0 B12R1.567 C/C=C/COC1=C(CCC1=O)C 6aeee79bca11c92d3ba13bfcfef4dbc0 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.567 C/C=C/COC1=C(COC1=O)C a8913837ab5532bde6df211ba1b3d4dc [0,0,0,0,0,0|2,0,2]=4 2 B12R1.567 C/C=C/COC1=C(OCC1=O)C 9db69ce1f63c4d7c27d0df14008cbc3f [0,0,0,0,0,0|2,0,2]=4 3 B12R1.567 C/C=C\COC1=C(CCC1=O)C 3e0a4878a9df1a1c7bec8cd2d4a11334 [0,0,0,0,0,0|1,0,2]=3 4 B12R1.567 C/C=C\COC1=C(COC1=O)C 4612a8456c08b94221d5f9ce38c6c35f [0,0,0,0,0,0|2,0,2]=4 5 B12R1.567 C/C=C\COC1=C(OCC1=O)C f812cc6d68afb4a9cff1679e44f2084a [0,0,0,0,0,0|2,0,2]=4 6 B12R1.567 CC/C=C/CN1C(CCC1C)C 2733cdbaf4c860d1cf893248c1e5c0cb [0,0,0,0,0,0|2,0,2]=4 7 B12R1.567 CC/C=C/CN1[C@@H](CC[C@@H]1C)C 9a00e6fde7239956b91a06ba0d17620e [0,0,0,0,0,0|2,0,2]=4 8 B12R1.567 CC/C=C/CN1[C@@H](CC[C@H]1C)C 875e5ffb1a0fe242bd4684642840926c [0,0,0,0,0,0|2,0,2]=4 9 B12R1.567 CC/C=C/CN1[C@H](CC[C@@H]1C)C 7429955c8ae26a042126508754560b3f [0,0,0,0,0,0|2,0,2]=4 10 B12R1.567 CC1=C(C(=O)CC1)OC/C=C/Cl 66c5effafc4c263e4b58f5a2cd012dc7 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.567 CC1=C(C(=O)CC1)OC/C=C\Cl 82c44ef1cc2662e6684f5130cd0d4903 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.567 CC1=C(C(=O)CC1)OCCCF cea5a1b5db01e490907c6fde71d3faba [0,0,0,0,0,0|2,0,2]=4 13 B12R1.567 CC1=C(C(=O)CC1)OCCCS 832d47da15f8bdca8582c0e5c1a529a1 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.567 CCCCOC1=C(CCC1=O)C 1857de2b4afba9ed3feabdd926481b76 [0,0,0,0,0,0|1,0,2]=3 15 B12R1.567 CCCCOC1=C(COC1=O)C c62fa854eef2d6277e592ceab51526e4 [0,0,0,0,0,0|2,0,2]=4 16 B12R1.567 CCCCOC1=C(OCC1=O)C da421e3701c2a0ff7de376d450e9b960 [0,0,0,0,0,0|2,0,2]=4 17 B12R1.567 CCCOC=C1C(=O)CCC1=O aee9a31d6708c90378979768ef7a15d4 [0,0,0,0,0,0|2,0,2]=4 18 B12R1.567 CCCOCN1C(=O)CCC1=O a9a234a7c78c0d79c910955f42172569 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.567 CCNCCc1c([nH][nH]c1=O)C 3b5aba9efa0cfb01527df31ee5dd9f06 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.567 CCOCCN1C(=O)CCC1=O 3a2f4298f48406d1933c744c0a8e78b2 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.567 CCOCCc1c([nH][nH]c1=O)C ee4694f0ab4eedb23b2f8bf419e16bfe [0,0,0,0,0,0|3,0,1]=4 22 B12R1.567 CCOCOC1=C(CCC1=O)C 48c08428e07510399682dbf5d59e9d52 [0,0,0,0,0,0|2,0,1]=3 23 B12R1.567 CCOCOC1=C(OCC1=O)C 2c59772592fa4d27642b1cfb885792f2 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.567 COCCOC1=C(CCC1=O)C 45e3aa6e7578e5db5a033294dfc4ff0b [0,0,0,0,0,0|2,0,2]=4 25 B12R1.567 CSCCOC1=C(CCC1=O)C 281e79f83972a4173d11ffc700f7c2f8 [0,0,0,0,0,0|2,0,2]=4 26 B11R1.180 C/C=C/COC1=CCCC1=O cdc8031d0c2d1043a731af735965cb4f [1,0,0,0,0,0|1,0,2]=4 27 B11R1.180 C/C=C\COC1=CCCC1=O d774cec9a84630c0c53611acc181e296 [1,0,0,0,0,0|1,0,2]=4 28 B11R1.180 CC/C=C/CN1CCCC1C 4c5b655e79e3f4fbdf4f420a3122049a [1,0,0,0,0,0|1,0,2]=4 29 B11R1.180 CC/C=C/CN1CCC[C@@H]1C ed4bb17962041fd6aa5ddbb2efcf7842 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.180 CC/C=C/CN1CCC[C@H]1C 0ba68089ba3f37c679502c085af76bed [1,0,0,0,0,0|1,0,2]=4 31 B11R1.180 CCCCOC1=CCCC1=O 6b420cb525b655e18770337b40a14027 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.180 CCCOCC1=CCCC1=O 08399b9b19d3cb72be765f40d7a631c2 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.180 CCOCOC1=CCCC1=O cf6e2dcfe758b833b17b4cb843b7e0d1 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.180 COCOCC1=CCCC1=O 4a84475a6a4c42120bdd54f8e6fe927b [1,0,0,0,0,0|2,0,1]=4 35 B11R1.180 CSCOCC1=CCCC1=O 368b5be07d88944a95431d2f4e07d432 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.180 O=C1CCC=C1COCCF 6fce4bc42f812e049a5958d10c75bb1f [1,0,0,0,0,0|2,0,1]=4 37 B11R1.180 O=C1CCC=C1COCCS 5b16b8ce9500a9580ed52dfb34bd3a8e [1,0,0,0,0,0|2,0,1]=4 38 B11R1.465 C=CCOC1=C(CCC1=O)C e92f48cf601091906076c4a42b6c2345 [1,0,0,0,0,0|1,0,2]=4 39 B11R1.465 CC1=C(C(=O)CC1)OCC=O 4933ffa9436d449d772e34ac2016af86 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.465 CC1=C(C(=O)CC1)OCCF 99f4ed6569dd7586ace65bb2488b3c80 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.465 CC1=C(C(=O)CC1)OCCS 7fb4f8dbe4b96d8587f8310f8da0490c [1,0,0,0,0,0|2,0,1]=4 42 B11R1.465 CCCOC1=C(CCC1=O)C 343adbdaa8ad4b9c7d00e4b83ec30fc3 [1,0,0,0,0,0|1,0,1]=3 43 B11R1.465 CCCOC1=C(COC1=O)C f168f1c97da0e398a09606a2464dbb9b [1,0,0,0,0,0|2,0,1]=4 44 B11R1.465 CCCOC1=C(OCC1=O)C 331405f9365f304f12472c39d9bd19e6 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.465 CCOC=C1C(=O)CCC1=O c1056171cc794a378026ccf65ed9c94e [1,0,0,0,0,0|2,0,0]=3 46 B11R1.465 CCOCN1C(=O)CCC1=O c4fae9bfa68c1408901588c7ae4cb34f [1,0,0,0,0,0|3,0,0]=4 47 B11R1.465 COCOC1=C(CCC1=O)C 18eb33261674239cc81cb6b448e70b6b [1,0,0,0,0,0|2,0,1]=4 48 B11R1.465 CSCOC1=C(CCC1=O)C 3568b7fb89f44790c9253bfe243231c4 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.465 O=C1CCC(=O)C1=COCF 1d387623665d3fc0336639b323dfdd33 [1,0,0,0,0,0|3,0,0]=4 50 B13R1.1133 CC/C=C/CNc1c(n[nH]c1C)C 4088933226ab43e977381f9865b1eebe [0,1,0,0,0,0|3,0,0]=4 51 B13R1.1133 CC/C=C/CNc1c(n[nH]c1Cl)C 839de7d179b22823f35976885043012a [0,1,0,0,0,0|3,0,0]=4 52 B13R1.1133 CC/C=C/CNc1c(noc1C)C 6e3193424169bd69535617063a63cca3 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.1133 CC/C=C/COC1=C(CCC1=O)C d4c653806ae7a13420375d2035aa866b [0,1,0,0,0,0|0,0,0]=1 54 B13R1.1133 CC/C=C/COC1=C(COC1=O)C a9f1ffc2fb8401190f8f68a5c9843125 [0,1,0,0,0,0|1,0,0]=2 55 B13R1.1133 CC/C=C/COC1=C(OCC1=O)C 8c9a71a3d6157dc0d499ecd23b939c38 [0,1,0,0,0,0|1,0,0]=2 56 B13R1.1133 CC/C=C/COC1C(=O)CCC1=O 89e3076a7c70c80d75eb2f03690e5f73 [0,1,0,0,0,0|1,0,1]=3 57 B13R1.1133 CC/C=C/COC1C(=O)COC1=O d977407da32715b9fe34f36948d6f149 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.1133 CC/C=C/COc1c(n[nH]c1C)C 79004dcb5aabd8d330ea8bdf0750bfe7 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.1133 CC/C=C/COc1c(noc1C)C 820aea7133ab241656aabbdb5907549e [0,1,0,0,0,0|3,0,0]=4 60 B13R1.1133 CC/C=C\COC1C(=O)CCC1=O fc190601c0a41c851a09e58dc93fb5e1 [0,1,0,0,0,0|1,0,1]=3 61 B13R1.1133 CC/C=C\COC1C(=O)COC1=O cfaa60b287dfc0e812a2131dc8251f4f [0,1,0,0,0,0|2,0,1]=4 62 B13R1.1133 CC1=C(C(=O)CC1)OCC=CC#N 54884e9de62f95673c3db5d6b94199d5 [0,1,0,0,0,0|1,0,1]=3 63 B13R1.1133 CC1=C(C(=O)CC1)OCCCCF e09ffac32739677fbc44be6d94df6ecf [0,1,0,0,0,0|1,0,2]=4 64 B13R1.1133 CC1=C(C(=O)CO1)OCC=CC#N 157cd7c935843b13d379a17783b0a05a [0,1,0,0,0,0|2,0,1]=4 65 B13R1.1133 CC1=C(C(=O)OC1)OCC=CC#N ec082ff71b89b7f32b37534059f3326b [0,1,0,0,0,0|2,0,1]=4 66 B13R1.1133 CCCCCOC1=C(CCC1=O)C 632741ce01b4a27442fb5d83bc2824c6 [0,1,0,0,0,0|0,0,2]=3 67 B13R1.1133 CCCCCOC1=C(OCC1=O)C d54abf9d340a1c74a00f06e91812d8c5 [0,1,0,0,0,0|1,0,2]=4 68 B13R1.1133 CCOCCOC1=C(CCC1=O)C ccf1146d148648a5f1e46cf17722823d [0,1,0,0,0,0|1,0,1]=3 69 B13R1.1133 CCOCCOC1=C(COC1=O)C 5deecc3914655f2e85d8dc1c26e5615c [0,1,0,0,0,0|2,0,1]=4 70 B13R1.1133 CCOCCOC1=C(OCC1=O)C ec35bf3390f2467ef3df95757eb4600b [0,1,0,0,0,0|2,0,1]=4 71 B13R1.1133 CCSCCOC1=C(CCC1=O)C 4f425cfb227129297cc36054d29417a3 [0,1,0,0,0,0|1,0,1]=3 72 B13R1.1133 CCSCCOC1=C(COC1=O)C 9944dcc0931fc54a83cff44f75e7def0 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.1133 CCSCCOC1=C(OCC1=O)C 12c0c294e6c854eb111e4b371cd264fd [0,1,0,0,0,0|2,0,1]=4 74 B13R1.1133 COCCCOC1=C(CCC1=O)C a453d56fc7fdebba1f9c3c005a19ca1d [0,1,0,0,0,0|1,0,2]=4 75 B13R1.1133 CSCCCOC1=C(CCC1=O)C c778f4fddc14bdd7a84307ddaf9ff156 [0,1,0,0,0,0|1,0,2]=4 76 B13R1.2042 C=C(CC)COC1=C(CCC1=O)C 0c425da4f46e47b3d2b1c783671950d0 [0,1,0,0,0,0|1,0,1]=3 77 B13R1.2042 C=C(CC)COC1=C(OCC1=O)C 39332c38a6892037fe1a2125e43f5638 [0,1,0,0,0,0|2,0,1]=4 78 B13R1.2042 C=C(COC1=C(CCC1=O)C)OC 6c239d0804105b4061e8f841ca537419 [0,1,0,0,0,0|2,0,1]=4 79 B13R1.2042 CCC(=O)COC1=C(CCC1=O)C 531de18e187d024cbdc5b6140815a1ed [0,1,0,0,0,0|1,0,1]=3 80 B13R1.2042 CCC(=O)COC1=C(COC1=O)C 99819263aad71410b10bc3150cdd5855 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.2042 CCC(=O)COC1=C(OCC1=O)C 2034821b8a1532173a3c12e0d3e48c19 [0,1,0,0,0,0|2,0,1]=4 82 B13R1.2042 CCC(C)COC1=C(CCC1=O)C cef3cca82165b87e2e81b13639b59a8f [0,1,0,0,0,0|1,0,2]=4 83 B13R1.2042 CC[C@@H](C)COC1=C(CCC1=O)C 75255a9bebabdfe996830745c0cde5f3 [0,1,0,0,0,0|1,0,2]=4 84 B13R1.2042 CC[C@H](C)COC1=C(CCC1=O)C 32a7430e2692836926290bae535a52c0 [0,1,0,0,0,0|1,0,2]=4 85 B13R1.2042 CNC(=O)COC1=C(CCC1=O)C 6410fee7874ae57c4626c9e916d0a3cb [0,1,0,0,0,0|2,0,1]=4 86 B13R1.2042 COC(=O)COC1=C(CCC1=O)C 7ef65b6db37fbeefe685adfc5155d992 [0,1,0,0,0,0|2,0,1]=4 87 B13R1.2565 CCCC(C)OC1=C(CCC1=O)C 64b042f1502e80214a4ebb3d81984796 [0,1,0,0,0,0|1,0,2]=4 88 B13R1.2923 C/C=C/COC1=C(CCC1=O)CC 3f513b4ac440543e437da2e2aeb9a7e1 [0,1,0,0,0,0|1,0,2]=4 89 B13R1.2923 C/C=C\COC1=C(CCC1=O)CC d1bc3526c068623763b1fdec30317b8e [0,1,0,0,0,0|1,0,2]=4 90 B13R1.2923 CCCCOC1=C(CCC1=O)CC 09d738c9de3c1ab793df658f91b5bdea [0,1,0,0,0,0|1,0,2]=4 91 B13R1.2923 CCOCOC1=C(CCC1=O)CC 421a7b08bdd1733f0fef31131e1cdd6e [0,1,0,0,0,0|2,0,1]=4 92 B13R1.3529 CC(=CCOC1=C(CCC1=O)C)C 2c55109f6e21497a0cd1324312c91bff [0,1,0,0,0,0|1,0,2]=4 93 B13R1.3529 CC(=CCOC1=C(CCC1=O)C)Cl d43c4083b517d6fbb3de61795f814986 [0,1,0,0,0,0|1,0,2]=4 94 B13R1.3529 CC(=CCOC1=C(CCC1=O)C)I 8d88e32f1775e1a86bcc9d2bfcd0b2f0 [0,1,0,0,0,0|1,0,2]=4 95 B13R1.3529 CC1=C(C(=O)CC1)OC/C=C(/C)\I 3d92e94d3d68d706100097af131be500 [0,1,0,0,0,0|1,0,2]=4 96 B13R1.3529 CC1=C(C(=O)CC1)OC/C=C(\C)/Cl f2de97b020a66f31972da9273e3572cd [0,1,0,0,0,0|1,0,2]=4 97 B13R1.3529 CC1=C(C(=O)CC1)OCCC(C)C cc67b4683fea4086bd972823292d8039 [0,1,0,0,0,0|1,0,2]=4 98 B13R1.3529 CC1=C(C(=O)CC1)OCOC(C)C 2ccdc3915c3968b1c01a3dae35bccf2b [0,1,0,0,0,0|2,0,1]=4 99 B13R1.6200 C/C=C/COC1=C(C(CC1=O)C)C 626679ceb41be7ec48765a0dd3b1cf40 [0,1,0,0,0,0|1,0,2]=4 100 B13R1.6200 C/C=C\COC1=C(C(CC1=O)C)C 5ba19913eaffea76ec92cc6b26de6336 [0,1,0,0,0,0|1,0,2]=4 101 B13R1.6200 CCCCOC1=C(C(CC1=O)C)C 0306121706e2caf648f561b7b6463436 [0,1,0,0,0,0|1,0,2]=4 102 B13R1.6200 CCOCOC1=C(C(CC1=O)C)C 83bbecb763e87ef7dc403b88001df6a7 [0,1,0,0,0,0|2,0,1]=4 103 B11R0.81 C=CCCC(C)OC/C=C/CC 3cffd611231ded2c5b106f5b546ba14e [0,0,1,0,0,0|2,0,1]=4 104 B11R0.81 C=CCCC(C)OC/C=C\CC 28186ad164acf2df92fb8a2063b2c3a8 [0,0,1,0,0,0|2,0,1]=4 105 B11R0.81 C=CCCN(C)CC/C=C\CC 1ed4eb864fac167dc77f395efacf051d [0,0,1,0,0,0|2,0,1]=4 106 B11R0.81 C=CCC[C@@H](C)OC/C=C/CC 6984ad66de91f9f4e375b2c288005a24 [0,0,1,0,0,0|2,0,1]=4 107 B13R2.322 CCNc1nc2c(s1)C(=O)CC2 ce2027321ee3884b1d025fd12c81a8a0 [0,0,0,1,0,0|3,0,0]=4 108 B13R2.2350 CC1=C(C(=O)CC1)OCC2CC2 f6cf9e9f70692bcd18bd0a00a25e1f27 [0,0,0,1,0,0|1,0,2]=4 109 B13R2.3068 CC1=C(C(=O)CC1)OC2CCC2 991aa2fec213bcf341dc3ee2a7640885 [0,0,0,1,0,0|1,0,2]=4 110 B13R1.656 CC/C=C/CN1CC(=O)NCC1C 36b851c2cafbd7e2ee7d492ac84a12f2 [0,0,0,0,0,1|2,0,1]=4 111 B13R1.656 CC/C=C/CN1CC(=O)NC[C@@H]1C aa7372389f3d5e1db1667e6f2bf4c609 [0,0,0,0,0,1|2,0,1]=4 112 B13R1.656 CC/C=C/CN1CC(=O)NC[C@H]1C a475ca689eb01de169114171c3120daf [0,0,0,0,0,1|2,0,1]=4 113 B10R0.83 CC/C=C/CC(=O)N(C)CC c80e52edcb52a864b0e15882a228900d [1,0,1,0,0,0|1,0,0]=3 114 B10R0.83 CC/C=C\CC(=O)N(C)CC 6c756569a20f7c6159ed32ffa1876fdd [1,0,1,0,0,0|1,0,0]=3 115 B10R0.83 CCC=CCC(=O)N(C)CC 0867c6d01d437ca25e1feb0af2e91fb3 [1,0,1,0,0,0|1,0,0]=3 116 B10R0.1 CC/C=C/COC(=S)CCC 70ec4c0977dbca2d1155ab6d62691382 [1,0,1,0,0,0|1,1,0]=4 117 B10R0.71 CC/C=C/CCOCCC=O 6872b8e489d755d1798fb75aec622df4 [1,0,1,0,0,0|1,0,1]=4 118 B10R0.71 CC/C=C/COCCCC=O 829bce9be10f62a1676336886e3aa317 [1,0,1,0,0,0|1,0,1]=4 119 B10R0.71 CC/C=C\CCOCCC=O d85d7dfe4e2e6e8d032a753a156249ad [1,0,1,0,0,0|1,0,1]=4 120 B10R0.71 CC/C=C\COCCCC=O 7aa3cddfd58e704fd000ac2756cf879c [1,0,1,0,0,0|1,0,1]=4 121 B10R0.91 C=CCCC(=O)NCC=CC 9b90000dc1abfa86f77ea4336163f40e [1,0,1,0,0,0|1,0,1]=4 122 B10R0.91 C=CCCN(C)C/C=C/CC b40122ed6167b969169d24779cc6f84a [1,0,1,0,0,0|2,0,0]=4 123 B10R0.91 CC/C=C/CC(=O)NCCC b0c6d67b89af1fa4f0f3663914f15094 [1,0,1,0,0,0|1,0,1]=4 124 B10R0.91 CC/C=C\CC(=O)NCCC 9766dbc28eb370933ff877484a58deff [1,0,1,0,0,0|1,0,1]=4 125 B10R0.91 CC=CCNC(=O)C/C=C/C 1592cfb1af13bdc38222d3010bba57ad [1,0,1,0,0,0|1,0,1]=4 126 B10R0.91 CC=CCNC(=O)CCC=O e21dba633465de55a406d95d8dac882a [1,0,1,0,0,0|2,0,0]=4 127 B10R0.91 CC=CCNC(=O)CCCC 4d197d152214c72ad748c812327bf472 [1,0,1,0,0,0|1,0,1]=4 128 B10R0.91 CC=CCNC(=O)CCOC 8100567a8365bdab7f72f7f16a79c1b4 [1,0,1,0,0,0|2,0,0]=4 129 B10R0.91 CC=CCNC(=O)CCSC 34418afd58ba61b8397323ce3936bd82 [1,0,1,0,0,0|2,0,0]=4 130 B10R0.91 CCC=CCC(=O)NCCC b4918c368f0d79faa2e9aca1f273b1d5 [1,0,1,0,0,0|1,0,1]=4 131 B10R1.29 CCCOC1=CCCC1=O fadefa381d9ba1fee3a737cdc60aa0fe [2,0,0,0,0,0|1,0,1]=4 132 B10R1.29 CCOCC1=CCCC1=O 1b35cb27c216af6dbf9fafa3e8334a80 [2,0,0,0,0,0|1,0,0]=3 133 B10R1.29 O=C1CCC=C1COCF af5d5b1ac108026b75e1a6a0b5e6d92d [2,0,0,0,0,0|2,0,0]=4 134 B10R1.187 CC1=C(C(=O)CC1)OCF 4fa14705d9ae2e6d4a0c4388a5041f63 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.187 CCOC1=C(CCC1=O)C 877574aefbd7a31815c4e68472764f4f [2,0,0,0,0,0|1,0,0]=3 136 B10R1.187 CCOC1=C(COC1=O)C c6fae95d7fd3abc2a42c4629036483f4 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.187 CCOC1=C(OCC1=O)C bcb1ae7900548a4a549377eafa9305ca [2,0,0,0,0,0|2,0,0]=4 138 B12R0.200 CC/C=C/COC(CC)C(=O)CC 87c1a69dda8381705af099d6863b5bbf [0,1,1,0,0,0|0,0,2]=4 139 B12R0.206 CC/C=C/COCC(=O)CCSC f6e46595108d373f6e2ef84488fdadb5 [0,1,1,0,0,0|1,0,1]=4 140 B12R0.206 CC/C=C\COCC(=O)CCSC 8f891d725baab0bf0e7d2ffa48c7c5a8 [0,1,1,0,0,0|1,0,1]=4 141 B12R0.255 CC/C=C/COC(C)CCC(=O)O 5853737fc2a3cd189381586c558d6255 [0,1,1,0,0,0|1,0,1]=4 142 B12R0.255 CC/C=C\CCN(C)CCC(=O)N cae3ea1100913674f3dd1f5dbbff69ea [0,1,1,0,0,0|1,0,1]=4 143 B12R0.255 CC/C=C\CCN(C)CCC(=O)O 805d27af8b4b068107e4178b92d21a3c [0,1,1,0,0,0|1,0,1]=4 144 B12R0.255 CC/C=C\COC(C)CCC(=O)O 9af396c86547fbd5d021c720bd8f4e59 [0,1,1,0,0,0|1,0,1]=4 145 B12R0.648 C=CCCN(C)C(=O)C/C=C/CC e92028a80cc71be4a13a3ebe90815fee [0,1,1,0,0,0|2,0,0]=4 146 B12R0.648 C=CCCN(C)C(=O)C/C=C\CC 6ed937c7162a4118972637685dced94b [0,1,1,0,0,0|2,0,0]=4 147 B12R0.648 C=CCCN(C)C(=O)CC=CCC cdcc6188c9adb145beaa1ce836744813 [0,1,1,0,0,0|2,0,0]=4 148 B12R0.112 CC/C=C/COC(C(=O)C)C(=O)C 559559d0709cd8d18782178efb90dba1 [0,1,1,0,0,0|1,0,1]=4 149 B12R0.112 CC/C=C\COC(C(=O)C)C(=O)C ccf3067e75125e08c6df1d79045500df [0,1,1,0,0,0|1,0,1]=4 150 B12R1.130 CC(C)COCC1=CCCC1=O 74103484ca788ffb0f18dcf55f659c73 [1,1,0,0,0,0|1,0,1]=4 151 B12R1.353 C=C(CC)COC1=CCCC1=O abf44142ea6f5d7cf6db228c28509a31 [1,1,0,0,0,0|1,0,1]=4 152 B12R1.353 CCC(=O)COC1=CCCC1=O c57382958b468f69485cb8dbc3390cce [1,1,0,0,0,0|1,0,1]=4 153 B12R1.353 CCC(C)OCC1=CCCC1=O 4ef462640bbde62c6ef1acaffe7f74e0 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.372 C/C=C/COCC1=CCCC1=O c6913231f84301100ec1ea8e873c00a5 [1,1,0,0,0,0|0,0,2]=4 155 B12R1.372 C/C=C\COCC1=CCCC1=O 2da4769605c3292c9a9afaf9acfc1a51 [1,1,0,0,0,0|0,0,2]=4 156 B12R1.372 CC/C=C/CNc1c[nH]nc1C 325faafa5a8f52dfd4b175cafe9fa550 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.372 CC/C=C/CNc1ccsc1C b69056a70e8a868ba0389de691b0422a [1,1,0,0,0,0|1,0,1]=4 158 B12R1.372 CC/C=C/CNc1cnoc1C 7448a7974837bdb0fbcd896626e6375b [1,1,0,0,0,0|2,0,0]=4 159 B12R1.372 CC/C=C/CNc1conc1C 5de4858af2866c56d789f2f72e806fa7 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.372 CC/C=C/CNc1cscc1C aebd1af06490b6dc4e0dd497dff45645 [1,1,0,0,0,0|1,0,1]=4 161 B12R1.372 CC/C=C/CNc1csnc1C 5c6f9384c9cc07ab304cea4839c8a8c5 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.372 CC/C=C/COC1=CCCC1=O 1844e0fa6d27c33fb1c9a8ac7049953c [1,1,0,0,0,0|0,0,0]=2 163 B12R1.372 CC/C=C/COC1CCCC1=O bdb89044b248d3b753abfafb8d15730f [1,1,0,0,0,0|0,0,2]=4 164 B12R1.372 CC/C=C/COc1cn[nH]c1C da03e0b4017bc442cd33d954724c006d [1,1,0,0,0,0|2,0,0]=4 165 B12R1.372 CC/C=C\COC1CCCC1=O 5fdad308191915844741d6c4db0b39c5 [1,1,0,0,0,0|0,0,2]=4 166 B12R1.372 CCCCCOC1=CCCC1=O aced0a663d03525810afb4d7d1fd266e [1,1,0,0,0,0|0,0,2]=4 167 B12R1.372 CCCCOCC1=CCCC1=O 021c1b15205db97e8b40d819f0fded41 [1,1,0,0,0,0|0,0,2]=4 168 B12R1.372 CCOCCOC1=CCCC1=O 41f2e8fcf02b3fda2952dfb46c050360 [1,1,0,0,0,0|1,0,1]=4 169 B12R1.372 CCSCCOC1=CCCC1=O f5d8908dead934779bc6da8153eab64c [1,1,0,0,0,0|1,0,1]=4 170 B12R1.372 COCCOCC1=CCCC1=O f5a3e860baa3eff45bd02f798b92aee1 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.372 CSCCOCC1=CCCC1=O ae3360d6126707793d71e41c248271fe [1,1,0,0,0,0|1,0,1]=4 172 B12R1.372 N#CC=CCOC1=CCCC1=O cc56f273c4bb3d7594f10b9b86ba3a4a [1,1,0,0,0,0|1,0,1]=4 173 B12R1.372 O=C1CCC=C1COCCCF e7a5c7f8f4828eaa4a39eb13660a2b22 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.372 O=C1CCC=C1COCCCS 05a3e288340f88a49447d6ef7b8e9e64 [1,1,0,0,0,0|1,0,1]=4 175 B12R1.803 CCCOC1=C(CCC1=O)CC e3330aeebfa4bbb4539d9723213f7bad [1,1,0,0,0,0|1,0,1]=4 176 B12R1.895 C=C(C)COC1=C(CCC1=O)C bee97e853b3e40393dc19095340c1740 [1,1,0,0,0,0|1,0,1]=4 177 B12R1.895 CC(C)OC=C1C(=O)CCC1=O 8a759f22b64246d9b1cea2308277997e [1,1,0,0,0,0|2,0,0]=4 178 B12R1.895 CC1=C(C(=O)CC1)OCC(C)C 400a964f417e70a1228d2dc22700b2dc [1,1,0,0,0,0|1,0,1]=4 179 B12R1.1624 CCCOC1=C(C(CC1=O)C)C dd9b67d1afb2ae6c1f553a756784ccfb [1,1,0,0,0,0|1,0,1]=4 180 B12R1.2217 CCC(C)OC1=C(CCC1=O)C 49cfc34cf2d607f1112d34cb8c055dc6 [1,1,0,0,0,0|1,0,1]=4 181 B14R1.218 CC/C=C/CNc1cc(n[nH]c1=O)C 8e5ac1eb1149e645548d6f0a07912c39 [0,1,0,0,0,1|2,0,0]=4 182 B14R1.218 CC/C=C/CNc1nc(=O)[nH]cc1C 39377bc8f8f69567bc9134523518c8b9 [0,1,0,0,0,1|1,0,1]=4 183 B14R1.218 CC/C=C/CNc1nc(=O)[nH]nc1C 9fef277a847bae9cefb8ba51ec342c31 [0,1,0,0,0,1|2,0,0]=4 184 B14R1.218 CC/C=C/CNc1nc(c[nH]c1=O)C 152a386fbebe16d29627c729dea0892e [0,1,0,0,0,1|1,0,1]=4 185 B14R1.20339 CC/C=C/CNc1c(nc[nH]c1=O)C e9fa247ff5d6884e0878fc309983e401 [0,1,0,0,0,1|1,0,1]=4 186 B14R1.20339 CC/C=C/COC1C(=O)CCCC1=O 65fdead6944982cad9a2da9464d779b6 [0,1,0,0,0,1|1,0,1]=4 187 B14R1.20339 CC/C=C/COc1c([nH]ccc1=O)C 7455ac77066941eca92ff80abfef1374 [0,1,0,0,0,1|0,0,2]=4 188 B14R1.20339 CC/C=C/COc1c(occc1=O)C 2ec08260d0fda78a766e3b97b7798e6a [0,1,0,0,0,1|0,0,2]=4 189 B14R1.20339 CC/C=C\COC1C(=O)CCCC1=O 1323123365b5a69c3ae9afc1efe6e422 [0,1,0,0,0,1|1,0,1]=4 190 B14R1.1237 C/C=C\CCCOC1=C(CCC1=O)C 8f400c4c3810e62e61d8ebc35ca8f074 [0,2,0,0,0,0|0,0,2]=4 191 B14R1.1237 CC/C=C/CCOC1C(=O)CCC1=O 43da419562977dac34179713a5df4c2e [0,2,0,0,0,0|1,0,1]=4 192 B14R1.1237 CC/C=C/COC=C1C(=O)CCC1=O 6a365c512e961016f8e541633ad56291 [0,2,0,0,0,0|1,0,0]=3 193 B14R1.1237 CC/C=C/COCN1C(=O)CCC1=O bd73a4a629d1a017690c5afc962af0e1 [0,2,0,0,0,0|2,0,0]=4 194 B14R1.1237 CC/C=C\CCOC1=C(CCC1=O)C c7a5a9f776b7d379e91e271744eb3e51 [0,2,0,0,0,0|0,0,0]=2 195 B14R1.1237 CC/C=C\CCOC1=C(COC1=O)C e6da2f5f2c1efe201628d3ec8f5c091c [0,2,0,0,0,0|1,0,0]=3 196 B14R1.1237 CC/C=C\CCOC1=C(OCC1=O)C 536ab3f407bd04b44c055abd83cee868 [0,2,0,0,0,0|1,0,0]=3 197 B14R1.1237 CC/C=C\CCOC1C(=O)CCC1=O 9744bda655986b25759e820298138540 [0,2,0,0,0,0|1,0,1]=4 198 B14R1.1237 CC1=C(C(=O)CC1)OCCCCCF 682aaad0c948ab45c9263ecb2729898b [0,2,0,0,0,0|0,0,2]=4 199 B14R1.1237 CCC/C=C/COC1=C(CCC1=O)C 393e35aa37b588b65e794b60697ced8d [0,2,0,0,0,0|0,0,0]=2 200 B14R1.1237 CCC/C=C/COC1=C(COC1=O)C 05367222a71f61a88edf288df97a3c84 [0,2,0,0,0,0|1,0,0]=3 201 B14R1.1237 CCC/C=C/COC1=C(OCC1=O)C 7c36dd5df60f67084236040711f35117 [0,2,0,0,0,0|1,0,0]=3 202 B14R1.1237 CCC/C=C/COC1C(=O)CCC1=O 8369591a7aaca43a79c69e5aff226925 [0,2,0,0,0,0|1,0,1]=4 203 B14R1.1237 CCC/C=C\COC1=C(CCC1=O)C 9aaf3e88565b4d7613a1ef437686250a [0,2,0,0,0,0|0,0,0]=2 204 B14R1.1237 CCC/C=C\COC1=C(COC1=O)C 90932fce088d4fae2d5f708bd572693e [0,2,0,0,0,0|1,0,0]=3 205 B14R1.1237 CCC/C=C\COC1=C(OCC1=O)C f92e275227d82c007a07bb1d6f51cda1 [0,2,0,0,0,0|1,0,0]=3 206 B14R1.1237 CCC/C=C\COC1C(=O)CCC1=O 62a315a6722546649db801da233503d8 [0,2,0,0,0,0|1,0,1]=4 207 B14R1.1237 CCCCCCOC1=C(CCC1=O)C b3c175511d52545eb988b6a6dd14cc4e [0,2,0,0,0,0|0,0,2]=4 208 B14R1.1237 CCCCOCOC1=C(CCC1=O)C 48d6b6c43e45d6b26369903336f2af4d [0,2,0,0,0,0|0,0,2]=4 209 B14R1.1237 CCCOCCOC1=C(CCC1=O)C 3cbde6148f46b5cb3bc16e6dcd527d8e [0,2,0,0,0,0|0,0,2]=4 210 B14R1.1237 CCOCCCOC1=C(CCC1=O)C 87518deec98beb7cb30dfacf4a66c170 [0,2,0,0,0,0|0,0,2]=4 211 B14R1.1237 CCSCCCOC1=C(CCC1=O)C 3bf8173ccc115ce0967234b8b795abfc [0,2,0,0,0,0|0,0,2]=4 212 B14R1.1237 COCCCCOC1=C(CCC1=O)C 1440b046677272eb82f37790343129e6 [0,2,0,0,0,0|0,0,2]=4 213 B14R1.1237 COCCOCOC1=C(CCC1=O)C 9519ec2769306de739b6e337d9608343 [0,2,0,0,0,0|1,0,1]=4 214 B14R1.1237 COCOCCOC1=C(CCC1=O)C a603c8eef1654a361b0a1244f5e5c2af [0,2,0,0,0,0|1,0,1]=4 215 B14R1.6507 CC/C=C/COC1=C(CCC1=O)CC ae1d66db7202c1547d6c9223d4a9c10d [0,2,0,0,0,0|0,0,0]=2 216 B14R1.6507 CCC1=C(C(=O)CC1)OCC=CC#N 87b12ae93f21a9ad865fe5fccae23989 [0,2,0,0,0,0|1,0,1]=4 217 B14R1.6507 CCCCCOC1=C(CCC1=O)CC b6f31f12cd93e0cf5ed5319f65461053 [0,2,0,0,0,0|0,0,2]=4 218 B14R1.6507 CCOCCOC1=C(CCC1=O)CC 018db8d4f66dc2fd9ef04b71fd172322 [0,2,0,0,0,0|1,0,1]=4 219 B14R1.6507 CCSCCOC1=C(CCC1=O)CC 98f2a81e5cedc32812aae615aedce671 [0,2,0,0,0,0|1,0,1]=4 220 B14R1.7648 CCC(=O)OCOC1=C(CCC1=O)C 0faaf635fb686495d84ee1d8932e7f78 [0,2,0,0,0,0|1,0,0]=3 221 B14R1.7648 CCC(=O)OCOC1=C(COC1=O)C aa09086a06d01cd6604f8586ceb595a0 [0,2,0,0,0,0|2,0,0]=4 222 B14R1.7648 CCC(=O)OCOC1=C(OCC1=O)C 049277aee4e395b30ee9943a9b89e88e [0,2,0,0,0,0|2,0,0]=4 223 B14R1.7648 CCC(C)CCOC1=C(CCC1=O)C c14f3a012efda11975eebc5618df9361 [0,2,0,0,0,0|0,0,2]=4 224 B14R1.7648 CCS(=O)CCOC1=C(CCC1=O)C 630b673f3e10fd135a0885b2dd3e45ab [0,2,0,0,0,0|1,0,1]=4 225 B14R1.7648 CNC(=O)CCOC1=C(CCC1=O)C 3415b38ca17e985e515bcd888705cf19 [0,2,0,0,0,0|1,0,1]=4 226 B14R1.7648 COC(=O)CCOC1=C(CCC1=O)C 761e633e1980873b703e1490d6f0088e [0,2,0,0,0,0|1,0,1]=4 227 B14R1.7648 COC(=O)OCOC1=C(CCC1=O)C 1a6456ba3b9ef189f6f882943f6c7c05 [0,2,0,0,0,0|2,0,0]=4 228 B14R1.9532 CC(=CCCOC1=C(CCC1=O)C)C b463b36504fedf90a039a453638e7fc3 [0,2,0,0,0,0|0,0,2]=4 229 B14R1.9532 CC1=C(C(=O)CC1)OC/C=C/C(=O)O d76d989b70b2c30cdef57adaadfc6d6d [0,2,0,0,0,0|1,0,1]=4 230 B14R1.9532 CC1=C(C(=O)CC1)OC/C=C/C(C)C a79ba5b3285b8187c0e888c3ad2d8d61 [0,2,0,0,0,0|0,0,0]=2 231 B14R1.9532 CC1=C(C(=O)CC1)OCC=CC(=O)O 1a5a6ef64fdf1e00a430b0ba77481638 [0,2,0,0,0,0|1,0,1]=4 232 B14R1.9532 CC1=C(C(=O)CC1)OCCCC(C)C e9934eb1ee55e5bb5eee8b96d956a34a [0,2,0,0,0,0|0,0,2]=4 233 B14R1.9532 CC1=C(C(=O)CC1)OCCOC(C)C 49bc410ce480cd1d93b6c74d714c91d2 [0,2,0,0,0,0|1,0,1]=4 234 B14R1.9532 CC1=C(C(=O)CC1)OCCSC(C)C d275b906649de0ba48449643d416c5e2 [0,2,0,0,0,0|1,0,1]=4 235 B14R1.9532 CC1=C(C(=O)CO1)OC/C=C/C(C)C 258684002729512a7ddad9bc71dcd827 [0,2,0,0,0,0|1,0,0]=3 236 B14R1.9532 CC1=C(C(=O)OC1)OC/C=C/C(C)C ae6414003e2a6c10843d09d14e2d0698 [0,2,0,0,0,0|1,0,0]=3 237 B14R1.10327 CCCCC(C)OC1=C(CCC1=O)C 8099c82d7aa920e53bb34118b61cf95d [0,2,0,0,0,0|0,0,2]=4 238 B14R1.13103 CC/C=C/COC1=C(C(CC1=O)C)C a457ed8605d2cf0d220845aef31d61ed [0,2,0,0,0,0|0,0,0]=2 239 B14R1.13103 CC/C=C/COC1=C(C(OC1=O)C)C 928988d470c99387e1524a6950758f30 [0,2,0,0,0,0|1,0,0]=3 240 B14R1.13103 CC/C=C/COC1=C(OC(C1=O)C)C bb599945507279a3950144eb96a9b25c [0,2,0,0,0,0|1,0,0]=3 241 B14R1.13103 CC1=C(C(=O)CC1C)OCC=CC#N 066488691f7522992668f15fbf93c2b1 [0,2,0,0,0,0|1,0,1]=4 242 B14R1.13103 CCCCCOC1=C(C(CC1=O)C)C f95a4d354dc4fa4a0dcb68b11212533b [0,2,0,0,0,0|0,0,2]=4 243 B14R1.13103 CCOCCOC1=C(C(CC1=O)C)C fa384553c2ee106535246ed6ad587971 [0,2,0,0,0,0|1,0,1]=4 244 B14R1.13103 CCSCCOC1=C(C(CC1=O)C)C b81ae940142ddb933f62426b0bb3560c [0,2,0,0,0,0|1,0,1]=4 245 B14R1.18023 CCCC(=O)COC1=C(CCC1=O)C 51ccdfad7e91e791291190d8759db9cf [0,2,0,0,0,0|0,0,1]=3 246 B14R1.18023 CCCC(=O)COC1=C(COC1=O)C 0e1dc0f2d593828f2520440b9471e9ec [0,2,0,0,0,0|1,0,1]=4 247 B14R1.18023 CCCC(=O)COC1=C(OCC1=O)C 69484463030be53f86b2fc695b6eae27 [0,2,0,0,0,0|1,0,1]=4 248 B14R1.18023 CCCC(C)COC1=C(CCC1=O)C d6c5faacfaa3241163a0f8067faf9df5 [0,2,0,0,0,0|0,0,2]=4 249 B14R1.18023 CCNC(=O)COC1=C(CCC1=O)C 4eda4fcfa251328d04970f25e986d59b [0,2,0,0,0,0|1,0,0]=3 250 B14R1.18023 CCNC(=O)COC1=C(COC1=O)C 738c9720e066b803528f90f7293f2817 [0,2,0,0,0,0|2,0,0]=4 251 B14R1.18023 CCNC(=O)COC1=C(OCC1=O)C 054cbce794dcec4939a675063f36691f [0,2,0,0,0,0|2,0,0]=4 252 B14R1.18023 CCOC(=O)COC1=C(CCC1=O)C 5d07f850d5ed2b2a7778966b00287173 [0,2,0,0,0,0|1,0,0]=3 253 B14R1.18023 CCOC(=O)COC1=C(COC1=O)C de3da8fc8037674b6b1b0c2c84700039 [0,2,0,0,0,0|2,0,0]=4 254 B14R1.18023 CCOC(=O)COC1=C(OCC1=O)C b0564f5559b7d45b48ffa6de124c7b78 [0,2,0,0,0,0|2,0,0]=4 255 B14R1.18023 COCC(=O)COC1=C(CCC1=O)C d87b86aa9b505b25d23a5813fac3c340 [0,2,0,0,0,0|1,0,1]=4 256 B14R1.3666 C=C(CC)COC1=C(CCC1=O)CC ee0e134d3c1618b969d9ce01c6065bb6 [0,2,0,0,0,0|1,0,1]=4 257 B14R1.3666 CCC(=O)COC1=C(CCC1=O)CC 70508c444e79aaf734c58145ef978737 [0,2,0,0,0,0|1,0,1]=4 258 B14R1.4443 CC1=C(C(=O)CC1)OCC(=O)C(C)C b4e9293b7b1ed535213279fa43c37ab3 [0,2,0,0,0,0|1,0,1]=4 259 B14R1.13089 CCC(=O)C(C)OC1=C(CCC1=O)C 0f2972dfe2c6380ae92b7de4a452a14a [0,2,0,0,0,0|1,0,1]=4 260 B14R1.19600 C=C(CC)COC1=C(C(CC1=O)C)C 52f29a4cd973008ee055b212187f7a40 [0,2,0,0,0,0|1,0,1]=4 261 B14R1.19600 CCC(=O)COC1=C(C(CC1=O)C)C 44b1ecf30d1a957f967008c29bf56c73 [0,2,0,0,0,0|1,0,1]=4 262 B12R1.267 CCCOCC1=CCCCC1=O 013e4c3a1c1f85272d4cf98d7a8f0a87 [0,0,1,1,0,0|1,0,1]=4 263 B12R1.7 CC/C=C/COC1=CC(=O)CC1 477f74077becfe3160a2dae43cbf8aa8 [0,0,1,1,0,0|1,0,1]=4 264 B12R1.7 CC/C=C/COC1CCC(=O)C1 f2e0cee8f13787c9c5781abee031807a [0,0,1,1,0,0|1,0,1]=4 265 B12R1.30 C/C=C/CC(=O)N1CC=CCC1 a976af0c271329894e5103d4a6bd820c [0,0,1,1,0,0|1,0,1]=4 266 B12R1.30 C=CCCC(=O)N1CC=CCC1 475ed9b14f7f2128a8dfa942f3e88cc6 [0,0,1,1,0,0|1,0,1]=4 267 B12R1.30 CCCCC(=O)N1CC=CCC1 0661eeb363c70199bf33ad14fdd97871 [0,0,1,1,0,0|1,0,1]=4 268 B12R1.30 COCCC(=O)N1CC=CCC1 87e9d4df0de067b12273119d9adc1c44 [0,0,1,1,0,0|2,0,0]=4 269 B12R1.30 CSCCC(=O)N1CC=CCC1 f874b80f6c76e3c5927452b78d77dd36 [0,0,1,1,0,0|2,0,0]=4 270 B12R1.30 O=CCCC(=O)N1CC=CCC1 7547d21aeb5941c2c7db2148ec2fd70d [0,0,1,1,0,0|2,0,0]=4 271 B12R2.466 O=C1CCC=C1COC2CC2 9dbdb26d3459249bdf94069902d476c4 [1,0,0,1,0,0|1,0,1]=4 272 B12R2.2033 CC1=C(C(=O)CC1)OC2CC2 ce60f1d969c7f98abc105bc2bf1c7055 [1,0,0,1,0,0|1,0,1]=4 273 B14R2.277 O=C1CCC(=O)C1N2CC=CCC2 be0f670996f151027bd6a1e41dc30efc [0,1,0,1,0,0|1,0,1]=4 274 B14R2.4517 CC1=C(C(=O)CC1)OCCC2CC2 0d5dc28535da87f58b47547e06c9e5b3 [0,1,0,1,0,0|0,0,2]=4 275 B14R2.4568 CC1=C(C(=O)CC1)OCC2CCC2 16d7271f2be85f471259beed8781e0e7 [0,1,0,1,0,0|0,0,2]=4 276 B14R2.4568 CC1=C(C(=O)CC1)OCC2CCO2 ffad50f705398c46bb8e32cf14a3a6b8 [0,1,0,1,0,0|1,0,1]=4 277 B14R2.4568 CC1=C(C(=O)CC1)OC[C@@H]2CCO2 0118ac7bcfb627bb20574b194343cdcb [0,1,0,1,0,0|1,0,1]=4 278 B14R2.4568 CC1=C(C(=O)CC1)OC[C@H]2CCO2 b7119541801b54e7d387b9527c66d17b [0,1,0,1,0,0|1,0,1]=4 279 B14R2.4572 CC1=C(C(=O)CC1)OC2CCCC2 33b7c933cae21add479c7de56131ddd7 [0,1,0,1,0,0|0,0,2]=4 280 B14R2.4572 CC1=C(C(=O)CC1)OC2CCOC2 90e8dfa46088cf9ecf31bf4ec30f1f01 [0,1,0,1,0,0|1,0,1]=4 281 B14R2.4572 CC1=C(C(=O)CC1)O[C@@H]2CCOC2 32e359eb5c7c1e9388b0a3c6afcd0e6c [0,1,0,1,0,0|1,0,1]=4 282 B14R2.4572 CC1=C(C(=O)CC1)O[C@H]2CCOC2 3a432eab88858c8ce002103d4c5868e3 [0,1,0,1,0,0|1,0,1]=4 283 B14R2.6412 CCNc1ccc2c(c1)CCC2=O cd76387b2798cdfc3e1f3c6794aa804a [0,1,0,1,0,0|0,0,2]=4 284 B14R2.6412 CCOc1ccc2c(c1)CCC2=O 9be78a70e0a7fb0129eee528ca12948a [0,1,0,1,0,0|0,0,2]=4 285 B14R2.6412 CCOc1ccc2c(n1)CCC2=O 68c288cbb472bc7a9acad03708d15968 [0,1,0,1,0,0|1,0,1]=4 286 B14R2.8135 CC1=C(C(=O)CC1)OC2CCC2=O 2c41e8d2193ab20712c1da63764b3bce [0,1,0,1,0,0|1,0,1]=4 287 B12R1.28 CC/C=C/CN1CCCC(=O)C1 ab6ba7f27b9c1721bb8000d415d741bf [1,0,0,0,0,1|1,0,1]=4