,0,0,0,0|2,0,0]=4 404 B8R0.7 CC(=O)COC/C=C/Cl f28a84584009e5c8efc1107a62fa8ba7 [1,1,0,0,0,0|1,1,0]=4 405 B8R0.7 CC(=O)COC/C=C\Cl 66fd27dbc2c5b7652d1a6492573d5a55 [1,1,0,0,0,0|1,1,0]=4 406 B8R0.7 CC=CCNCC(=O)N 7efd7732ed8821f9c7210004bad86f98 [1,1,0,0,0,0|2,0,0]=4 407 B8R0.7 CC=CCNCC(=O)O ca4b4f47c78da4f7c20abbf90afdb294 [1,1,0,0,0,0|2,0,0]=4 408 B8R0.7 CC=CCOCC(=O)N 88e8dd09adb68044e374d93bc6b3c79e [1,1,0,0,0,0|1,1,0]=4 409 B8R0.7 CC=CCOCC(=O)O c8d8ca65cbc2c5e4d49fda8c8e6e7f5b [1,1,0,0,0,0|1,1,0]=4 410 B8R0.7 CCCNCC=C(C)C 029a389e0c61ae0bd25944f993ae298b [1,1,0,0,0,0|1,0,1]=4 411 B8R0.7 CCCOCC=C(C)C b30e82a8d352d0695bc34774c65bba1f [1,1,0,0,0,0|0,1,1]=4 412 B8R0.7 COCNCC=C(C)C 44d00f3be0e21ff071ad6c1288f1c267 [1,1,0,0,0,0|1,0,1]=4 413 B8R0.7 COCOCC=C(C)C eb10f9b59f2f4c3199e566133e6d3f14 [1,1,0,0,0,0|0,1,1]=4 414 B8R0.7 CSCNCC=C(C)C bd33927766e98f2dd5dacc45b1e895e0 [1,1,0,0,0,0|1,0,1]=4 415 B8R0.7 CSCOCC=C(C)C 11fcffec5a5501fa1669666c27a89e75 [1,1,0,0,0,0|0,1,1]=4 416 B8R0.8 CN(C)C(=O)CNC=O cd12a8c3ee28c6d34fc08d6da8286e97 [1,1,0,0,0,0|2,0,0]=4 417 B8R0.9 CCN(C)CC=C(C)C c0858b3ee9aa449ac1738f4ea9e9cac4 [1,1,0,0,0,0|1,0,1]=4 418 B8R0.9 CNC(=O)CNC(=O)C c907d9576897cc728ca9c254cf3b05e9 [1,1,0,0,0,0|2,0,0]=4 419 B8R0.9 COC(=O)CNC(=O)C b0f97d8003dd4b6278e13b9959e4a2e1 [1,1,0,0,0,0|2,0,0]=4 420 B8R0.23 CC(=O)C(C)OC(C)C 2d86abe06727762a40b9ab2fefeb12d2 [0,1,0,0,1,0|1,0,1]=4 421 B8R0.23 CC(=O)N(C)CC(C)C 89cec52088ed29050ddede06aaad4a16 [0,1,0,0,1,0|1,0,1]=4 422 B8R0.23 CC(=O)NC(C)C(C)C 44e61c71c404e93b61e4ebb2d17acd25 [0,1,0,0,1,0|1,0,1]=4 423 B8R0.23 CC(=O)N[C@@H](C)C(C)C 020b2d58d09d222117d5a013059e1c42 [0,1,0,0,1,0|1,0,1]=4 424 B8R0.23 CC(=O)N[C@H](C)C(C)C 1a8a59449f9523fa08b3f0d029907e07 [0,1,0,0,1,0|1,0,1]=4 425 B8R0.29 CC(=O)NCC(C)(C)C 9462e7ac263ac589a01977b5f7e527a7 [0,1,0,0,1,0|1,0,1]=4 426 B8R0.29 CC(=O)NCC(C)(C)O ac59c5875c8df765f15b4c858063fbc9 [0,1,0,0,1,0|1,0,1]=4 427 B10R0.15 CC(=CCNCS(=O)(=O)C)C 37e79cb894e3abc8352352972de82a56 [0,1,0,0,0,1|2,0,0]=4 428 B10R0.15 CC(=CCOCS(=O)(=O)C)C db26e8bcef32892563a77c9324786f0f [0,1,0,0,0,1|1,1,0]=4 429 B10R0.15 CC(=O)SCCNC(C)(C)C 3071ddb3a629fd2ff4add8e973124c9c [0,1,0,0,0,1|0,0,2]=4 430 B10R0.55 C=C(C=O)OCCC=C(C)C c3d10aabd6c11ac90d302f51c19b6bda [0,1,0,0,0,1|0,1,1]=4 431 B10R0.55 C=C(CC)CNCC=C(C)C fb8f01037e2e44e05259945ead8b833b [0,1,0,0,0,1|2,0,0]=4 432 B10R0.55 C=C(CC)COCC=C(C)C f71ebc1df424fc6e4d3b9146b232acc4 [0,1,0,0,0,1|1,1,0]=4 433 B10R0.55 C=C(CNCC=C(C)C)OC 0b23c35e7c055c36701d10ae7f1f2916 [0,1,0,0,0,1|2,0,0]=4 434 B10R0.55 C=C(CO)CNCC=C(C)C ab8a29e5c430b79698e68a0e2098dc56 [0,1,0,0,0,1|2,0,0]=4 435 B10R0.55 C=C(COCC=C(C)C)OC e0433539cff77a1ede96fc0da12f5bda [0,1,0,0,0,1|1,1,0]=4 436 B10R0.55 CC(=CCCOC(C)C=O)C 2ba9aedd9ca5c23db256a7b333b91370 [0,1,0,0,0,1|0,1,1]=4 437 B10R0.55 CC(=CCNCC(=O)CO)C d2b4096d11fca4713135f628110ef825 [0,1,0,0,0,1|1,0,0]=3 438 B10R0.55 CC(=CCNCC(=O)NO)C fa99c1de2d6cb7d8a25143ffe12ae1f8 [0,1,0,0,0,1|2,0,0]=4 439 B10R0.55 CC(=CCOC/C(=C/I)/C)C a741c2942de67b0110063d84246d23a3 [0,1,0,0,0,1|1,1,0]=4 440 B10R0.55 CC(=CCOCC(=CI)C)C 057e1598b600c4c0a3d5c96f4b9637bf [0,1,0,0,0,1|1,1,0]=4 441 B10R0.55 CC(=O)SCCNC(C)CO 86e2e0ddc317480f23a008ff93718503 [0,1,0,0,0,1|0,0,2]=4 442 B10R0.55 CC(=O)SCCN[C@@H](C)CO 266b783c78d8a9d77bf29e02dce35f99 [0,1,0,0,0,1|0,0,2]=4 443 B10R0.55 CC(=O)SCCN[C@H](C)CO 11f8a4c28b71df14dc8f1beaed73f336 [0,1,0,0,0,1|0,0,2]=4 444 B10R0.55 CC(=O)SCCOC(C)CF 109125d691a52a30956cd8e3e26a8a11 [0,1,0,0,0,1|0,0,2]=4 445 B10R0.55 CC(=O)SCCOC(C)CS 9fca478b5fa0ac71ca5a31877bba7f54 [0,1,0,0,0,1|0,0,2]=4 446 B10R0.55 CC(=O)SCCO[C@H](C)CS 847b836567d699c67f9ce32f496c2e90 [0,1,0,0,0,1|0,0,2]=4 447 B10R0.55 CCC(=O)CNCC=C(C)C d03a7d4918b15456f7165cdf4d5dff6a [0,1,0,0,0,1|1,0,0]=3 448 B10R0.55 CCC(=O)COC/C=C(/C)\Cl 61799de88a16f140ff97cd7665b815a8 [0,1,0,0,0,1|1,1,0]=4 449 B10R0.55 CCC(=O)COC/C=C(/C)\I 40e9efb863b749893ee9d24971d97059 [0,1,0,0,0,1|1,1,0]=4 450 B10R0.55 CCC(=O)COC/C=C(\C)/Cl a71559605e92b1510f9b42a7a86f140a [0,1,0,0,0,1|1,1,0]=4 451 B10R0.55 CCC(=O)COCC=C(C)C 610b2cd88d34643549e91b924968b21b [0,1,0,0,0,1|0,1,0]=3 452 B10R0.55 CCC(=O)COCC=C(C)Cl 38548b3ae7d46844afba713965b76561 [0,1,0,0,0,1|1,1,0]=4 453 B10R0.55 CCC(=O)COCC=C(C)I 83523bdfd32f442d80ffa9292cf611a7 [0,1,0,0,0,1|1,1,0]=4 454 B10R0.55 CCC(C)NCCSC(=O)C ff9dc3ba3727028259d899ae6074d0df [0,1,0,0,0,1|0,0,2]=4 455 B10R0.55 CCC(C)OCCSC(=O)C a91d431c7886880583e04562914c5528 [0,1,0,0,0,1|0,0,2]=4 456 B10R0.55 CCN(C)CCCSC(=O)C b6ac70fc6eeee392c018d10c515bb6e3 [0,1,0,0,0,1|1,0,1]=4 457 B10R0.55 CC[C@@H](C)NCCSC(=O)C 418cd085ee44ae4cd7c9c0901ac53f8b [0,1,0,0,0,1|0,0,2]=4 458 B10R0.55 CC[C@@H](C)OCCSC(=O)C 618a59e26b841aa83ec5b8678d51b642 [0,1,0,0,0,1|0,0,2]=4 459 B10R0.55 CC[C@H](C)NCCSC(=O)C 7cf4ba26288f450a102702513b36715b [0,1,0,0,0,1|0,0,2]=4 460 B10R0.55 CC[C@H](C)OCCSC(=O)C d3f04f1df7606841d3a9685e7519af8d [0,1,0,0,0,1|0,0,2]=4 461 B10R0.55 CNC(=O)CNC/C=C(/C)\I ef09a7878f96d787720b5f6672938407 [0,1,0,0,0,1|2,0,0]=4 462 B10R0.55 CNC(=O)CNC/C=C(\C)/Cl b43e1bd53f41ac952e00635c6c156bba [0,1,0,0,0,1|2,0,0]=4 463 B10R0.55 CNC(=O)CNCC=C(C)C df7ad7b65202fd6385f191c0d4bfa3b7 [0,1,0,0,0,1|1,0,0]=3 464 B10R0.55 CNC(=O)CNCC=C(C)Cl 417da698c792e85155173ba0ecc89f6e [0,1,0,0,0,1|2,0,0]=4 465 B10R0.55 CNC(=O)CNCC=C(C)I 2135c9920c9c46270d3f3b5b80669616 [0,1,0,0,0,1|2,0,0]=4 466 B10R0.55 CNC(=O)COC/C=C(/C)\Cl 2b4820acbcd57b4c9b67fdf7bbb58d6d [0,1,0,0,0,1|1,1,0]=4 467 B10R0.55 CNC(=O)COC/C=C(/C)\I 870afd971208b1c8881fb70f90f59ae7 [0,1,0,0,0,1|1,1,0]=4 468 B10R0.55 CNC(=O)COC/C=C(\C)/Cl 212b8804f5db20b16c4c8f2528baefba [0,1,0,0,0,1|1,1,0]=4 469 B10R0.55 CNC(=O)COCC=C(C)C 3a26084c7cb6ec397a4fcf20e4240b59 [0,1,0,0,0,1|0,1,0]=3 470 B10R0.55 CNC(=O)COCC=C(C)Cl 82f23d7de2983ecfa20cb9843d0d7e65 [0,1,0,0,0,1|1,1,0]=4 471 B10R0.55 CNC(=O)COCC=C(C)I 18491ae5b02adcc03fe246749bf28e7d [0,1,0,0,0,1|1,1,0]=4 472 B10R0.55 COC(=O)CNC/C=C(/C)\I 5a14de694f1df2f927fa7c0cae68c66e [0,1,0,0,0,1|2,0,0]=4 473 B10R0.55 COC(=O)CNC/C=C(\C)/Cl aa5586d6c6c5b045b699db378a767a03 [0,1,0,0,0,1|2,0,0]=4 474 B10R0.55 COC(=O)CNCC=C(C)C c296412c43cd6a7265eb8d7cd6d24ba1 [0,1,0,0,0,1|1,0,0]=3 475 B10R0.55 COC(=O)CNCC=C(C)Cl 4c9c4726aa47a32459870cb2d71f8d94 [0,1,0,0,0,1|2,0,0]=4 476 B10R0.55 COC(=O)CNCC=C(C)I e4e6d0410b1a3daedfd80d8bca496de7 [0,1,0,0,0,1|2,0,0]=4 477 B10R0.55 COC(=O)COC/C=C(/C)\Cl 527fe119b85c6162c49860eaa5edeb65 [0,1,0,0,0,1|1,1,0]=4 478 B10R0.55 COC(=O)COC/C=C(/C)\I 2cfe806c475495a673171b47d4099f93 [0,1,0,0,0,1|1,1,0]=4 479 B10R0.55 COC(=O)COC/C=C(\C)/Cl e551d90d6b0374ee4d9420f4f36217e6 [0,1,0,0,0,1|1,1,0]=4 480 B10R0.55 COC(=O)COCC=C(C)C 5a7645999d3ebd864baa74eface98c20 [0,1,0,0,0,1|0,1,0]=3 481 B10R0.55 COC(=O)COCC=C(C)Cl 700a9b871f7c4031c7c6575ed0687430 [0,1,0,0,0,1|1,1,0]=4 482 B10R0.55 COC(=O)COCC=C(C)I bef2e3c8e4e66236ea37ec160bfbfb50 [0,1,0,0,0,1|1,1,0]=4 483 B10R0.96 CC(=CCN(C)CC(=O)N)C 9699ddc7cbb6346fe5479496ce5575ab [0,1,0,0,0,1|2,0,0]=4 484 B10R0.96 CC(=CCN(C)CC(=O)O)C bd7235b354a849939113e3c80d2d3e63 [0,1,0,0,0,1|2,0,0]=4 485 B10R0.96 CC(=O)CNC(=O)C=C(C)C 0bc2006edd28380a76c8c38aba236ba5 [0,1,0,0,0,1|1,0,1]=4 486 B10R0.96 CC(=O)NCC(=O)NC(C)C 6788917e5dacb6247f33ff5f08fdce6e [0,1,0,0,0,1|1,0,1]=4 487 B10R0.98 C=C(C)C(=O)NCC=C(C)C c1ec4d0ffd609ce7e6b14c7798f1e6aa [0,1,0,0,0,1|2,0,0]=4 488 B10R0.98 CC(=CCNC(=O)C(=O)N)C a91971b95e5f4d7f1ee07364c1d70c9d [0,1,0,0,0,1|2,0,0]=4 489 B10R0.98 CC(=CCNC(C)C(=O)N)C b0c00e6edb55b4cecb4b5d12b3085c8f [0,1,0,0,0,1|2,0,0]=4 490 B10R0.98 CC(=CCNC(C)C(=O)O)C 0ffa9ed44c5c4cef3e3e95b6092197e8 [0,1,0,0,0,1|2,0,0]=4 491 B10R0.98 CC(=CCNC(F)C(=O)N)C 4f85feed434a25ecbfd4b9bd19e3c61f [0,1,0,0,0,1|2,0,0]=4 492 B10R0.98 CC(=CCNC(F)C(=O)O)C 2464204d67b308fdc6cdd608ee57dba4 [0,1,0,0,0,1|2,0,0]=4 493 B10R0.98 CC(=CCNC(O)C(=O)O)C 39d498662f6084f3781cf570680676eb [0,1,0,0,0,1|2,0,0]=4 494 B10R0.98 CC(=CCN[C@@H](C)C(=O)N)C 205d17a07135cf3d69ef30654efdc65c [0,1,0,0,0,1|2,0,0]=4 495 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 57bfc3545224fbc941e141f853a13633 [0,1,0,0,0,1|2,0,0]=4 496 B10R0.98 CC(=CCN[C@@H](F)C(=O)O)C eba7f1dec9753ee92ea3a14bf8127832 [0,1,0,0,0,1|2,0,0]=4 497 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 85741a732bf1f982a4ef9f1b966e6a92 [0,1,0,0,0,1|2,0,0]=4 498 B10R0.98 CC(=CCN[C@H](C)C(=O)O)C 8adaf5ee773d0890c35c0eb152f6fe11 [0,1,0,0,0,1|2,0,0]=4 499 B10R0.98 CC(=CCOC(C)C(=O)N)C 3af293b349b26b03d7f0fedbfab010d0 [0,1,0,0,0,1|1,1,0]=4 500 B10R0.98 CC(=CCOC(C)C(=O)O)C ffb478b5b1428fe813e2857b0e2d2090 [0,1,0,0,0,1|1,1,0]=4 501 B10R0.98 CC(=CCOC(F)C(=O)N)C 5de381d3049193e72fb4fd0e54aa2f94 [0,1,0,0,0,1|1,1,0]=4 502 B10R0.98 CC(=CCOC(F)C(=O)O)C 801eaec761620ed31b51471903f3318e [0,1,0,0,0,1|1,1,0]=4 503 B10R0.98 CC(=CCO[C@@H](C)C(=O)N)C fe43083cf2750fdac6989b9f7d9ad4b6 [0,1,0,0,0,1|1,1,0]=4 504 B10R0.98 CC(=CCO[C@@H](C)C(=O)O)C 99ccb5f119dc885b2265d855d0af4bff [0,1,0,0,0,1|1,1,0]=4 505 B10R0.98 CC(=CCO[C@@H](F)C(=O)O)C b1b71e83c38cbac0283d2eb286d9c592 [0,1,0,0,0,1|1,1,0]=4 506 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 1c0838ef122b579503cf66f27aa96f9c [0,1,0,0,0,1|1,1,0]=4 507 B10R0.98 CC(=CCO[C@H](C)C(=O)O)C d544be61e5da9a46d8ff3911c902e148 [0,1,0,0,0,1|1,1,0]=4 508 B10R0.98 CC(=O)C(=O)NCC=C(C)C d3596ecf69a51d56b3ba7856fe21660e [0,1,0,0,0,1|1,0,0]=3 509 B10R0.98 CC(=O)C(C)NCC=C(C)C ef4864f8114c372627ebf1c078b2501b [0,1,0,0,0,1|1,0,0]=3 510 B10R0.98 CC(=O)C(C)OC/C=C(/C)\Cl fd5f00ae236fbfe2af1a1621eab0edd5 [0,1,0,0,0,1|1,1,0]=4 511 B10R0.98 CC(=O)C(C)OC/C=C(/C)\I 2883df3a6648dd6cf4b4f7c5ef7cf7f7 [0,1,0,0,0,1|1,1,0]=4 512 B10R0.98 CC(=O)C(C)OC/C=C(\C)/Cl 7108e7a1ee9753e5b0033c4202b04ca1 [0,1,0,0,0,1|1,1,0]=4 513 B10R0.98 CC(=O)C(C)OCC=C(C)C 89cb8f6207aa18e361eceb950516ca2d [0,1,0,0,0,1|0,1,0]=3 514 B10R0.98 CC(=O)C(C)OCC=C(C)Cl cb29b0f95ff6a18ae1b3d1b419af0e42 [0,1,0,0,0,1|1,1,0]=4 515 B10R0.98 CC(=O)C(C)OCC=C(C)I 73f9680389334a3fc40ad98a046b8966 [0,1,0,0,0,1|1,1,0]=4 516 B10R0.98 CC(=O)CNCC(=O)C(=O)C 796e8f71caa53af0a7583835db6146fe [0,1,0,0,0,1|2,0,0]=4 517 B10R0.98 CC(=O)CNCC(=O)C(C)C f8f040c17bf6f650121594c0ae019854 [0,1,0,0,0,1|1,0,1]=4 518 B10R0.98 CC(=O)CNCC(=O)N(C)C 2452df6d767c1d11bcc8b6552902e998 [0,1,0,0,0,1|2,0,0]=4 519 B10R0.98 CC(=O)COCC(=O)C(=O)C 76df5b0b243eb7a238e104e71bb795bf [0,1,0,0,0,1|1,1,0]=4 520 B10R0.98 CC(=O)COCC(=O)C(C)C ea67094ab6face0132ed64e89e822b39 [0,1,0,0,0,1|0,1,1]=4 521 B10R0.98 CC(=O)COCC(=O)N(C)C 787264f34cb8505f80efbc7ea3b43659 [0,1,0,0,0,1|1,1,0]=4 522 B10R0.98 CC(=O)NCCC(=O)N(C)C af6e72291d02fd72f8cd308bf65f5044 [0,1,0,0,0,1|2,0,0]=4 523 B10R0.98 CC(=O)SCCN(C)C(C)C b1458da9ab8df4c6525319796db044ad [0,1,0,0,0,1|0,0,2]=4 524 B10R0.3 C#CCC(=O)NCC=C(C)C fb5c86af5312f209f4d4b83730e60255 [0,2,0,0,0,0|1,0,0]=3 525 B10R0.3 C#CCN(C)CCSC(=O)C 0a9781bfbc81dba6532cbe06fcebf337 [0,2,0,0,0,0|1,0,1]=4 526 B10R0.3 C/C=C/C(=O)NCC=C(C)C ca9499daa964bb63b791f56af2bc77f5 [0,2,0,0,0,0|1,0,0]=3 527 B10R0.3 C=CCC(=O)NCC=C(C)C 6200bc94297b7644f1e8e37ba0bc969a [0,2,0,0,0,0|1,0,0]=3 528 B10R0.3 C=CCN(C)CCSC(=O)C 93df38b639f34662236da01a601c653c [0,2,0,0,0,0|1,0,1]=4 529 B10R0.3 CC#CC(=O)NCC=C(C)C 3ea9cbd66fd657a0135c81f2522f684e [0,2,0,0,0,0|1,0,0]=3 530 B10R0.3 CC(=CCCC(=O)NC#N)C dc2b2a31663f90d619e1fc9521b7c7b8 [0,2,0,0,0,0|1,0,1]=4 531 B10R0.3 CC(=CCNC(=O)/C=C/Br)C fc84491662020058a45a1c76d5ae7db3 [0,2,0,0,0,0|1,0,1]=4 532 B10R0.3 CC(=CCNC(=O)/C=C/Cl)C 19ff5e9f7732d1efeeb759aa083ed9e9 [0,2,0,0,0,0|1,0,1]=4 533 B10R0.3 CC(=CCNC(=O)/C=C/I)C 7c7ab93c2df13dd4c5704158289026e4 [0,2,0,0,0,0|1,0,1]=4 534 B10R0.3 CC(=CCNC(=O)/C=C\Br)C dc99dad8beca36e432bfe6ce22d30fe1 [0,2,0,0,0,0|1,0,1]=4 535 B10R0.3 CC(=CCNC(=O)/C=C\Cl)C 9e43fd9bf813164e93025af3e0cc7868 [0,2,0,0,0,0|1,0,1]=4 536 B10R0.3 CC(=CCNC(=O)/C=C\I)C 9a897629478ae795cffeb9c881a7c0f7 [0,2,0,0,0,0|1,0,1]=4 537 B10R0.3 CC(=CCNC(=O)C#CBr)C 8b60db05f636cfd00d24cb2fa058cd26 [0,2,0,0,0,0|1,0,1]=4 538 B10R0.3 CC(=CCNC(=O)C=CBr)C cd5ce874d8685349feb280a97871e6df [0,2,0,0,0,0|1,0,1]=4 539 B10R0.3 CC(=CCNC(=O)C=CI)C cb87d26bc3c74bb80b9690c1fbe86fd7 [0,2,0,0,0,0|1,0,1]=4 540 B10R0.3 CC(=CCNC(=O)CC#N)C 0d9d85e56da72d98fbc35cdb710ea593 [0,2,0,0,0,0|1,0,0]=3 541 B10R0.3 CC(=CCNC(=O)CC=O)C 7ef79eb776a44fdda20c0b2811999e31 [0,2,0,0,0,0|1,0,0]=3 542 B10R0.3 CC(=CCNC(=O)CCF)C 30ac0888624f155b41b2a49c119a9c62 [0,2,0,0,0,0|1,0,0]=3 543 B10R0.3 CC(=CCNC(=O)CCO)C 1ccd7d3295c2f049556458a7cef68b2c [0,2,0,0,0,0|1,0,0]=3 544 B10R0.3 CC(=CCNC(=O)CCS)C 948e55ca1d351d722a6e11cd5c63981d [0,2,0,0,0,0|1,0,0]=3 545 B10R0.3 CC(=CCNC(=O)CON)C 85a32e4894a3cdb203046c120e88d9c5 [0,2,0,0,0,0|1,0,0]=3 546 B10R0.3 CC(=CCNC(=O)NC#N)C 1330dd7aa682880ea1aec0300e15b2b8 [0,2,0,0,0,0|1,0,1]=4 547 B10R0.3 CC(=O)SCCN(C)CC#N 218367f6a843d912fe7386bf767f7639 [0,2,0,0,0,0|1,0,1]=4 548 B10R0.3 CC(=O)SCCN(C)CCF 6badb3f6fd8a72502142959a3e5b792c [0,2,0,0,0,0|1,0,1]=4 549 B10R0.3 CC(=O)SCCN(C)CCO 593d979051eb5669e6f3f9d9ed54463b [0,2,0,0,0,0|1,0,1]=4 550 B10R0.3 CCCC(=O)NCC=C(C)C ba2bdc88035ebb794ebfa71b15da8540 [0,2,0,0,0,0|1,0,0]=3 551 B10R0.3 CCCC(=S)OCC=C(C)C ceecf923b3a2b52458b1d6febf9bdbc8 [0,2,0,0,0,0|0,2,0]=4 552 B10R0.3 CCCN(C)CCSC(=O)C 9fe3b0e7bcba658d6fc90e58ad36e0df [0,2,0,0,0,0|1,0,1]=4 553 B10R0.3 COCC(=O)NCC=C(C)C 01c27fd880b7aa73bada9757fd84f74b [0,2,0,0,0,0|1,0,0]=3 554 B10R0.3 CSCC(=O)NCC=C(C)C 68abdae8e9adbbbbcc499c91e10dc59a [0,2,0,0,0,0|1,0,0]=3 555 B10R0.57 C/C=C(/C)\C(=O)NCC(=O)C 3b7d58d09e68bd3418c0da378ad7088f [0,2,0,0,0,0|2,0,0]=4 556 B10R0.57 C/C=C(\C)/C(=O)NCC(=O)C 26f23e788d2d119a9d22a4fbf94e3f4e [0,2,0,0,0,0|2,0,0]=4 557 B10R0.57 CC=C(C)C(=O)NCC(=O)C ce940c4617fffc32c8e15a39b2ba52ad [0,2,0,0,0,0|2,0,0]=4 558 B10R0.57 CCN(C)C(=O)CCC(=O)C 41d76f573d15a8ffab790caea255d73f [0,2,0,0,0,0|2,0,0]=4 559 B10R0.57 CCN(C)C(=O)CNC(=O)C d7ebef4bce2ff1cdc20c08972c89c30a [0,2,0,0,0,0|2,0,0]=4 560 B10R0.57 CCN(C)C(=O)COC(=O)C 103af15bf42fbdc78b4619b11308dcc4 [0,2,0,0,0,0|1,1,0]=4 561 B10R0.57 CCN(C)C(=O)CSC(=O)C c0845aaf55f160b9f8e080d381d77ea1 [0,2,0,0,0,0|1,0,0]=3 562 B10R0.77 CCC(C=O)NCC=C(C)C 77ff7d3f3af91a72bd54ff40c2d8f730 [0,2,0,0,0,0|1,0,1]=4 563 B10R0.77 CCC(C=O)OCC=C(C)C 0ef656bee310e2677a929fa694946557 [0,2,0,0,0,0|0,1,1]=4 564 B10R0.82 CCC(=O)NCC(=O)N(C)C a3d5650a5ddcf5f3c7a096b0500713ac [0,2,0,0,0,0|2,0,0]=4 565 B10R0.82 CN(C)C(=O)CNC(=O)CF bb0c780913812060ebed3ec89bca2c8f [0,2,0,0,0,0|2,0,0]=4 566 B10R0.82 CN(C)C(=O)CNC(=O)CO f0e43d6a0660247f085fc3105706723b [0,2,0,0,0,0|2,0,0]=4 567 B10R0.82 CN(C)C(=O)CNC(=O)CS 84db74da8265f1e6670a3e897afc50fe [0,2,0,0,0,0|2,0,0]=4 568 B10R0.12 CC(=O)NCC(=O)C(C)(C)C de98dc4bacefeae39f8e034db3dfa9b2 [0,2,0,0,0,0|1,0,1]=4 569 B10R0.13 CC(=O)NC(C)C(=O)N(C)C 5ec8149a270a46b4d9976efdac58088b [0,2,0,0,0,0|2,0,0]=4 570 B10R0.13 CC(=O)N[C@@H](C)C(=O)N(C)C 60cde8e64263e24ff3d75f99dad1a939 [0,2,0,0,0,0|2,0,0]=4 571 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 6a094b0144b5b6111d46847fb4f04fdd [0,2,0,0,0,0|2,0,0]=4 572 B8R1.7 CC(=O)N1CC=CC1 e11b9582e24204de984b55633fe5316e [1,0,0,1,0,0|1,0,0]=3 573 B8R1.77 CC(=O)N1CC1(C)C 590117534e705036bf11af3121bac41b [0,0,0,1,1,0|1,0,1]=4 574 B10R1.126 CC(=O)SCCNC1CC1 992a661881a796906a7dae9bbae7566d [0,0,0,1,0,1|0,0,2]=4 575 B10R1.126 CC(=O)SCCOC1CC1 c0bd07d45172e2121bd3114a95af499b [0,0,0,1,0,1|0,0,2]=4 576 B10R1.13 CC(=O)N1CC=C(CC1)Br 46a9eea74033c3782effb9cbbf9cb341 [0,1,0,1,0,0|2,0,0]=4 577 B10R1.80 CC(=O)N[C@@H]1CN(C1=O)C 6d98f51b2d81135e4f5b27d5d839978f [0,1,0,1,0,0|2,0,0]=4 578 B10R1.80 CC(=O)N[C@H]1CN(C1=O)C 7c442089d92813928f3728f6985b424b [0,1,0,1,0,0|2,0,0]=4 579 B10R1.127 CC(=O)SCCN1CCC1 a32846b21a4168b147a2d5a75ccd5e0e [0,1,0,1,0,0|1,0,1]=4 580 B10R1.168 CC(=O)SC1CN(C1)CF 8f3516176964f86860e7e7e20723bccb [0,1,0,1,0,0|1,0,1]=4 581 B10R1.168 CC(=O)SC1CN(C1)CO ab016be46507d65a4f251da6c0d5e347 [0,1,0,1,0,0|1,0,1]=4 582 B10R1.168 CCN1CC(C1)SC(=O)C bc96013fcbf0f6b9fd7fa238c0c9c998 [0,1,0,1,0,0|1,0,1]=4 583 B10R1.59 CC(=O)N1CC(=O)SC1S f7ac69355766439a88c240f14c43f1c6 [0,1,0,1,0,0|2,0,0]=4 584 B10R1.59 CC(C)N1CC(=O)SC1S bea6878c9c20e9f2e413fa0968265ad5 [0,1,0,1,0,0|1,0,1]=4 585 B10R0.97 C/C(=C/COCSC(=O)N)/Cl 195e28129ca7cb18bf2f4bb04ca38657 [0,0,0,0,0,2|2,0,0]=4 586 B10R0.97 C/C(=C/COCSC(=O)N)/I 2315cf4125502e5dfcc6b81d68976889 [0,0,0,0,0,2|2,0,0]=4 587 B10R0.97 C=C(C)CCNCC=C(C)C f6d52c9518fe265b9a9e1aaca7fe2708 [0,0,0,0,0,2|2,0,0]=4 588 B10R0.97 C=C(C)CCOCC=C(C)C 6adeff7f616d1553757bb60c88607120 [0,0,0,0,0,2|1,1,0]=4 589 B10R0.97 C=C(C)CNCCC=C(C)C 4e78d2377c47712d349ef352d2b7a521 [0,0,0,0,0,2|2,0,0]=4 590 B10R0.97 C=C(C)CNCCSC(=O)C ee66a538881dbee0619a88dbd16b5627 [0,0,0,0,0,2|0,0,2]=4 591 B10R0.97 C=C(C)COCCC=C(C)C 61720d430602ea88404fa59003b65419 [0,0,0,0,0,2|1,1,0]=4 592 B10R0.97 C=C(C)COCCSC(=O)C 5baca87cfdc011838c2a17a163914dff [0,0,0,0,0,2|0,0,2]=4 593 B10R0.97 CC(=CCCNCC(=O)N)C 86db3d15c52af418e934838c8fc67bd8 [0,0,0,0,0,2|2,0,0]=4 594 B10R0.97 CC(=CCCNCC(=O)O)C 0d7b363e792be09b8942cfc5d1b5fa5c [0,0,0,0,0,2|2,0,0]=4 595 B10R0.97 CC(=CCCOCC(=O)N)C abbe539e0973dae981441d4cfdf51abe [0,0,0,0,0,2|1,1,0]=4 596 B10R0.97 CC(=CCCOCC(=O)O)C 4233744b61e91c90b9bb5925cc77dae1 [0,0,0,0,0,2|1,1,0]=4 597 B10R0.97 CC(=CCNC/C=C(/C)\I)C 4112c7219b05bc9175d6c80392b56263 [0,0,0,0,0,2|2,0,0]=4 598 B10R0.97 CC(=CCNC/C=C(\C)/Cl)C 5bfd299c4288d68861a091a34f1cdcd4 [0,0,0,0,0,2|2,0,0]=4 599 B10R0.97 CC(=CCNCC=C(C)C)C 5268ff3bbe5c61b69da883e308fa4f5a [0,0,0,0,0,2|2,0,0]=4 600 B10R0.97 CC(=CCNCC=C(C)Cl)C 2a6c1787729ae7c1de81b886f99b293a [0,0,0,0,0,2|2,0,0]=4 601 B10R0.97 CC(=CCNCC=C(C)I)C 8a9523bba141391bdbe3e015e48a68e5 [0,0,0,0,0,2|2,0,0]=4 602 B10R0.97 CC(=CCNCCC(=O)N)C ca3f0c9f3ed20c7534cacdddb283f474 [0,0,0,0,0,2|2,0,0]=4 603 B10R0.97 CC(=CCNCCC(=O)O)C 305012f17ed1cbe4d0a4c0e2e78d9fca [0,0,0,0,0,2|2,0,0]=4 604 B10R0.97 CC(=CCNCCS(=O)C)C 37b68f4ae726702dce9789929a96a10d [0,0,0,0,0,2|2,0,0]=4 605 B10R0.97 CC(=CCNCSC(=O)N)C 12bebf94476cbe5a001f1825838d7063 [0,0,0,0,0,2|1,0,0]=3 606 B10R0.97 CC(=CCOC/C=C(/C)\Cl)C 8607ea222aa9cde6bbf2f45034c1082d [0,0,0,0,0,2|1,1,0]=4 607 B10R0.97 CC(=CCOC/C=C(/C)\I)C e236803c65a632c8e41dab7a816a0a5a [0,0,0,0,0,2|1,1,0]=4 608 B10R0.97 CC(=CCOC/C=C(\C)/Cl)C 705724c8c4fcc8ede6be2a1ae0d64fd8 [0,0,0,0,0,2|1,1,0]=4 609 B10R0.97 CC(=CCOCC=C(C)C)C 9a74379929729fac2ffb20a61bde6077 [0,0,0,0,0,2|1,1,0]=4 610 B10R0.97 CC(=CCOCC=C(C)Cl)C 3c79cbae493156301d2f0af5dc05dedd [0,0,0,0,0,2|1,1,0]=4 611 B10R0.97 CC(=CCOCC=C(C)I)C b48ff988b62e2f7c05128c0792b11e69 [0,0,0,0,0,2|1,1,0]=4 612 B10R0.97 CC(=CCOCCC(=O)N)C cf6904fcf6c337dd48e64fcdf5a5050d [0,0,0,0,0,2|1,1,0]=4 613 B10R0.97 CC(=CCOCCC(=O)O)C 7178b614f85b130c7497af829e03f8fd [0,0,0,0,0,2|1,1,0]=4 614 B10R0.97 CC(=CCOCCS(=O)C)C 4badf937cd64e8caaa7c575e7c3792f7 [0,0,0,0,0,2|1,1,0]=4 615 B10R0.97 CC(=CCOCNC(=O)N)C 88a9c70ffc4fcc1a0095bddd9703b95f [0,0,0,0,0,2|1,1,0]=4 616 B10R0.97 CC(=CCOCSC(=O)N)C b574d7b02dded42f9e0cbf756df3e8b5 [0,0,0,0,0,2|1,0,0]=3 617 B10R0.97 CC(=CCOCSC(=O)N)I 91d6614b25adac84d9d704da59175af7 [0,0,0,0,0,2|2,0,0]=4 618 B10R0.97 CC(=O)CCNCC=C(C)C 98a9577da6bb9ca823dbcc28b508a1de [0,0,0,0,0,2|1,0,0]=3 619 B10R0.97 CC(=O)CCOC/C=C(/C)\Cl 6c04ce9713a4b5350149a62f87c72a5d [0,0,0,0,0,2|1,1,0]=4 620 B10R0.97 CC(=O)CCOC/C=C(/C)\I c22bdfc29815f754ac3821693fcd969a [0,0,0,0,0,2|1,1,0]=4 621 B10R0.97 CC(=O)CCOC/C=C(\C)/Cl a69533364bb39e3edf4b8a46d18131f8 [0,0,0,0,0,2|1,1,0]=4 622 B10R0.97 CC(=O)CCOCC=C(C)C f7c73505ed86ebd4acc34a95f4d195a3 [0,0,0,0,0,2|0,1,0]=3 623 B10R0.97 CC(=O)CCOCC=C(C)Cl 2aa6e87736f92d79b19d315c6bdb1435 [0,0,0,0,0,2|1,1,0]=4 624 B10R0.97 CC(=O)CCOCC=C(C)I 4af181e8e4236770203d190208b91114 [0,0,0,0,0,2|1,1,0]=4 625 B10R0.97 CC(=O)CNC/C=C/C(C)C c8ab3a163a3193160a2e91459f44d4b7 [0,0,0,0,0,2|1,0,1]=4 626 B10R0.97 CC(=O)CNCCC=C(C)C a53b1648e35499d9c5c99acc1f58180d [0,0,0,0,0,2|1,0,0]=3 627 B10R0.97 CC(=O)CNCCSC(=O)C d423517e32849d9a34aa0896cd824449 [0,0,0,0,0,2|1,0,1]=4 628 B10R0.97 CC(=O)COC/C=C/C(C)C 22cc4e067505e760f08821f5c23c3152 [0,0,0,0,0,2|0,1,1]=4 629 B10R0.97 CC(=O)COCCC=C(C)C 5e24a84ea3a617d30bfccfceab9a5bd4 [0,0,0,0,0,2|0,1,0]=3 630 B10R0.97 CC(=O)COCCSC(=O)C 6841ea825e53ab00e3389e3fbb3339de [0,0,0,0,0,2|1,0,1]=4 631 B10R0.97 CC(=O)NCOC/C=C(/C)\I 3839351903ac39c75a032c03d1ee52bf [0,0,0,0,0,2|1,1,0]=4 632 B10R0.97 CC(=O)NCOC/C=C(\C)/Cl 3f75a49871ad76ab35260a039be793ac [0,0,0,0,0,2|1,1,0]=4 633 B10R0.97 CC(=O)NCOCC=C(C)C c5388b1edc61a739a80c3702ef459611 [0,0,0,0,0,2|0,1,0]=3 634 B10R0.97 CC(=O)NCOCC=C(C)Cl 615159a40fa3118f8850bb1c5a4153b5 [0,0,0,0,0,2|1,1,0]=4 635 B10R0.97 CC(=O)NCOCC=C(C)I 0e4f658a3097c9dec7028cfc69500dde [0,0,0,0,0,2|1,1,0]=4 636 B10R0.97 CC(=O)OCNCC=C(C)C 0ff93b87c7efae6adddc238e236e7811 [0,0,0,0,0,2|0,1,0]=3 637 B10R0.97 CC(=O)OCOC/C=C(/C)\Cl 8f61d34a1466cde6f7682faf6d1015c1 [0,0,0,0,0,2|1,1,0]=4 638 B10R0.97 CC(=O)OCOC/C=C(/C)\I aa7790af6d8a40a856749587e060fba3 [0,0,0,0,0,2|1,1,0]=4 639 B10R0.97 CC(=O)OCOCC=C(C)C b7c83738c7d658b70cd2de896e8c6976 [0,0,0,0,0,2|0,1,0]=3 640 B10R0.97 CC(=O)OCOCC=C(C)I 2ce383be3f29ba918b21d5506fa672f8 [0,0,0,0,0,2|1,1,0]=4 641 B10R0.97 CC(=O)SCCCOC(C)C 1213911d80c5f6c39d6295be9c4f43ad [0,0,0,0,0,2|0,0,2]=4 642 B10R0.97 CC(=O)SCCNCC(C)C ae42ba8fa10ec68ac62a21d34355da30 [0,0,0,0,0,2|0,0,2]=4 643 B10R0.97 CC(=O)SCCOCC(C)C b478a0714849d4b2070e2d9fa8cf2be7 [0,0,0,0,0,2|0,0,2]=4