0 B11R0.148 C#CCCCCCCNC(=O)C 2f413787882fc0e2408467e3c319c32a [0,0,0,0,0,0|2,0,2]=4 1 B11R0.148 C#CCCCCCNCC(=O)C 50c933acc541586c072dba14dc5d40a1 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.148 C#CCCCCCNCC(=O)N 322df0ff71cf59e53df921f7ce604a2f [0,0,0,0,0,0|2,0,2]=4 3 B11R0.148 C#CCCCCCNCC(=O)O b8d00f5834615ef2b8fe58bee713c10a [0,0,0,0,0,0|1,0,2]=3 4 B11R0.148 C#CCCCCCOCC(=O)C 2d0da561f5d880cce13aa50e01ba3ca6 [0,0,0,0,0,0|2,0,2]=4 5 B11R0.148 C#CCCCCCOCC(=O)N 37602eb2c9b5f905c84d932a28c16c6d [0,0,0,0,0,0|2,0,2]=4 6 B11R0.148 C#CCCCCCOCC(=O)O f8df082162972f68c515249933b0b517 [0,0,0,0,0,0|1,0,2]=3 7 B11R0.148 C#CCCCCCOCS(=O)O 3ec7af7bc01b9c96cfbb3c3476dacd9d [0,0,0,0,0,0|2,0,2]=4 8 B11R0.148 C#CCCCCNCCC(=O)C af251db10531ad6ec8318c0db73cb5d3 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.148 C#CCCCCNCCC(=O)N c3b04fedc3fa86c04b1ae0f306d0141e [0,0,0,0,0,0|2,0,2]=4 10 B11R0.148 C#CCCCCNCCC(=O)O f5c4aa9a1203cd75c987abbc1a7daa61 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.148 C#CCCCCNCCS(=O)O 1d4e62f97cfa157716dd113fdc9ceac8 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.148 C#CCCCCOCCC(=O)C 7087135c2f0d3f448e3b8c7de7b3d9d6 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.148 C#CCCCCOCCC(=O)N a87966ed9508df3b65ab9745530db605 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.148 C#CCCCCOCCC(=O)O b299e70f8266d037207fed13a9828f50 [0,0,0,0,0,0|1,0,2]=3 15 B11R0.148 C#CCCCNCCCC(=O)C 241668bdc3f266db30dffdad318670a3 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.148 C#CCCCNCCCC(=O)N 7e8787f92219f0bb690f3e588ee68c94 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.148 C#CCCCNCCCC(=O)O cddbbfa1803d94d92ed7c34310a91edf [0,0,0,0,0,0|1,0,2]=3 18 B11R0.148 C#CCCCOCCCC(=O)C ca7578f8e1b8ac604c52aafd76ae9120 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.148 C#CCCCOCCCC(=O)N fc4427d2d1c9fb3c827de50ad38f1582 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.148 C#CCCNCCCCC(=O)C a7a50ff02fbdcf22b0a45093c0853261 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.148 C#CCCNCCCCC(=O)N 994db737366dfe875d701d1b55a0f739 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.148 C#CCCNCCCCC(=O)O 415cdd648357f73e51e2be89ff687f62 [0,0,0,0,0,0|1,0,2]=3 23 B11R0.148 C#CCCNCCOCC(=O)O fed089f463b89cfb4bace74732a09a64 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.148 C#CCCNCCSCC(=O)O abfbc1158a2cae0bd68fadd33eb0bc62 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.148 C#CCCOCCCCC(=O)C bbf7a254b5b28a9abe7734544f357e87 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.148 C#CCCOCCCCC(=O)N 49d55fa8f1767e115c7ebac338786415 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.148 C#CCCOCCCCC(=O)O 2f31cbf3e0a1651cf68befbe5d3cace0 [0,0,0,0,0,0|1,0,2]=3 28 B11R0.148 C#CCCOCCOCC(=O)O 6f626fc5c4200557ad82f5f886822f86 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.148 C#CCNCCCCCC(=O)C 346209ef68873c7b2a240407ba37f9ae [0,0,0,0,0,0|2,0,2]=4 30 B11R0.148 C#CCNCCCCCC(=O)N 17cb4de4a27f2fd016f47df9c2a3dc71 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.148 C#CCNCCCCCC(=O)O b6a77b72fdb4a98c953db9f96913b003 [0,0,0,0,0,0|1,0,2]=3 32 B11R0.148 C#CCNCCCOCC(=O)O 9a4906a4749d191c2a59f4ba1b121086 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.148 C#CCNCCOCCC(=O)O cd228cd151977c041c034553e683a81d [0,0,0,0,0,0|2,0,2]=4 34 B11R0.148 C#CCOCCCCCC(=O)C e31fef1b8497c6cd91cc2fb3c177a28d [0,0,0,0,0,0|2,0,2]=4 35 B11R0.148 C#CCOCCCCCC(=O)N db4ec896036570bde1080d51309244f9 [0,0,0,0,0,0|2,0,2]=4 36 B11R0.148 C#CCOCCCCCC(=O)O 4c941961acf7cc7fa204034d7821c8e9 [0,0,0,0,0,0|1,0,2]=3 37 B11R0.148 C#CCOCCCOCC(=O)O 081037bd4e99106fb886a77f4805eea6 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.148 C#CCOCCNCCC(=O)O 8a53b6d141ab543648f70daf113d22df [0,0,0,0,0,0|2,0,2]=4 39 B11R0.148 C#CCOCCOCCC(=O)O 4566f0a5a3284180e40935352718bb6f [0,0,0,0,0,0|2,0,2]=4 40 B11R0.148 C/C=C/CCCOCCC(=O)C 6af31ccb6c5cfbdc31a7ba1d70c26273 [0,0,0,0,0,0|2,0,2]=4 41 B11R0.148 C/C=C/CCCOCCC(=O)N 7c374036b9aebd774b670515a17c1fea [0,0,0,0,0,0|2,0,2]=4 42 B11R0.148 C/C=C/CCCOCCC(=O)O 8e44447083573a7f76d126de4f324bf8 [0,0,0,0,0,0|1,0,2]=3 43 B11R0.148 C/C=C/CCOCCCC(=O)C 0bfc1e16cd242a6ffba7baaeed75a478 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.148 C/C=C/CCOCCCC(=O)N a69b23d05c409186005f3a6206b5f735 [0,0,0,0,0,0|2,0,2]=4 45 B11R0.148 C/C=C/CCOCCCC(=O)O 0fe3e2c1f4df0d89a2f94cf732ae3a08 [0,0,0,0,0,0|1,0,2]=3 46 B11R0.148 C/C=C/CNCCCCC(=O)N 7f308cdd44f31e4b8a86c42660a5bddb [0,0,0,0,0,0|2,0,2]=4 47 B11R0.148 C/C=C/CNCCCCC(=O)O d1035fd2e4f6859c679e5a8dde788805 [0,0,0,0,0,0|1,0,2]=3 48 B11R0.148 C/C=C/CNCCOCC(=O)O 2709c3cbebbbb95d5b464c5379763a40 [0,0,0,0,0,0|2,0,2]=4 49 B11R0.148 C/C=C/CNCCSCC(=O)O 2540268ddbf8c5ebcb5b7e0327e6c447 [0,0,0,0,0,0|2,0,2]=4 50 B11R0.148 C/C=C/COCCCCC(=O)C bc4770b7051a58da4eb45c98e2b78f18 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.148 C/C=C/COCCCCC(=O)N 867b5bd722b4a0d1b86b52aeef372da4 [0,0,0,0,0,0|2,0,2]=4 52 B11R0.148 C/C=C/COCCCCC(=O)O 8ba58a0d822f5cd347860b1afb57ad5d [0,0,0,0,0,0|1,0,2]=3 53 B11R0.148 C/C=C/COCCOCC(=O)O ea0d2f51923eb64b63b474be64846701 [0,0,0,0,0,0|2,0,2]=4 54 B11R0.148 C/C=C\CCCNCCC(=O)N 6daf8d163285381ef97e307f41d8f5e2 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.148 C/C=C\CCCNCCC(=O)O ff8ef7eaad585bf309257812ded95ffa [0,0,0,0,0,0|1,0,2]=3 56 B11R0.148 C/C=C\CCCNCCS(=O)O 4104229448ff90e809872cf3c6c636c9 [0,0,0,0,0,0|2,0,2]=4 57 B11R0.148 C/C=C\CCCOCCC(=O)C b4e669a2e0688ef6b804e802906b565b [0,0,0,0,0,0|2,0,2]=4 58 B11R0.148 C/C=C\CCCOCCC(=O)N ba118ddda27cce7117e5163dbfab9233 [0,0,0,0,0,0|2,0,2]=4 59 B11R0.148 C/C=C\CCCOCCC(=O)O bf016d443d4be01abd3a3ff616722e9a [0,0,0,0,0,0|1,0,2]=3 60 B11R0.148 C/C=C\CNCCCCC(=O)N c55cf5e28aef3181a5b0ccec86647829 [0,0,0,0,0,0|2,0,2]=4 61 B11R0.148 C/C=C\CNCCCCC(=O)O 71a3ba63862a0761a27f94a6a1fc16c6 [0,0,0,0,0,0|1,0,2]=3 62 B11R0.148 C/C=C\CNCCOCC(=O)O 81d5b6aad6c45f58d73b7ae448203479 [0,0,0,0,0,0|2,0,2]=4 63 B11R0.148 C/C=C\CNCCSCC(=O)O 771f1481e127c7f5c444bba6222f215a [0,0,0,0,0,0|2,0,2]=4 64 B11R0.148 C/C=C\COCCCCC(=O)C a0730490237f018f540fe7a7151b7b1f [0,0,0,0,0,0|2,0,2]=4 65 B11R0.148 C/C=C\COCCCCC(=O)N fff42c66889522a948a1960c8a402a1f [0,0,0,0,0,0|2,0,2]=4 66 B11R0.148 C/C=C\COCCCCC(=O)O 50f111228924402c0cd8a52b811919f0 [0,0,0,0,0,0|1,0,2]=3 67 B11R0.148 C/C=C\COCCOCC(=O)O 5b11515edb67ac311f12bac5f945af07 [0,0,0,0,0,0|2,0,2]=4 68 B11R0.148 C=C(Br)CCOCCCCC=O 0e8e3c38618112c767f27902ea8110b4 [0,0,0,0,0,0|4,0,0]=4 69 B11R0.148 C=C(Br)CNCCCCCC=O 0d4a6ee657844e0943c27c54d8de9aea [0,0,0,0,0,0|4,0,0]=4 70 B11R0.148 C=C(Br)COCCCCCC=O 7f8eb6fa89223a5796b8faadd2688592 [0,0,0,0,0,0|4,0,0]=4 71 B11R0.148 C=C(C)CCCOCCCC=O 141101ee11a047bdb6ac972f4b15d526 [0,0,0,0,0,0|4,0,0]=4 72 B11R0.148 C=C(C)CCNCCCCC=O 4974b9477a838b007342d9a960c75660 [0,0,0,0,0,0|4,0,0]=4 73 B11R0.148 C=C(C)CCOCCCCC=O e5127e06ac5f9fcc6d9f286c61a485e7 [0,0,0,0,0,0|4,0,0]=4 74 B11R0.148 C=C(C)CNCCCCCC=O 216d4c90285c01c5964a4c5a663396bf [0,0,0,0,0,0|4,0,0]=4 75 B11R0.148 C=C(C)COCCCCCC=O b57840de55d8a45d83769baa76799255 [0,0,0,0,0,0|4,0,0]=4 76 B11R0.148 C=C(Cl)COCCCCCC=O 9b930ceef8e668dc4b8b6fc419fb9f9b [0,0,0,0,0,0|4,0,0]=4 77 B11R0.148 C=C(F)COCCCCCC=O 196a5f9612a61c84ad50d21b37f0fef1 [0,0,0,0,0,0|4,0,0]=4 78 B11R0.148 C=C(I)COCCCCCC=O 7a73dc97de00b1d393572e238cfe6732 [0,0,0,0,0,0|4,0,0]=4 79 B11R0.148 C=C/C=C/CCNCCC(=O)C 38656d66411a2ff7af279099adfe1998 [0,0,0,0,0,0|2,0,2]=4 80 B11R0.148 C=C/C=C/CCNCCC(=O)N 486a1274778cc21dfa9e5724c7c083e5 [0,0,0,0,0,0|2,0,2]=4 81 B11R0.148 C=C/C=C/CCNCCC(=O)O fabfa4414a980149c1f9d2eba1b9209b [0,0,0,0,0,0|1,0,2]=3 82 B11R0.148 C=C=CCCOCCCC(=O)C cc3ed9521b134bb9728d5411cec952cc [0,0,0,0,0,0|2,0,2]=4 83 B11R0.148 C=C=CCCOCCCC(=O)N 8a0ba724e85fa53709aeaae267ff31a4 [0,0,0,0,0,0|2,0,2]=4 84 B11R0.148 C=C=CCCOCCCC(=O)O 5055d94570a6ab55c00286d941bfc0df [0,0,0,0,0,0|1,0,2]=3 85 B11R0.148 C=CCC#CCCOCC(=O)N 7ec97d2bfbef94c062bcc3119b431296 [0,0,0,0,0,0|2,0,2]=4 86 B11R0.148 C=CCC#CCCOCC(=O)O 46b9aee057097ad55050191a4dce820f [0,0,0,0,0,0|1,0,2]=3 87 B11R0.148 C=CCCCCCCOC(C)C 57a172052ef6843f2f72eb1a00ce441e [0,0,0,0,0,0|3,0,1]=4 88 B11R0.148 C=CCCCCCNCC(=C)Br 11cc269499c36e8b822ec7662ea7fd95 [0,0,0,0,0,0|3,0,0]=3 89 B11R0.148 C=CCCCCCNCC(=C)C 44c33f40bb51866fb7d57d1e7d1cadda [0,0,0,0,0,0|3,0,0]=3 90 B11R0.148 C=CCCCCCNCC(=C)Cl 972d2373749df76363d9e7d4383aba7c [0,0,0,0,0,0|3,0,0]=3 91 B11R0.148 C=CCCCCCNCC(=C)F c6f5a605848b28882ad114ec3573855c [0,0,0,0,0,0|3,0,0]=3 92 B11R0.148 C=CCCCCCNCC(=O)C 9eebcfb67903aeb41ddbb31526bfb0e6 [0,0,0,0,0,0|2,0,0]=2 93 B11R0.148 C=CCCCCCNCC(=O)N 81686fb645172cfec5b92cfe07daecef [0,0,0,0,0,0|2,0,0]=2 94 B11R0.148 C=CCCCCCNCC(=O)O 7aa5ba1994425bccb2af733c34b3554f [0,0,0,0,0,0|1,0,0]=1 95 B11R0.148 C=CCCCCCNCC(C)C e3ee762c60b2434a8103b160f55d4463 [0,0,0,0,0,0|3,0,1]=4 96 B11R0.148 C=CCCCCCNCC(C)O 5783f9ad3af4ab634089fb320b9348d8 [0,0,0,0,0,0|2,0,1]=3 97 B11R0.148 C=CCCCCCNCC(F)F bad52874e4bda0cf3ce6679178a8a441 [0,0,0,0,0,0|3,0,1]=4 98 B11R0.148 C=CCCCCCNCN(C)C 329c9d62fb2d0f8ed757b42ec0789c72 [0,0,0,0,0,0|4,0,0]=4 99 B11R0.148 C=CCCCCCNC[C@@H](C)O fb984aba24381375c3f25338bfe312ce [0,0,0,0,0,0|2,0,1]=3 100 B11R0.148 C=CCCCCCNC[C@H](C)O b8102f1688f28097ef389368006145a2 [0,0,0,0,0,0|2,0,1]=3 101 B11R0.148 C=CCCCCCNC[N+](=O)[O-] c64281570447100b6c0ffee014e9fe89 [0,0,0,0,0,0|2,0,1]=3 102 B11R0.148 C=CCCCCCOCC(=C)Br c5d1d3a8f80c2b72b2cbad13dd670108 [0,0,0,0,0,0|3,0,0]=3 103 B11R0.148 C=CCCCCCOCC(=C)C 99c8156353f86f073b698feadece7ade [0,0,0,0,0,0|3,0,0]=3 104 B11R0.148 C=CCCCCCOCC(=C)Cl 58d72a99eafe8ce6baec4195b49a3359 [0,0,0,0,0,0|3,0,0]=3 105 B11R0.148 C=CCCCCCOCC(=C)F 44c4abb5c0853167daa27705c3533c58 [0,0,0,0,0,0|3,0,0]=3 106 B11R0.148 C=CCCCCCOCC(=C)I 5d454c5af0a35f24b82a78895d761e64 [0,0,0,0,0,0|3,0,0]=3 107 B11R0.148 C=CCCCCCOCC(=O)C 8b2e388462f74bcd1ee69d7c98e6ef2e [0,0,0,0,0,0|2,0,0]=2 108 B11R0.148 C=CCCCCCOCC(=O)N e1cbf2bf94edbcb2cf7e31a1e2b1e39b [0,0,0,0,0,0|2,0,0]=2 109 B11R0.148 C=CCCCCCOCC(=O)O aa84ff8d74f73c4fd8ca277dacee1a87 [0,0,0,0,0,0|1,0,0]=1 110 B11R0.148 C=CCCCCCOCC(=S)N c5479a0ce8d22030734187f09a204779 [0,0,0,0,0,0|2,1,0]=3 111 B11R0.148 C=CCCCCCOCC(C)C 4e55d40511b56eb7d22206e4904a105f [0,0,0,0,0,0|3,0,1]=4 112 B11R0.148 C=CCCCCCOCC(C)F 813b1d001b1d2d035252b3bfaa2100cd [0,0,0,0,0,0|3,0,1]=4 113 B11R0.148 C=CCCCCCOCC(C)S c3e2fd41b5006864a7d43750ed69295b [0,0,0,0,0,0|2,1,1]=4 114 B11R0.148 C=CCCCCCOCC(F)F 2c322203e8f6e673066e9d5521aeef9e [0,0,0,0,0,0|3,0,1]=4 115 B11R0.148 C=CCCCCCOCN(C)C 419dc22bfa55b360b9e250263571d0d5 [0,0,0,0,0,0|4,0,0]=4 116 B11R0.148 C=CCCCCCOCS(=O)O 93fef0e11c468ebd19f4c3835c139246 [0,0,0,0,0,0|2,0,0]=2 117 B11R0.148 C=CCCCCCOC[C@@H](C)F 825a4fbded6e1762764591dcef1ac2c9 [0,0,0,0,0,0|3,0,1]=4 118 B11R0.148 C=CCCCCCOC[C@H](C)F 81862bbd0cd44e82acd28beb6ee36ee9 [0,0,0,0,0,0|3,0,1]=4 119 B11R0.148 C=CCCCCCOC[N+](=O)[O-] f449ba3a13a36280d6b4d3e83601d02e [0,0,0,0,0,0|2,0,1]=3 120 B11R0.148 C=CCCCCNC/C=C(/C)\I 8a41552d5037591e4ce77862193df27b [0,0,0,0,0,0|3,0,1]=4 121 B11R0.148 C=CCCCCNC/C=C(\C)/Cl 003c3b381c2ec3e84a1fa48bbdf054ee [0,0,0,0,0,0|3,0,1]=4 122 B11R0.148 C=CCCCCNCC=C(C)C a258ad4c2c521b3310138427476d2663 [0,0,0,0,0,0|3,0,1]=4 123 B11R0.148 C=CCCCCNCC=C(C)Cl d935b9cad9ccb6f44bf9293a13143e7b [0,0,0,0,0,0|3,0,1]=4 124 B11R0.148 C=CCCCCNCC=C(C)I 1fdd079e2c79c57801cbcea930dbd44f [0,0,0,0,0,0|3,0,1]=4 125 B11R0.148 C=CCCCCNCC=C(Cl)Cl 392b3a783828f1a161a1f986cff0af10 [0,0,0,0,0,0|3,0,1]=4 126 B11R0.148 C=CCCCCNCCC(=C)C 1f294fd6e47784bff06fb6746e7ca02a [0,0,0,0,0,0|3,0,0]=3 127 B11R0.148 C=CCCCCNCCC(=O)C 41e3352f4bc375aa540b33871bc5c394 [0,0,0,0,0,0|2,0,0]=2 128 B11R0.148 C=CCCCCNCCC(=O)N c0fc4fd7e92a5e2788d70098b29063a9 [0,0,0,0,0,0|2,0,0]=2 129 B11R0.148 C=CCCCCNCCC(=O)O 5a2f9cbe75c0747b5a1ea894792d2069 [0,0,0,0,0,0|1,0,0]=1 130 B11R0.148 C=CCCCCNCCC(=S)N 4835af0c395924fc0b0c500b49fa3cd3 [0,0,0,0,0,0|2,1,0]=3 131 B11R0.148 C=CCCCCNCCC(C)C 158375db785f61c3339d93e89a88e56d [0,0,0,0,0,0|3,0,1]=4 132 B11R0.148 C=CCCCCNCCC(C)O 9775f9f85f7ad6616600bc9d903aa57a [0,0,0,0,0,0|2,0,1]=3 133 B11R0.148 C=CCCCCNCCC(F)F a8b105639bb1b7b34b44cae9145cb44b [0,0,0,0,0,0|3,0,1]=4 134 B11R0.148 C=CCCCCNCCN(C)C b50b1c040f27795c65825a760cd5a5ee [0,0,0,0,0,0|4,0,0]=4 135 B11R0.148 C=CCCCCNCCS(=O)C 457a2ff5c98450cd2ce02e42c20e036d [0,0,0,0,0,0|3,0,0]=3 136 B11R0.148 C=CCCCCNCCS(=O)O 28a2d192c2eb322804b26ac7cb5948ed [0,0,0,0,0,0|2,0,0]=2 137 B11R0.148 C=CCCCCNCC[C@@H](C)O 281ed651455aa4299ec6f6a5b9dbbc02 [0,0,0,0,0,0|2,0,1]=3 138 B11R0.148 C=CCCCCNCC[C@H](C)O 0353515686f8b47cfa1725a469a840df [0,0,0,0,0,0|2,0,1]=3 139 B11R0.148 C=CCCCCNCOC(=O)C 6eca29b72b3967a7ba4d057a953da5e0 [0,0,0,0,0,0|3,0,0]=3 140 B11R0.148 C=CCCCCNCSC(=O)N 9c83bdddf5b8e5df59ca2126634bc911 [0,0,0,0,0,0|3,0,0]=3 141 B11R0.148 C=CCCCCOC/C=C(/C)\Cl 29234c6cd04caef7713f5ac8ed4b738d [0,0,0,0,0,0|3,0,1]=4 142 B11R0.148 C=CCCCCOC/C=C(/C)\I 96deac334b6346d8fe588c4b45256afb [0,0,0,0,0,0|3,0,1]=4 143 B11R0.148 C=CCCCCOC/C=C(\C)/Cl 6ec2263d1bdbfabd799b3fbfff098b4a [0,0,0,0,0,0|3,0,1]=4 144 B11R0.148 C=CCCCCOCC=C(C)C ccea28c4e9fe32c968bb5ab754f00792 [0,0,0,0,0,0|3,0,1]=4 145 B11R0.148 C=CCCCCOCC=C(C)Cl 43d2b5b7a583d54a636c448dca6b3ea9 [0,0,0,0,0,0|3,0,1]=4 146 B11R0.148 C=CCCCCOCC=C(C)I 96eeafb6f011d1c822dd136fad0d03bd [0,0,0,0,0,0|3,0,1]=4 147 B11R0.148 C=CCCCCOCC=C(Cl)Cl 27c66ea76de66c32e4fad4a014abd572 [0,0,0,0,0,0|3,0,1]=4 148 B11R0.148 C=CCCCCOCCC(=C)Br 5b35662a808022b3ca411a1df6ae2396 [0,0,0,0,0,0|3,0,0]=3 149 B11R0.148 C=CCCCCOCCC(=C)C 58526b824d834b930cfb01f560f8540b [0,0,0,0,0,0|3,0,0]=3 150 B11R0.148 C=CCCCCOCCC(=O)C bcdd79d6b67b4a4decd3603bdc2453a0 [0,0,0,0,0,0|2,0,0]=2 151 B11R0.148 C=CCCCCOCCC(=O)N 63d391a6713496aad5a05f5ec55a3463 [0,0,0,0,0,0|2,0,0]=2 152 B11R0.148 C=CCCCCOCCC(=O)O a7a5b01680c43cf5e6bb94adfc9266aa [0,0,0,0,0,0|1,0,0]=1 153 B11R0.148 C=CCCCCOCCC(C)C 751752d7fe51d912648ef9a09238bba9 [0,0,0,0,0,0|3,0,1]=4 154 B11R0.148 C=CCCCCOCCC(F)F 1c8ad3e3ca7ff3f251d82214305180a2 [0,0,0,0,0,0|3,0,1]=4 155 B11R0.148 C=CCCCCOCCN(C)C d523937b95ff6fa9e6cec152efab30c6 [0,0,0,0,0,0|4,0,0]=4 156 B11R0.148 C=CCCCCOCCS(=O)C 083469c77398ba1c3cccd7e2500ef807 [0,0,0,0,0,0|3,0,0]=3 157 B11R0.148 C=CCCCCOCC[N+](=O)[O-] cefc9374cfd71b517623e2db2cff2556 [0,0,0,0,0,0|2,0,1]=3 158 B11R0.148 C=CCCCCOCNC(=O)C 51854f1a566e3de7d75a8d049c19929a [0,0,0,0,0,0|3,0,0]=3 159 B11R0.148 C=CCCCCOCNC(=O)N 9faeb6fccc2ab5b17d9ff597635a977b [0,0,0,0,0,0|3,0,0]=3 160 B11R0.148 C=CCCCCOCOC(=O)C bddaf0da8f94c441d38768a2f2270fb6 [0,0,0,0,0,0|3,0,0]=3 161 B11R0.148 C=CCCCCOCSC(=O)N 04378202c6542002818d855d63bcfc45 [0,0,0,0,0,0|3,0,0]=3 162 B11R0.148 C=CCCCNC/C=C/C(=O)O 695eb5b879ef112254d8472c5c81590f [0,0,0,0,0,0|1,0,2]=3 163 B11R0.148 C=CCCCNCC#CC(=O)N 10bc11d6d05af2f0a473c0ea30988b2f [0,0,0,0,0,0|2,0,2]=4 164 B11R0.148 C=CCCCNCC#CC(=O)O 85155c6b209886ac0090f9d6d317fb46 [0,0,0,0,0,0|1,0,2]=3 165 B11R0.148 C=CCCCNCC=CC(=O)O 33c547c9b97867554b825bd3a114e821 [0,0,0,0,0,0|1,0,2]=3 166 B11R0.148 C=CCCCNCCC=C(C)C de9c2422b9773f16e672feb9eb2bfb28 [0,0,0,0,0,0|3,0,1]=4 167 B11R0.148 C=CCCCNCCC=C(F)F cb2c3c488b161f09ae40aa963cf7eea5 [0,0,0,0,0,0|3,0,1]=4 168 B11R0.148 C=CCCCNCCCC(=C)C bbff8957ae0334512ae714d2bc01ff98 [0,0,0,0,0,0|3,0,0]=3 169 B11R0.148 C=CCCCNCCCC(=O)C f525d35ea9dd7096b9ac5f984e254df9 [0,0,0,0,0,0|2,0,0]=2 170 B11R0.148 C=CCCCNCCCC(=O)N a85f7ee11f4c1ed21b336ff831637f12 [0,0,0,0,0,0|2,0,0]=2 171 B11R0.148 C=CCCCNCCCC(=O)O c8121f9b969a048cf549e296df1a24b9 [0,0,0,0,0,0|1,0,0]=1 172 B11R0.148 C=CCCCNCCCC(C)C d5d358ecf426909222848658b6290a9d [0,0,0,0,0,0|3,0,1]=4 173 B11R0.148 C=CCCCNCCCC(C)O 37c09fdce0f2a1ff492d03bb75ea7ce3 [0,0,0,0,0,0|2,0,1]=3 174 B11R0.148 C=CCCCNCCCN(C)C dfc9d7d3b597fdfedaaff6dbf7b0a968 [0,0,0,0,0,0|4,0,0]=4 175 B11R0.148 C=CCCCNCCCS(=O)C 5f116a9331b30505e52ba077d62a9043 [0,0,0,0,0,0|3,0,0]=3 176 B11R0.148 C=CCCCNCCC[N+](=O)[O-] 819d94926ccda973066bb138e8ee01ef [0,0,0,0,0,0|2,0,1]=3 177 B11R0.148 C=CCCCNCCNC(=O)C 25e012cc10575703f191b1c8b6b0089b [0,0,0,0,0,0|3,0,0]=3 178 B11R0.148 C=CCCCNCCNC(=O)N ae5aed5ea3c1051c3cec0f8960db7c09 [0,0,0,0,0,0|3,0,0]=3 179 B11R0.148 C=CCCCNCCNC(=S)N c4a4ee599ce5d914c387781b18804b4d [0,0,0,0,0,0|3,1,0]=4 180 B11R0.148 C=CCCCNCCOC(=O)C 06a33199f6ee358b946bd4c5bfbebb92 [0,0,0,0,0,0|3,0,0]=3 181 B11R0.148 C=CCCCNCCSC(=O)C df082a0693407513b470166e9e41a32f [0,0,0,0,0,0|3,0,0]=3 182 B11R0.148 C=CCCCOC/C=C/C(=O)O 7f5651032be352ae0f248e7ad12aeced [0,0,0,0,0,0|1,0,2]=3 183 B11R0.148 C=CCCCOCC#CC(=O)O 6d2b13baf3cacc144248ce24e10ed641 [0,0,0,0,0,0|1,0,2]=3 184 B11R0.148 C=CCCCOCC=CC(=O)O ad8d400e558020a645a644f4b1f1ac38 [0,0,0,0,0,0|1,0,2]=3 185 B11R0.148 C=CCCCOCCC=C(C)C f83e28b723485a5dbb595a621c983776 [0,0,0,0,0,0|3,0,1]=4 186 B11R0.148 C=CCCCOCCC=C(F)F c95d80806a3c0e996b4e98ddb8cff3f5 [0,0,0,0,0,0|3,0,1]=4 187 B11R0.148 C=CCCCOCCCC(=C)C 2b7c13c139283cbc092ddeb544552ddc [0,0,0,0,0,0|3,0,0]=3 188 B11R0.148 C=CCCCOCCCC(=O)C 9e43869cd93b5b6adbf3fc06243b8acf [0,0,0,0,0,0|2,0,0]=2 189 B11R0.148 C=CCCCOCCCC(=O)N e5ebee136a264bbdf5495128c9b11aed [0,0,0,0,0,0|2,0,0]=2 190 B11R0.148 C=CCCCOCCCC(=O)O 96ed4fd134ee6879f6f6ab0ad6db26e3 [0,0,0,0,0,0|1,0,0]=1 191 B11R0.148 C=CCCCOCCCC(C)C 75191be53cd65333ab5d49bff8ef2685 [0,0,0,0,0,0|3,0,1]=4 192 B11R0.148 C=CCCCOCCCN(C)C b31b896f58f84e6a8c88fc21f38f1e10 [0,0,0,0,0,0|4,0,0]=4 193 B11R0.148 C=CCCCOCCC[N+](=O)[O-] f73fbc3297948a573668f3959bd670f2 [0,0,0,0,0,0|2,0,1]=3 194 B11R0.148 C=CCCCOCCNC(=O)C f36e473e5734def81b445327a62a202a [0,0,0,0,0,0|3,0,0]=3 195 B11R0.148 C=CCCCOCCNC(=O)N 38e7483fe2f448670058d2302c8660fd [0,0,0,0,0,0|3,0,0]=3 196 B11R0.148 C=CCCCOCCNC(=S)N 18b0ad0f2a9e5387f20505718f0fd84b [0,0,0,0,0,0|3,1,0]=4 197 B11R0.148 C=CCCCOCCOC(=O)C 9cb87a0e2cebbdca99c22d7678c4ae63 [0,0,0,0,0,0|3,0,0]=3 198 B11R0.148 C=CCCCOCCSC(=O)C aacfe8d8bee1dee91dadaf8d9c9504f3 [0,0,0,0,0,0|3,0,0]=3 199 B11R0.148 C=CCCNCCCCC(=O)C a17ad3270d7b9b7fac3cb4f52a222c99 [0,0,0,0,0,0|2,0,0]=2 200 B11R0.148 C=CCCNCCCCC(=O)N 2eb5617bb522c8ea45651a137b8a4943 [0,0,0,0,0,0|2,0,0]=2 201 B11R0.148 C=CCCNCCCCC(=O)O 58a325a172c77f725900372e67e04633 [0,0,0,0,0,0|1,0,0]=1 202 B11R0.148 C=CCCNCCCCC(C)C c2beb7f017e80829398372b93b824468 [0,0,0,0,0,0|3,0,1]=4 203 B11R0.148 C=CCCNCCCCC(C)O d05a1b5d3e77e9adb9eff93eecec6c5e [0,0,0,0,0,0|2,0,1]=3 204 B11R0.148 C=CCCNCCCCC(F)F 6afa1f0f67ad23328f2f5bdc8ab83d2d [0,0,0,0,0,0|3,0,1]=4 205 B11R0.148 C=CCCNCCCCN(C)C f76ccb4898781f3c03145f8e6a77ff72 [0,0,0,0,0,0|4,0,0]=4 206 B11R0.148 C=CCCNCCCC[C@@H](C)O 8f328e1752482249385e822d3238144d [0,0,0,0,0,0|2,0,1]=3 207 B11R0.148 C=CCCNCCCNC(=O)C ee064c87b26e8d9b570554ca783f3c5c [0,0,0,0,0,0|3,0,0]=3 208 B11R0.148 C=CCCNCCCOC(=O)C 546e6990c8d0628b4bb2e85d9e921182 [0,0,0,0,0,0|3,0,0]=3 209 B11R0.148 C=CCCNCCCOC(=S)C 0bae0671468c2e400aa833c9cab7b7b5 [0,0,0,0,0,0|3,1,0]=4 210 B11R0.148 C=CCCNCCCSC(=O)C 41606c1e687fd467ead40ec4a7f8f0e2 [0,0,0,0,0,0|3,0,0]=3 211 B11R0.148 C=CCCNCCOCC(=O)N 73b7f6f9d8c7e637f57c2e6a16a75bdf [0,0,0,0,0,0|3,0,0]=3 212 B11R0.148 C=CCCNCCOCC(=O)O 4722d6788ad26cdf1bbc48220020bc8e [0,0,0,0,0,0|2,0,0]=2 213 B11R0.148 C=CCCNCCSCC(=O)O cd4316637d4a4b497e413e2155b4a3f6 [0,0,0,0,0,0|2,0,0]=2 214 B11R0.148 C=CCCOCCC#CC(=O)O b57ff59411fab0a6f532e6d94b16176e [0,0,0,0,0,0|1,0,2]=3 215 B11R0.148 C=CCCOCCCCC(=O)C 05ffe19f846de82006c5eee08e2996e5 [0,0,0,0,0,0|2,0,0]=2 216 B11R0.148 C=CCCOCCCCC(=O)N b7824d45cb4fb05ef28cd2c70812c4c1 [0,0,0,0,0,0|2,0,0]=2 217 B11R0.148 C=CCCOCCCCC(=O)O 490d834bae5ffeef13ea31917f780baf [0,0,0,0,0,0|1,0,0]=1 218 B11R0.148 C=CCCOCCCCC(C)C f6bda8b7c158535f791755a9ce160e8f [0,0,0,0,0,0|3,0,1]=4 219 B11R0.148 C=CCCOCCCCN(C)C 0b77597dbc1c751ede53a589e14f558c [0,0,0,0,0,0|4,0,0]=4 220 B11R0.148 C=CCCOCCCC[N+](=O)[O-] 8a406490c00499795e9e70488f66c816 [0,0,0,0,0,0|2,0,1]=3 221 B11R0.148 C=CCCOCCCNC(=O)C c004f670ee0faae6518976e057046a4b [0,0,0,0,0,0|3,0,0]=3 222 B11R0.148 C=CCCOCCCOC(=O)C dcaaebd9d2604901046ee53a949e0f85 [0,0,0,0,0,0|3,0,0]=3 223 B11R0.148 C=CCCOCCCOC(=S)C 64c600d452bf920e88e1d2623735748f [0,0,0,0,0,0|3,1,0]=4 224 B11R0.148 C=CCCOCCCO[N+](=O)[O-] 60f3afbea502280456bc22e48ef5d6b7 [0,0,0,0,0,0|3,0,1]=4 225 B11R0.148 C=CCCOCCCSC(=O)C 869df50435236cd00ac44af336ea5c29 [0,0,0,0,0,0|3,0,0]=3 226 B11R0.148 C=CCCOCCOCC(=C)C c6af241eaf03d5f44891359a6126d2e4 [0,0,0,0,0,0|4,0,0]=4 227 B11R0.148 C=CCCOCCOCC(=O)N e07d67310c8718a7a408b9fee3b69078 [0,0,0,0,0,0|3,0,0]=3 228 B11R0.148 C=CCCOCCOCC(=O)O c8021bdc03db984b7e788aa556881d06 [0,0,0,0,0,0|2,0,0]=2 229 B11R0.148 C=CCCOCCSCC(=O)N 24809a5e9fc5a1c2ba1051a85f39a9ba [0,0,0,0,0,0|3,0,0]=3 230 B11R0.148 C=CCNCCCCCC(=O)N efdac570934c43a683894828052a8e03 [0,0,0,0,0,0|2,0,0]=2 231 B11R0.148 C=CCNCCCCCC(=O)O c630c8f69ff59f492c87c3d61ac465be [0,0,0,0,0,0|1,0,0]=1 232 B11R0.148 C=CCNCCCCCC(C)C ff15c3c17f1c7966dca038c34306642c [0,0,0,0,0,0|3,0,1]=4 233 B11R0.148 C=CCNCCCCCN(C)C d6c7b32e0f3e413574798b79a2356262 [0,0,0,0,0,0|4,0,0]=4 234 B11R0.148 C=CCNCCCCNC(=O)C 9fcc3b820a52263c724f1c6e99acf298 [0,0,0,0,0,0|3,0,0]=3 235 B11R0.148 C=CCNCCOCCC(=O)O 2fd55b728e84b2f8d3ed934ec82c0b82 [0,0,0,0,0,0|2,0,0]=2 236 B11R0.148 C=CCOCCCCCC(=O)N 435169c43c3c07b6f70c5c63c1ef2fa9 [0,0,0,0,0,0|2,0,0]=2 237 B11R0.148 C=CCOCCCCCC(=O)O 44ac25b7127fbe958224eb7f2b32ac63 [0,0,0,0,0,0|1,0,0]=1 238 B11R0.148 C=CCOCCCCCC(C)C bbe0eca2170c1b3465975e7c964e0473 [0,0,0,0,0,0|3,0,1]=4 239 B11R0.148 C=CCOCCCCCN(C)C 1cc8bcea85585bbfb8fd46f70cd038b7 [0,0,0,0,0,0|4,0,0]=4 240 B11R0.148 C=CCOCCCCOC(=O)C 709e1c40004ee2faa288a071cb878eed [0,0,0,0,0,0|3,0,0]=3 241 B11R0.148 C=CCOCCCOCC(=S)N fd3f5dfe9591752631c76f282beca85b [0,0,0,0,0,0|3,1,0]=4 242 B11R0.148 C=CCOCCNCCC(=C)C acf51f8e533b9978ed8c5bcd8a51039d [0,0,0,0,0,0|4,0,0]=4 243 B11R0.148 C=CCOCCNCCC(=O)N b2c8ef7ca8298b846f454ba1678190e3 [0,0,0,0,0,0|3,0,0]=3 244 B11R0.148 C=CCOCCNCCC(=O)O 1ab64d6d1d5ca15817a42a804b14af2b [0,0,0,0,0,0|2,0,0]=2 245 B11R0.148 C=CCOCCNCCC(=S)N 0da5e3105756a3febd284f59cd630451 [0,0,0,0,0,0|3,1,0]=4 246 B11R0.148 C=CCOCCNCCC(C)O ee49b905615e2326f86359a0e0806d74 [0,0,0,0,0,0|3,0,1]=4 247 B11R0.148 C=CCOCCNCCS(=O)C 91871e875a6e6c868e3c72a17cea6d5e [0,0,0,0,0,0|4,0,0]=4 248 B11R0.148 C=CCOCCNCCS(=O)O 8a34546eae3e3c1b6adae6537aa7ba88 [0,0,0,0,0,0|3,0,0]=3 249 B11R0.148 C=CCOCCNCC[C@@H](C)O dd7e690e3dc15d244db1ba4dfbc4e8d6 [0,0,0,0,0,0|3,0,1]=4 250 B11R0.148 C=CCOCCNCC[C@H](C)O 5821d442eebe541cb5a194db990a613f [0,0,0,0,0,0|3,0,1]=4 251 B11R0.148 C=CCOCCOCCC(=C)Br 4d747ce462c149a830625c28a277896b [0,0,0,0,0,0|4,0,0]=4 252 B11R0.148 C=CCOCCOCCC(=C)C e030189edd37aa6d8674911c73604a4c [0,0,0,0,0,0|4,0,0]=4 253 B11R0.148 C=CCOCCOCCC(=O)C 833e54417d8d47b4ea850db05bb66829 [0,0,0,0,0,0|3,0,0]=3 254 B11R0.148 C=CCOCCOCCC(=O)N 849582dabc880b951dc5cd5c920ebfbf [0,0,0,0,0,0|3,0,0]=3 255 B11R0.148 C=CCOCCOCCC(=O)O 7891583d44e90422511e4a7ea11fe3f5 [0,0,0,0,0,0|2,0,0]=2 256 B11R0.148 C=CCOCCOCCS(=O)C 24720f641a69647f4f14e8957677b6f7 [0,0,0,0,0,0|4,0,0]=4 257 B11R0.148 C=CCOCCOCC[N+](=O)[O-] 74d7ae731e781ebfddbd6ef694cb5093 [0,0,0,0,0,0|3,0,1]=4 258 B11R0.148 C=CCOCCOCNC(=O)C dd4c29b73304a48d9f794c2128b09f55 [0,0,0,0,0,0|4,0,0]=4 259 B11R0.148 C=CCOCCOCNC(=O)N 326cd3f8771683a09a27419dc4c2ff4f [0,0,0,0,0,0|4,0,0]=4 260 B11R0.148 C=CCOCCOCOC(=O)C 4c1d93924da8959db141db4a286010ff [0,0,0,0,0,0|4,0,0]=4 261 B11R0.148 C=CCOCCOCSC(=O)N 7d9e77a6c582ca6dec3c7438254725e2 [0,0,0,0,0,0|4,0,0]=4 262 B11R0.148 C=COCCCCOCC(=C)Br 57cb3b92ed1c92794b9fdefb06174181 [0,0,0,0,0,0|4,0,0]=4 263 B11R0.148 C=COCCCCOCC(=C)C 454f57d9d7891bb81604bc4d121941ea [0,0,0,0,0,0|4,0,0]=4 264 B11R0.148 C=COCCCCOCC(=C)Cl 35dbe7521ae7ca82017fed0ae0e1225d [0,0,0,0,0,0|4,0,0]=4 265 B11R0.148 C=COCCCCOCC(=C)F e73eaf58e1ec9520f0b6d68c3fd25c36 [0,0,0,0,0,0|4,0,0]=4 266 B11R0.148 C=COCCCCOCC(=O)N caee6a3e4ec3fe5197d1f9ce10c42681 [0,0,0,0,0,0|3,0,0]=3 267 B11R0.148 C=COCCCCOCC(=O)O 144f099953022520389f8000dbc7df42 [0,0,0,0,0,0|2,0,0]=2 268 B11R0.148 C=COCCCCOC[N+](=O)[O-] e1e03c41eff94cfe893846c205bd6b90 [0,0,0,0,0,0|3,0,1]=4 269 B11R0.148 C=COCCCNCCC(=C)C 45ca208592dec57fa8b73778a3ed7f48 [0,0,0,0,0,0|4,0,0]=4 270 B11R0.148 C=COCCCNCCC(=O)C 61eb52d33bbe921842ced3f50d21da83 [0,0,0,0,0,0|3,0,0]=3 271 B11R0.148 C=COCCCNCCC(=O)N 0cc7dc68b9dc3bd87f6ac82fa5c04af0 [0,0,0,0,0,0|3,0,0]=3 272 B11R0.148 C=COCCCNCCC(=O)O d500b0e11ed72e2f403aa0ddfb57db2c [0,0,0,0,0,0|2,0,0]=2 273 B11R0.148 C=COCCCNCCC(C)O 94c52f0decbf1550010996feb2f78f26 [0,0,0,0,0,0|3,0,1]=4 274 B11R0.148 C=COCCCNCCS(=O)C ae60a8ba3297b35647f6331ebb317012 [0,0,0,0,0,0|4,0,0]=4 275 B11R0.148 C=COCCCNCOC(=O)C 6b764d51c474bce387eb268873259c9b [0,0,0,0,0,0|4,0,0]=4 276 B11R0.148 C=COCCCNCSC(=O)N b415037b87588793658ddad4799a8986 [0,0,0,0,0,0|4,0,0]=4 277 B11R0.148 C=COCCNC/C=C/C(=O)O 7a9093cbea9665d4655f04a27cac6a4c [0,0,0,0,0,0|2,0,2]=4 278 B11R0.148 C=COCCNCC=CC(=O)O 70f518b6611f6f5842a6a6568b081243 [0,0,0,0,0,0|2,0,2]=4 279 B11R0.148 C=COCCNCCCC(=C)C 404b23d5dd5fdea68a88403d65cd266e [0,0,0,0,0,0|4,0,0]=4 280 B11R0.148 C=COCCNCCCC(=O)C 429b79d5fe0012da0adec8621dc7498f [0,0,0,0,0,0|3,0,0]=3 281 B11R0.148 C=COCCNCCCC(=O)N f3c0a106c5432179fbb7b755b5a9cfce [0,0,0,0,0,0|3,0,0]=3 282 B11R0.148 C=COCCNCCCC(=O)O 26e8d6a41f398210080b0de3798ba78f [0,0,0,0,0,0|2,0,0]=2 283 B11R0.148 C=COCCNCCCC(C)O f9fca8a35e9ae8d30f90325f0be10ef2 [0,0,0,0,0,0|3,0,1]=4 284 B11R0.148 C=COCCNCCC[N+](=O)[O-] 642d2233fa44a7002d70682c1f7a8929 [0,0,0,0,0,0|3,0,1]=4 285 B11R0.148 C=COCCNCCNC(=O)C e37fe28a0376734b7eac3ddb683a2461 [0,0,0,0,0,0|4,0,0]=4 286 B11R0.148 C=COCCNCCNC(=O)N 637726f5e3f180f09d72996bf5b96589 [0,0,0,0,0,0|4,0,0]=4 287 B11R0.148 C=COCCNCCOC(=O)C 8249257ad5bea3dbabad7a8108862501 [0,0,0,0,0,0|4,0,0]=4 288 B11R0.148 C=COCCNCCSC(=O)C 1d4110ec9193c7dcc62c7f45bf7c6d20 [0,0,0,0,0,0|4,0,0]=4 289 B11R0.148 C=COCCOC/C=C/C(=O)O f0d84b7f12466b9ffe0a02f65a4d35f7 [0,0,0,0,0,0|2,0,2]=4 290 B11R0.148 C=COCCOCC=CC(=O)O e3f683aa8148fe0b2903ec70a433b6b2 [0,0,0,0,0,0|2,0,2]=4 291 B11R0.148 C=COCCOCCCC(=C)C c7e49170efb4f47dc2ea3fcfc22779e6 [0,0,0,0,0,0|4,0,0]=4 292 B11R0.148 C=COCCOCCCC(=O)C 2c02e532373157c017f4eaa9e406f46e [0,0,0,0,0,0|3,0,0]=3 293 B11R0.148 C=COCCOCCCC(=O)N 0381f25aca3a29a317b12cf7f64c1c21 [0,0,0,0,0,0|3,0,0]=3 294 B11R0.148 C=COCCOCCCC(=O)O e9ab1554f4ab2a4ca16a44bb1135248b [0,0,0,0,0,0|2,0,0]=2 295 B11R0.148 C=COCCOCCC[N+](=O)[O-] f842c25434eef6a8571396205f36779f [0,0,0,0,0,0|3,0,1]=4 296 B11R0.148 C=COCCOCCNC(=O)C 5bc7551623274452e91610df4943db7c [0,0,0,0,0,0|4,0,0]=4 297 B11R0.148 C=COCCOCCNC(=O)N 225650e3f0e484eb6b8d466cfeb3f066 [0,0,0,0,0,0|4,0,0]=4 298 B11R0.148 C=COCCOCCOC(=O)C 714bc7f1d92deb56a03c8d17962c5ab6 [0,0,0,0,0,0|4,0,0]=4 299 B11R0.148 C=COCCOCCSC(=O)C cae0492eafd8fd56f58b202e7d5f8088 [0,0,0,0,0,0|4,0,0]=4 300 B11R0.148 CC#CCCCOCCC(=O)O fe53d8926d6dfaf47d665b485dbbf6da [0,0,0,0,0,0|1,0,3]=4 301 B11R0.148 CC#CCCOCCCC(=O)O e191b4ef5322f2ff046b4504647b78d6 [0,0,0,0,0,0|1,0,3]=4 302 B11R0.148 CC(=O)CCCCCNCC#N 785e5e25390295926ee87a643166505f [0,0,0,0,0,0|3,0,1]=4 303 B11R0.148 CC(=O)CCCCCNCCBr 2814ea2073b8c89939c64a8e09a7e233 [0,0,0,0,0,0|3,0,1]=4 304 B11R0.148 CC(=O)CCCCCNCCF 265cbbf874da51a095cb484ec0438d5a [0,0,0,0,0,0|3,0,1]=4 305 B11R0.148 CC(=O)CCCCCNCCI 249e58dc239dab6a72796538d51ba9e8 [0,0,0,0,0,0|3,0,1]=4 306 B11R0.148 CC(=O)CCCCCNCCO 3e8a33401594d0af1994ed5e283e0ea1 [0,0,0,0,0,0|3,0,1]=4 307 B11R0.148 CC(=O)CCCCCNCCS 4b42acf5020fe410d7a756528278b61a [0,0,0,0,0,0|3,0,1]=4 308 B11R0.148 CC(=O)CCCCCOCC#N 697be21066f12f340cb580c950c34f93 [0,0,0,0,0,0|3,0,1]=4 309 B11R0.148 CC(=O)CCCCCOCCF acfcd3da13be6392ab1838f8edfa9eaf [0,0,0,0,0,0|3,0,1]=4 310 B11R0.148 CC(=O)CCCCCOCCS ae67aed9b0d9b06fefa17b6ef4dcaef7 [0,0,0,0,0,0|3,0,1]=4 311 B11R0.148 CC(=O)CCCCNCCC#N d7696c84ff37feed3520e34d4b93889d [0,0,0,0,0,0|3,0,1]=4 312 B11R0.148 CC(=O)CCCCNCCCCl 7c7b146c40c0acfb48aadb4e09bd4ce6 [0,0,0,0,0,0|3,0,1]=4 313 B11R0.148 CC(=O)CCCCNCCCO 5a85a5734691c87d84615e5d2effcf14 [0,0,0,0,0,0|3,0,1]=4 314 B11R0.148 CC(=O)CCCCNCCON d48a84c134d75e2d12afc3071c68f611 [0,0,0,0,0,0|4,0,0]=4 315 B11R0.148 CC(=O)CCCCOC/C=C/Cl b777ac701a76e0735cb0677313862602 [0,0,0,0,0,0|3,0,1]=4 316 B11R0.148 CC(=O)CCCCOC/C=C\Cl ddcf0fbb50dd03751718cdaa9aef0c71 [0,0,0,0,0,0|3,0,1]=4 317 B11R0.148 CC(=O)CCCCOCC=CCl 21c44ed9090945d9cf82aee02b5dce18 [0,0,0,0,0,0|3,0,1]=4 318 B11R0.148 CC(=O)CCCCOCCC#N ab52fd270045702a1453d24875fb43d3 [0,0,0,0,0,0|3,0,1]=4 319 B11R0.148 CC(=O)CCCCOCCC=O a1d5774d5e7ba3e60d7a5ab36f55d5ed [0,0,0,0,0,0|3,0,0]=3 320 B11R0.148 CC(=O)CCCCOCCCF a5a3ce24067ae081ca443bc54de8acf1 [0,0,0,0,0,0|3,0,1]=4 321 B11R0.148 CC(=O)CCCCOCCCS a7c6975baa6fe8aa2c12bfb3cf806d65 [0,0,0,0,0,0|3,0,1]=4 322 B11R0.148 CC(=O)CCCNCCCC#N bcace2da3b811c2a71d28a4d70f7fa68 [0,0,0,0,0,0|3,0,1]=4 323 B11R0.148 CC(=O)CCCNCCCCCl 1c197c6bb43dcf367a806b907cd1775a [0,0,0,0,0,0|3,0,1]=4 324 B11R0.148 CC(=O)CCCNCCCCO 50b6d540f864c9eb03851c0461d95814 [0,0,0,0,0,0|3,0,1]=4 325 B11R0.148 CC(=O)CCCNCCCCS 3984288bc637b2b6153052a7460caacb [0,0,0,0,0,0|3,0,1]=4 326 B11R0.148 CC(=O)CCCOCCCC#N 76f0e519c1863db8f27f5b1697408c8d [0,0,0,0,0,0|3,0,1]=4 327 B11R0.148 CC(=O)CCCOCCCC=O 6f7237a805ac819f2bc0b5e3560c3209 [0,0,0,0,0,0|3,0,0]=3 328 B11R0.148 CC(=O)CCCOCCCCF 5c7c199705317ad51fae8cb22f6ec3e8 [0,0,0,0,0,0|3,0,1]=4 329 B11R0.148 CC(=O)CCCOCCCCS 3689bb9ac1af1c3856b69e96e09668af [0,0,0,0,0,0|3,0,1]=4 330 B11R0.148 CC(=O)CCCOCCNC=O 45ad7d49f808766d1973212f484ffa3b [0,0,0,0,0,0|4,0,0]=4 331 B11R0.148 CC(=O)CCCOCCOC=O 14869f378e4360f6147f345901af1708 [0,0,0,0,0,0|4,0,0]=4 332 B11R0.148 CC(=O)CCNCCCCC#N ec47fa0191b7763aadcab55a1967dd71 [0,0,0,0,0,0|3,0,1]=4 333 B11R0.148 CC(=O)CCNCCCCCCl 55a8ea3d98c3c99a6dc9bb6e45f49262 [0,0,0,0,0,0|3,0,1]=4 334 B11R0.148 CC(=O)CCNCCCCCO 3e39b9d8eb28be289794d5a85c7d3904 [0,0,0,0,0,0|3,0,1]=4 335 B11R0.148 CC(=O)CCOCCCCC#N e81867cf766549649cfe4742e836b071 [0,0,0,0,0,0|3,0,1]=4 336 B11R0.148 CC(=O)CCOCCCCC=O f319f2a7b0adea4b6f8c0fb2de01c220 [0,0,0,0,0,0|3,0,0]=3 337 B11R0.148 CC(=O)CCOCCCCCF 6bb0a71e61b30b8b2e877852ef4f0b17 [0,0,0,0,0,0|3,0,1]=4 338 B11R0.148 CC(=O)CCOCCOCC=O e70e2d9a3d15a21403729cbf9ec49c21 [0,0,0,0,0,0|4,0,0]=4 339 B11R0.148 CC(=O)CNCCCCCC#N 3584b8d1a32b138638b1f0154f68d2e9 [0,0,0,0,0,0|3,0,1]=4 340 B11R0.148 CC(=O)CNCCCCCC=O dc1d1e49e88a07c8e8480ea556a29f03 [0,0,0,0,0,0|3,0,0]=3 341 B11R0.148 CC(=O)CNCCCCCCF e5220e4b1eb66b48d5fb2be647d0f093 [0,0,0,0,0,0|3,0,1]=4 342 B11R0.148 CC(=O)CNCCCCCCO 5ae8b5dcf45a271724ef32cc715e5de7 [0,0,0,0,0,0|3,0,1]=4 343 B11R0.148 CC(=O)COCCCCCC#N bdfe93c8e754bc393d6bf6add8339888 [0,0,0,0,0,0|3,0,1]=4 344 B11R0.148 CC(=O)COCCCCCC=O e86395281f8562d92fc2f29edfd19a69 [0,0,0,0,0,0|3,0,0]=3 345 B11R0.148 CC(=O)COCCCCCCF f9ddf83656d1768dec73eb1308c462ef [0,0,0,0,0,0|3,0,1]=4 346 B11R0.148 CC(=O)NCCCCCCCO 375247c5b76fff4f96757dfebee6b6e0 [0,0,0,0,0,0|3,0,1]=4 347 B11R0.148 CC(=O)NCCCCCNC=O 7d69373ad0c3cef6e69d4a5cd2246494 [0,0,0,0,0,0|4,0,0]=4 348 B11R0.148 CC(=O)NCCCCNCC=O 4ce55f462a48bfdda88c49b49a2b6194 [0,0,0,0,0,0|4,0,0]=4 349 B11R0.148 CC(=O)NCCCNCCC=O 61b1cc00ed5711faeaf0b74de50d1b97 [0,0,0,0,0,0|4,0,0]=4 350 B11R0.148 CC(=O)NCCCOCCC=O 9d2d528a44d33a0aea1e2053a947a806 [0,0,0,0,0,0|4,0,0]=4 351 B11R0.148 CC(=O)NCCNCCCC=O 96a7f606a576eaf06850c1c57e905704 [0,0,0,0,0,0|4,0,0]=4 352 B11R0.148 CC(=O)NCCOCCCC=O 64b1b81c6a8c268484d0b43cbfb08d46 [0,0,0,0,0,0|4,0,0]=4 353 B11R0.148 CC(=O)NCOCCCCC=O 13106a6bfa819d5f2fb5843edf9a5d7b [0,0,0,0,0,0|4,0,0]=4 354 B11R0.148 CC(=O)OCCCCOCC=O 7a8ca07230ff89769a0650313f4ed12a [0,0,0,0,0,0|4,0,0]=4 355 B11R0.148 CC(=O)OCCCOCCC=O ea66c3926592328d6fb11af2ce1493fa [0,0,0,0,0,0|4,0,0]=4 356 B11R0.148 CC(=O)OCCOCCCC=O a2c58b7afd99f122c9ce4bf32d49e576 [0,0,0,0,0,0|4,0,0]=4 357 B11R0.148 CC(=O)OCOCCCCC=O 2630a036338d9c71ad484091e423fe71 [0,0,0,0,0,0|4,0,0]=4 358 B11R0.148 CC(=O)SCCCOCCC=O ab3c82b7d5feaa23ef823c8776b11ebf [0,0,0,0,0,0|4,0,0]=4 359 B11R0.148 CC(=O)SCCOCCCC=O 6c8332f0fcc1bf98094733537174844e [0,0,0,0,0,0|4,0,0]=4 360 B11R0.148 CC(O)CCNCCCCC=O 70737627ac14d6796e688af3fb3817ad [0,0,0,0,0,0|3,0,1]=4 361 B11R0.148 CC(O)CNCCCCCC=O 9095a8ab3651e62ca00cbd11d2b34e30 [0,0,0,0,0,0|3,0,1]=4 362 B11R0.148 CC=C=CCCOCCC(=O)O ebd277a8b4404033eb4cf443092b6ad2 [0,0,0,0,0,0|1,0,3]=4 363 B11R0.148 CC=CCCCOCCC(=O)C 50bcf156e2369b18b56816d1805153d2 [0,0,0,0,0,0|2,0,2]=4 364 B11R0.148 CC=CCCCOCCC(=O)N caf128d8bb004c19da32286310e643da [0,0,0,0,0,0|2,0,2]=4 365 B11R0.148 CC=CCCCOCCC(=O)O f6f86ced1362c071849b97938ba5204e [0,0,0,0,0,0|1,0,2]=3 366 B11R0.148 CC=CCNCCCCC(=O)C 296a94e0be62cf093cb8964898119659 [0,0,0,0,0,0|2,0,2]=4 367 B11R0.148 CC=CCNCCCCC(=O)N fbd97eba57b03ffb9b26e91b0ae74ec9 [0,0,0,0,0,0|2,0,2]=4 368 B11R0.148 CC=CCNCCCCC(=O)O 48c56966ac4fb3c49c47586f8b97c510 [0,0,0,0,0,0|1,0,2]=3 369 B11R0.148 CC=CCNCCOCC(=O)O 48d69bff85cccf228060e0dba0fb6ec5 [0,0,0,0,0,0|2,0,2]=4 370 B11R0.148 CC=CCOCCCCC(=O)C 5c6450f66cf65929f42847c908ea9f53 [0,0,0,0,0,0|2,0,2]=4 371 B11R0.148 CC=CCOCCCCC(=O)N 64d2f9917c4752e9ddaed48a6c8b5a55 [0,0,0,0,0,0|2,0,2]=4 372 B11R0.148 CC=CCOCCCCC(=O)O 4f0d283fec8fd62f3e86f4402baea19f [0,0,0,0,0,0|1,0,2]=3 373 B11R0.148 CC=CCOCCOCC(=O)O e9071827c2b5fa6a2d2620fce082791a [0,0,0,0,0,0|2,0,2]=4 374 B11R0.148 CCCCCCCCNC(=O)C 9209ef01a8d3ac54b45708fef3a289cf [0,0,0,0,0,0|2,0,2]=4 375 B11R0.148 CCCCCCCNCC(=O)C ac5ad78030b2337dde4637cf4e637be8 [0,0,0,0,0,0|2,0,2]=4 376 B11R0.148 CCCCCCCNCC(=O)N 2fdb0dfccf9f802c713cfdaa07ea8b3d [0,0,0,0,0,0|2,0,2]=4 377 B11R0.148 CCCCCCCNCC(=O)O 604ac707776db9c80f9dbe81aba07aab [0,0,0,0,0,0|1,0,2]=3 378 B11R0.148 CCCCCCCOCC(=O)C dc592c317774d5dcca7353cd0379c413 [0,0,0,0,0,0|2,0,2]=4 379 B11R0.148 CCCCCCCOCC(=O)N e5e33b5f144e3b12955641244340651b [0,0,0,0,0,0|2,0,2]=4 380 B11R0.148 CCCCCCCOCC(=O)O 2e9c1bc97c278d8f4eec0fc057b4f886 [0,0,0,0,0,0|1,0,2]=3 381 B11R0.148 CCCCCCCOCS(=O)O a9e9ed12c8e5ec5a425575bf0efe96a6 [0,0,0,0,0,0|2,0,2]=4 382 B11R0.148 CCCCCCNCCC(=O)C dae7d5a91b1ed61fc00f967bfae50950 [0,0,0,0,0,0|2,0,2]=4 383 B11R0.148 CCCCCCNCCC(=O)N 56cad85fb9e1e012d0ba0b01c59f0ee9 [0,0,0,0,0,0|2,0,2]=4 384 B11R0.148 CCCCCCNCCC(=O)O 8d33e817dab78094c47164cc7392c6c0 [0,0,0,0,0,0|1,0,2]=3 385 B11R0.148 CCCCCCNCCS(=O)O c59e7a819938a1baeb219ab5b5f69d6b [0,0,0,0,0,0|2,0,2]=4 386 B11R0.148 CCCCCCOCCC(=O)C ba6ca6ffd5fb9c6cc4e8d129cf77ebb5 [0,0,0,0,0,0|2,0,2]=4 387 B11R0.148 CCCCCCOCCC(=O)N 54320f1e572400bcb39399fa00db0727 [0,0,0,0,0,0|2,0,2]=4 388 B11R0.148 CCCCCCOCCC(=O)O 4717319825633e38fbcaeec5411785fc [0,0,0,0,0,0|1,0,2]=3 389 B11R0.148 CCCCCNCCCC(=O)C ae79e8ea156a5e770911e0ef57b141fd [0,0,0,0,0,0|2,0,2]=4 390 B11R0.148 CCCCCNCCCC(=O)N 6cb86dd703d81819cb42e7bbe50cbf67 [0,0,0,0,0,0|2,0,2]=4 391 B11R0.148 CCCCCNCCCC(=O)O ce92314d02facc18c8164866ccc58acb [0,0,0,0,0,0|1,0,2]=3 392 B11R0.148 CCCCCOCCCC(=O)C 2d5fb2796be532f83de2b588a833a781 [0,0,0,0,0,0|2,0,2]=4 393 B11R0.148 CCCCCOCCCC(=O)N 6551ad614f50be62a9bef870153adc2e [0,0,0,0,0,0|2,0,2]=4 394 B11R0.148 CCCCNCCCCC(=O)C 544c9e2e2e33eb4d7d7343bae90cd58e [0,0,0,0,0,0|2,0,2]=4 395 B11R0.148 CCCCNCCCCC(=O)N 314026e751faa5b11c0ecab80061f9d7 [0,0,0,0,0,0|2,0,2]=4 396 B11R0.148 CCCCNCCCCC(=O)O db2891a1a49d26c3dd9a356095c13ecb [0,0,0,0,0,0|1,0,2]=3 397 B11R0.148 CCCCNCCOCC(=O)O c3ef0b6e39b500596a34f8201361fc3a [0,0,0,0,0,0|2,0,2]=4 398 B11R0.148 CCCCNCCSCC(=O)O 19c0aa25c2747ad4736c5abc66ee689c [0,0,0,0,0,0|2,0,2]=4 399 B11R0.148 CCCCOCCCCC(=O)C a62f0819767c2537c037059a9981780c [0,0,0,0,0,0|2,0,2]=4 400 B11R0.148 CCCCOCCCCC(=O)N cb00e11a7c4db378275f51f63aaca2e7 [0,0,0,0,0,0|2,0,2]=4 401 B11R0.148 CCCCOCCCCC(=O)O 00e520501e14c3e825ffc7300146a3fe [0,0,0,0,0,0|1,0,2]=3 402 B11R0.148 CCCCOCCNCC(=O)O 5e535394d6f535f6322b79b8b1a838be [0,0,0,0,0,0|2,0,2]=4 403 B11R0.148 CCCCOCCOCC(=O)O f3952d347bddfc2dfd656d051a77ceb9 [0,0,0,0,0,0|2,0,2]=4 404 B11R0.148 CCCCOCNCCC(=O)O 59d3523aaed3910cf6d2b55b40981768 [0,0,0,0,0,0|2,0,2]=4 405 B11R0.148 CCCCOCOCCC(=O)O 1fc55cd284db7eca48e94025d087c373 [0,0,0,0,0,0|2,0,2]=4 406 B11R0.148 CCCCSCCOCC(=O)O ac797cbb248e6531ce12e2e37d4432b3 [0,0,0,0,0,0|2,0,2]=4 407 B11R0.148 CCCNCCCCCC(=O)C 354cff2ef02214f278274b1186349715 [0,0,0,0,0,0|2,0,2]=4 408 B11R0.148 CCCNCCCCCC(=O)N 2e59cc5df0185c8509f72f74417558d3 [0,0,0,0,0,0|2,0,2]=4 409 B11R0.148 CCCNCCCCCC(=O)O 040617eb9e641e6c46ed6e1b925655c5 [0,0,0,0,0,0|1,0,2]=3 410 B11R0.148 CCCNCCCOCC(=O)O 0fe8426b6f63ee30bea77f979722006c [0,0,0,0,0,0|2,0,2]=4 411 B11R0.148 CCCNCCOCCC(=O)O 1f840a8dfeffea9a17d6831074997663 [0,0,0,0,0,0|2,0,2]=4 412 B11R0.148 CCCOCCCCCC(=O)C a9dd639cc488907d7b3255974d45f633 [0,0,0,0,0,0|2,0,2]=4 413 B11R0.148 CCCOCCCCCC(=O)N c8deadad22ee695447eda984e0e00b27 [0,0,0,0,0,0|2,0,2]=4 414 B11R0.148 CCCOCCCCCC(=O)O fa333152e0beffd56620c1d14609917b [0,0,0,0,0,0|1,0,2]=3 415 B11R0.148 CCCOCCCNCC(=O)O 295a16ed1d6368a92e0dacd0d6a7c9c0 [0,0,0,0,0,0|2,0,2]=4 416 B11R0.148 CCCOCCCOCC(=O)O 1f8662db2650bfb91265d5551bc7d84a [0,0,0,0,0,0|2,0,2]=4 417 B11R0.148 CCCOCCNCCC(=O)O 3216e228b5856edae86b90ecacfcf231 [0,0,0,0,0,0|2,0,2]=4 418 B11R0.148 CCCOCCOCCC(=O)O 481e9c6b14336445a42a64879cba16db [0,0,0,0,0,0|2,0,2]=4 419 B11R0.148 CCCSCCOCCC(=O)O 547739abbd1ded8057bcdde3e3594a1e [0,0,0,0,0,0|2,0,2]=4 420 B11R0.148 CCNCCCCCCC(=O)O e9a5c8afc11b12a621b1b3a6781fbc3e [0,0,0,0,0,0|1,0,2]=3 421 B11R0.148 CCOCCCCCCC(=O)N 4309c4ad68143dc07468ec85b2f0df7c [0,0,0,0,0,0|2,0,2]=4 422 B11R0.148 CCOCCCCCCC(=O)O c60be55443aee57331a1445b50b93edc [0,0,0,0,0,0|1,0,2]=3 423 B11R0.148 CCOCCCNCCC(=O)O 2b2f9d5d9072aa622d59e92279d2763e [0,0,0,0,0,0|2,0,2]=4 424 B11R0.148 CCOCCCOCCC(=O)O 960bfd3fbc61cd9dd8dab5b3be9764c1 [0,0,0,0,0,0|2,0,2]=4 425 B11R0.148 CCOCCNCCCC(=O)O 8e29492c33ef7432580d9c26f2acb055 [0,0,0,0,0,0|2,0,2]=4 426 B11R0.148 CCOCCOCCCC(=O)O 7188f19f71415130253b8f1d4ffb2ebe [0,0,0,0,0,0|2,0,2]=4 427 B11R0.148 CCOCNCCCCC(=O)O aa1ae81ce73a99ebbf1bd5e7fa2b61d8 [0,0,0,0,0,0|2,0,2]=4 428 B11R0.148 CCSCCCCNCC(=O)O 48d23c14c94084e7bff45772097aafd6 [0,0,0,0,0,0|2,0,2]=4 429 B11R0.148 CCSCCCOCCC(=O)O 295ed2aed1a2219fd17360210752fa06 [0,0,0,0,0,0|2,0,2]=4 430 B11R0.148 CCSCCNCCCC(=O)O e75265f16a8580bfb93e2109f6957cdc [0,0,0,0,0,0|2,0,2]=4 431 B11R0.148 CCSCCOCCCC(=O)O be81c63483d7f62e89bb00d9826e624f [0,0,0,0,0,0|2,0,2]=4 432 B11R0.148 COCCCCCNCC(=O)C f14a0e7c6184fb994195ce1a50edd828 [0,0,0,0,0,0|3,0,1]=4 433 B11R0.148 COCCCCCNCC(=O)N 5e2dc0da8065545854a47ea7255ef805 [0,0,0,0,0,0|3,0,1]=4 434 B11R0.148 COCCCCCNCC(=O)O e9d365c9b641bfa544654729405f2968 [0,0,0,0,0,0|2,0,1]=3 435 B11R0.148 COCCCCCOCC(=O)C d37277e1c0f5be693f57271e9f1f4394 [0,0,0,0,0,0|3,0,1]=4 436 B11R0.148 COCCCCCOCC(=O)N 4c7f4bf046a594ea659f3ea364afa19d [0,0,0,0,0,0|3,0,1]=4 437 B11R0.148 COCCCCCOCC(=O)O 2ece8647978153469dc704b17fef017d [0,0,0,0,0,0|2,0,1]=3 438 B11R0.148 COCCCCCOCS(=O)O 741a08e6be66276ff6cd81a1454639e7 [0,0,0,0,0,0|3,0,1]=4 439 B11R0.148 COCCCCNCCC(=O)C 99d64fad0e8afbca73c8d652d21bae31 [0,0,0,0,0,0|3,0,1]=4 440 B11R0.148 COCCCCNCCC(=O)N 9deedf36132fe49c67ba11317c5d11c3 [0,0,0,0,0,0|3,0,1]=4 441 B11R0.148 COCCCCNCCC(=O)O d7bbe9fde4ea1411124188ea6025950d [0,0,0,0,0,0|2,0,1]=3 442 B11R0.148 COCCCCNCCS(=O)O b8dcdd169fa038b597bf1923574605a9 [0,0,0,0,0,0|3,0,1]=4 443 B11R0.148 COCCCCOCCC(=O)C f1c810eb131cc0cf69e918163bd7c135 [0,0,0,0,0,0|3,0,1]=4 444 B11R0.148 COCCCCOCCC(=O)N 5fb1bb369e75aaf8f9cefa645aa9df3c [0,0,0,0,0,0|3,0,1]=4 445 B11R0.148 COCCCCOCCC(=O)O a9a7f1dd96d065141ddf56bc5e4dadb6 [0,0,0,0,0,0|2,0,1]=3 446 B11R0.148 COCCCNCCCC(=O)C 4ccb1c720ecdf7e33d7132d28dd2a288 [0,0,0,0,0,0|3,0,1]=4 447 B11R0.148 COCCCNCCCC(=O)N ff1311ddd2554bd05fa21dab09b80c0c [0,0,0,0,0,0|3,0,1]=4 448 B11R0.148 COCCCNCCCC(=O)O dfefe79baa8d3de2e2f22b6b63766bcf [0,0,0,0,0,0|2,0,1]=3 449 B11R0.148 COCCCOCCCC(=O)C 87d421651be24118b98fa50f3606c492 [0,0,0,0,0,0|3,0,1]=4 450 B11R0.148 COCCCOCCCC(=O)N 570bc79fbc9673c05caf76b7272e29d2 [0,0,0,0,0,0|3,0,1]=4 451 B11R0.148 COCCCOCCCC(=O)O 49621db20500d04702119d17ede7109b [0,0,0,0,0,0|2,0,1]=3 452 B11R0.148 COCCNCCCCC(=O)C 5c740e29f6604eaf8ea19cb01cba1f89 [0,0,0,0,0,0|3,0,1]=4 453 B11R0.148 COCCNCCCCC(=O)N a69178594994fce2b09a3283598a799f [0,0,0,0,0,0|3,0,1]=4 454 B11R0.148 COCCNCCCCC(=O)O d88042a9f5ae6ecad4def0db5518e485 [0,0,0,0,0,0|2,0,1]=3 455 B11R0.148 COCCNCCOCC(=O)O 15d675cffbe1288665b8934bfa047fb6 [0,0,0,0,0,0|3,0,1]=4 456 B11R0.148 COCCNCCSCC(=O)O ffd3b5a9d8009e9bff3ba8de7b83a824 [0,0,0,0,0,0|3,0,1]=4 457 B11R0.148 COCCOCCCCC(=O)C e1bd35f3a7437c78a11075e0c6413b43 [0,0,0,0,0,0|3,0,1]=4 458 B11R0.148 COCCOCCCCC(=O)N 2ba56663b33293fd90334bbc3ce2783c [0,0,0,0,0,0|3,0,1]=4 459 B11R0.148 COCCOCCCCC(=O)O 1bfe81f974cd55b00acd5b66b8e21fb5 [0,0,0,0,0,0|2,0,1]=3 460 B11R0.148 COCCOCCNCC(=O)O 4f8ab39ff2e64affe7e41f9cb12fdb1e [0,0,0,0,0,0|3,0,1]=4 461 B11R0.148 COCCOCCOCC(=O)O 4b9c2d93a46cacbc0f62960a2df3fdb8 [0,0,0,0,0,0|3,0,1]=4 462 B11R0.148 COCCOCNCCC(=O)O bbab7e153f20ab9667338eaaa08e1901 [0,0,0,0,0,0|3,0,1]=4 463 B11R0.148 COCCOCOCCC(=O)O 5772da795f93dea9920f6ebf20f57b11 [0,0,0,0,0,0|3,0,1]=4 464 B11R0.148 COCNCCCCCC(=O)N 3e0d2fc5909731ebfd66c780a541df66 [0,0,0,0,0,0|3,0,1]=4 465 B11R0.148 COCNCCCCCC(=O)O b84fb7ca56aca6e16d69f0a227ea45a4 [0,0,0,0,0,0|2,0,1]=3 466 B11R0.148 COCNCCOCCC(=O)O be54a5a5d98338d49fd427bec81e53b6 [0,0,0,0,0,0|3,0,1]=4 467 B11R0.148 COCOCCCCCC(=O)C 8894b132b8e9272b0a87d56a7ee0b630 [0,0,0,0,0,0|3,0,1]=4 468 B11R0.148 COCOCCCCCC(=O)N 07ed3ae14bcd126283d6dac98a51ed7c [0,0,0,0,0,0|3,0,1]=4 469 B11R0.148 COCOCCCCCC(=O)O 3afdcf882d4b857d276025b0908b1b82 [0,0,0,0,0,0|2,0,1]=3 470 B11R0.148 COCOCCCOCC(=O)O c8bb76e993d272da528ebe3f15d68bd5 [0,0,0,0,0,0|3,0,1]=4 471 B11R0.148 COCOCCNCCC(=O)O 6a66c9967cc151f65e8c0d2128356100 [0,0,0,0,0,0|3,0,1]=4 472 B11R0.148 COCOCCOCCC(=O)O 2ad8c40c4a4ec91bd2a1689455e9cdb7 [0,0,0,0,0,0|3,0,1]=4 473 B11R0.148 CS(=O)CCCNCCCC=O f3bdcb97168217ebe77465d8b83221bc [0,0,0,0,0,0|4,0,0]=4 474 B11R0.148 CS(=O)CCNCCCCC=O 43893b3e60e136a8a1941768e9a7df48 [0,0,0,0,0,0|4,0,0]=4 475 B11R0.148 CS(=O)CCOCCCCC=O 5920e663ccdb05795d9cbc712c9d458a [0,0,0,0,0,0|4,0,0]=4 476 B11R0.148 CSCCCCNCCC(=O)C 1f7db8bdc8277aba598a98a9c4ce4908 [0,0,0,0,0,0|3,0,1]=4 477 B11R0.148 CSCCCCNCCC(=O)N 4dd0d855e58cae245d159571d6ba86cd [0,0,0,0,0,0|3,0,1]=4 478 B11R0.148 CSCCCCNCCC(=O)O 9409e81796fd35b2e0b4559edafca006 [0,0,0,0,0,0|2,0,1]=3 479 B11R0.148 CSCCCCOCCC(=O)C 9eb1c820143deb28ccbdac5fefd19556 [0,0,0,0,0,0|3,0,1]=4 480 B11R0.148 CSCCCCOCCC(=O)N dbc3a4092eba73152ad21bef2d70031b [0,0,0,0,0,0|3,0,1]=4 481 B11R0.148 CSCCCCOCCC(=O)O 098451fe3919d093232420bf266192f1 [0,0,0,0,0,0|2,0,1]=3 482 B11R0.148 CSCCCNCCCC(=O)C 22c2a84284aa7fbe7690e72ac77f3f99 [0,0,0,0,0,0|3,0,1]=4 483 B11R0.148 CSCCCNCCCC(=O)N 47d7889b3983591ca5fa6b39511cbc77 [0,0,0,0,0,0|3,0,1]=4 484 B11R0.148 CSCCCNCCCC(=O)O 8c251662d46bbe64d437e9d1f67bd41a [0,0,0,0,0,0|2,0,1]=3 485 B11R0.148 CSCCCOCCCC(=O)C 5468e78dba08221c943b6f4f7653f163 [0,0,0,0,0,0|3,0,1]=4 486 B11R0.148 CSCCCOCCCC(=O)N 7d3fb507284e5af4b512ff6e4a524af2 [0,0,0,0,0,0|3,0,1]=4 487 B11R0.148 CSCCNCCCCC(=O)C a38fe99fe24381b306612176189b7551 [0,0,0,0,0,0|3,0,1]=4 488 B11R0.148 CSCCNCCCCC(=O)N 06f3f571524ce4eefb1c87affcec6672 [0,0,0,0,0,0|3,0,1]=4 489 B11R0.148 CSCCNCCCCC(=O)O 0ac653ab402a0b6c32997eff60de279c [0,0,0,0,0,0|2,0,1]=3 490 B11R0.148 CSCCNCCOCC(=O)O 6c96be9e65b19a58136170da98d1dae9 [0,0,0,0,0,0|3,0,1]=4 491 B11R0.148 CSCCNCCSCC(=O)O 097c3b582529e35100ba182304150a64 [0,0,0,0,0,0|3,0,1]=4 492 B11R0.148 CSCCOCCCCC(=O)C 47a2d2ae2f15bfafe11ae3359b2de694 [0,0,0,0,0,0|3,0,1]=4 493 B11R0.148 CSCCOCCCCC(=O)N 5f77339468c72b4a2fce895b8fb41a2c [0,0,0,0,0,0|3,0,1]=4 494 B11R0.148 CSCCOCCCCC(=O)O f3fe1c8d2ae8384b166b285c6df10be0 [0,0,0,0,0,0|2,0,1]=3 495 B11R0.148 CSCCOCCOCC(=O)O 57299f061059627091b9f9a48ab17d8f [0,0,0,0,0,0|3,0,1]=4 496 B11R0.148 CSCNCCCCCC(=O)N 00c863b0511ae6d61381c78728bb42eb [0,0,0,0,0,0|3,0,1]=4 497 B11R0.148 CSCNCCCCCC(=O)O 26d2736a3f2658d831b221671ef27c2e [0,0,0,0,0,0|2,0,1]=3 498 B11R0.148 CSCNCCOCCC(=O)O 5fe9043a8395e1eaaf3d18dac6cf4340 [0,0,0,0,0,0|3,0,1]=4 499 B11R0.148 CSCOCCCCCC(=O)N 6c92460901d402968b41c312d5b4abd4 [0,0,0,0,0,0|3,0,1]=4 500 B11R0.148 CSCOCCCCCC(=O)O 310637b1b9fac0b1bb35b90b669b7b82 [0,0,0,0,0,0|2,0,1]=3 501 B11R0.148 CSCOCCOCCC(=O)O 923a5b3a9a408bcf0694efdbe730935d [0,0,0,0,0,0|3,0,1]=4 502 B11R0.148 C[C@@H](O)CCNCCCCC=O 010600455d2ffa58130661d85aabd0c8 [0,0,0,0,0,0|3,0,1]=4 503 B11R0.148 C[C@@H](O)CNCCCCCC=O 056623fd9c29f8dba0cccf58483d1dfa [0,0,0,0,0,0|3,0,1]=4 504 B11R0.148 C[C@H](O)CCNCCCCC=O ea5069562580d7a6455b26185c2a1881 [0,0,0,0,0,0|3,0,1]=4 505 B11R0.148 C[C@H](O)CNCCCCCC=O 7416b0f1118c4cb76e304ddb613167d2 [0,0,0,0,0,0|3,0,1]=4 506 B11R0.148 N#CCCCCCNCC(=O)N 19b3bf6f77ad056159c168baf3eebbc9 [0,0,0,0,0,0|3,0,1]=4 507 B11R0.148 N#CCCCCCNCC(=O)O 1bf499029f5dc5eea2b959a114cd3b1d [0,0,0,0,0,0|2,0,1]=3 508 B11R0.148 N#CCCCCCOCC(=O)N ff885f87f5695731a8573eb7eea7a498 [0,0,0,0,0,0|3,0,1]=4 509 B11R0.148 N#CCCCCCOCC(=O)O 679193cfeb5b6c38f78e0c62c7127cef [0,0,0,0,0,0|2,0,1]=3 510 B11R0.148 N#CCCCCCOCS(=O)O 5cb67f66e43c860e22fd2417a856a4e7 [0,0,0,0,0,0|3,0,1]=4 511 B11R0.148 N#CCCCCNCCC(=O)N 16a00d42fff9e07f7ecea6aedf72c743 [0,0,0,0,0,0|3,0,1]=4 512 B11R0.148 N#CCCCCNCCC(=O)O 087ba8fa4230d1b3b3c497e2dc44abae [0,0,0,0,0,0|2,0,1]=3 513 B11R0.148 N#CCCCCNCCS(=O)O d7e99ff3dd85173b01b5102a9f3f1ffd [0,0,0,0,0,0|3,0,1]=4 514 B11R0.148 N#CCCCCOCCC(=O)N 8f89376cda5075cb3e67fdffb008d02b [0,0,0,0,0,0|3,0,1]=4 515 B11R0.148 N#CCCCCOCCC(=O)O 34c54ff37c497a81d69f0b04bf43e644 [0,0,0,0,0,0|2,0,1]=3 516 B11R0.148 N#CCCCNCCCC(=O)N d5f0c679a75421ea5eff7a1714ffc1b0 [0,0,0,0,0,0|3,0,1]=4 517 B11R0.148 N#CCCCNCCCC(=O)O 5ed20f59e53452a591e4d29e95b42c6d [0,0,0,0,0,0|2,0,1]=3 518 B11R0.148 N#CCCCOCCCC(=O)N 2077037452741945c95726d47c9255f5 [0,0,0,0,0,0|3,0,1]=4 519 B11R0.148 N#CCCNCCCCC(=O)N 3d7baaea045c512d2c314a2b4776b083 [0,0,0,0,0,0|3,0,1]=4 520 B11R0.148 N#CCCNCCCCC(=O)O e3e746e96d067b4d6657621fc248dbef [0,0,0,0,0,0|2,0,1]=3 521 B11R0.148 N#CCCNCCOCC(=O)O 751b7abda64e72c20422b5212f6cb8e8 [0,0,0,0,0,0|3,0,1]=4 522 B11R0.148 N#CCCNCCSCC(=O)O 7b0bf946fc9eb418ed0e3fa593f91f7d [0,0,0,0,0,0|3,0,1]=4 523 B11R0.148 N#CCCOCCCCC(=O)N 080f32fab30836918d9ae980c3c98962 [0,0,0,0,0,0|3,0,1]=4 524 B11R0.148 N#CCCOCCCCC(=O)O 37138af8b8fa4f740ccc5bd60e0d9082 [0,0,0,0,0,0|2,0,1]=3 525 B11R0.148 N#CCCOCCOCC(=O)O 20197720be2a20ae63c59197e524288b [0,0,0,0,0,0|3,0,1]=4 526 B11R0.148 N#CCNCCCCCC(=O)N a14680dad7e19798aa301699cd1db545 [0,0,0,0,0,0|3,0,1]=4 527 B11R0.148 N#CCNCCCCCC(=O)O a0b7af87735dcbe4e735980121169cfa [0,0,0,0,0,0|2,0,1]=3 528 B11R0.148 N#CCNCCCOCC(=O)O 9afbbad47e4c3469031cc922de00456a [0,0,0,0,0,0|3,0,1]=4 529 B11R0.148 N#CCNCCOCCC(=O)O c0eb2adedae2dc9dc21160eed309691c [0,0,0,0,0,0|3,0,1]=4 530 B11R0.148 N#CCOCCCCCC(=O)N e969099dea7a81e5f47d54c94ae6eb05 [0,0,0,0,0,0|3,0,1]=4 531 B11R0.148 N#CCOCCCCCC(=O)O f59c3d9d12d8bb96941eb6884b2ecde7 [0,0,0,0,0,0|2,0,1]=3 532 B11R0.148 N#CCOCCCOCC(=O)O 602383497d5fed15cc2d6b1626358337 [0,0,0,0,0,0|3,0,1]=4 533 B11R0.148 N#CCOCCNCCC(=O)O 7b88908ffda447d93a57d2bdb8e4d28a [0,0,0,0,0,0|3,0,1]=4 534 B11R0.148 N#CCOCCOCCC(=O)O 3e9ad67bc59e60da0d3a23ef72f29ee1 [0,0,0,0,0,0|3,0,1]=4 535 B11R0.148 N#CSCOCCCCC(=O)O 1f92e38548d85c319d1a8fcbfc5fab88 [0,0,0,0,0,0|3,0,1]=4 536 B11R0.148 NC(=O)CCCCCCOCF 5912a90813a22a252124d79603e67eeb [0,0,0,0,0,0|3,0,1]=4 537 B11R0.148 NC(=O)CCCCCNCC=O 433be4a88746ec6b3fd1f3f7186e4d5d [0,0,0,0,0,0|3,0,0]=3 538 B11R0.148 NC(=O)CCCCCNCCBr 4cc95e8fd24244de2a7953165e679787 [0,0,0,0,0,0|3,0,1]=4 539 B11R0.148 NC(=O)CCCCCNCCF db1c38623aef4f75b1379fc269f55ba1 [0,0,0,0,0,0|3,0,1]=4 540 B11R0.148 NC(=O)CCCCCNCCI e88fc17de8fa64897e7b36800caba9d1 [0,0,0,0,0,0|3,0,1]=4 541 B11R0.148 NC(=O)CCCCCNCCO 676d36a100eb1cca293efa0d8eec14c7 [0,0,0,0,0,0|3,0,1]=4 542 B11R0.148 NC(=O)CCCCCNCCS 30c087a43e3fe380d6293d406d2c653b [0,0,0,0,0,0|3,0,1]=4 543 B11R0.148 NC(=O)CCCCCOCC=O 7aefdb55de8dc879f17023eb9ccb8a4d [0,0,0,0,0,0|3,0,0]=3 544 B11R0.148 NC(=O)CCCCCOCCF 536d6402fa848dd7bc96ccb71d509acf [0,0,0,0,0,0|3,0,1]=4 545 B11R0.148 NC(=O)CCCCCOCCS 82f2d047583d437871872c1d2f5c5fb7 [0,0,0,0,0,0|3,0,1]=4 546 B11R0.148 NC(=O)CCCCNC/C=C/Cl e2c57a79a8f70a6f4f157d8f19ff1138 [0,0,0,0,0,0|3,0,1]=4 547 B11R0.148 NC(=O)CCCCNC/C=C\Cl d7988379b7814190d1a40988a5984733 [0,0,0,0,0,0|3,0,1]=4 548 B11R0.148 NC(=O)CCCCNC/C=C\O dc769d96fd6fed272774795dc17a3fc1 [0,0,0,0,0,0|3,0,1]=4 549 B11R0.148 NC(=O)CCCCNCCC=O a914630748fa31f30156146f84c0bce8 [0,0,0,0,0,0|3,0,0]=3 550 B11R0.148 NC(=O)CCCCNCCCCl c69a6c609e601cc521d945a717421b4f [0,0,0,0,0,0|3,0,1]=4 551 B11R0.148 NC(=O)CCCCNCCCF f8a64426d37eea6493858e282e42a11c [0,0,0,0,0,0|3,0,1]=4 552 B11R0.148 NC(=O)CCCCNCCCO 20f2a9509c580205b29d9ee0a7ccb454 [0,0,0,0,0,0|3,0,1]=4 553 B11R0.148 NC(=O)CCCCNCCCS 546a28f163a4f3de6f5e792c134c5828 [0,0,0,0,0,0|3,0,1]=4 554 B11R0.148 NC(=O)CCCCOC/C=C/Cl b14cbd03296659be243861ea7a286d8e [0,0,0,0,0,0|3,0,1]=4 555 B11R0.148 NC(=O)CCCCOC/C=C\Cl 0c07897c04bf2ab407fde2d49b56c861 [0,0,0,0,0,0|3,0,1]=4 556 B11R0.148 NC(=O)CCCCOCC=CCl bb5b5ddffb18ef2456054c9c45af8472 [0,0,0,0,0,0|3,0,1]=4 557 B11R0.148 NC(=O)CCCCOCCC=O a0996701850bae960e53316f644a555f [0,0,0,0,0,0|3,0,0]=3 558 B11R0.148 NC(=O)CCCCOCCCF 20d052fe0c2ffdfa693ff94ce3087a74 [0,0,0,0,0,0|3,0,1]=4 559 B11R0.148 NC(=O)CCCCOCCCS 25ace9e1542d548bb5d0d23c164a887a [0,0,0,0,0,0|3,0,1]=4 560 B11R0.148 NC(=O)CCCNCCCC=O de2f3abd95b16c8552e8a2346aa2a47e [0,0,0,0,0,0|3,0,0]=3 561 B11R0.148 NC(=O)CCCNCCCCCl fdfb490e683e5bd92dac8295b169f8f5 [0,0,0,0,0,0|3,0,1]=4 562 B11R0.148 NC(=O)CCCNCCCCF 84c2fc981a0d8c63fb569de5cce6377f [0,0,0,0,0,0|3,0,1]=4 563 B11R0.148 NC(=O)CCCNCCCCO 8bfcde3cf3cc139a16cdde6d352acb46 [0,0,0,0,0,0|3,0,1]=4 564 B11R0.148 NC(=O)CCCNCCCCS f0ad94ef0f1d660773bff0d890fbcae6 [0,0,0,0,0,0|3,0,1]=4 565 B11R0.148 NC(=O)CCCOCCCC=O 7834e9b2e72242ea47febb183ca16422 [0,0,0,0,0,0|3,0,0]=3 566 B11R0.148 NC(=O)CCCOCCCCF facbf834bb753e13c1cf5d08e0c79d3b [0,0,0,0,0,0|3,0,1]=4 567 B11R0.148 NC(=O)CCCOCCCCS 015cd073cacedef6f76994cac1ed249b [0,0,0,0,0,0|3,0,1]=4 568 B11R0.148 NC(=O)CCCOCCNC=O 7280fbeeb743b3fa817b999607a9dcc9 [0,0,0,0,0,0|4,0,0]=4 569 B11R0.148 NC(=O)CCCOCCOC=O 5c3da7b9a5d1d6e4c7f43037717ad0eb [0,0,0,0,0,0|4,0,0]=4 570 B11R0.148 NC(=O)CCNCCCCC=O f72150e97344b5481fcfaec7a791a7f1 [0,0,0,0,0,0|3,0,0]=3 571 B11R0.148 NC(=O)CCNCCCCCCl 7e203effe8696849f54942b2d9c25d40 [0,0,0,0,0,0|3,0,1]=4 572 B11R0.148 NC(=O)CCNCCCCCF 7a247e3fce618c1e885f2ac4bd736c7f [0,0,0,0,0,0|3,0,1]=4 573 B11R0.148 NC(=O)CCNCCCCCO d4108848428ef3c6a600ec7dba42db55 [0,0,0,0,0,0|3,0,1]=4 574 B11R0.148 NC(=O)CCNCCOCC=O 5a6c779c8095798b78183de8a73f85a4 [0,0,0,0,0,0|4,0,0]=4 575 B11R0.148 NC(=O)CCOCCCCC=O ff0e9e8d325a3bccf30e38d08cae0026 [0,0,0,0,0,0|3,0,0]=3 576 B11R0.148 NC(=O)CCOCCCCCF 00a733452876517b4da265e170bc7bbd [0,0,0,0,0,0|3,0,1]=4 577 B11R0.148 NC(=O)CCOCCOCC=O f5ef6578380102a11065618ce425be63 [0,0,0,0,0,0|4,0,0]=4 578 B11R0.148 NC(=O)CCSCCCNC=O d997bdcbf388f359a383d04ac04e19b4 [0,0,0,0,0,0|4,0,0]=4 579 B11R0.148 NC(=O)CNCCCCCC=O 56f80da7b354772ffe29a9cee4f3c583 [0,0,0,0,0,0|3,0,0]=3 580 B11R0.148 NC(=O)CNCCCCCCCl 262e224afd9a8ca40fdeb1d245ad5407 [0,0,0,0,0,0|3,0,1]=4 581 B11R0.148 NC(=O)CNCCCCCCF 3fa65816c27386354d646980a6113507 [0,0,0,0,0,0|3,0,1]=4 582 B11R0.148 NC(=O)CNCCCCCCO 6f432ee9a5143b26f833302f9e4d6881 [0,0,0,0,0,0|3,0,1]=4 583 B11R0.148 NC(=O)COCCCCCC=O 080ce4e04703a90e38590d017a0db063 [0,0,0,0,0,0|3,0,0]=3 584 B11R0.148 NC(=O)COCCCCCCF dbced36028a89e27b9638aa57d1b522d [0,0,0,0,0,0|3,0,1]=4 585 B11R0.148 NC(=O)COCCCCCCS f50384597f9f1096fdb1d0d3409d446b [0,0,0,0,0,0|3,0,1]=4 586 B11R0.148 NC(=O)COCCOCCC=O a994fd9b4961e391d6f3d34abf206873 [0,0,0,0,0,0|4,0,0]=4 587 B11R0.148 NC(=O)CSCCOCCC=O 37b2dda86f161296475914cad5852fe9 [0,0,0,0,0,0|4,0,0]=4 588 B11R0.148 NC(=O)NCCOCCCC=O 23293ec5287fd02f90aa51adba40c2a0 [0,0,0,0,0,0|4,0,0]=4 589 B11R0.148 NC(=O)NCOCCCCC=O 74c8d5b0b7664afe23d07109564a792d [0,0,0,0,0,0|4,0,0]=4 590 B11R0.148 NC(=O)SCOCCCCC=O 044b344cbd020b788d05dc17c6d5d492 [0,0,0,0,0,0|4,0,0]=4 591 B11R0.148 NC(=S)CCNCCCCC=O d7e0a50c97a60c92e0e4601db01c839c [0,0,0,0,0,0|3,1,0]=4 592 B11R0.148 NC(=S)COCCCCCC=O 0e1150ad6a7c3f4ec4f552c9c6c5b001 [0,0,0,0,0,0|3,1,0]=4 593 B11R0.148 NOCCCCNCCC(=O)N 2cbb00a84387ddee41e737834569ea92 [0,0,0,0,0,0|4,0,0]=4 594 B11R0.148 NOCCCCNCCC(=O)O 5fa440e68fe224bdab95dba0009736ef [0,0,0,0,0,0|3,0,0]=3 595 B11R0.148 NOCCCCNCCS(=O)O 2b5d2655e48557630fd19ecae2df3d94 [0,0,0,0,0,0|4,0,0]=4 596 B11R0.148 NOCCNCCCCC(=O)N 79d6510d4108c386accec3bf00f44044 [0,0,0,0,0,0|4,0,0]=4 597 B11R0.148 NOCCNCCOCC(=O)O b3b8d260485aace14f1fef7c06258753 [0,0,0,0,0,0|4,0,0]=4 598 B11R0.148 NOCCOCCNCC(=O)O b92b277f6e42120f998ad68674acfad8 [0,0,0,0,0,0|4,0,0]=4 599 B11R0.148 O=C(O)CCCCCCNCF f40d7d9383d25faaad314796ef21d5fa [0,0,0,0,0,0|2,0,1]=3 600 B11R0.148 O=C(O)CCCCCCNCO bb916ffc83ea8180940d031c988dc3e8 [0,0,0,0,0,0|2,0,1]=3 601 B11R0.148 O=C(O)CCCCCCOCF 34a8de1dbb8755f9b03d4a6b70818343 [0,0,0,0,0,0|2,0,1]=3 602 B11R0.148 O=C(O)CCCCCNCCF 2d0f7bc155a9f9712fc1930088d2f57c [0,0,0,0,0,0|2,0,1]=3 603 B11R0.148 O=C(O)CCCCCNCCI 62e1c302fb46da9866e1e9dc257f5926 [0,0,0,0,0,0|2,0,1]=3 604 B11R0.148 O=C(O)CCCCCNCCO 2f78bb25755cc91c2b83437fc93f8565 [0,0,0,0,0,0|2,0,1]=3 605 B11R0.148 O=C(O)CCCCCNCCS 55708f3b44e02e5d397a9462463fa60e [0,0,0,0,0,0|2,0,1]=3 606 B11R0.148 O=C(O)CCCCCOCCF c4ba4a4cd61bb822bfb7152b22c894c0 [0,0,0,0,0,0|2,0,1]=3 607 B11R0.148 O=C(O)CCCCCOCCS 54daf2b20e1360245c618c055d3b8324 [0,0,0,0,0,0|2,0,1]=3 608 B11R0.148 O=C(O)CCCCNC/C=C/Cl 09b49ab53889815501a3307629eef197 [0,0,0,0,0,0|2,0,1]=3 609 B11R0.148 O=C(O)CCCCNC/C=C\Cl 797cc9ca93591484a80a0460ebf54706 [0,0,0,0,0,0|2,0,1]=3 610 B11R0.148 O=C(O)CCCCNC/C=C\O 47dc84050f8b5898e23101e28c801c4e [0,0,0,0,0,0|2,0,1]=3 611 B11R0.148 O=C(O)CCCCNCCCCl 7dfa60a025efa69ce573a4155dc51275 [0,0,0,0,0,0|2,0,1]=3 612 B11R0.148 O=C(O)CCCCNCCCF cb609b243fe2249daace5aa4fc3d5443 [0,0,0,0,0,0|2,0,1]=3 613 B11R0.148 O=C(O)CCCCNCCCO 9c5f1e63fc23fa4ad8947f4b10a88356 [0,0,0,0,0,0|2,0,1]=3 614 B11R0.148 O=C(O)CCCCNCCCS 63698fa0bee516f1b0a5a6380ce8c8b9 [0,0,0,0,0,0|2,0,1]=3 615 B11R0.148 O=C(O)CCCCOC/C=C/Cl ef15a1abb2dc92a870f475cb78adde57 [0,0,0,0,0,0|2,0,1]=3 616 B11R0.148 O=C(O)CCCCOC/C=C\Cl 83d3ffe29dab5b69e0213bc8661adec5 [0,0,0,0,0,0|2,0,1]=3 617 B11R0.148 O=C(O)CCCCOCC=CCl 5b1efdc7e9c35bc6f2c53d2f6b43a966 [0,0,0,0,0,0|2,0,1]=3 618 B11R0.148 O=C(O)CCCCOCCCF c73ed8d5d070d316525e192103423940 [0,0,0,0,0,0|2,0,1]=3 619 B11R0.148 O=C(O)CCCCOCCCS 5298991ccf9dc6658331de62de34a928 [0,0,0,0,0,0|2,0,1]=3 620 B11R0.148 O=C(O)CCCNCCCCF 827217bc28435a5b55a219e4b41c3d32 [0,0,0,0,0,0|2,0,1]=3 621 B11R0.148 O=C(O)CCCNCCCCO 3332bf77c04e3a57bcdc5c455290d6fd [0,0,0,0,0,0|2,0,1]=3 622 B11R0.148 O=C(O)CCCOCCCCF 3d954790f2241d94083a955977aa19c2 [0,0,0,0,0,0|2,0,1]=3 623 B11R0.148 O=C(O)CCNCCCCCCl d3a821819bcc60410809e4904f0f9898 [0,0,0,0,0,0|2,0,1]=3 624 B11R0.148 O=C(O)CCNCCCCCF 46c6006c92eb32a27375ce34a21f8d22 [0,0,0,0,0,0|2,0,1]=3 625 B11R0.148 O=C(O)CCNCCCCCO 5a39465ff3cd1d7a23960289cd66f619 [0,0,0,0,0,0|2,0,1]=3 626 B11R0.148 O=C(O)CCNCCOCCO e67aea402c132c1738b6916d17670ba0 [0,0,0,0,0,0|3,0,1]=4 627 B11R0.148 O=C(O)CCNCCOCCS 340d291ebde623e06f5960d9a83ab9a9 [0,0,0,0,0,0|3,0,1]=4 628 B11R0.148 O=C(O)CCNCCSCCO 03b9cfb4968de8b67266a0bea3615534 [0,0,0,0,0,0|3,0,1]=4 629 B11R0.148 O=C(O)CCOCCCCCF fabc09b462bdbb3b3613f7ec1f025c51 [0,0,0,0,0,0|2,0,1]=3 630 B11R0.148 O=C(O)CCOCCNCCBr 3ebada56a67a101ed971a67aa6c02876 [0,0,0,0,0,0|3,0,1]=4 631 B11R0.148 O=C(O)CCOCCNCCF 919b57381aa0ad162a070e908000ec8f [0,0,0,0,0,0|3,0,1]=4 632 B11R0.148 O=C(O)CCOCCNCCI 6168bf853909f1d16f0f00368121f105 [0,0,0,0,0,0|3,0,1]=4 633 B11R0.148 O=C(O)CCOCCNCCO b1c2f8d9b609321807385e688471df72 [0,0,0,0,0,0|3,0,1]=4 634 B11R0.148 O=C(O)CCOCCNCCS 0eaaee8eeded787894f11a9f985c4367 [0,0,0,0,0,0|3,0,1]=4 635 B11R0.148 O=C(O)CCOCCOCCF 9375477ec897fd524f828cf01c9b7d29 [0,0,0,0,0,0|3,0,1]=4 636 B11R0.148 O=C(O)CCOCCOCCS 5e23a0ad0f56a017429ecf28dcaae411 [0,0,0,0,0,0|3,0,1]=4 637 B11R0.148 O=C(O)CNCCCCCCCl dc32a566986ba7b34107464790e296cc [0,0,0,0,0,0|2,0,1]=3 638 B11R0.148 O=C(O)CNCCCCCCF bce3f1514075f3d2f8204865ec56aef1 [0,0,0,0,0,0|2,0,1]=3 639 B11R0.148 O=C(O)CNCCCCCCO d2379b6809e52a0c5093502cf3d19ff8 [0,0,0,0,0,0|2,0,1]=3 640 B11R0.148 O=C(O)CNCCCOCCO b3ede148a850227f5226acf871ac1005 [0,0,0,0,0,0|3,0,1]=4 641 B11R0.148 O=C(O)CNCCOCCCO 739078e7a2efb6ef3daf1f3632ad3500 [0,0,0,0,0,0|3,0,1]=4 642 B11R0.148 O=C(O)COCCCCCCF 225eb71627e39626696c7d9cbf9693d6 [0,0,0,0,0,0|2,0,1]=3 643 B11R0.148 O=C(O)COCCCCCCS af996bea4ab4a7edbee11c3b6236257b [0,0,0,0,0,0|2,0,1]=3 644 B11R0.148 O=C(O)COCCCNCCF 8b32e92fa02e7242998c345f7a977b41 [0,0,0,0,0,0|3,0,1]=4 645 B11R0.148 O=C(O)COCCCNCCI 712e53ef936b52358253288a841bd35d [0,0,0,0,0,0|3,0,1]=4 646 B11R0.148 O=C(O)COCCCNCCO af1363412898dd45b2ef47663e6192cf [0,0,0,0,0,0|3,0,1]=4 647 B11R0.148 O=C(O)COCCCNCCS 75e753fe6eb66622fce8a4f43e0e88a7 [0,0,0,0,0,0|3,0,1]=4 648 B11R0.148 O=C(O)COCCCOCCS 93d40af58ed169db3870b4f7730ba2c7 [0,0,0,0,0,0|3,0,1]=4 649 B11R0.148 O=C(O)COCCNC/C=C/Cl e3770b0316d2e7f44eb5892c305134cb [0,0,0,0,0,0|3,0,1]=4 650 B11R0.148 O=C(O)COCCNC/C=C\Cl 9a88bfbf91dc906b7e0972008dcf71df [0,0,0,0,0,0|3,0,1]=4 651 B11R0.148 O=C(O)COCCNC/C=C\O 6def372608bf9be5ac05a2baa410d1bb [0,0,0,0,0,0|3,0,1]=4 652 B11R0.148 O=C(O)COCCNCCCCl 0806cac4bce43ac96d21219078edc296 [0,0,0,0,0,0|3,0,1]=4 653 B11R0.148 O=C(O)COCCNCCCF 1b98c3a1b95cab12948cdd38711999fc [0,0,0,0,0,0|3,0,1]=4 654 B11R0.148 O=C(O)COCCNCCCO ae2b3b43085ac55fbf99ff7706bf9066 [0,0,0,0,0,0|3,0,1]=4 655 B11R0.148 O=C(O)COCCNCCCS 02ff7e96a3b0b949f29b9f959d11b4d2 [0,0,0,0,0,0|3,0,1]=4 656 B11R0.148 O=C(O)COCCOC/C=C/Cl 5dc655f9f1e44c5e300bfa8bed8f151e [0,0,0,0,0,0|3,0,1]=4 657 B11R0.148 O=C(O)COCCOC/C=C\Cl 16c9520b0ad0b383163e5802e4593ef5 [0,0,0,0,0,0|3,0,1]=4 658 B11R0.148 O=C(O)COCCOCC=CCl 05656918828bcb7f34cf518ce25ddafb [0,0,0,0,0,0|3,0,1]=4 659 B11R0.148 O=C(O)COCCOCCCF 0e1756a03a0e777e09c442bd8440f846 [0,0,0,0,0,0|3,0,1]=4 660 B11R0.148 O=C(O)COCCOCCCS 462b0a7ebd80bf497aa7b81df9206aad [0,0,0,0,0,0|3,0,1]=4 661 B11R0.148 O=C(O)CSCCNC/C=C/Cl 1ca74dd55d89e607aa95d22938b81228 [0,0,0,0,0,0|3,0,1]=4 662 B11R0.148 O=C(O)CSCCNC/C=C\Cl 2cbe22378b09a26aacf5ef7e1e282722 [0,0,0,0,0,0|3,0,1]=4 663 B11R0.148 O=C(O)CSCCNC/C=C\O d6a6b6526b1857367c3be77684ce598a [0,0,0,0,0,0|3,0,1]=4 664 B11R0.148 O=C(O)CSCCNCCCF d256aabf54971962af9cee6fb1bcb1f1 [0,0,0,0,0,0|3,0,1]=4 665 B11R0.148 O=C(O)CSCCNCCCO 27ff6d16ed398227bf4781815176da87 [0,0,0,0,0,0|3,0,1]=4 666 B11R0.148 O=C/C=C/COCCCC(=O)O 6472b9f9f1aeac12077781f1e516e94e [0,0,0,0,0,0|2,0,2]=4 667 B11R0.148 O=CCCCCCNCC(=O)O 770cfb45a4f6bd8217e387ab818b844e [0,0,0,0,0,0|2,0,0]=2 668 B11R0.148 O=CCCCCCOCC(=O)O 11458482d4179b8ff5974303f3937114 [0,0,0,0,0,0|2,0,0]=2 669 B11R0.148 O=CCCCCCOCS(=O)O b4847dc4f0ee57be3dcb30893570d251 [0,0,0,0,0,0|3,0,0]=3 670 B11R0.148 O=CCCCCNCCC(=O)O e79be6fb280c5d57d6d66f768499e566 [0,0,0,0,0,0|2,0,0]=2 671 B11R0.148 O=CCCCCNCCS(=O)O ec0a5aff06f2c67cf4b2a05cb2d1957f [0,0,0,0,0,0|3,0,0]=3 672 B11R0.148 O=CCCCCOCCC(=O)O fdbc1756579c13345d821e1a19a305b1 [0,0,0,0,0,0|2,0,0]=2 673 B11R0.148 O=CCCCCOCC[N+](=O)[O-] 8c6071f58e239661edc873360e7aa678 [0,0,0,0,0,0|3,0,1]=4 674 B11R0.148 O=CCCCNC/C=C/C(=O)O 3d293d6dfece3ea0e9341161b8e4c28f [0,0,0,0,0,0|2,0,2]=4 675 B11R0.148 O=CCCCNCC#CC(=O)O 9444d0928715736fa84da667f442063d [0,0,0,0,0,0|2,0,2]=4 676 B11R0.148 O=CCCCNCC=CC(=O)O b751b1f90cbc35d378982e0202b1f9f2 [0,0,0,0,0,0|2,0,2]=4 677 B11R0.148 O=CCCCNCCCC(=O)O 9327c00549b9f681b42fa156980a20cf [0,0,0,0,0,0|2,0,0]=2 678 B11R0.148 O=CCCCOC/C=C/C(=O)O 12e23bf5cb61892ae5d6ecb123ff4878 [0,0,0,0,0,0|2,0,2]=4 679 B11R0.148 O=CCCCOCC#CC(=O)O 44458330f9465f52d740c55bf1ea841d [0,0,0,0,0,0|2,0,2]=4 680 B11R0.148 O=CCCCOCC=CC(=O)O 0f3820247b92515d10a37ebe317ec296 [0,0,0,0,0,0|2,0,2]=4 681 B11R0.148 O=CCCCOCCCC(=O)O 9032481d7e21bbaef13ead97e986dff0 [0,0,0,0,0,0|2,0,0]=2 682 B11R0.148 O=CCCCOCCC[N+](=O)[O-] 9bb43ff99fe998ec36825de594dfac03 [0,0,0,0,0,0|3,0,1]=4 683 B11R0.148 O=CCCNCCCCC(=O)O abe7ef8e1e977ff781ddd8220eda3a7e [0,0,0,0,0,0|2,0,0]=2 684 B11R0.148 O=CCCNCCOCC(=O)O 1603ea819c4a4e0aff9495d6b9dd8433 [0,0,0,0,0,0|3,0,0]=3 685 B11R0.148 O=CCCNCCSCC(=O)O b48f7a83d726cc4813e580b76f666663 [0,0,0,0,0,0|3,0,0]=3 686 B11R0.148 O=CCCOCCC#CC(=O)O b71b58011cc1bb4c18b7cfb334df8781 [0,0,0,0,0,0|2,0,2]=4 687 B11R0.148 O=CCCOCCCCC(=O)O b7f88f2cd478c0d77a46e19b7c287aa0 [0,0,0,0,0,0|2,0,0]=2 688 B11R0.148 O=CCCOCCCC[N+](=O)[O-] c3e6e70d7f62dab287f0f1522d4061a3 [0,0,0,0,0,0|3,0,1]=4 689 B11R0.148 O=CCCOCCOCC(=O)O 1ddfe834a8c5223e38f7bd0974b43703 [0,0,0,0,0,0|3,0,0]=3 690 B11R0.148 O=CCNCCCCCC(=O)O 2bc04200c99baf32b1ec80562574b58a [0,0,0,0,0,0|2,0,0]=2 691 B11R0.148 O=CCNCCOCCC(=O)O c53334802448afc1826cfde9a3cbe5ab [0,0,0,0,0,0|3,0,0]=3 692 B11R0.148 O=CCOCCCCCC(=O)O 4d6d28a8ec6f3d1dcc55ef7f71afa697 [0,0,0,0,0,0|2,0,0]=2 693 B11R0.148 O=CCOCCNCCC(=O)O 35f457d2933876997f7b9c5cae9c8ffa [0,0,0,0,0,0|3,0,0]=3 694 B11R0.148 O=CCOCCNCCS(=O)O 67210367b6e9655245bb103b8ec45cd2 [0,0,0,0,0,0|4,0,0]=4 695 B11R0.148 O=CCOCCOCCC(=O)O 22951b638d14ddba9463c21e4350db41 [0,0,0,0,0,0|3,0,0]=3 696 B11R0.148 O=CNCCOCCCC(=O)O 2d917cf6349b13cda36888f2bd0d7ac1 [0,0,0,0,0,0|3,0,0]=3 697 B11R0.148 O=COCCOCCCC(=O)O 954950e8edda00faa01cde9e8b28443e [0,0,0,0,0,0|3,0,0]=3 698 B11R0.148 O=S(O)CCNCCCCCF e366fcf006af824b57068d8d8720cc9a [0,0,0,0,0,0|3,0,1]=4 699 B11R0.148 O=S(O)CCNCCCCCO ce73a3e48c3c84c138670f327c38ec51 [0,0,0,0,0,0|3,0,1]=4 700 B11R0.148 O=S(O)COCCCCCCF 4e5af757d78c76381154134f13443755 [0,0,0,0,0,0|3,0,1]=4 701 B10R0.4 C#CCCCCNCC(=O)O 053e69494a1edfe88d9aa7bec3f3ce0a [1,0,0,0,0,0|1,0,2]=4 702 B10R0.4 C#CCCCCOCC(=O)O 754c0ff3e6f0bdb78989a7e7ae9e5b08 [1,0,0,0,0,0|1,0,2]=4 703 B10R0.4 C#CCCCNCCC(=O)O b7ca33d5b8e1f01455f5334a9261cdbe [1,0,0,0,0,0|1,0,2]=4 704 B10R0.4 C#CCCCOCCC(=O)O 0ad612bc2c2aebc206c6422ad51aca36 [1,0,0,0,0,0|1,0,2]=4 705 B10R0.4 C#CCCNCCCC(=O)O 98b54ed437e79d33704ab26e28ebc0dd [1,0,0,0,0,0|1,0,2]=4 706 B10R0.4 C#CCCOCCCC(=O)O a28174cefe569d9e990ac22fc9d3ad0e [1,0,0,0,0,0|1,0,2]=4 707 B10R0.4 C#CCNCCCCC(=O)O cfecfb6de6c4c4009e0973474be74f6b [1,0,0,0,0,0|1,0,2]=4 708 B10R0.4 C#CCOCCCCC(=O)O c227e22f1b2409fb86f11b652a50036a [1,0,0,0,0,0|1,0,2]=4 709 B10R0.4 C/C=C/CCCOCC(=O)O 7432494e77d961fe0bec79b7d3fd9b8c [1,0,0,0,0,0|1,0,2]=4 710 B10R0.4 C/C=C/CCOCCC(=O)O 916eacd333d21908cf84f63720010dfe [1,0,0,0,0,0|1,0,2]=4 711 B10R0.4 C/C=C/CNCCCC(=O)O 13ef2ccb4733ce0119a0b85ad92302d4 [1,0,0,0,0,0|1,0,2]=4 712 B10R0.4 C/C=C/COCCCC(=O)O 797b589f4ff59b345d64adc4a9453f4d [1,0,0,0,0,0|1,0,2]=4 713 B10R0.4 C/C=C\CCCNCC(=O)O e1e9e131b6177d66418d3e1789832edd [1,0,0,0,0,0|1,0,2]=4 714 B10R0.4 C/C=C\CCCOCC(=O)O a10f8b8bf03efd0d18a4f726108b2616 [1,0,0,0,0,0|1,0,2]=4 715 B10R0.4 C/C=C\CNCCCC(=O)O 5654bb2e955ab88d7e5c4af35c7daf9b [1,0,0,0,0,0|1,0,2]=4 716 B10R0.4 C/C=C\COCCCC(=O)O 7adc08223c1d3f0b55e4c481022d842b [1,0,0,0,0,0|1,0,2]=4 717 B10R0.4 C=C/C=C/CCNCC(=O)O 698c6968904a1d9d4ea2bc98b0edcbc8 [1,0,0,0,0,0|1,0,2]=4 718 B10R0.4 C=C=CCCOCCC(=O)O 36731dea7a47ff84487187a5cdba8dcc [1,0,0,0,0,0|1,0,2]=4 719 B10R0.4 C=CCCCCCNC(=O)C f02f227ef07d7627d48ebb8926ddb9fe [1,0,0,0,0,0|2,0,0]=3 720 B10R0.4 C=CCCCCNCC(=C)Br a8579afce8935a346544fe130860f4cc [1,0,0,0,0,0|3,0,0]=4 721 B10R0.4 C=CCCCCNCC(=C)C 95296f48ce65fb435f93657962ab8ea5 [1,0,0,0,0,0|3,0,0]=4 722 B10R0.4 C=CCCCCNCC(=C)Cl 6c8d82a1986d25194eb8e54fb0f13f99 [1,0,0,0,0,0|3,0,0]=4 723 B10R0.4 C=CCCCCNCC(=C)F d1b0049207fe56f756c170be7509e494 [1,0,0,0,0,0|3,0,0]=4 724 B10R0.4 C=CCCCCNCC(=O)C d4656945f366a9d0818e9e76353daf2b [1,0,0,0,0,0|2,0,0]=3 725 B10R0.4 C=CCCCCNCC(=O)N 1a4b2a13fe51dd21b0f488561910ca90 [1,0,0,0,0,0|2,0,0]=3 726 B10R0.4 C=CCCCCNCC(=O)O 0a5c0aa41b8a418ca63d9c52b3af9bba [1,0,0,0,0,0|1,0,0]=2 727 B10R0.4 C=CCCCCNCC(C)O 2e1199e38a10fb414efe9bfb0d6d755d [1,0,0,0,0,0|2,0,1]=4 728 B10R0.4 C=CCCCCNC[C@@H](C)O 2e3a337f6f68f0b08366ca477dff1d27 [1,0,0,0,0,0|2,0,1]=4 729 B10R0.4 C=CCCCCNC[C@H](C)O 6bdff9aa00d133d5185364b19ee91bd3 [1,0,0,0,0,0|2,0,1]=4 730 B10R0.4 C=CCCCCNC[N+](=O)[O-] 4548197d158717a3484d41a9f6c80696 [1,0,0,0,0,0|2,0,1]=4 731 B10R0.4 C=CCCCCOCC(=C)Br 4725afcfab1c0e9885b8c9333b48e6cb [1,0,0,0,0,0|3,0,0]=4 732 B10R0.4 C=CCCCCOCC(=C)C 7dfb9fdaf269a41dcb58615dee980a84 [1,0,0,0,0,0|3,0,0]=4 733 B10R0.4 C=CCCCCOCC(=C)Cl 3747e7c3d65a6f0b23fcd03fbc90b43c [1,0,0,0,0,0|3,0,0]=4 734 B10R0.4 C=CCCCCOCC(=C)F 6737cd6fc9e131371c8d7e6bf7c7b094 [1,0,0,0,0,0|3,0,0]=4 735 B10R0.4 C=CCCCCOCC(=C)I b1ad80df6a3963788c295532aa73567d [1,0,0,0,0,0|3,0,0]=4 736 B10R0.4 C=CCCCCOCC(=O)C 48cbf00be7eed401858778b40eb31e38 [1,0,0,0,0,0|2,0,0]=3 737 B10R0.4 C=CCCCCOCC(=O)N 398c2f7e4b30af79a0a22e202b5b8d3d [1,0,0,0,0,0|2,0,0]=3 738 B10R0.4 C=CCCCCOCC(=O)O cb2fa521222587e3021c2fae70958356 [1,0,0,0,0,0|1,0,0]=2 739 B10R0.4 C=CCCCCOCC(=S)N 41b00eb0e5570c7695093d654f17679d [1,0,0,0,0,0|2,1,0]=4 740 B10R0.4 C=CCCCCOCS(=O)O 70aa1b304b309a3ea35cf440f48ffe99 [1,0,0,0,0,0|2,0,0]=3 741 B10R0.4 C=CCCCCOC[N+](=O)[O-] 87110949379ea5fb53992d4ce118a34b [1,0,0,0,0,0|2,0,1]=4 742 B10R0.4 C=CCCCNCCC(=C)C ff18e808ebb56fd95482968fc099d472 [1,0,0,0,0,0|3,0,0]=4 743 B10R0.4 C=CCCCNCCC(=O)C c0610930b81d09a23b99259d385a8e1c [1,0,0,0,0,0|2,0,0]=3 744 B10R0.4 C=CCCCNCCC(=O)N 2321c22d4742d69fef5771a0d5289a21 [1,0,0,0,0,0|2,0,0]=3 745 B10R0.4 C=CCCCNCCC(=O)O 92047546031e5472718936e8674175a4 [1,0,0,0,0,0|1,0,0]=2 746 B10R0.4 C=CCCCNCCC(=S)N 5e7524e7c71bbb987536f4714254d4dc [1,0,0,0,0,0|2,1,0]=4 747 B10R0.4 C=CCCCNCCC(C)O e8bc08af6c121e2da8cb6fdb92c90759 [1,0,0,0,0,0|2,0,1]=4 748 B10R0.4 C=CCCCNCCS(=O)C a873b9d9d39bc0fc8bf014effb3cd2ba [1,0,0,0,0,0|3,0,0]=4 749 B10R0.4 C=CCCCNCCS(=O)O 6cc54ffdc22e6126d21d6b980b47c274 [1,0,0,0,0,0|2,0,0]=3 750 B10R0.4 C=CCCCNCC[C@@H](C)O bccdf8bcf4a2299feb282b3afb3a1dca [1,0,0,0,0,0|2,0,1]=4 751 B10R0.4 C=CCCCNCC[C@H](C)O de3500b79a77b9846290d1b0dfa6333e [1,0,0,0,0,0|2,0,1]=4 752 B10R0.4 C=CCCCNCOC(=O)C a54ead892571f6e864bf6033219ba89e [1,0,0,0,0,0|3,0,0]=4 753 B10R0.4 C=CCCCNCSC(=O)N 57ed177eedf5b305f78566ee3e89e2c6 [1,0,0,0,0,0|3,0,0]=4 754 B10R0.4 C=CCCCOCCC(=C)Br 64015c26728549a080ab866de868385d [1,0,0,0,0,0|3,0,0]=4 755 B10R0.4 C=CCCCOCCC(=C)C 6c3a8f87b290a4166d12b8a787bad5de [1,0,0,0,0,0|3,0,0]=4 756 B10R0.4 C=CCCCOCCC(=O)C aaf7df9ced6c1e3654d79565c7674c5e [1,0,0,0,0,0|2,0,0]=3 757 B10R0.4 C=CCCCOCCC(=O)N f2f5178d09e5116ba56522a7dee24d30 [1,0,0,0,0,0|2,0,0]=3 758 B10R0.4 C=CCCCOCCC(=O)O 6737b7acf8edcb773be3c12c9590a3b5 [1,0,0,0,0,0|1,0,0]=2 759 B10R0.4 C=CCCCOCCS(=O)C 2158e377773dccdcc8aa8e6d421f9057 [1,0,0,0,0,0|3,0,0]=4 760 B10R0.4 C=CCCCOCC[N+](=O)[O-] e53e0534c1096ab8253b419dc89d0bf0 [1,0,0,0,0,0|2,0,1]=4 761 B10R0.4 C=CCCCOCNC(=O)C 47bbb58d83a29ee1ffffe91533d403e7 [1,0,0,0,0,0|3,0,0]=4 762 B10R0.4 C=CCCCOCNC(=O)N 8eeb6158ba17ae26f75e32a38f05cea6 [1,0,0,0,0,0|3,0,0]=4 763 B10R0.4 C=CCCCOCOC(=O)C 3181edc94e8bce135f6a5373114528c1 [1,0,0,0,0,0|3,0,0]=4 764 B10R0.4 C=CCCCOCSC(=O)N 2d1dc136ed5b9ed7ce30c6ba14fd05f5 [1,0,0,0,0,0|3,0,0]=4 765 B10R0.4 C=CCCNC/C=C/C(=O)O 0ce8299bcba3d55dfa58287dcb1b5e18 [1,0,0,0,0,0|1,0,2]=4 766 B10R0.4 C=CCCNCC#CC(=O)O a0af9afa0f1dc30562cb135773773082 [1,0,0,0,0,0|1,0,2]=4 767 B10R0.4 C=CCCNCC=CC(=O)O 4b4b34f4734d27de6f7b413960c8cf4b [1,0,0,0,0,0|1,0,2]=4 768 B10R0.4 C=CCCNCCCC(=C)C 955f7a90e92e5ddee5c3df662c3f03c5 [1,0,0,0,0,0|3,0,0]=4 769 B10R0.4 C=CCCNCCCC(=O)C 17e970d0c5824e2b028f94e526110965 [1,0,0,0,0,0|2,0,0]=3 770 B10R0.4 C=CCCNCCCC(=O)N eeb61d95d8598c914690c6e0191f8ac4 [1,0,0,0,0,0|2,0,0]=3 771 B10R0.4 C=CCCNCCCC(=O)O da3b42b51cbf87e7b2494d17b8ac7f6f [1,0,0,0,0,0|1,0,0]=2 772 B10R0.4 C=CCCNCCCC(C)O bc6faf9448115bb6b6ccb490e676e5bf [1,0,0,0,0,0|2,0,1]=4 773 B10R0.4 C=CCCNCCCS(=O)C ac675d74f0d7cd5df7c1c7fb7b3f9d0d [1,0,0,0,0,0|3,0,0]=4 774 B10R0.4 C=CCCNCCC[N+](=O)[O-] 956424955d756e90c138aca73e9e412b [1,0,0,0,0,0|2,0,1]=4 775 B10R0.4 C=CCCNCCNC(=O)C 5825e61a3448c21e29f7503624e8833a [1,0,0,0,0,0|3,0,0]=4 776 B10R0.4 C=CCCNCCNC(=O)N fe77281ce857f7a825a14e66082e86ac [1,0,0,0,0,0|3,0,0]=4 777 B10R0.4 C=CCCNCCOC(=O)C ce6c2bb63cbf34eb0b297276ed4f3a00 [1,0,0,0,0,0|3,0,0]=4 778 B10R0.4 C=CCCNCCSC(=O)C fe32b65a802595513c6a4179acbaf0d0 [1,0,0,0,0,0|3,0,0]=4 779 B10R0.4 C=CCCOC/C=C/C(=O)O d4e7ebabd9d174ae70dcc3a6643469bb [1,0,0,0,0,0|1,0,2]=4 780 B10R0.4 C=CCCOCC#CC(=O)O 7d43fb86414b13af1b27f9428d83bc07 [1,0,0,0,0,0|1,0,2]=4 781 B10R0.4 C=CCCOCC=CC(=O)O 7bd1366b2591f6209e78b61d6f057c32 [1,0,0,0,0,0|1,0,2]=4 782 B10R0.4 C=CCCOCCCC(=C)C 2bc506b73205a6cba041a3cf60dc7a82 [1,0,0,0,0,0|3,0,0]=4 783 B10R0.4 C=CCCOCCCC(=O)C 7747672577a9f8f405d52d673530b99e [1,0,0,0,0,0|2,0,0]=3 784 B10R0.4 C=CCCOCCCC(=O)N 1e2c01c23afc956b32c4c25db19ab031 [1,0,0,0,0,0|2,0,0]=3 785 B10R0.4 C=CCCOCCCC(=O)O 43c029708142e3a5ef8331e455444c11 [1,0,0,0,0,0|1,0,0]=2 786 B10R0.4 C=CCCOCCC[N+](=O)[O-] dfc6bb67476c1290b41670c28ba8697a [1,0,0,0,0,0|2,0,1]=4 787 B10R0.4 C=CCCOCCNC(=O)C d0de82dc2dbaaed500ed4ae98cecdd04 [1,0,0,0,0,0|3,0,0]=4 788 B10R0.4 C=CCCOCCNC(=O)N 0a0ab970a6f2b66d5e2a10e727cd851d [1,0,0,0,0,0|3,0,0]=4 789 B10R0.4 C=CCCOCCOC(=O)C 4112be8f1d3e2ad08c9d84e002955d25 [1,0,0,0,0,0|3,0,0]=4 790 B10R0.4 C=CCCOCCSC(=O)C 9bce2e33a0c87e4c05e0b799cf403b95 [1,0,0,0,0,0|3,0,0]=4 791 B10R0.4 C=CCNCCCCC(=O)N cb783f6fdc9088c5cf415d48db1fc6ff [1,0,0,0,0,0|2,0,0]=3 792 B10R0.4 C=CCNCCCCC(=O)O 40e4988a260bae226de0ef694170aaa0 [1,0,0,0,0,0|1,0,0]=2 793 B10R0.4 C=CCNCCCNC(=O)C c570f16ed22b32af6a4d4e86dafe95ca [1,0,0,0,0,0|3,0,0]=4 794 B10R0.4 C=CCNCCOCC(=O)O 69dc3a167188cafc46debe9b8b8de67d [1,0,0,0,0,0|2,0,0]=3 795 B10R0.4 C=CCNCCSCC(=O)O f2eab477636613d4509f21d58250a374 [1,0,0,0,0,0|2,0,0]=3 796 B10R0.4 C=CCOCCC#CC(=O)O bd03ac6fd32801821e7025c90c787824 [1,0,0,0,0,0|1,0,2]=4 797 B10R0.4 C=CCOCCCCC(=O)C 3d3614bec0a8b097e6d7599d14730099 [1,0,0,0,0,0|2,0,0]=3 798 B10R0.4 C=CCOCCCCC(=O)N 632ba5f07a37fd06fa7ceab73e42b50d [1,0,0,0,0,0|2,0,0]=3 799 B10R0.4 C=CCOCCCCC(=O)O fb29bee7adeaeb4edbb2783380a11af9 [1,0,0,0,0,0|1,0,0]=2 800 B10R0.4 C=CCOCCCC[N+](=O)[O-] 7f156f181a13120154a154ab5243c5e6 [1,0,0,0,0,0|2,0,1]=4 801 B10R0.4 C=CCOCCCNC(=O)C 696e5c5e8a0473614afd73bb7a57647b [1,0,0,0,0,0|3,0,0]=4 802 B10R0.4 C=CCOCCCOC(=O)C 3445d02165d0afe4f532f9d41053c42f [1,0,0,0,0,0|3,0,0]=4 803 B10R0.4 C=CCOCCCSC(=O)C da7871feb3287b70ce6d4796620f0c01 [1,0,0,0,0,0|3,0,0]=4 804 B10R0.4 C=CCOCCNCC(=O)C 8d65b09f0b4d7871ec0aa068b0c276c7 [1,0,0,0,0,0|3,0,0]=4 805 B10R0.4 C=CCOCCNCC(=O)N 0a3587507f91e52b7550b5d3c9d3192b [1,0,0,0,0,0|3,0,0]=4 806 B10R0.4 C=CCOCCNCC(=O)O 30b9a1bd2936ecd3590b92335bf1791f [1,0,0,0,0,0|2,0,0]=3 807 B10R0.4 C=CCOCCOCC(=O)C 813164ec7989bf6a4d34b30d54f02994 [1,0,0,0,0,0|3,0,0]=4 808 B10R0.4 C=CCOCCOCC(=O)N e577312d1e9233ed2ca319137ddd309e [1,0,0,0,0,0|3,0,0]=4 809 B10R0.4 C=CCOCCOCC(=O)O 57740fa1672a42170578f3c0922a012f [1,0,0,0,0,0|2,0,0]=3 810 B10R0.4 C=CCOCCOCS(=O)O df0d2cd85b75ce1c99af6799d6bfba9c [1,0,0,0,0,0|3,0,0]=4 811 B10R0.4 C=CCOCCSCC(=O)N 14b7a9731b2f998a658e4ef64054ebbb [1,0,0,0,0,0|3,0,0]=4 812 B10R0.4 C=COCCCNCC(=O)N 4471bac15b1f97f9225d7e49a2d76f36 [1,0,0,0,0,0|3,0,0]=4 813 B10R0.4 C=COCCCNCC(=O)O 5d76324bb7dc51ab853b002fc2a3b8bf [1,0,0,0,0,0|2,0,0]=3 814 B10R0.4 C=COCCNCCC(=O)C c5eeea5b12d9a5cae9d3b4d25881692a [1,0,0,0,0,0|3,0,0]=4 815 B10R0.4 C=COCCNCCC(=O)N 1e9324c87467e5e4cf460fdf1f1ed110 [1,0,0,0,0,0|3,0,0]=4 816 B10R0.4 C=COCCNCCC(=O)O 36edd71ad946eb97f575abde17f7e86c [1,0,0,0,0,0|2,0,0]=3 817 B10R0.4 C=COCCOCCC(=O)C 629c0abb62956ef3f770b13d59df11f6 [1,0,0,0,0,0|3,0,0]=4 818 B10R0.4 C=COCCOCCC(=O)N 51e6a58f7f86d4ed26173be6082c84ca [1,0,0,0,0,0|3,0,0]=4 819 B10R0.4 C=COCCOCCC(=O)O 5e162282a9957b55e148c12efa4a80e5 [1,0,0,0,0,0|2,0,0]=3 820 B10R0.4 CC(=O)CCCCNCCBr f3ddce1f9a1062cede3a27a1b630ea15 [1,0,0,0,0,0|3,0,0]=4 821 B10R0.4 CC(=O)CCCCNCCF 8711dcf185e3a6f218d23593dbe2fb8a [1,0,0,0,0,0|3,0,0]=4 822 B10R0.4 CC(=O)CCCCNCCI 0f0054e4955e683ecb2e2ae5c2bd1b57 [1,0,0,0,0,0|3,0,0]=4 823 B10R0.4 CC(=O)CCCCNCCO 6335f44acfc8ae8a1c74a2effeffdaa9 [1,0,0,0,0,0|3,0,0]=4 824 B10R0.4 CC(=O)CCCCNCCS 9086c15c5cb71c0d777519e498536740 [1,0,0,0,0,0|3,0,0]=4 825 B10R0.4 CC(=O)CCCCOCC=O 2df6a73c930107619b2607a0e979711f [1,0,0,0,0,0|3,0,0]=4 826 B10R0.4 CC(=O)CCCCOCCF 0c6e1aa2ddd2547de23cc588f8d80289 [1,0,0,0,0,0|3,0,0]=4 827 B10R0.4 CC(=O)CCCCOCCS ac88dd646f017b673d2dbc45961aa74f [1,0,0,0,0,0|3,0,0]=4 828 B10R0.4 CC(=O)CCCNCCCCl f1625dacee073cbb4f019dbe32494f50 [1,0,0,0,0,0|3,0,0]=4 829 B10R0.4 CC(=O)CCCNCCCO 8b11019ccb106855d75ac6c8c4c3fe63 [1,0,0,0,0,0|3,0,0]=4 830 B10R0.4 CC(=O)CCCOCCC=O 03837868c30ee241350d840ba60401f3 [1,0,0,0,0,0|3,0,0]=4 831 B10R0.4 CC(=O)CCCOCCCF e44a9d620794f28a8e038989a8cb2ae7 [1,0,0,0,0,0|3,0,0]=4 832 B10R0.4 CC(=O)CCCOCCCS 224ce1d62cb0cc546747e7754a42aa6c [1,0,0,0,0,0|3,0,0]=4 833 B10R0.4 CC(=O)CCNCCCCCl e92127d9f4fec06f947ca88e6cf4a50b [1,0,0,0,0,0|3,0,0]=4 834 B10R0.4 CC(=O)CCNCCCCO 9f6c569b44bc6c4cbc16c08a781c9532 [1,0,0,0,0,0|3,0,0]=4 835 B10R0.4 CC(=O)CCNCCCCS e5b279c159671291cf92ca332011d729 [1,0,0,0,0,0|3,0,0]=4 836 B10R0.4 CC(=O)CCOCCCC=O 9149a1f574a0cb9767d812b54caf8a48 [1,0,0,0,0,0|3,0,0]=4 837 B10R0.4 CC(=O)CCOCCCCF ef2acd71a360f46e90e912d973dfe5aa [1,0,0,0,0,0|3,0,0]=4 838 B10R0.4 CC(=O)CCOCCCCS 64f0dae486fcb36ef0baae73a313556f [1,0,0,0,0,0|3,0,0]=4 839 B10R0.4 CC(=O)CNCCCCC=O 49629e63e0c1345e1b84ffb393898803 [1,0,0,0,0,0|3,0,0]=4 840 B10R0.4 CC(=O)CNCCCCCF 14ed717f1f055fc3ffebcb0f3bb7f6ab [1,0,0,0,0,0|3,0,0]=4 841 B10R0.4 CC(=O)CNCCCCCO 64da7cdb6d2a9c33dc01f9b5a780e4d4 [1,0,0,0,0,0|3,0,0]=4 842 B10R0.4 CC(=O)COCCCCC=O 0cd5ef4918e08b4005cacaed0a9bf732 [1,0,0,0,0,0|3,0,0]=4 843 B10R0.4 CC(=O)COCCCCCF 7aec6ce84a2c3f216e8ae40d950f6334 [1,0,0,0,0,0|3,0,0]=4 844 B10R0.4 CC(=O)NCCCCCCCl f93e4eee74ea26870e48ebdfc4f07177 [1,0,0,0,0,0|3,0,0]=4 845 B10R0.4 CC(=O)NCCCCCCO f4c6533638e4e2bcf3850e47e46df271 [1,0,0,0,0,0|3,0,0]=4 846 B10R0.4 CC=CCCCOCC(=O)O eb02a0583e7477549f7236d3495e3904 [1,0,0,0,0,0|1,0,2]=4 847 B10R0.4 CC=CCNCCCC(=O)O 8df01a8428c77adf160d0ed2cf7f78d3 [1,0,0,0,0,0|1,0,2]=4 848 B10R0.4 CC=CCOCCCC(=O)O fe986269b6907663d554820fb9f32f8e [1,0,0,0,0,0|1,0,2]=4 849 B10R0.4 CCCCCCCNC(=O)C 7ff946498704aad8136855c3c0214f94 [1,0,0,0,0,0|2,0,1]=4 850 B10R0.4 CCCCCCNCC(=O)C e3842b8fd2cae14899e78886113beba0 [1,0,0,0,0,0|2,0,1]=4 851 B10R0.4 CCCCCCNCC(=O)N 3fae3fcfcc109d047ed465f3e2b847e2 [1,0,0,0,0,0|2,0,1]=4 852 B10R0.4 CCCCCCNCC(=O)O fb02da52628d24bba2741502ccbc57e6 [1,0,0,0,0,0|1,0,1]=3 853 B10R0.4 CCCCCCOCC(=O)C c622979e72a3edd318802db3f6123eee [1,0,0,0,0,0|2,0,1]=4 854 B10R0.4 CCCCCCOCC(=O)N 9c51cacea528460eb1c6e4fbed6a2905 [1,0,0,0,0,0|2,0,1]=4 855 B10R0.4 CCCCCCOCC(=O)O d5f902343f3fbf5baaa362a21e128151 [1,0,0,0,0,0|1,0,1]=3 856 B10R0.4 CCCCCCOCS(=O)O 2b6780218bd3498af4d92344e34b6465 [1,0,0,0,0,0|2,0,1]=4 857 B10R0.4 CCCCCNCCC(=O)C 2bb7295af3afb64defefb63687bea421 [1,0,0,0,0,0|2,0,1]=4 858 B10R0.4 CCCCCNCCC(=O)N da2ae5cebf00ff2bc6648f8e9deea068 [1,0,0,0,0,0|2,0,1]=4 859 B10R0.4 CCCCCNCCC(=O)O c651e7e992c1332ced5d27852e6267f0 [1,0,0,0,0,0|1,0,1]=3 860 B10R0.4 CCCCCNCCS(=O)O 40a9496c737aacfd55e5b85a03b28772 [1,0,0,0,0,0|2,0,1]=4 861 B10R0.4 CCCCCOCCC(=O)C 7d336bbb7dc5619074d320d9d5eeebd1 [1,0,0,0,0,0|2,0,1]=4 862 B10R0.4 CCCCCOCCC(=O)N 3ccf202c6633a29591d963976a663b22 [1,0,0,0,0,0|2,0,1]=4 863 B10R0.4 CCCCCOCCC(=O)O 183ac3fdf6b059104c4c0237bab12aa8 [1,0,0,0,0,0|1,0,1]=3 864 B10R0.4 CCCCNCCCC(=O)C a2bda33665ed49237506dfdf7a5fb684 [1,0,0,0,0,0|2,0,1]=4 865 B10R0.4 CCCCNCCCC(=O)N 87f3fa3fa2631822b8cd0b48fa13e9d9 [1,0,0,0,0,0|2,0,1]=4 866 B10R0.4 CCCCNCCCC(=O)O 638f7b21d5bd5641b607514c8fb8caf4 [1,0,0,0,0,0|1,0,1]=3 867 B10R0.4 CCCCOCCCC(=O)C f0df1029dafc15690be3f3c094f0ad8e [1,0,0,0,0,0|2,0,1]=4 868 B10R0.4 CCCCOCCCC(=O)N 4bd9e362912f487ea2067ef12f3cd6d1 [1,0,0,0,0,0|2,0,1]=4 869 B10R0.4 CCCCOCNCC(=O)O fd1573ef0e57ade41e912b86193789e2 [1,0,0,0,0,0|2,0,1]=4 870 B10R0.4 CCCCOCOCC(=O)O 44a077c696800f20f8f77d9f489d7e0a [1,0,0,0,0,0|2,0,1]=4 871 B10R0.4 CCCNCCCCC(=O)C ab2c95adbd41ecce6f11ada83f1aa463 [1,0,0,0,0,0|2,0,1]=4 872 B10R0.4 CCCNCCCCC(=O)N e1e10e2e68cec95857cb4c3cfc282eaf [1,0,0,0,0,0|2,0,1]=4 873 B10R0.4 CCCNCCCCC(=O)O d7ced2df62e692539bca6ff33ab8a797 [1,0,0,0,0,0|1,0,1]=3 874 B10R0.4 CCCNCCOCC(=O)O 6a2b5a7e2d583d3c6ba150b8c3cc16e1 [1,0,0,0,0,0|2,0,1]=4 875 B10R0.4 CCCNCCSCC(=O)O 94cff0686c4de2d0110011adc5739807 [1,0,0,0,0,0|2,0,1]=4 876 B10R0.4 CCCOCCCCC(=O)C fd3e516a01dea40bc28ef8e85abe7b9e [1,0,0,0,0,0|2,0,1]=4 877 B10R0.4 CCCOCCCCC(=O)N 40ac037ce19926aee318707e134df4d3 [1,0,0,0,0,0|2,0,1]=4 878 B10R0.4 CCCOCCCCC(=O)O b2ac1b83aca818e80a2df2f954405a9e [1,0,0,0,0,0|1,0,1]=3 879 B10R0.4 CCCOCCNCC(=O)O 9f97370ef19b48f601d53c72298be028 [1,0,0,0,0,0|2,0,1]=4 880 B10R0.4 CCCOCCOCC(=O)O c681b062af673d5355b0c992bcf9a03b [1,0,0,0,0,0|2,0,1]=4 881 B10R0.4 CCCSCCOCC(=O)O f1f74803f7accfdcb460a94fed60dea0 [1,0,0,0,0,0|2,0,1]=4 882 B10R0.4 CCNCCCCCC(=O)N 7e47cb6936cef048a9728be65f4ed153 [1,0,0,0,0,0|2,0,1]=4 883 B10R0.4 CCNCCCCCC(=O)O 656d004177b3de742f8798a032b0925d [1,0,0,0,0,0|1,0,1]=3 884 B10R0.4 CCNCCOCCC(=O)O 8d7e5678fe9a8ff06a1e01887f882b5a [1,0,0,0,0,0|2,0,1]=4 885 B10R0.4 CCOCCCCCC(=O)N 6f015e258b6f4d9a91ad4bf4c5e0b833 [1,0,0,0,0,0|2,0,1]=4 886 B10R0.4 CCOCCCCCC(=O)O 8d0433351c28cc9400e6f6da602a903d [1,0,0,0,0,0|1,0,1]=3 887 B10R0.4 CCOCCCNCC(=O)O 682f6d420ba5c774818f236d90f0fb13 [1,0,0,0,0,0|2,0,1]=4 888 B10R0.4 CCOCCCOCC(=O)O 2de1613f4b1376069d28111d2a4e00b4 [1,0,0,0,0,0|2,0,1]=4 889 B10R0.4 CCOCCNCCC(=O)O ff34e42923fba256fb9a0dd7fcb988eb [1,0,0,0,0,0|2,0,1]=4 890 B10R0.4 CCOCCOCCC(=O)O 96b40bef50a9547a8511d5d75c98b3cd [1,0,0,0,0,0|2,0,1]=4 891 B10R0.4 CCOCNCCCC(=O)O de9a120840675433ed34e7d1ceef9f57 [1,0,0,0,0,0|2,0,1]=4 892 B10R0.4 CCSCCCNCC(=O)O 4844b03ae0e8362029b66cb17ab7da38 [1,0,0,0,0,0|2,0,1]=4 893 B10R0.4 CCSCCCOCC(=O)O 40fb12fd65694580de8c81fcc6657b85 [1,0,0,0,0,0|2,0,1]=4 894 B10R0.4 CCSCCNCCC(=O)O 8a1f405a9850c68a6f54d79446f1ff8f [1,0,0,0,0,0|2,0,1]=4 895 B10R0.4 CCSCCOCCC(=O)O 547cb9bae4885e95f673de9975307679 [1,0,0,0,0,0|2,0,1]=4 896 B10R0.4 COCCCCNCC(=O)O e7016d96fdd719c414f251fdf8041599 [1,0,0,0,0,0|2,0,1]=4 897 B10R0.4 COCCCCOCC(=O)O c66cf56e8604e7dab5e9dc4c5dc31662 [1,0,0,0,0,0|2,0,1]=4 898 B10R0.4 COCCCNCCC(=O)O 5acb8958d3874c29f59ad4b29733fb60 [1,0,0,0,0,0|2,0,1]=4 899 B10R0.4 COCCCOCCC(=O)O d4eb4dab6784cb2fb1076332406f0b6e [1,0,0,0,0,0|2,0,1]=4 900 B10R0.4 COCCNCCCC(=O)O 80c02cc92019d5cbde133d36aaa74f6c [1,0,0,0,0,0|2,0,1]=4 901 B10R0.4 COCCOCCCC(=O)O 72bf5da1d6d66c17ef3fa61bc44b144e [1,0,0,0,0,0|2,0,1]=4 902 B10R0.4 COCNCCCCC(=O)O ab3a9a9d4707dc728acea20d8c742102 [1,0,0,0,0,0|2,0,1]=4 903 B10R0.4 COCOCCCCC(=O)O 1b557b71d3e61c8258a3d16cc8108d48 [1,0,0,0,0,0|2,0,1]=4 904 B10R0.4 CSCCCCNCC(=O)O fe5f17285810fe796abbdf4483e3c94f [1,0,0,0,0,0|2,0,1]=4 905 B10R0.4 CSCCCCOCC(=O)O 6959643b4f26b002ad25adcfb835b476 [1,0,0,0,0,0|2,0,1]=4 906 B10R0.4 CSCCCNCCC(=O)O ebcd26378cbdddef3de03c919f85430a [1,0,0,0,0,0|2,0,1]=4 907 B10R0.4 CSCCCOCCC(=O)O 6b3756b593022d7d702b5e676fa25b5e [1,0,0,0,0,0|2,0,1]=4 908 B10R0.4 CSCCNCCCC(=O)O 984273bed5ff75481a174286557b4f00 [1,0,0,0,0,0|2,0,1]=4 909 B10R0.4 CSCCOCCCC(=O)O 2169ad430e54ba0fc625bece4160068c [1,0,0,0,0,0|2,0,1]=4 910 B10R0.4 CSCNCCCCC(=O)O 5ded596d0e21db27702f9a71836c5d08 [1,0,0,0,0,0|2,0,1]=4 911 B10R0.4 CSCOCCCCC(=O)O 6c17dfeb22841c97ecacc91dd0ab17dc [1,0,0,0,0,0|2,0,1]=4 912 B10R0.4 N#CCCCCNCC(=O)O 35d6d21b615d456356a1e3b53ec5c7fb [1,0,0,0,0,0|2,0,1]=4 913 B10R0.4 N#CCCCCOCC(=O)O 3198be191b9513c8b3d591086f6dd40d [1,0,0,0,0,0|2,0,1]=4 914 B10R0.4 N#CCCCNCCC(=O)O 96c4849221d8ece5f9633beba5cda804 [1,0,0,0,0,0|2,0,1]=4 915 B10R0.4 N#CCCCOCCC(=O)O b9f13f1747e7c2c06328940072fcd095 [1,0,0,0,0,0|2,0,1]=4 916 B10R0.4 N#CCCNCCCC(=O)O 5e132e7a513138323d64283138c29b14 [1,0,0,0,0,0|2,0,1]=4 917 B10R0.4 N#CCCOCCCC(=O)O 90ef89a682d420686cb1b578ace69e00 [1,0,0,0,0,0|2,0,1]=4 918 B10R0.4 N#CCNCCCCC(=O)O 96f5677770d74775f05b9aa85de7855d [1,0,0,0,0,0|2,0,1]=4 919 B10R0.4 N#CCOCCCCC(=O)O 71c8ac6b7e619b724ff1a7cfa4142fb7 [1,0,0,0,0,0|2,0,1]=4 920 B10R0.4 NC(=O)CCCCCNC=O 4ea4a0809a4a98e1eb9258064294c5a1 [1,0,0,0,0,0|3,0,0]=4 921 B10R0.4 NC(=O)CCCCCNCF 168835141376a98e5d3e17441231488d [1,0,0,0,0,0|3,0,0]=4 922 B10R0.4 NC(=O)CCCCCNCO c8d62efe9ddd27feee6ab28f94464eb3 [1,0,0,0,0,0|3,0,0]=4 923 B10R0.4 NC(=O)CCCCCOCF 2addd4a9eb63485547e699d34a2e3bda [1,0,0,0,0,0|3,0,0]=4 924 B10R0.4 NC(=O)CCCCNCC=O 4915834623ef6082a97cfad912ece1a4 [1,0,0,0,0,0|3,0,0]=4 925 B10R0.4 NC(=O)CCCCNCCBr 1be305104caab4a4daf4dcf67a7d3373 [1,0,0,0,0,0|3,0,0]=4 926 B10R0.4 NC(=O)CCCCNCCF 72fd08895d0cfec42cf5f8ad9cc7194f [1,0,0,0,0,0|3,0,0]=4 927 B10R0.4 NC(=O)CCCCNCCI 78e76279c3418a2f92c0ffbc11c0ef60 [1,0,0,0,0,0|3,0,0]=4 928 B10R0.4 NC(=O)CCCCNCCO 65a3f0ae966d6c5849294c99bfca067f [1,0,0,0,0,0|3,0,0]=4 929 B10R0.4 NC(=O)CCCCNCCS ea711f8552c320ab0830eb07fa9f8a8e [1,0,0,0,0,0|3,0,0]=4 930 B10R0.4 NC(=O)CCCCOCC=O 6df2c8ad8ba3aa367aeb0d6fa246cc61 [1,0,0,0,0,0|3,0,0]=4 931 B10R0.4 NC(=O)CCCCOCCF 1fa9ac85a773296f72491dce6168bff5 [1,0,0,0,0,0|3,0,0]=4 932 B10R0.4 NC(=O)CCCCOCCS 5e773ef22e7ade0a618741541ea006e2 [1,0,0,0,0,0|3,0,0]=4 933 B10R0.4 NC(=O)CCCNCCC=O e9bd135ce3e97d1b5811095608647ad4 [1,0,0,0,0,0|3,0,0]=4 934 B10R0.4 NC(=O)CCCNCCCCl b7463b528e977373efeab5bccf8216e8 [1,0,0,0,0,0|3,0,0]=4 935 B10R0.4 NC(=O)CCCNCCCF beb6d533f51a08fb33d14624b0e967c0 [1,0,0,0,0,0|3,0,0]=4 936 B10R0.4 NC(=O)CCCNCCCO b5e570a09bf7ce0f6958f6cf24cea4bf [1,0,0,0,0,0|3,0,0]=4 937 B10R0.4 NC(=O)CCCNCCCS c06946ab4df4cd892041c2dcfa32b5ce [1,0,0,0,0,0|3,0,0]=4 938 B10R0.4 NC(=O)CCCOCCC=O 919f799cec73e37dbdf4cf7ba085466e [1,0,0,0,0,0|3,0,0]=4 939 B10R0.4 NC(=O)CCCOCCCF 5dc0e0365cec6a86ae412df215c6ec75 [1,0,0,0,0,0|3,0,0]=4 940 B10R0.4 NC(=O)CCCOCCCS da597ec925c094b7920b8d33c7a6d48b [1,0,0,0,0,0|3,0,0]=4 941 B10R0.4 NC(=O)CCNCCCC=O 03cb2883b3b9787bbdb3997e6fb094c7 [1,0,0,0,0,0|3,0,0]=4 942 B10R0.4 NC(=O)CCNCCCCCl 63105970c630efac409c486cadbffae8 [1,0,0,0,0,0|3,0,0]=4 943 B10R0.4 NC(=O)CCNCCCCF f4d9a57afee09bbd8cf18840bf126164 [1,0,0,0,0,0|3,0,0]=4 944 B10R0.4 NC(=O)CCNCCCCO db69f1b1124d2372ea58a136b572225b [1,0,0,0,0,0|3,0,0]=4 945 B10R0.4 NC(=O)CCNCCCCS b6c83f4fb64e3ec4caa041b67ccc0077 [1,0,0,0,0,0|3,0,0]=4 946 B10R0.4 NC(=O)CCOCCCC=O 89f3ee012053f5641a2206025135d45d [1,0,0,0,0,0|3,0,0]=4 947 B10R0.4 NC(=O)CCOCCCCF b88b8093813004ba1f889bd23f7c96c9 [1,0,0,0,0,0|3,0,0]=4 948 B10R0.4 NC(=O)CCOCCCCS 37caaf4852e726737cc27b3110550d16 [1,0,0,0,0,0|3,0,0]=4 949 B10R0.4 NC(=O)CNCCCCC=O ce1506e0410275a160c5b5779bd374d6 [1,0,0,0,0,0|3,0,0]=4 950 B10R0.4 NC(=O)CNCCCCCCl fd31e95bdf01f497eb7912a9a53f6494 [1,0,0,0,0,0|3,0,0]=4 951 B10R0.4 NC(=O)CNCCCCCF f6c85c89a6d81f1c3ad25ca646ccff17 [1,0,0,0,0,0|3,0,0]=4 952 B10R0.4 NC(=O)CNCCCCCO 7b34d60a58c145ac2efa7af0999699a8 [1,0,0,0,0,0|3,0,0]=4 953 B10R0.4 NC(=O)COCCCCC=O ed47e5afcbfee2789ca1c9fb776840c0 [1,0,0,0,0,0|3,0,0]=4 954 B10R0.4 NC(=O)COCCCCCF 2490632b700a7ac5785deea7c0a8c40c [1,0,0,0,0,0|3,0,0]=4 955 B10R0.4 NOCCCCNCC(=O)O 70dadd5c846e10f66795cc83cee65fc1 [1,0,0,0,0,0|3,0,0]=4 956 B10R0.4 O=C(O)CCCCCNCF 5010e9049fecfa0377d660157cc67715 [1,0,0,0,0,0|2,0,0]=3 957 B10R0.4 O=C(O)CCCCCNCO 9f006abe272dfebb9f21f85b4e25f481 [1,0,0,0,0,0|2,0,0]=3 958 B10R0.4 O=C(O)CCCCCOCF 71f72a753ed44d8087f81d2f875fc41b [1,0,0,0,0,0|2,0,0]=3 959 B10R0.4 O=C(O)CCCCNCCF aa510449750017f96f3f1d1804b3727d [1,0,0,0,0,0|2,0,0]=3 960 B10R0.4 O=C(O)CCCCNCCI 0252ad0383162f9fa94cd74a1313364e [1,0,0,0,0,0|2,0,0]=3 961 B10R0.4 O=C(O)CCCCNCCO 278650aa09a4063af47118a1fddf5afa [1,0,0,0,0,0|2,0,0]=3 962 B10R0.4 O=C(O)CCCCNCCS b836a13534f967d6f1dddb4786cb91a3 [1,0,0,0,0,0|2,0,0]=3 963 B10R0.4 O=C(O)CCCCOCCF e9c9bf004bced3e5d4d08ac016f5c678 [1,0,0,0,0,0|2,0,0]=3 964 B10R0.4 O=C(O)CCCCOCCS e9bbc58a5b43da00330d5dac53c10e5b [1,0,0,0,0,0|2,0,0]=3 965 B10R0.4 O=C(O)CCCNC/C=C/Cl d0b8c623bb462bdf13a8032e34a30c38 [1,0,0,0,0,0|2,0,1]=4 966 B10R0.4 O=C(O)CCCNC/C=C\Cl 3bea552d4ebb8cccfe58e6c3a83c5c7c [1,0,0,0,0,0|2,0,1]=4 967 B10R0.4 O=C(O)CCCNC/C=C\O 6613045f4ae1ec673d2c1e65be33939d [1,0,0,0,0,0|2,0,1]=4 968 B10R0.4 O=C(O)CCCNCCCCl e7a82f437ef7ce7c511305c3bebf2ef2 [1,0,0,0,0,0|2,0,0]=3 969 B10R0.4 O=C(O)CCCNCCCF 3c12d664e7366df0bac8121fcdb32907 [1,0,0,0,0,0|2,0,0]=3 970 B10R0.4 O=C(O)CCCNCCCO 9a5e0cfff3cc3bd220fe4c019937f745 [1,0,0,0,0,0|2,0,0]=3 971 B10R0.4 O=C(O)CCCOC/C=C/Cl 7f0996062cdf0ef60addb1706ca8d5f0 [1,0,0,0,0,0|2,0,1]=4 972 B10R0.4 O=C(O)CCCOCC=CCl 32834694f66f2ee7ff3031b2bb110447 [1,0,0,0,0,0|2,0,1]=4 973 B10R0.4 O=C(O)CCCOCCCF ef86cc67ffb85fea8a2e23ffd0be7146 [1,0,0,0,0,0|2,0,0]=3 974 B10R0.4 O=C(O)CCNCCCCCl 15c8dbba8e6f22b07523ac4d29cb0ac3 [1,0,0,0,0,0|2,0,0]=3 975 B10R0.4 O=C(O)CCNCCCCF f5d00c625d661c736577c0dc3ba36014 [1,0,0,0,0,0|2,0,0]=3 976 B10R0.4 O=C(O)CCNCCCCO 1717076d72b743c651a0c543e687abfd [1,0,0,0,0,0|2,0,0]=3 977 B10R0.4 O=C(O)CCNCCCCS 49b25c5bdb84f91f3248e476108ccc79 [1,0,0,0,0,0|2,0,0]=3 978 B10R0.4 O=C(O)CCOCCCCF f1aba4d0fec36c39af00cdd25995f36c [1,0,0,0,0,0|2,0,0]=3 979 B10R0.4 O=C(O)CCOCCCCS f440f233d2be0718d562a00417942445 [1,0,0,0,0,0|2,0,0]=3 980 B10R0.4 O=C(O)CCOCCNCF b10b5c45064cfa3b61462f03de721399 [1,0,0,0,0,0|3,0,0]=4 981 B10R0.4 O=C(O)CCOCCNCO e209915a2f35feaa6536a9cab51db950 [1,0,0,0,0,0|3,0,0]=4 982 B10R0.4 O=C(O)CCOCCOCF 794036639e850bf79b0e6c6bb818a4b5 [1,0,0,0,0,0|3,0,0]=4 983 B10R0.4 O=C(O)CNCCCCCCl a83b6bb993dd65ffba33eb2586cdf494 [1,0,0,0,0,0|2,0,0]=3 984 B10R0.4 O=C(O)CNCCCCCF 4dbeaa853a61d08f169520460ad25911 [1,0,0,0,0,0|2,0,0]=3 985 B10R0.4 O=C(O)CNCCCCCO 95121d7be2e3a87e4e81ec26c166df24 [1,0,0,0,0,0|2,0,0]=3 986 B10R0.4 O=C(O)CNCCOCCO 61358dfe4f762e3239860abf51eb55a2 [1,0,0,0,0,0|3,0,0]=4 987 B10R0.4 O=C(O)CNCCOCCS 925322d012b8e92ba4e47f9a5625ac74 [1,0,0,0,0,0|3,0,0]=4 988 B10R0.4 O=C(O)CNCCSCCO 277ca89a0a517963cae207967b457e7c [1,0,0,0,0,0|3,0,0]=4 989 B10R0.4 O=C(O)COCCCCCF 8e4729e23febda2f8d2fd6c5de67d134 [1,0,0,0,0,0|2,0,0]=3 990 B10R0.4 O=C(O)COCCNCCF 2e7d4e80e31c3481ef07788398a5dd6a [1,0,0,0,0,0|3,0,0]=4 991 B10R0.4 O=C(O)COCCNCCI e3160e5e187ed431712741097b4ede2f [1,0,0,0,0,0|3,0,0]=4 992 B10R0.4 O=C(O)COCCNCCO 1d28851cb10c60424a64961c961ad5e1 [1,0,0,0,0,0|3,0,0]=4 993 B10R0.4 O=C(O)COCCNCCS 426b240fbe8b2d3c77fa7bc41add1fe2 [1,0,0,0,0,0|3,0,0]=4 994 B10R0.4 O=C(O)COCCOCCF 98b6f4f719a60ef054da74892db23cca [1,0,0,0,0,0|3,0,0]=4 995 B10R0.4 O=C(O)COCCOCCS 374d05928f0579f3109488a6dc4024e2 [1,0,0,0,0,0|3,0,0]=4 996 B10R0.4 O=C(O)CSCCNCCF cb7168a71eceedaa9f2298994c7f8a7d [1,0,0,0,0,0|3,0,0]=4 997 B10R0.4 O=C(O)CSCCNCCO f8149fa1464b0b22fccb9cf51e8861d6 [1,0,0,0,0,0|3,0,0]=4 998 B10R0.4 O=C(O)CSCCNCCS 9c8f0db50c9a3907b8542969b9c22d43 [1,0,0,0,0,0|3,0,0]=4 999 B10R0.4 O=CCCCCNCC(=O)O afa09eb7ad93095d62a13368a3c2af83 [1,0,0,0,0,0|2,0,0]=3 1000 B10R0.4 O=CCCCCOCC(=O)O bbd2ea09c7afe456618ef923b44a2447 [1,0,0,0,0,0|2,0,0]=3 1001 B10R0.4 O=CCCCCOCS(=O)O 42e20277f4ba659cd55585ab1357921a [1,0,0,0,0,0|3,0,0]=4 1002 B10R0.4 O=CCCCNCCC(=O)O 8cfdc6a24de021fcf9eedd1564d48e87 [1,0,0,0,0,0|2,0,0]=3 1003 B10R0.4 O=CCCCNCCS(=O)O 9563d9b55f79f6bd65cb3398bdcba35c [1,0,0,0,0,0|3,0,0]=4 1004 B10R0.4 O=CCCCOCCC(=O)O 6315c452ffa50a37c22ea75ed9b097ad [1,0,0,0,0,0|2,0,0]=3 1005 B10R0.4 O=CCCNCCCC(=O)O 4cf44d1235885a7352ee88704c953847 [1,0,0,0,0,0|2,0,0]=3 1006 B10R0.4 O=CCCOCCCC(=O)O eeaed839850eec036bbecf09fd02f04c [1,0,0,0,0,0|2,0,0]=3 1007 B10R0.4 O=CCNCCCCC(=O)O f97209a18d125e201a5732d6f0c937c4 [1,0,0,0,0,0|2,0,0]=3 1008 B10R0.4 O=CCNCCOCC(=O)O 362725fd556ced7151e5415e0a962f24 [1,0,0,0,0,0|3,0,0]=4 1009 B10R0.4 O=CCNCCSCC(=O)O d0be72958cae681a0bece97b24112e21 [1,0,0,0,0,0|3,0,0]=4 1010 B10R0.4 O=CCOCCCCC(=O)O 77808aab3bd2e939797466d1a102c859 [1,0,0,0,0,0|2,0,0]=3 1011 B10R0.4 O=CCOCCNCC(=O)O 3b67c17346f39dfe377ae4e4ceee3427 [1,0,0,0,0,0|3,0,0]=4 1012 B10R0.4 O=CCOCCOCC(=O)O 16d2dff1285ffe1451ee4280c5c17031 [1,0,0,0,0,0|3,0,0]=4 1013 B10R0.4 O=CNCCOCCC(=O)O 6a6dd9a67adea14e5c87dc1284a8d2c7 [1,0,0,0,0,0|3,0,0]=4 1014 B10R0.4 O=COCCOCCC(=O)O 4198af4e4c2a0c8f431f24b9dc75a6b1 [1,0,0,0,0,0|3,0,0]=4 1015 B10R0.4 O=S(O)CCNCCCCF a6ebb461e61fd8b9709d31e16a4963d8 [1,0,0,0,0,0|3,0,0]=4 1016 B10R0.4 O=S(O)CCNCCCCO 77eee8cda74a4dc486213a9365905d5d [1,0,0,0,0,0|3,0,0]=4 1017 B10R0.4 O=S(O)COCCCCCF 402ddc7a1da086e0d2bc9a9fc3ebe9c1 [1,0,0,0,0,0|3,0,0]=4 1018 B10R0.71 C#CCCCCCCNC=O 05a9b2edbee3cf0f2b0f3bd7c7eaf71b [1,0,0,0,0,0|1,0,2]=4 1019 B10R0.71 C#CCCCCCNCC=C b0c55819de36b1d2a827a0a0ccec92e5 [1,0,0,0,0,0|2,0,1]=4 1020 B10R0.71 C#CCCCCCNCC=O 7775796705480c14b477aa8ba0b73d15 [1,0,0,0,0,0|1,0,2]=4 1021 B10R0.71 C#CCCCCCOCC=C bfff9972e70fbc83ebb7e8a48d949ea2 [1,0,0,0,0,0|2,0,1]=4 1022 B10R0.71 C#CCCCCCOCC=O 1a7b63a44d4399e82036303aec0b425b [1,0,0,0,0,0|1,0,2]=4 1023 B10R0.71 C#CCCCCNCCC=C ff7bdf49acb2fcf390c74d338681bd54 [1,0,0,0,0,0|2,0,1]=4 1024 B10R0.71 C#CCCCCNCCC=O 9e1229f9a9bb5052897460aa98f345eb [1,0,0,0,0,0|1,0,2]=4 1025 B10R0.71 C#CCCCCOCCC=C 474a3a2f80bf052199f703406e51ed90 [1,0,0,0,0,0|2,0,1]=4 1026 B10R0.71 C#CCCCCOCCC=O b837064fe3c8c314e6c3a263376427bb [1,0,0,0,0,0|1,0,2]=4 1027 B10R0.71 C#CCCCNCCCC=C c525f7e571f711942a8432b0c35ba50a [1,0,0,0,0,0|2,0,1]=4 1028 B10R0.71 C#CCCCNCCCC=O 9f0a182629b00e5b8b926b5385aaae66 [1,0,0,0,0,0|1,0,2]=4 1029 B10R0.71 C#CCCCOCCCC=C f08bf35b057c5298e6ef0d2f36d3199a [1,0,0,0,0,0|2,0,1]=4 1030 B10R0.71 C#CCCCOCCCC=O ac2481a510f99cbdb49ccadae8f6b767 [1,0,0,0,0,0|1,0,2]=4 1031 B10R0.71 C#CCCNCCCCC=C 391aef50ca72182e847bba961aa87736 [1,0,0,0,0,0|2,0,1]=4 1032 B10R0.71 C#CCCNCCCCC=O cbfdfc0ccb5aa7dabc377a4fe00a5332 [1,0,0,0,0,0|1,0,2]=4 1033 B10R0.71 C#CCCOCCCCC=C d530dcdd3c64c28e3ad0c30cf73508f6 [1,0,0,0,0,0|2,0,1]=4 1034 B10R0.71 C#CCCOCCCCC=O c3207df27e03a4e14b4de4481563145c [1,0,0,0,0,0|1,0,2]=4 1035 B10R0.71 C#CCNCCCCCC=C 424b82c567209147c9e37c424799288d [1,0,0,0,0,0|2,0,1]=4 1036 B10R0.71 C#CCNCCCCCC=O 55ec4d848132d599b726647bdc62c41b [1,0,0,0,0,0|1,0,2]=4 1037 B10R0.71 C#CCOCCCCCC=C a64bea046fd312639ac0dc3d22f6c7b1 [1,0,0,0,0,0|2,0,1]=4 1038 B10R0.71 C#CCOCCCCCC=O 670d4e31cbec64a959baed42b2a44631 [1,0,0,0,0,0|1,0,2]=4 1039 B10R0.71 C/C=C/CCCOCCC=O 099c08e5c9575bdb23438e08c620b76f [1,0,0,0,0,0|1,0,2]=4 1040 B10R0.71 C/C=C/CCOCCCC=O 46be8a5f234e47ed5f7141f11d130e36 [1,0,0,0,0,0|1,0,2]=4 1041 B10R0.71 C/C=C/COCCCCC=O c69191768fd3a5cdc75c8954e68658dc [1,0,0,0,0,0|1,0,2]=4 1042 B10R0.71 C/C=C\CCCOCCC=O ab415cdd81ed9ccdd379943059deca49 [1,0,0,0,0,0|1,0,2]=4 1043 B10R0.71 C/C=C\COCCCCC=O 24a162bb69ad155abd28d7f92eba7dd3 [1,0,0,0,0,0|1,0,2]=4 1044 B10R0.71 C=C/C=C/CCNCCC=O 4c24be46bcf96132b219893602029e8f [1,0,0,0,0,0|1,0,2]=4 1045 B10R0.71 C=C=CCCOCCCC=O c833ca2724544b8f3e27577d71d6d08c [1,0,0,0,0,0|1,0,2]=4 1046 B10R0.71 C=CCC#CCCOCC=O 644c7934e7115f0a7dab553db2f94aa1 [1,0,0,0,0,0|1,0,2]=4 1047 B10R0.71 C=CCCCCCCNC#N a7f2b48764b6034d831fca69fb4686e4 [1,0,0,0,0,0|2,0,1]=4 1048 B10R0.71 C=CCCCCCCOCC 6dbc32c9d3b20eeb8cee0cf24e365bb6 [1,0,0,0,0,0|2,0,1]=4 1049 B10R0.71 C=CCCCCCCOCF ba1085398d79272f1df34421ffc4b321 [1,0,0,0,0,0|2,0,1]=4 1050 B10R0.71 C=CCCCCCNCC#N 0b5263e4ab32d4f13560737a09088071 [1,0,0,0,0,0|2,0,1]=4 1051 B10R0.71 C=CCCCCCNCC=C 337127659d1a9fa120d88d7612afe7a1 [1,0,0,0,0,0|2,0,0]=3 1052 B10R0.71 C=CCCCCCNCC=O 1857f30dc3e8a82c4ddeaf06239a23fd [1,0,0,0,0,0|1,0,0]=2 1053 B10R0.71 C=CCCCCCNCCBr 7bf3adb49983192e0a8a49d177e7c6d5 [1,0,0,0,0,0|2,0,1]=4 1054 B10R0.71 C=CCCCCCNCCC 10e6b327fcac81e127610491b239e591 [1,0,0,0,0,0|2,0,1]=4 1055 B10R0.71 C=CCCCCCNCCF 545ec125c77923aedb12f5fa30e6e403 [1,0,0,0,0,0|2,0,1]=4 1056 B10R0.71 C=CCCCCCNCCI f42fafb7c249fa43bcc523bbd68cd00c [1,0,0,0,0,0|2,0,1]=4 1057 B10R0.71 C=CCCCCCNCCO f7d0f86a115b9f08d659030c944cd614 [1,0,0,0,0,0|1,0,1]=3 1058 B10R0.71 C=CCCCCCNCCS 286ec5ad0e5df2090f8f8836e2b41e4f [1,0,0,0,0,0|1,1,1]=4 1059 B10R0.71 C=CCCCCCNCOC 233708827b1f4d8a3f2b7083fc16d74d [1,0,0,0,0,0|3,0,0]=4 1060 B10R0.71 C=CCCCCCNCSC bac6ae95292df5482b409d8114dd20a9 [1,0,0,0,0,0|3,0,0]=4 1061 B10R0.71 C=CCCCCCOCC#N 43bf41a3225bc7c4f691f88c2202c098 [1,0,0,0,0,0|2,0,1]=4 1062 B10R0.71 C=CCCCCCOCC=C 0ab8f73f100f07595188ba32d76c124d [1,0,0,0,0,0|2,0,0]=3 1063 B10R0.71 C=CCCCCCOCC=O 17fcd001972daa95e2aa4e2615b8135d [1,0,0,0,0,0|1,0,0]=2 1064 B10R0.71 C=CCCCCCOCCC c368b69977ea0df80586838beccded89 [1,0,0,0,0,0|2,0,1]=4 1065 B10R0.71 C=CCCCCCOCCF 734cc28cc4a5f7558737cac3edb12039 [1,0,0,0,0,0|2,0,1]=4 1066 B10R0.71 C=CCCCCCOCCS 94aa1e74af85f030ba930f29a08bce42 [1,0,0,0,0,0|1,1,1]=4 1067 B10R0.71 C=CCCCCCOCOC c4f73474bfbaed5a5008259b51390465 [1,0,0,0,0,0|3,0,0]=4 1068 B10R0.71 C=CCCCCCOCSC 1e3818424f37fdb9d235665bd11df4d0 [1,0,0,0,0,0|3,0,0]=4 1069 B10R0.71 C=CCCCCNC/C=C/C b187f5daabcb7717f4009e5f5891f787 [1,0,0,0,0,0|2,0,1]=4 1070 B10R0.71 C=CCCCCNC/C=C/Cl c0e2da36097d31d49c2a171155ccade7 [1,0,0,0,0,0|2,0,1]=4 1071 B10R0.71 C=CCCCCNC/C=C\C 4427ba864a032953578f9b062980a646 [1,0,0,0,0,0|2,0,1]=4 1072 B10R0.71 C=CCCCCNC/C=C\Cl a520cfa1ff63fc03cb5d7af9be164d34 [1,0,0,0,0,0|2,0,1]=4 1073 B10R0.71 C=CCCCCNC/C=C\O a271498d175f0cdef658f238d3e45b81 [1,0,0,0,0,0|1,0,1]=3 1074 B10R0.71 C=CCCCCNCC=CC cc17eb739dc6d917aa61240a870edff9 [1,0,0,0,0,0|2,0,1]=4 1075 B10R0.71 C=CCCCCNCCC#N 0a090c89ca827c47cbb250b02d22bd58 [1,0,0,0,0,0|2,0,1]=4 1076 B10R0.71 C=CCCCCNCCC=C 2bb6f49c6920b2c18453915bc6d40db3 [1,0,0,0,0,0|2,0,0]=3 1077 B10R0.71 C=CCCCCNCCC=O a2c3ff4b816f5d65313535b507c6cbd9 [1,0,0,0,0,0|1,0,0]=2 1078 B10R0.71 C=CCCCCNCCCC 70afaf74cdc590f950a8db01489534df [1,0,0,0,0,0|2,0,1]=4 1079 B10R0.71 C=CCCCCNCCCCl 7af7e1af65edab0a6717c6b733cccc11 [1,0,0,0,0,0|2,0,1]=4 1080 B10R0.71 C=CCCCCNCCCF 8e0c86b3441409ec5487d6539b73b387 [1,0,0,0,0,0|2,0,1]=4 1081 B10R0.71 C=CCCCCNCCCO b18ea8f54bcf0000513f0386a3bb6063 [1,0,0,0,0,0|1,0,1]=3 1082 B10R0.71 C=CCCCCNCCCS e5431df90afe2bb79d627e5ea46397ca [1,0,0,0,0,0|1,1,1]=4 1083 B10R0.71 C=CCCCCNCCOC 786d3f09922ed6c0722700a1bd75b378 [1,0,0,0,0,0|3,0,0]=4 1084 B10R0.71 C=CCCCCNCCON 2b0afd1470d414ac7f12df4eb538eeb3 [1,0,0,0,0,0|3,0,0]=4 1085 B10R0.71 C=CCCCCNCCSC 01226b9c0d36f6bb1806bda8f3acb402 [1,0,0,0,0,0|3,0,0]=4 1086 B10R0.71 C=CCCCCOC/C=C/C 8c165375cd561db84918789b359f451f [1,0,0,0,0,0|2,0,1]=4 1087 B10R0.71 C=CCCCCOC/C=C/Cl 626bb9de714528cd6b8842d396519048 [1,0,0,0,0,0|2,0,1]=4 1088 B10R0.71 C=CCCCCOC/C=C\C f91cc334e33c429e7b12087f94beaccf [1,0,0,0,0,0|2,0,1]=4 1089 B10R0.71 C=CCCCCOC/C=C\Cl 78cb79299a59f4e1024fb1e0ea76d14c [1,0,0,0,0,0|2,0,1]=4 1090 B10R0.71 C=CCCCCOCC=CC ad9bd00385f76ac9e6759fecfe40079c [1,0,0,0,0,0|2,0,1]=4 1091 B10R0.71 C=CCCCCOCC=CCl 02e215a8cbbe2bedea9721982cce8198 [1,0,0,0,0,0|2,0,1]=4 1092 B10R0.71 C=CCCCCOCCC#N b719fb2ea639d0cf414843065ace3911 [1,0,0,0,0,0|2,0,1]=4 1093 B10R0.71 C=CCCCCOCCC=C ef4e5d72836270d47281b2e5d9605d16 [1,0,0,0,0,0|2,0,0]=3 1094 B10R0.71 C=CCCCCOCCC=O c6eb9fb2bd78e7e77bf2a5932883614a [1,0,0,0,0,0|1,0,0]=2 1095 B10R0.71 C=CCCCCOCCCC eb8efda51eb20afeb995d9abe3ad7654 [1,0,0,0,0,0|2,0,1]=4 1096 B10R0.71 C=CCCCCOCCCF 882effedca18ba9d76d5432268d28dd7 [1,0,0,0,0,0|2,0,1]=4 1097 B10R0.71 C=CCCCCOCCCS 4610456b9469d4f7a47d1de5e7c1a580 [1,0,0,0,0,0|1,1,1]=4 1098 B10R0.71 C=CCCCCOCCOC beaf1f660f7ab609a3dc41d5755c99ba [1,0,0,0,0,0|3,0,0]=4 1099 B10R0.71 C=CCCCCOCCSC 7e9a6d2a6cc0774d4201294a93f9f0c9 [1,0,0,0,0,0|3,0,0]=4 1100 B10R0.71 C=CCCCNCCCC#N 482a511b8caff7bb6ca5d18cc650091c [1,0,0,0,0,0|2,0,1]=4 1101 B10R0.71 C=CCCCNCCCC=C b79d8c24b75bd6684bc0d1d9f1e00f04 [1,0,0,0,0,0|2,0,0]=3 1102 B10R0.71 C=CCCCNCCCC=O c52fd472e2bf7610bc96af228930c678 [1,0,0,0,0,0|1,0,0]=2 1103 B10R0.71 C=CCCCNCCCCC 4a774e72e8691531f796e4ee77ce73c0 [1,0,0,0,0,0|2,0,1]=4 1104 B10R0.71 C=CCCCNCCCCCl 1b109389c014c694ea933d73567abda3 [1,0,0,0,0,0|2,0,1]=4 1105 B10R0.71 C=CCCCNCCCCF 029bc42d8a0b683e267a8eb12b743875 [1,0,0,0,0,0|2,0,1]=4 1106 B10R0.71 C=CCCCNCCCCO f895e67e13a89b3cac3415d11f625144 [1,0,0,0,0,0|1,0,1]=3 1107 B10R0.71 C=CCCCNCCCCS ac2ec8045b3c43a624981479a96f5ca7 [1,0,0,0,0,0|1,1,1]=4 1108 B10R0.71 C=CCCCNCCCOC a7f009dc279f74d049c98f6d37a588b9 [1,0,0,0,0,0|3,0,0]=4 1109 B10R0.71 C=CCCCNCCCSC 9e01f8d4bd65ed7f2d8e2ca572bfc08a [1,0,0,0,0,0|3,0,0]=4 1110 B10R0.71 C=CCCCNCCOC=C 6af7113a3e4b297c43240d4f2d5b7dde [1,0,0,0,0,0|3,0,0]=4 1111 B10R0.71 C=CCCCOC/C=C/C=O 437ff115bda482d3581d2b444a3a1f30 [1,0,0,0,0,0|1,0,2]=4 1112 B10R0.71 C=CCCCOCC/C=C/C 916dde146cf16e6009a56ecc85109198 [1,0,0,0,0,0|2,0,1]=4 1113 B10R0.71 C=CCCCOCCCC#N 6a0ea633a21e1790206e5c11f6419c59 [1,0,0,0,0,0|2,0,1]=4 1114 B10R0.71 C=CCCCOCCCC=C e92a772fc1bf716031a691127e44b3c7 [1,0,0,0,0,0|2,0,0]=3 1115 B10R0.71 C=CCCCOCCCC=O ac2ab3e9791e20bb61b6db6076e36f71 [1,0,0,0,0,0|1,0,0]=2 1116 B10R0.71 C=CCCCOCCCCC 63a6d257d062f7533d7c287ac671b0fd [1,0,0,0,0,0|2,0,1]=4 1117 B10R0.71 C=CCCCOCCCCF 952a847e61654223bb0241852f015143 [1,0,0,0,0,0|2,0,1]=4 1118 B10R0.71 C=CCCCOCCCCS f09d3b032011a0a9e18545d5583de1ca [1,0,0,0,0,0|1,1,1]=4 1119 B10R0.71 C=CCCCOCCCOC d7deb59385122a839a8401306610164a [1,0,0,0,0,0|3,0,0]=4 1120 B10R0.71 C=CCCCOCCCSC ad51f8f942451d088b0e431034c1e47a [1,0,0,0,0,0|3,0,0]=4 1121 B10R0.71 C=CCCCOCCNC=O 8572b613c7e45996ea21a2cc20231bdf [1,0,0,0,0,0|2,0,0]=3 1122 B10R0.71 C=CCCCOCCOC=C 68d02429faad35ad1d1c6eed74825215 [1,0,0,0,0,0|3,0,0]=4 1123 B10R0.71 C=CCCCOCCOC=O 3d096474d6b9c64bff6e37d1dcccaacf [1,0,0,0,0,0|2,0,0]=3 1124 B10R0.71 C=CCCNCCC/C=C\C 4d51b8d3651c5b1333eaa2e9aad13940 [1,0,0,0,0,0|2,0,1]=4 1125 B10R0.71 C=CCCNCCCCC#N 5b75a14e343d310b4b1c73ece3251d87 [1,0,0,0,0,0|2,0,1]=4 1126 B10R0.71 C=CCCNCCCCC=O 19bd29bdffbf8d56067253e4b3eef3c1 [1,0,0,0,0,0|1,0,0]=2 1127 B10R0.71 C=CCCNCCCCCC 76e5dd4d3273056eb014515e2136d33d [1,0,0,0,0,0|2,0,1]=4 1128 B10R0.71 C=CCCNCCCCCCl f24a979e2bc618bda77c9da3df558937 [1,0,0,0,0,0|2,0,1]=4 1129 B10R0.71 C=CCCNCCCCCF f4440dbd77cf312ed56e47e12976f870 [1,0,0,0,0,0|2,0,1]=4 1130 B10R0.71 C=CCCNCCCCCO 62f9adf3d7c33e75a7a4174782adecbf [1,0,0,0,0,0|1,0,1]=3 1131 B10R0.71 C=CCCNCCCCOC 6ab83d32bf7be366cc7c4768404e0809 [1,0,0,0,0,0|3,0,0]=4 1132 B10R0.71 C=CCCNCCCCON b034f7b11d27947f945224ed1759424b [1,0,0,0,0,0|3,0,0]=4 1133 B10R0.71 C=CCCNCCCCSC 161d280e5306f8cf5463229ad260169c [1,0,0,0,0,0|3,0,0]=4 1134 B10R0.71 C=CCCNCCCOC=C 3c4b98f2001561d9d9eefd424152322e [1,0,0,0,0,0|3,0,0]=4 1135 B10R0.71 C=CCCNCCOCC=C ffc659e1dd0f2f76c4cc19f808315f44 [1,0,0,0,0,0|3,0,0]=4 1136 B10R0.71 C=CCCNCCOCC=O 7e0be6278a1ff768a819b061e9dc77a0 [1,0,0,0,0,0|2,0,0]=3 1137 B10R0.71 C=CCCNCCOCCO b37eaecc0f29f4c70d7c69b07c07cb81 [1,0,0,0,0,0|2,0,1]=4 1138 B10R0.71 C=CCCNCCSCCO 9c808f8099afa8839f224d59619085bf [1,0,0,0,0,0|2,0,1]=4 1139 B10R0.71 C=CCCOCCC/C=C/C 366adcae3df75a7151ff9428c4c5c140 [1,0,0,0,0,0|2,0,1]=4 1140 B10R0.71 C=CCCOCCC/C=C\C 6f6ba2c3652beccce2db6344401ac97b [1,0,0,0,0,0|2,0,1]=4 1141 B10R0.71 C=CCCOCCCC=CC ae9a837aec567c1fa3fbc294bf721a77 [1,0,0,0,0,0|2,0,1]=4 1142 B10R0.71 C=CCCOCCCCC#N 053f6073d88c7f6f6c9ebdc150f113eb [1,0,0,0,0,0|2,0,1]=4 1143 B10R0.71 C=CCCOCCCCC=O e2033db401aa897564a821f32794cad1 [1,0,0,0,0,0|1,0,0]=2 1144 B10R0.71 C=CCCOCCCCCC 8814dfd80f4d64b7d70e638ca2c0b882 [1,0,0,0,0,0|2,0,1]=4 1145 B10R0.71 C=CCCOCCCCCF cfc3c428871d275f9e4b4b3dbc1b497a [1,0,0,0,0,0|2,0,1]=4 1146 B10R0.71 C=CCCOCCCCOC ad566a33374e76128a9847d1fb0443f7 [1,0,0,0,0,0|3,0,0]=4 1147 B10R0.71 C=CCCOCCCCSC 57509db3b18f2853353a533d0e0b566c [1,0,0,0,0,0|3,0,0]=4 1148 B10R0.71 C=CCCOCCOCC=C 8b90814b0550091d0f26b40e2834c052 [1,0,0,0,0,0|3,0,0]=4 1149 B10R0.71 C=CCCOCCOCC=O ada37423120c4505964d8ef785f8e022 [1,0,0,0,0,0|2,0,0]=3 1150 B10R0.71 C=CCNCCCCCC#N 210920208d775f3c8f2500e406ff662f [1,0,0,0,0,0|2,0,1]=4 1151 B10R0.71 C=CCNCCCCCCC 2a2fd85d2768fa551513c1f6e6f4458d [1,0,0,0,0,0|2,0,1]=4 1152 B10R0.71 C=CCNCCCCCCCl 1b73fcaa69e1a5d687f32f9305dd3f6d [1,0,0,0,0,0|2,0,1]=4 1153 B10R0.71 C=CCNCCCCCCO c8d7270168b36f18582f9070243a7abc [1,0,0,0,0,0|1,0,1]=3 1154 B10R0.71 C=CCNCCCCCOC 4ccbf7ba0304aff1cf7348f7e053fcaf [1,0,0,0,0,0|3,0,0]=4 1155 B10R0.71 C=CCNCCCOCCO 46621413e13b8bdff05b6b077b962b88 [1,0,0,0,0,0|2,0,1]=4 1156 B10R0.71 C=CCNCCOCCCO d6f4cb33b769bde4d9d3331124e74e33 [1,0,0,0,0,0|2,0,1]=4 1157 B10R0.71 C=CCOCCCCCC#N c17e96c6f562e210ff458a588f2fb77b [1,0,0,0,0,0|2,0,1]=4 1158 B10R0.71 C=CCOCCCCCCC 817dc73f818a9c2b13aa69014917ad92 [1,0,0,0,0,0|2,0,1]=4 1159 B10R0.71 C=CCOCCCCCCF f709cb79d0ca41f317d6e8357e9568a7 [1,0,0,0,0,0|2,0,1]=4 1160 B10R0.71 C=CCOCCCCCCS a5836358633975ddc0a2aa7700ac4cc7 [1,0,0,0,0,0|1,1,1]=4 1161 B10R0.71 C=CCOCCCCOC=C 2689741de3aed60d257a80de57778505 [1,0,0,0,0,0|3,0,0]=4 1162 B10R0.71 C=CCOCCNCCCO b5afb12034aee9cd4ded8b37720b3f0f [1,0,0,0,0,0|2,0,1]=4 1163 B10R0.71 C=CCOCCOCCC=O 44d0567c477feacec6f13e89800873ca [1,0,0,0,0,0|2,0,0]=3 1164 B10R0.71 C=COCCCCOCC=O 37c2e1b2c0ee2d2232e21a667f4a560b [1,0,0,0,0,0|2,0,0]=3 1165 B10R0.71 C=COCCCNC/C=C\O e23d296aa699449a93032a1761c497b0 [1,0,0,0,0,0|2,0,1]=4 1166 B10R0.71 C=COCCCNCCC=O 9024de506155d5d8c0ea406f8b0815af [1,0,0,0,0,0|2,0,0]=3 1167 B10R0.71 C=COCCCNCCCO 9be59fe3f2c8147e961b022a044c4631 [1,0,0,0,0,0|2,0,1]=4 1168 B10R0.71 C=COCCNCCCC=O 323389d628db21389b9821d39235086d [1,0,0,0,0,0|2,0,0]=3 1169 B10R0.71 C=COCCNCCCCO 762e9c1e009a507fd72d928ea69a9b11 [1,0,0,0,0,0|2,0,1]=4 1170 B10R0.71 C=COCCOCCCC=O 4eafadb4700b4f4881e18137ad102690 [1,0,0,0,0,0|2,0,0]=3 1171 B10R0.71 CC=CCCCOCCC=O 97c9f6fdd6a4de3b92d2d85ba134118f [1,0,0,0,0,0|1,0,2]=4 1172 B10R0.71 CC=CCNCCCCC=O d8b092d9ef5e9f30b928b9bc7ef62f08 [1,0,0,0,0,0|1,0,2]=4 1173 B10R0.71 CC=CCOCCCCC=O 85eab19089cebb2153fb1e7f93e60c1a [1,0,0,0,0,0|1,0,2]=4 1174 B10R0.71 CCCCCCCCNC=O bc03f137b33aec3f705c81e5d5bac7bb [1,0,0,0,0,0|1,0,2]=4 1175 B10R0.71 CCCCCCCNCC=O bfb56bc7341eb925b4f8d6df80cbc0e0 [1,0,0,0,0,0|1,0,2]=4 1176 B10R0.71 CCCCCCCOCC=O 85a03949435365a6a1fdeda7013cb46a [1,0,0,0,0,0|1,0,2]=4 1177 B10R0.71 CCCCCCNCCC=O 7011a6760ad05bee90b4b5fe1ddade10 [1,0,0,0,0,0|1,0,2]=4 1178 B10R0.71 CCCCCCOCCC=O 52e11fbfda6e705332503dbf6ca57c21 [1,0,0,0,0,0|1,0,2]=4 1179 B10R0.71 CCCCCNCCCC=O 6680464fa50f8e11fa1a82d02cb758f7 [1,0,0,0,0,0|1,0,2]=4 1180 B10R0.71 CCCCCOCCCC=O 37cad7ef5e51a341a4958cbb40245746 [1,0,0,0,0,0|1,0,2]=4 1181 B10R0.71 CCCCNCCCCC=O dbb1efb0684adf2cb0a6d780179e9b96 [1,0,0,0,0,0|1,0,2]=4 1182 B10R0.71 CCCCOCCCCC=O 87caad785ee1de0ab8952b818b81a155 [1,0,0,0,0,0|1,0,2]=4 1183 B10R0.71 CCCNCCCCCC=O ea13b9738fa632ac5ce864b8fef8c315 [1,0,0,0,0,0|1,0,2]=4 1184 B10R0.71 CCCOCCCCCC=O f9a394720b00a6dd92dae6c05c91a7d4 [1,0,0,0,0,0|1,0,2]=4 1185 B10R0.71 COCCCCCNCC=O d231ec695157b503cb2910caa76afab4 [1,0,0,0,0,0|2,0,1]=4 1186 B10R0.71 COCCCCNCCC=O bcf1db108f2651749489c3b772b7f80b [1,0,0,0,0,0|2,0,1]=4 1187 B10R0.71 COCCCCOCCC=O 920c024d9ff9bded6a53740612fb580d [1,0,0,0,0,0|2,0,1]=4 1188 B10R0.71 COCCCNCCCC=O 9aed4760aa5268d3defa3d9fe6e72fc2 [1,0,0,0,0,0|2,0,1]=4 1189 B10R0.71 COCCCOCCCC=O 79af4fe20b656d14d46dea2166989e4d [1,0,0,0,0,0|2,0,1]=4 1190 B10R0.71 COCCNCCCCC=O bc6c422265c6e9088c0106f323f77ea0 [1,0,0,0,0,0|2,0,1]=4 1191 B10R0.71 COCCOCCCCC=O 6b541abfc9aefb5f7d5b8f086dc51d76 [1,0,0,0,0,0|2,0,1]=4 1192 B10R0.71 COCOCCCCCC=O dfd5ba090977dea135c94b805c3e2c51 [1,0,0,0,0,0|2,0,1]=4 1193 B10R0.71 CSCCCCNCCC=O a4fbba1777d91296aec29086c8318691 [1,0,0,0,0,0|2,0,1]=4 1194 B10R0.71 CSCCCCOCCC=O 6a065f146be1eb60def066554b747dd2 [1,0,0,0,0,0|2,0,1]=4 1195 B10R0.71 CSCCCNCCCC=O 01ee3ec09855ef4a2876bdf4a5baa2f8 [1,0,0,0,0,0|2,0,1]=4 1196 B10R0.71 CSCCCOCCCC=O 0e1c9223f3e4d89f214ccc3111c47256 [1,0,0,0,0,0|2,0,1]=4 1197 B10R0.71 CSCCNCCCCC=O 215548d3cae35566d21205f69c801c10 [1,0,0,0,0,0|2,0,1]=4 1198 B10R0.71 CSCCOCCCCC=O 8a74c1eee42229a729429931600634e6 [1,0,0,0,0,0|2,0,1]=4 1199 B10R0.71 N#CCCCCCNCC=O 4a9fb8a2b8ab172d4937381b743efbac [1,0,0,0,0,0|2,0,1]=4 1200 B10R0.71 N#CCCCCCOCC=O a3947feecab0e44016eb9ffd9ae0940a [1,0,0,0,0,0|2,0,1]=4 1201 B10R0.71 N#CCCCCNCCC=O 9965f8c1f18740268d80b3173e4e75b0 [1,0,0,0,0,0|2,0,1]=4 1202 B10R0.71 N#CCCCCOCCC=O 9547e16b467759d33dc88bacb51daeb2 [1,0,0,0,0,0|2,0,1]=4 1203 B10R0.71 N#CCCCNCCCC=O a2d94e8911a81a48e39ea84723271521 [1,0,0,0,0,0|2,0,1]=4 1204 B10R0.71 N#CCCCOCCCC=O 970f6ec388a9aef6da425194dac1b063 [1,0,0,0,0,0|2,0,1]=4 1205 B10R0.71 N#CCCNCCCCC=O 69b9953a332c3dac14b584126d0c4938 [1,0,0,0,0,0|2,0,1]=4 1206 B10R0.71 N#CCCOCCCCC=O 152ab39619fd8691a39fb3de68ed1030 [1,0,0,0,0,0|2,0,1]=4 1207 B10R0.71 N#CCNCCCCCC=O d8492e393a76ffaa853a50da2b9da0aa [1,0,0,0,0,0|2,0,1]=4 1208 B10R0.71 N#CCOCCCCCC=O 09f00f8627f235e55a6c44fb65d22ac3 [1,0,0,0,0,0|2,0,1]=4 1209 B10R0.71 N#CNCCCCCCC=O 946fe8a54034e927dda9755e131c14d5 [1,0,0,0,0,0|2,0,1]=4 1210 B10R0.71 NOCCNCCCCC=O b00c46a19146f802b142a2ba8cebc299 [1,0,0,0,0,0|3,0,0]=4 1211 B10R0.71 O=CCCCCCNCCBr 78a7aefd34cc88e0f0c146e2c35dddd4 [1,0,0,0,0,0|2,0,1]=4 1212 B10R0.71 O=CCCCCCNCCF 8ec67bf27bdfb4ce363f89db0d0a753a [1,0,0,0,0,0|2,0,1]=4 1213 B10R0.71 O=CCCCCCNCCI 746bf6a802a07fbe06377e7f3d05bef2 [1,0,0,0,0,0|2,0,1]=4 1214 B10R0.71 O=CCCCCCNCCO 5900fdcb8d23fb631caf7cedc101f7cc [1,0,0,0,0,0|2,0,1]=4 1215 B10R0.71 O=CCCCCCNCCS 2fb0ddc52aeddceed6eae09394c217aa [1,0,0,0,0,0|2,0,1]=4 1216 B10R0.71 O=CCCCCCOCCF 98cacaca4e8ede373811d5cde2ab4c9b [1,0,0,0,0,0|2,0,1]=4 1217 B10R0.71 O=CCCCCCOCCS 2f6108722dde7b523931d5c9372c1a36 [1,0,0,0,0,0|2,0,1]=4 1218 B10R0.71 O=CCCCCNCCCCl 66911fa23f4f0d1c07b1a30acbc0c86e [1,0,0,0,0,0|2,0,1]=4 1219 B10R0.71 O=CCCCCNCCCO 7d2ca72bf8bb26fa78069088f8a3b039 [1,0,0,0,0,0|2,0,1]=4 1220 B10R0.71 O=CCCCCOC/C=C/Cl b42f6b0b4cd8d37db0816db728f2725b [1,0,0,0,0,0|2,0,1]=4 1221 B10R0.71 O=CCCCCOC/C=C\Cl bd6d5cdc6c6a74b69415c851b31c837b [1,0,0,0,0,0|2,0,1]=4 1222 B10R0.71 O=CCCCCOCC=CCl c3ac485cecbb88ff0d79e0436fb23b3e [1,0,0,0,0,0|2,0,1]=4 1223 B10R0.71 O=CCCCCOCCC=O f086a1c6e7343671e409ad844728febd [1,0,0,0,0,0|2,0,0]=3 1224 B10R0.71 O=CCCCCOCCCF bf25fb5f7b3fbecdce38c9cebf982cae [1,0,0,0,0,0|2,0,1]=4 1225 B10R0.71 O=CCCCCOCCCS f9b289c1addeb43020e2e407709becde [1,0,0,0,0,0|2,0,1]=4 1226 B10R0.71 O=CCCCNCCCCCl 01c07df0d04c5aa249d48ab88b16983b [1,0,0,0,0,0|2,0,1]=4 1227 B10R0.71 O=CCCCNCCCCO 07eb4dce5dd254d016caf3b4b0f853f3 [1,0,0,0,0,0|2,0,1]=4 1228 B10R0.71 O=CCCCNCCCCS 84ee6a41eb689af19538015c112b5fe9 [1,0,0,0,0,0|2,0,1]=4 1229 B10R0.71 O=CCCCOCCCC=O cb5c2aaa83aa62551625ab31eca13d6d [1,0,0,0,0,0|2,0,0]=3 1230 B10R0.71 O=CCCCOCCCCF 0ae42a4b5606397824b501f68d89475f [1,0,0,0,0,0|2,0,1]=4 1231 B10R0.71 O=CCCCOCCCCS 702c1d77a7590794fcf27cd7245f71c0 [1,0,0,0,0,0|2,0,1]=4 1232 B10R0.71 O=CCCCOCCNC=O a9ab8f008dd8dd87d3709ab309f6d998 [1,0,0,0,0,0|3,0,0]=4 1233 B10R0.71 O=CCCCOCCOC=O 67024cd5fe1c389975bfbeedcd296c7c [1,0,0,0,0,0|3,0,0]=4 1234 B10R0.71 O=CCCNCCCCCCl 8c6536c28989c474ae6d35672a043025 [1,0,0,0,0,0|2,0,1]=4 1235 B10R0.71 O=CCCNCCCCCO e97db855c638d6ab4c487d701aef387d [1,0,0,0,0,0|2,0,1]=4 1236 B10R0.71 O=CCCOCCCCCF a2a70aef945b02fd2ca057b1ab953c12 [1,0,0,0,0,0|2,0,1]=4 1237 B10R0.71 O=CCCOCCOCC=O f5f16bc5db73d0f19df607b6a4452985 [1,0,0,0,0,0|3,0,0]=4 1238 B10R0.71 O=CCNCCCCCCCl 68b816c3cf0dbe44c5b6dbb1eb70e058 [1,0,0,0,0,0|2,0,1]=4 1239 B10R0.71 O=CCNCCCCCCO a01d155e25e8de1494aee669d2de79cd [1,0,0,0,0,0|2,0,1]=4 1240 B10R0.71 O=CCOCCCCCCF eb26fffba950986291b67a4251085ad8 [1,0,0,0,0,0|2,0,1]=4 1241 B10R0.71 O=CCOCCCCCCS 022fd987f7859973cf4950962786755e [1,0,0,0,0,0|2,0,1]=4 1242 B10R0.71 O=CNCCCCCCCO 862a670259a59d4910de7b21ab417c1e [1,0,0,0,0,0|2,0,1]=4 1243 B12R0.4 C#CCCCCCN(C)CC(=O)O d835dc130c92c02059edd644e996bcc7 [0,1,0,0,0,0|1,0,2]=4 1244 B12R0.4 C#CCCCCNC(C)CC(=O)O e41b2082293698e2fd3bd6eea02d3e19 [0,1,0,0,0,0|1,0,2]=4 1245 B12R0.4 C#CCCCCN[C@@H](C)CC(=O)O a73b6839394d4012aa54430dedf57b46 [0,1,0,0,0,0|1,0,2]=4 1246 B12R0.4 C#CCCCCN[C@H](C)CC(=O)O 965263e628cbb2d9a6c85575e35f0354 [0,1,0,0,0,0|1,0,2]=4 1247 B12R0.4 C#CCCCCOC(C)CC(=O)O 5b50ee41d23a252a8b23391abe5caa5e [0,1,0,0,0,0|1,0,2]=4 1248 B12R0.4 C#CCCCCO[C@@H](C)CC(=O)O 8296eb710831290bc181f561b4a1ade9 [0,1,0,0,0,0|1,0,2]=4 1249 B12R0.4 C#CCCCCO[C@H](C)CC(=O)O bb3b07ecdfef8cf37a0350960d96550e [0,1,0,0,0,0|1,0,2]=4 1250 B12R0.4 C#CCCCNCC(O)CC(=O)O 2e3f6009ccc2d231b28348b838717c17 [0,1,0,0,0,0|1,0,2]=4 1251 B12R0.4 C#CCCCNC[C@@H](O)CC(=O)O eb3ab2f036bb21b6e3f4ea06e861f3e3 [0,1,0,0,0,0|1,0,2]=4 1252 B12R0.4 C#CCCCNC[C@H](O)CC(=O)O 00ca208efffb54fb662998c5741fbf95 [0,1,0,0,0,0|1,0,2]=4 1253 B12R0.4 C#CCCNCCC(C)CC(=O)O 06c5ee2cd6d7089d474ac7d580ae7659 [0,1,0,0,0,0|1,0,2]=4 1254 B12R0.4 C#CCCOCCC(C)CC(=O)O 7f3fd5d4b2279673dc54850c54c2f774 [0,1,0,0,0,0|1,0,2]=4 1255 B12R0.4 C/C=C/CCCOC(C)CC(=O)O 08a0b57da7d096ab96926694af622c73 [0,1,0,0,0,0|1,0,2]=4 1256 B12R0.4 C/C=C/COCCC(C)CC(=O)O ea133b5a800efd50327dfcc24df0eb78 [0,1,0,0,0,0|1,0,2]=4 1257 B12R0.4 C/C=C\CCCNC(C)CC(=O)O 1bef15b001c8625aec4d866296a66e60 [0,1,0,0,0,0|1,0,2]=4 1258 B12R0.4 C/C=C\CCCN[C@@H](C)CC(=O)O 5b5168cd8339043f9078ab94f6d7749a [0,1,0,0,0,0|1,0,2]=4 1259 B12R0.4 C/C=C\CCCN[C@H](C)CC(=O)O 742c1bc5775f65b01a721330017d47af [0,1,0,0,0,0|1,0,2]=4 1260 B12R0.4 C/C=C\CCCOC(C)CC(=O)O 2a11687b62ba37c61034edc04bdf7144 [0,1,0,0,0,0|1,0,2]=4 1261 B12R0.4 C/C=C\CCCO[C@@H](C)CC(=O)O 765d0653fb67ddc4f285e35d4cda7374 [0,1,0,0,0,0|1,0,2]=4 1262 B12R0.4 C/C=C\CCCO[C@H](C)CC(=O)O 90fb449569ba3790bca1edece234f737 [0,1,0,0,0,0|1,0,2]=4 1263 B12R0.4 C/C=C\COCCC(C)CC(=O)O 2f627cdd21a7f9fc1518e3564268ffb5 [0,1,0,0,0,0|1,0,2]=4 1264 B12R0.4 C=C/C=C/CCNC(C)CC(=O)O 57acd38223cc217200c6cb8706ce8232 [0,1,0,0,0,0|1,0,2]=4 1265 B12R0.4 C=CCCCCCN(C)CC(=C)Br e7a1c3476864cf482be9466fe2f228c4 [0,1,0,0,0,0|3,0,0]=4 1266 B12R0.4 C=CCCCCCN(C)CC(=C)C 5deddaa761b645399018ac4f83332adc [0,1,0,0,0,0|3,0,0]=4 1267 B12R0.4 C=CCCCCCN(C)CC(=C)Cl 4fd7775d81d0b01d458631675b30f786 [0,1,0,0,0,0|3,0,0]=4 1268 B12R0.4 C=CCCCCCN(C)CC(=C)F 6a1d7ad870397c9b7314881b0297d545 [0,1,0,0,0,0|3,0,0]=4 1269 B12R0.4 C=CCCCCCN(C)CC(=O)N 7f207507711ee1633c5bcab4b640bf00 [0,1,0,0,0,0|2,0,0]=3 1270 B12R0.4 C=CCCCCCN(C)CC(=O)O 7b0163be4673d542d0a16f2c7bce7a52 [0,1,0,0,0,0|1,0,0]=2 1271 B12R0.4 C=CCCCCCN(C)CC(C)O f126eda5d7ddfd24c80d48c8e2d03ec4 [0,1,0,0,0,0|2,0,1]=4 1272 B12R0.4 C=CCCCCCN(C)C[C@@H](C)O 1fdc158d71c9255499eec239e2744d05 [0,1,0,0,0,0|2,0,1]=4 1273 B12R0.4 C=CCCCCCN(C)C[C@H](C)O 458893d44f391a88456152536512dedd [0,1,0,0,0,0|2,0,1]=4 1274 B12R0.4 C=CCCCCCN(C)C[N+](=O)[O-] 4c57c0ced386afda7096bcaad0b36fd6 [0,1,0,0,0,0|2,0,1]=4 1275 B12R0.4 C=CCCCCNC(=O)CC(=O)C 251def0679cb9688bc20ef72ebfaaad1 [0,1,0,0,0,0|2,0,1]=4 1276 B12R0.4 C=CCCCCNC(=O)CC(=O)N 039927049ba9c05648489d8a6d5e59eb [0,1,0,0,0,0|2,0,1]=4 1277 B12R0.4 C=CCCCCNC(C)CC(=O)O 011657a722f11601404855eb54855f57 [0,1,0,0,0,0|1,0,0]=2 1278 B12R0.4 C=CCCCCNC(C)CC(C)O 8924d39b75925e122caaa0410fa5e80f [0,1,0,0,0,0|2,0,1]=4 1279 B12R0.4 C=CCCCCNC(C)OC(=O)C 6de321427be770bbdd35e8d050d2bdd1 [0,1,0,0,0,0|3,0,0]=4 1280 B12R0.4 C=CCCCCN[C@@H](C)CC(=O)O f620bb14d3ceb4f46ac98bc6945adc4f [0,1,0,0,0,0|1,0,0]=2 1281 B12R0.4 C=CCCCCN[C@H](C)CC(=O)O 8a86baf1528b8fc13b2e2a5c69c68b60 [0,1,0,0,0,0|1,0,0]=2 1282 B12R0.4 C=CCCCCOC(C)CC(=O)N 2cc2d50c7a28e848ece743d5e15c9445 [0,1,0,0,0,0|2,0,0]=3 1283 B12R0.4 C=CCCCCOC(C)CC(=O)O ea906df2c9e4455072f639f19e5cf575 [0,1,0,0,0,0|1,0,0]=2 1284 B12R0.4 C=CCCCCOC(C)C[N+](=O)[O-] ef8ac5d116346b172e988b6f5c215e00 [0,1,0,0,0,0|2,0,1]=4 1285 B12R0.4 C=CCCCCOC(C)OC(=O)C 608fab6c9d92c21b27a7876b7692c762 [0,1,0,0,0,0|3,0,0]=4 1286 B12R0.4 C=CCCCCO[C@@H](C)CC(=O)O 93a63192a5caf8c861047d6de311ab7a [0,1,0,0,0,0|1,0,0]=2 1287 B12R0.4 C=CCCCCO[C@H](C)CC(=O)O f3785a760c326739b486d92a1ddf3650 [0,1,0,0,0,0|1,0,0]=2 1288 B12R0.4 C=CCCCNCC(=O)CC(=O)O 85d474701ff94309ccccd430b419b7ac [0,1,0,0,0,0|1,0,1]=3 1289 B12R0.4 C=CCCCNCC(O)CC(=O)O 3aca5598385efd1acee5186ae7908096 [0,1,0,0,0,0|1,0,0]=2 1290 B12R0.4 C=CCCCNC[C@@H](O)CC(=O)O 17daea0f69646b949695cc127cc0e71d [0,1,0,0,0,0|1,0,0]=2 1291 B12R0.4 C=CCCCNC[C@H](O)CC(=O)O d8fcf9745eb242d934b36a1568de736e [0,1,0,0,0,0|1,0,0]=2 1292 B12R0.4 C=CCCCOCC(=O)CC(=O)O f7f4e050cb6b2571db5148d0acbe1f66 [0,1,0,0,0,0|1,0,1]=3 1293 B12R0.4 C=CCCCOCC(C)NC(=O)C 7770ea48f7368b43caa1efd789312afa [0,1,0,0,0,0|3,0,0]=4 1294 B12R0.4 C=CCCCOC[C@@H](C)NC(=O)C f94353372cb5e6615e0d9a23ab0f39bd [0,1,0,0,0,0|3,0,0]=4 1295 B12R0.4 C=CCCNCCC(C)CC(=O)O ab8d4ede9681303f78896d9504a166e4 [0,1,0,0,0,0|1,0,0]=2 1296 B12R0.4 C=CCCOCCC(C)CC(=O)O 9d2b8766ec04219aa6f6f4c65addc0bf [0,1,0,0,0,0|1,0,0]=2 1297 B12R0.4 C=CCCOCCN(C)CC(=O)C 28f5fab1b410eb0aff98761c782e3695 [0,1,0,0,0,0|3,0,0]=4 1298 B12R0.4 C=CCCOCCN(C)CC(=O)O 61a87835f8f2bda812e49f9d6f7133c7 [0,1,0,0,0,0|2,0,0]=3 1299 B12R0.4 C=CCOCCNC(C)CC(=O)O 49767d2ebb0db43c1a623f5c69fcbae4 [0,1,0,0,0,0|2,0,0]=3 1300 B12R0.4 C=CCOCCN[C@@H](C)CC(=O)O 05aa691659972c2053afcaf461287a88 [0,1,0,0,0,0|2,0,0]=3 1301 B12R0.4 C=CCOCCN[C@H](C)CC(=O)O ee0d8e0fe4016ebf3e38a58cc7968d75 [0,1,0,0,0,0|2,0,0]=3 1302 B12R0.4 C=CCOCCOC(C)CC(=O)N ca4b0411bfcfaa3d42385be5f54df330 [0,1,0,0,0,0|3,0,0]=4 1303 B12R0.4 C=CCOCCOC(C)CC(=O)O 906f68d652670484d39aec4264ae5d64 [0,1,0,0,0,0|2,0,0]=3 1304 B12R0.4 C=CCOCCO[C@@H](C)CC(=O)O 721578a4b5bc74ad7b6fe50edc1e2a34 [0,1,0,0,0,0|2,0,0]=3 1305 B12R0.4 C=CCOCCO[C@H](C)CC(=O)O 704c56ef3af6b77e0cc382d8282a592b [0,1,0,0,0,0|2,0,0]=3 1306 B12R0.4 C=COCCCNC(C)CC(=O)O 3d8c7b77cd4805669f68084c7ab9c2da [0,1,0,0,0,0|2,0,0]=3 1307 B12R0.4 C=COCCNCC(=O)CC(=O)O 37ba7ffbad401e2d3539313b82ca1995 [0,1,0,0,0,0|2,0,1]=4 1308 B12R0.4 C=COCCOCC(=O)CC(=O)O 81bc432830af80297791f21dcef29216 [0,1,0,0,0,0|2,0,1]=4 1309 B12R0.4 CC(CC(=O)N)OCCCCC=O 966599f2ccd49be6d8ca00af6629a283 [0,1,0,0,0,0|3,0,0]=4 1310 B12R0.4 CC(CC(=O)O)NCCCCC#N c2a36bfa206cd2f33a8771406cee0c6f [0,1,0,0,0,0|2,0,1]=4 1311 B12R0.4 CC(CC(=O)O)NCCCCC=O 41a6caba8fed4e8d07d23ffc32658800 [0,1,0,0,0,0|2,0,0]=3 1312 B12R0.4 CC(CC(=O)O)NCCCCCCl a462dacafba94ef6eac2239645bbd216 [0,1,0,0,0,0|2,0,1]=4 1313 B12R0.4 CC(CC(=O)O)NCCCCCF 407eaa4426559b2c4e0e9b72b6ae08a7 [0,1,0,0,0,0|2,0,1]=4 1314 B12R0.4 CC(CC(=O)O)NCCCCCO f7c8c3534f2fd5f5d5f312dfcce774d9 [0,1,0,0,0,0|2,0,1]=4 1315 B12R0.4 CC(CC(=O)O)NCCCCON fea76bcf711f63c8b4c40a5963ed5fce [0,1,0,0,0,0|3,0,0]=4 1316 B12R0.4 CC(CC(=O)O)NCCOCC=O 8734c587aafcd97e402b2f0328aa94d5 [0,1,0,0,0,0|3,0,0]=4 1317 B12R0.4 CC(CC(=O)O)OCCCCC#N 05a69664982cf3769389e40e28db0563 [0,1,0,0,0,0|2,0,1]=4 1318 B12R0.4 CC(CC(=O)O)OCCCCC=O 3c51eac4c6f285b45e3b4cd0b8f666b6 [0,1,0,0,0,0|2,0,0]=3 1319 B12R0.4 CC(CC(=O)O)OCCCCCF 5e484f4806e088847a7e27c690c2ec17 [0,1,0,0,0,0|2,0,1]=4 1320 B12R0.4 CC(CC(=O)O)OCCOCC=O 1510ab76546ecab5d93610e0f317fc77 [0,1,0,0,0,0|3,0,0]=4 1321 B12R0.4 CC(CCNCCC#N)CC(=O)O c7bb4c7ddeb5b6e87a2d7249df85f85e [0,1,0,0,0,0|2,0,1]=4 1322 B12R0.4 CC(CCNCCCCl)CC(=O)O 287914334f574cdb211793d0b852b525 [0,1,0,0,0,0|2,0,1]=4 1323 B12R0.4 CC(CCNCCCO)CC(=O)O 2fdf77f1ee5ddb3aeab5e967728bbbc8 [0,1,0,0,0,0|2,0,1]=4 1324 B12R0.4 CC(CCNCCON)CC(=O)O 9563aa5c107b387852cc6c2c7229459c [0,1,0,0,0,0|3,0,0]=4 1325 B12R0.4 CC(CCOC/C=C/Cl)CC(=O)O 42609552e4d7a67011ae0e81e0ad48cf [0,1,0,0,0,0|2,0,1]=4 1326 B12R0.4 CC(CCOCC=CCl)CC(=O)O e0a4dae35573192120e91f9d682305c1 [0,1,0,0,0,0|2,0,1]=4 1327 B12R0.4 CC(CCOCCC#N)CC(=O)O dff9d231373cb63faf5ed152f7c2d0c3 [0,1,0,0,0,0|2,0,1]=4 1328 B12R0.4 CC(CCOCCC=O)CC(=O)O 452ed6683c9363b9193d971c61886ebd [0,1,0,0,0,0|2,0,0]=3 1329 B12R0.4 CC(CCOCCCF)CC(=O)O 50d5391eb3471f023e52f1c567162e5c [0,1,0,0,0,0|2,0,1]=4 1330 B12R0.4 CC(CCOCCCS)CC(=O)O df2e24b5096ee9a973c650779a8dba23 [0,1,0,0,0,0|2,0,1]=4 1331 B12R0.4 CC=CCCCOC(C)CC(=O)O a83c11655e0b20c984db7c6e59517262 [0,1,0,0,0,0|1,0,2]=4 1332 B12R0.4 CC=CCNCCC(C)CC(=O)O ca9f05de0db12eeb0c1af8755a4f8470 [0,1,0,0,0,0|1,0,2]=4 1333 B12R0.4 CC=CCOCCC(C)CC(=O)O 23c0c92b5817e47439d119b18520ed7a [0,1,0,0,0,0|1,0,2]=4 1334 B12R0.4 CCCCCCCN(C)CC(=O)O 2a8ec6178d231ca3a2022f1eba3a0975 [0,1,0,0,0,0|1,0,2]=4 1335 B12R0.4 CCCCCCNC(C)CC(=O)O 1d4cde652ab467548cd9a30d2c612ac0 [0,1,0,0,0,0|1,0,2]=4 1336 B12R0.4 CCCCCCN[C@@H](C)CC(=O)O 8deb71992734c69dcd2dee032cb8ec29 [0,1,0,0,0,0|1,0,2]=4 1337 B12R0.4 CCCCCCN[C@H](C)CC(=O)O 911234cd7e78f2330ebe0fdd8a8635af [0,1,0,0,0,0|1,0,2]=4 1338 B12R0.4 CCCCCCOC(C)CC(=O)O f4225b3e766040640b9fd17cd888aef0 [0,1,0,0,0,0|1,0,2]=4 1339 B12R0.4 CCCCCCO[C@@H](C)CC(=O)O e05a932cee4ddf9217b161d7af5fa013 [0,1,0,0,0,0|1,0,2]=4 1340 B12R0.4 CCCCCCO[C@H](C)CC(=O)O e81e1d5ef086ae65fd4d151e3abf1732 [0,1,0,0,0,0|1,0,2]=4 1341 B12R0.4 CCCCCNCC(O)CC(=O)O 642caecef057faea07b0e6f4c31f6ecd [0,1,0,0,0,0|1,0,2]=4 1342 B12R0.4 CCCCCNC[C@@H](O)CC(=O)O ba98d93aac74f49d69884cd63cd1d5f0 [0,1,0,0,0,0|1,0,2]=4 1343 B12R0.4 CCCCCNC[C@H](O)CC(=O)O 28bca3202b26d0b57f55175bc12bc7c7 [0,1,0,0,0,0|1,0,2]=4 1344 B12R0.4 CCCCNCCC(C)CC(=O)O 55bb5acd90b3edf10f904ac2640ffbdf [0,1,0,0,0,0|1,0,2]=4 1345 B12R0.4 CCCCOCCC(C)CC(=O)O 06fc54d24c270dc9b96451c515f7662e [0,1,0,0,0,0|1,0,2]=4 1346 B12R0.4 CN(CCCCCC#N)CC(=O)O 6757997e2a22a75244780a17b6e14702 [0,1,0,0,0,0|2,0,1]=4 1347 B12R0.4 CN(CCCCCC=O)CC(=O)N 9c72cbb46a3f29469443a68bdf46bcf7 [0,1,0,0,0,0|3,0,0]=4 1348 B12R0.4 CN(CCCCCC=O)CC(=O)O af99a14db14fe9ab74e9fdeb25654556 [0,1,0,0,0,0|2,0,0]=3 1349 B12R0.4 CN(CCCCCCF)CC(=O)O cf4a662bbdd19cbb55b878322ca4f6f9 [0,1,0,0,0,0|2,0,1]=4 1350 B12R0.4 CN(CCCCCCO)CC(=O)O 84d6f16911eb417c51ebc18f4dd8930f [0,1,0,0,0,0|2,0,1]=4 1351 B12R0.4 CN(CCOCCC=O)CC(=O)O 66ad7fd06482e825ecf0f4e8ced088b0 [0,1,0,0,0,0|3,0,0]=4 1352 B12R0.4 COCCCCCN(C)CC(=O)O b052d4ee4478b1f3b616d703ff66593a [0,1,0,0,0,0|2,0,1]=4 1353 B12R0.4 COCCCCNC(C)CC(=O)O 95c416535cdf61a0be4e6e0995fb134a [0,1,0,0,0,0|2,0,1]=4 1354 B12R0.4 COCCCCN[C@@H](C)CC(=O)O 98ccd246c8b8e03775c23c2b59e37379 [0,1,0,0,0,0|2,0,1]=4 1355 B12R0.4 COCCCCN[C@H](C)CC(=O)O 5121726ef4ebaf81e72d888e333eab61 [0,1,0,0,0,0|2,0,1]=4 1356 B12R0.4 COCCCCOC(C)CC(=O)O ab2e00fccd247cdf852a65c914b377fb [0,1,0,0,0,0|2,0,1]=4 1357 B12R0.4 COCCCCO[C@@H](C)CC(=O)O 6d9136ca2eef4a75b3dc6e200028da0d [0,1,0,0,0,0|2,0,1]=4 1358 B12R0.4 COCCCCO[C@H](C)CC(=O)O 3d912bfc16bb21d7a2053828778deeae [0,1,0,0,0,0|2,0,1]=4 1359 B12R0.4 COCCCNCC(O)CC(=O)O b11463caf2b6b4dd45b69009bfd009c3 [0,1,0,0,0,0|2,0,1]=4 1360 B12R0.4 COCCCNC[C@@H](O)CC(=O)O 7982893491738863dd611c2b062c48c2 [0,1,0,0,0,0|2,0,1]=4 1361 B12R0.4 COCCCNC[C@H](O)CC(=O)O ee73b7f513c1b8beab4bd1b60bc71947 [0,1,0,0,0,0|2,0,1]=4 1362 B12R0.4 COCCNCCC(C)CC(=O)O 1dc31c265a44c56d00a4d3b9988cec4f [0,1,0,0,0,0|2,0,1]=4 1363 B12R0.4 COCCOCCC(C)CC(=O)O 6e32ae1381d431ea95e9abfff19494d9 [0,1,0,0,0,0|2,0,1]=4 1364 B12R0.4 CSCCCCNC(C)CC(=O)O 2e701c99f4be568ddabbf445f6a4d79c [0,1,0,0,0,0|2,0,1]=4 1365 B12R0.4 CSCCCNCC(O)CC(=O)O 705022a7f62685db0c6af0651853ea6a [0,1,0,0,0,0|2,0,1]=4 1366 B12R0.4 CSCCCNC[C@@H](O)CC(=O)O 52aeb26ed43c0b646cb79a3302affcb8 [0,1,0,0,0,0|2,0,1]=4 1367 B12R0.4 CSCCCNC[C@H](O)CC(=O)O 12ed5daa4aa2fce1c3abcffdf46608a3 [0,1,0,0,0,0|2,0,1]=4 1368 B12R0.4 CSCCNCCC(C)CC(=O)O bbec57efae6fb2b82fd7e3cdf08f7a96 [0,1,0,0,0,0|2,0,1]=4 1369 B12R0.4 CSCCOCCC(C)CC(=O)O 1e1185468fb16f32137468a1650d125b [0,1,0,0,0,0|2,0,1]=4 1370 B12R0.4 C[C@@H](CC(=O)O)NCCCCC#N 89872a29458b63d06fc9554fbbd2991e [0,1,0,0,0,0|2,0,1]=4 1371 B12R0.4 C[C@@H](CC(=O)O)NCCCCC=O f73ae40972c8b8913ef0d1cd49dc6ad9 [0,1,0,0,0,0|2,0,0]=3 1372 B12R0.4 C[C@@H](CC(=O)O)NCCCCCF 3b6a6f8106b5c1545f78fb729ef2411a [0,1,0,0,0,0|2,0,1]=4 1373 B12R0.4 C[C@@H](CC(=O)O)NCCCCCO 3576e6eef03a8187c1bacabdcb65fcb3 [0,1,0,0,0,0|2,0,1]=4 1374 B12R0.4 C[C@@H](CC(=O)O)NCCCCON fc950764f0941d933ad95289599f0c3a [0,1,0,0,0,0|3,0,0]=4 1375 B12R0.4 C[C@@H](CC(=O)O)NCCOCC=O fae6e0e96b21007ad714f698a21eb509 [0,1,0,0,0,0|3,0,0]=4 1376 B12R0.4 C[C@@H](CC(=O)O)OCCCCC#N 63193383bc0f2401f1c91b0211ad22fc [0,1,0,0,0,0|2,0,1]=4 1377 B12R0.4 C[C@@H](CC(=O)O)OCCCCC=O a9d3c86e1a7d5989d46bdd926765f8ea [0,1,0,0,0,0|2,0,0]=3 1378 B12R0.4 C[C@@H](CC(=O)O)OCCCCCF 5365e4554edb45488429ecf2c79def09 [0,1,0,0,0,0|2,0,1]=4 1379 B12R0.4 C[C@@H](CC(=O)O)OCCOCC=O c9aef2854650f953d579da2bd6974e32 [0,1,0,0,0,0|3,0,0]=4 1380 B12R0.4 C[C@H](CC(=O)O)NCCCCC#N 06c918fc68b6aaa609f019918cc54ccc [0,1,0,0,0,0|2,0,1]=4 1381 B12R0.4 C[C@H](CC(=O)O)NCCCCC=O 2b1be3c7ff3d4d17f77204ec4532f4b7 [0,1,0,0,0,0|2,0,0]=3 1382 B12R0.4 C[C@H](CC(=O)O)NCCCCCF 9b67abf7c888b107258b45d16ec231ee [0,1,0,0,0,0|2,0,1]=4 1383 B12R0.4 C[C@H](CC(=O)O)NCCCCCO 0b8ad93eadb4d50d8b5c3648103192ef [0,1,0,0,0,0|2,0,1]=4 1384 B12R0.4 C[C@H](CC(=O)O)NCCCCON 75228a23c1c055e136f29b9f2b0bdc06 [0,1,0,0,0,0|3,0,0]=4 1385 B12R0.4 C[C@H](CC(=O)O)NCCOCC=O 375c7726893f672cf098f6e0d0a223ab [0,1,0,0,0,0|3,0,0]=4 1386 B12R0.4 C[C@H](CC(=O)O)OCCCCC#N c028882140a6cafe22a41f2ac47f5d33 [0,1,0,0,0,0|2,0,1]=4 1387 B12R0.4 C[C@H](CC(=O)O)OCCCCC=O c64aed5ffb8968db343668978832c1ec [0,1,0,0,0,0|2,0,0]=3 1388 B12R0.4 C[C@H](CC(=O)O)OCCCCCF def534e35b975094a879a94b7ce48157 [0,1,0,0,0,0|2,0,1]=4 1389 B12R0.4 C[C@H](CC(=O)O)OCCOCC=O f0251ca11516db51732a2b5e7b97a301 [0,1,0,0,0,0|3,0,0]=4 1390 B12R0.4 N#CCCCNCC(O)CC(=O)O 07ec365eb3cb157827f1d998dbe2c40a [0,1,0,0,0,0|2,0,1]=4 1391 B12R0.4 N#CCCCNC[C@@H](O)CC(=O)O 36d4dd16d0e6cf73f53988e5dbd5cd58 [0,1,0,0,0,0|2,0,1]=4 1392 B12R0.4 N#CCCCNC[C@H](O)CC(=O)O b380e82ba301bd3018d7854ae221ad76 [0,1,0,0,0,0|2,0,1]=4 1393 B12R0.4 O=C(O)CC(O)CNCCCCF df96cb5c83d09ec0af60651e13379a82 [0,1,0,0,0,0|2,0,1]=4 1394 B12R0.4 O=C(O)CC(O)CNCCCCO db82c214a4235ec1cdd9e567a33bf52c [0,1,0,0,0,0|2,0,1]=4 1395 B12R0.4 O=C(O)C[C@@H](O)CNCCCCF 5d92d7683946a9d9e7baa0db6ef977e9 [0,1,0,0,0,0|2,0,1]=4 1396 B12R0.4 O=C(O)C[C@@H](O)CNCCCCO a65509f525b4e36da4188f41b80450d5 [0,1,0,0,0,0|2,0,1]=4 1397 B12R0.4 O=C(O)C[C@H](O)CNCCCCF 29b71a4e3a2cd3be641a3504d34f6c57 [0,1,0,0,0,0|2,0,1]=4 1398 B12R0.4 O=C(O)C[C@H](O)CNCCCCO 0e45effd267cc2ae37184c1d56fc8ca9 [0,1,0,0,0,0|2,0,1]=4 1399 B12R0.4 O=CCCCNCC(O)CC(=O)O 76169498263b9423ecd1a0bea4b36668 [0,1,0,0,0,0|2,0,0]=3 1400 B12R0.4 O=CCCCNC[C@@H](O)CC(=O)O 9695f7d137b290c554591eec9faf0988 [0,1,0,0,0,0|2,0,0]=3 1401 B12R0.4 O=CCCCNC[C@H](O)CC(=O)O 29a6722ee2b0d7f9892f236908c0e83e [0,1,0,0,0,0|2,0,0]=3 1402 B12R0.4 O=CCCCOCC(=O)CC(=O)O 1e48dc28838687a9853d17a939e7d914 [0,1,0,0,0,0|2,0,1]=4 1403 B12R0.95 C#CCCN(C)CCCCC(=O)O aa6a4e71e1649f0b216c4ba3864cefcd [0,1,0,0,0,0|1,0,2]=4 1404 B12R0.95 C/C=C/CN(C)CCCCC(=O)O 3920f71394c933eda0fe67ab474493df [0,1,0,0,0,0|1,0,2]=4 1405 B12R0.95 C/C=C\CN(C)CCCCC(=O)O 994e9a4a0738ce1209788136a6182d81 [0,1,0,0,0,0|1,0,2]=4 1406 B12R0.95 C=CCCC(=O)NCCCC(=O)N 2f76c506576905a9eac6af425516b4b5 [0,1,0,0,0,0|2,0,1]=4 1407 B12R0.95 C=CCCC(C)NC/C=C/C(=O)O 7e9344f6535735db619821ba46696111 [0,1,0,0,0,0|1,0,2]=4 1408 B12R0.95 C=CCCC(C)NCC#CC(=O)O 73f0579bc51eb5d5dd5882edde500d69 [0,1,0,0,0,0|1,0,2]=4 1409 B12R0.95 C=CCCC(C)NCC=CC(=O)O 7d1ce3a5d77a40f7504efe51ff02cc81 [0,1,0,0,0,0|1,0,2]=4 1410 B12R0.95 C=CCCC(C)NCCCC(=O)N 02900571d2ff78273287d515b7dae04c [0,1,0,0,0,0|2,0,0]=3 1411 B12R0.95 C=CCCC(C)NCCCC(=O)O a3f9fbc6310d990684ecda4a282a1538 [0,1,0,0,0,0|1,0,0]=2 1412 B12R0.95 C=CCCC(C)NCCCS(=O)C 637a0ae5a06672f57692cd7afff70722 [0,1,0,0,0,0|3,0,0]=4 1413 B12R0.95 C=CCCC(C)NCCNC(=O)C 30d11b1db0441e7e312cdc247c9e9ab5 [0,1,0,0,0,0|3,0,0]=4 1414 B12R0.95 C=CCCC(C)OC/C=C/C(=O)O e5b31b7d06f04fd4438d471f7ed21bc4 [0,1,0,0,0,0|1,0,2]=4 1415 B12R0.95 C=CCCC(C)OCC#CC(=O)O 7831cf8d7464788d2dcace451d71c57e [0,1,0,0,0,0|1,0,2]=4 1416 B12R0.95 C=CCCC(C)OCC=CC(=O)O 0b2530223c2baf29dd15739a245eacbd [0,1,0,0,0,0|1,0,2]=4 1417 B12R0.95 C=CCCC(C)OCCCC(=C)C 6b725091c42c87ca299a6c66bd71b082 [0,1,0,0,0,0|3,0,0]=4 1418 B12R0.95 C=CCCC(C)OCCCC(=O)C 84947ac357899fd8ef9b125e2cc27921 [0,1,0,0,0,0|2,0,0]=3 1419 B12R0.95 C=CCCC(C)OCCCC(=O)N c540eed3eeef7e0e8ac8d4b83b5d487d [0,1,0,0,0,0|2,0,0]=3 1420 B12R0.95 C=CCCC(C)OCCCC(=O)O 18211c52fb7321a04d74dac5e9cdb8d7 [0,1,0,0,0,0|1,0,0]=2 1421 B12R0.95 C=CCCC(C)OCCC[N+](=O)[O-] 4f12b02c9a906c01677f9fd3aa441f0d [0,1,0,0,0,0|2,0,1]=4 1422 B12R0.95 C=CCCC(C)OCCNC(=O)C bd4706c393da4f23569a047b48db8e89 [0,1,0,0,0,0|3,0,0]=4 1423 B12R0.95 C=CCCC(C)OCCNC(=O)N df8cd243014e65723b6184aed847d9d2 [0,1,0,0,0,0|3,0,0]=4 1424 B12R0.95 C=CCCC(C)OCCOC(=O)C c5a0235bd969b3c6f514b0983675bbaf [0,1,0,0,0,0|3,0,0]=4 1425 B12R0.95 C=CCCC(C)OCCSC(=O)C 09378049111d3bc2f406cd353d83a80a [0,1,0,0,0,0|3,0,0]=4 1426 B12R0.95 C=CCCC(O)CNCCC(=C)C 7502983150af89987e6a52d2b986d2bf [0,1,0,0,0,0|3,0,0]=4 1427 B12R0.95 C=CCCC(O)CNCCC(=O)C 9f00a2686d636801830b59ff117e2ec5 [0,1,0,0,0,0|2,0,0]=3 1428 B12R0.95 C=CCCC(O)CNCCC(=O)N 55cfe8ab12bd2c1792dbb271170da956 [0,1,0,0,0,0|2,0,0]=3 1429 B12R0.95 C=CCCC(O)CNCCC(=O)O 866fe5acb09484fca86634b7c7a9263a [0,1,0,0,0,0|1,0,0]=2 1430 B12R0.95 C=CCCC(O)CNCCC(C)O 306f72b79dc8ba1917ec16aff24cf9a5 [0,1,0,0,0,0|2,0,1]=4 1431 B12R0.95 C=CCCC(O)CNCCS(=O)C 431532f3088e8a3be0ccb667e93fb092 [0,1,0,0,0,0|3,0,0]=4 1432 B12R0.95 C=CCCC(O)CNCOC(=O)C 2cbb8d649ead4ddd5402d5be8218dfcd [0,1,0,0,0,0|3,0,0]=4 1433 B12R0.95 C=CCCC(O)CNCSC(=O)N 7615ffdf45d02abf0a7249d2abc0c3ba [0,1,0,0,0,0|3,0,0]=4 1434 B12R0.95 C=CCCN(C)CCCCC(=O)C 8a6e2d2c642f867cd4cdf147ddb2b80c [0,1,0,0,0,0|2,0,0]=3 1435 B12R0.95 C=CCCN(C)CCCCC(=O)N 2ec36eb5f3263475539019d0dfd9af93 [0,1,0,0,0,0|2,0,0]=3 1436 B12R0.95 C=CCCN(C)CCCCC(=O)O 387a56d59384997ec82e976a0b1f5389 [0,1,0,0,0,0|1,0,0]=2 1437 B12R0.95 C=CCCN(C)CCCCC(C)O d684a01cd67edc8330ebe21e1c382795 [0,1,0,0,0,0|2,0,1]=4 1438 B12R0.95 C=CCCN(C)CCCC[C@@H](C)O 003aac7a4bf32ee9e2c59b70bcad3785 [0,1,0,0,0,0|2,0,1]=4 1439 B12R0.95 C=CCCN(C)CCCNC(=O)C 18caddd369c2cc3c42151a9a9baa1ddb [0,1,0,0,0,0|3,0,0]=4 1440 B12R0.95 C=CCCN(C)CCCOC(=O)C 2801aa9f1f2cec174d3478b67f6cadd8 [0,1,0,0,0,0|3,0,0]=4 1441 B12R0.95 C=CCCN(C)CCCSC(=O)C 59aa306d06044c42fd880f980e0a2ded [0,1,0,0,0,0|3,0,0]=4 1442 B12R0.95 C=CCCN(C)CCOCC(=O)N 29e5ce3681c4fbda6a58a07c1d4105a1 [0,1,0,0,0,0|3,0,0]=4 1443 B12R0.95 C=CCCN(C)CCOCC(=O)O 8bb763c6289b1221078bc00e2a10866c [0,1,0,0,0,0|2,0,0]=3 1444 B12R0.95 C=CCC[C@@H](C)OC/C=C/C(=O)O 0b26f75c9ba8eb2cd44972240b720dd6 [0,1,0,0,0,0|1,0,2]=4 1445 B12R0.95 C=CCC[C@@H](C)OCC=CC(=O)O d3255eb062f225fcf3e2e17bfb25a55e [0,1,0,0,0,0|1,0,2]=4 1446 B12R0.95 C=CCC[C@@H](C)OCCCC(=C)C 37b74228dae67081419f5e1be0113916 [0,1,0,0,0,0|3,0,0]=4 1447 B12R0.95 C=CCC[C@@H](C)OCCCC(=O)C 9ebf63318e2bf3601726e62f015531f5 [0,1,0,0,0,0|2,0,0]=3 1448 B12R0.95 C=CCC[C@@H](C)OCCCC(=O)N 070c278aec80d562f57bd8800a36b973 [0,1,0,0,0,0|2,0,0]=3 1449 B12R0.95 C=CCC[C@@H](C)OCCCC(=O)O daccc75434ca79990317e4ed797ae342 [0,1,0,0,0,0|1,0,0]=2 1450 B12R0.95 C=CCC[C@@H](C)OCCC[N+](=O)[O-] 6a083fdb13c6b7f207eee412b718c432 [0,1,0,0,0,0|2,0,1]=4 1451 B12R0.95 C=CCC[C@@H](C)OCCNC(=O)C b68d7f6d1fa2c814460f197d04ea570e [0,1,0,0,0,0|3,0,0]=4 1452 B12R0.95 C=CCC[C@@H](C)OCCNC(=O)N db8724d295fd116a657f9bf6e46a4fe1 [0,1,0,0,0,0|3,0,0]=4 1453 B12R0.95 C=CCC[C@@H](C)OCCOC(=O)C 4ce65e5072904d7dd0405b91a57d9953 [0,1,0,0,0,0|3,0,0]=4 1454 B12R0.95 C=CCC[C@@H](C)OCCSC(=O)C c44c4162b7676b567ddc75bc659bb8f3 [0,1,0,0,0,0|3,0,0]=4 1455 B12R0.95 C=CCC[C@@H](O)CNCCC(=C)C e534f4d492f51e9516e937ab9275d30e [0,1,0,0,0,0|3,0,0]=4 1456 B12R0.95 C=CCC[C@@H](O)CNCCC(=O)N 4e10d7e63926cad7420379282a2adc5d [0,1,0,0,0,0|2,0,0]=3 1457 B12R0.95 C=CCC[C@@H](O)CNCCC(=O)O f523bf068ab9f58a249dc4c67d27b783 [0,1,0,0,0,0|1,0,0]=2 1458 B12R0.95 C=CCC[C@@H](O)CNCCC(=S)N a9bca76468cb108adbfdd283dc6eb3e9 [0,1,0,0,0,0|2,1,0]=4 1459 B12R0.95 C=CCC[C@@H](O)CNCCC(C)O 18f612dab31f3e05fe0f4b3cc52a9d4f [0,1,0,0,0,0|2,0,1]=4 1460 B12R0.95 C=CCC[C@@H](O)CNCCS(=O)C def8e19371259ab86e9d7d1f321a8a74 [0,1,0,0,0,0|3,0,0]=4 1461 B12R0.95 C=CCC[C@@H](O)CNCCS(=O)O e0e6702968fc7708e551e7ae1964e9c5 [0,1,0,0,0,0|2,0,0]=3 1462 B12R0.95 C=CCC[C@@H](O)CNCC[C@@H](C)O 2fe13ac46635c173a5aab4ad1b3ffc92 [0,1,0,0,0,0|2,0,1]=4 1463 B12R0.95 C=CCC[C@@H](O)CNCC[C@H](C)O e4a303e5933f8a73ee9992661dc1e079 [0,1,0,0,0,0|2,0,1]=4 1464 B12R0.95 C=CCNC(=O)CCNCC(=O)O aac2f46c5fcffdd71eb9699c58e70751 [0,1,0,0,0,0|2,0,1]=4 1465 B12R0.95 C=CCNC(=O)CCOCC(=O)O 918cf3f72dc634d228745607395b2106 [0,1,0,0,0,0|2,0,1]=4 1466 B12R0.95 C=CCNC(=O)CNCCC(=O)O f13e1d25e5b8203a5c31a73543a841e1 [0,1,0,0,0,0|2,0,1]=4 1467 B12R0.95 C=CCNC(=O)COCCC(=O)O bacc4ddda559f9bc2c73e6587cb3cc49 [0,1,0,0,0,0|2,0,1]=4 1468 B12R0.95 C=CCOC(=O)CNCCC(=O)O 2a7a1596a8ae0468cb056d72237c8f8a [0,1,0,0,0,0|2,0,1]=4 1469 B12R0.95 C=CCOC(=O)COCCC(=O)O 952181a51ada328dd63d285fd48ef9c9 [0,1,0,0,0,0|2,0,1]=4 1470 B12R0.95 CC(CCCO)NCCCC(=O)O 01587ade6b270351301c083f7f6dc396 [0,1,0,0,0,0|2,0,1]=4 1471 B12R0.95 CCCCC(C)CCOCC(=O)O 9ccda33f86cf11ccf4af02c94bbe2cf3 [0,1,0,0,0,0|1,0,2]=4 1472 B12R0.95 CCCCC(C)COCCC(=O)O fca2c5198f248b4dcaf925188fefa01b [0,1,0,0,0,0|1,0,2]=4 1473 B12R0.95 CCCCC(C)NCCCC(=O)O ada8796f86ae13890572646b7e33d2f1 [0,1,0,0,0,0|1,0,2]=4 1474 B12R0.95 CCCCC(O)CNCCC(=O)O edaa209c6cdfffef2f4ab0bacfadf900 [0,1,0,0,0,0|1,0,2]=4 1475 B12R0.95 CCCCN(C)CCCCC(=O)O ae50391429c6ceafa5a2df2c6d29aea7 [0,1,0,0,0,0|1,0,2]=4 1476 B12R0.95 CN(C/C=C/Cl)CCCCC(=O)O 1edf1e43379d534130e0b2d72e4cac58 [0,1,0,0,0,0|2,0,1]=4 1477 B12R0.95 CN(C/C=C\Cl)CCCCC(=O)O 61e95789b9aaf702b9b836685383403b [0,1,0,0,0,0|2,0,1]=4 1478 B12R0.95 CN(C/C=C\O)CCCCC(=O)O bb34e3cddad1835959103ceae6fe3769 [0,1,0,0,0,0|2,0,1]=4 1479 B12R0.95 CN(CCC#N)CCCCC(=O)O 2e7110ff8441fba79920f7e04836cb04 [0,1,0,0,0,0|2,0,1]=4 1480 B12R0.95 CN(CCC=O)CCCCC(=O)O 22ee7f1b2c582e06c87c998b8d1e9ddd [0,1,0,0,0,0|2,0,0]=3 1481 B12R0.95 CN(CCCF)CCCCC(=O)O fe1a8c6db09f88b1c201715eb1b9f851 [0,1,0,0,0,0|2,0,1]=4 1482 B12R0.95 CN(CCCO)CCCCC(=O)O 2f4d4710daaecb2a90f38acacbe90b69 [0,1,0,0,0,0|2,0,1]=4 1483 B12R0.95 CN(CCCS)CCCCC(=O)O a978a8c7c68f369b1c2ed3b72cba2ec3 [0,1,0,0,0,0|2,0,1]=4 1484 B12R0.95 COCCN(C)CCCCC(=O)O a8dd521579d4abef98f738db7029c6fa [0,1,0,0,0,0|2,0,1]=4 1485 B12R0.95 CSCCN(C)CCCCC(=O)O 0ca556dfe6667db594a051c3a874d684 [0,1,0,0,0,0|2,0,1]=4 1486 B12R0.95 C[C@H](CCCO)CNCCC(=O)O 6f065f22221bf27c4626f0da7829cee4 [0,1,0,0,0,0|2,0,1]=4 1487 B12R0.95 C[C@H](CCCO)NCCCC(=O)O 1e33641395cb8612759c5579e8e670bb [0,1,0,0,0,0|2,0,1]=4 1488 B12R0.119 C=CCCCCCNCC(C)(C)O b59c4fc5eccff1e9d91768d55a5d4dfd [0,1,0,0,0,0|2,0,1]=4 1489 B12R0.119 C=CCCCCCNCS(=O)(=O)C 935c8e3bb5b57aed6e8c1d9328300ec2 [0,1,0,0,0,0|2,0,1]=4 1490 B12R0.119 C=CCCCCCNCS(=O)(=O)N d70571501163c9874587e1eec5b7cdf4 [0,1,0,0,0,0|2,0,1]=4 1491 B12R0.119 C=CCCCCCNCS(=O)(=O)O c99ae6d27c0c678be20d8851184acb1f [0,1,0,0,0,0|2,0,0]=3 1492 B12R0.119 C=CCCCCCOCC(C)(C)O aaffd6cd5553a6a2d2003b452638d570 [0,1,0,0,0,0|2,0,1]=4 1493 B12R0.119 C=CCCCCCOCS(=O)(=O)C 16aee429e94d011bfb9f84d03549d1fb [0,1,0,0,0,0|2,0,1]=4 1494 B12R0.119 C=CCCCCCOCS(=O)(=O)N 011769532900e8fed67bf285758163c5 [0,1,0,0,0,0|2,0,1]=4 1495 B12R0.119 C=CCCCCCOCS(=O)(=O)O 06d52d82660c7bf25c950b9c65c027fa [0,1,0,0,0,0|2,0,0]=3 1496 B12R0.119 C=CCCCCNCCC(C)(C)O 2f30fb0fc609b7ed12baa6a67330b3c1 [0,1,0,0,0,0|2,0,1]=4 1497 B12R0.119 C=CCCCCNCCS(=O)(=O)C e1300d128831bf1e9c3299c170a21907 [0,1,0,0,0,0|2,0,1]=4 1498 B12R0.119 C=CCCCCNCCS(=O)(=O)N 1c745560ffe2981ac2503d51c0ab78f3 [0,1,0,0,0,0|2,0,1]=4 1499 B12R0.119 C=CCCCCNCCS(=O)(=O)O eaca527c4747879f576334588c1650db [0,1,0,0,0,0|2,0,0]=3 1500 B12R0.119 C=CCCCCOCCC(C)(C)O 9bc125d698850ae0fe6fff0bc31d1a8f [0,1,0,0,0,0|2,0,1]=4 1501 B12R0.119 C=CCCCCOCCS(=N)(=O)C f356ebb95ccd37e86b1ebc71a3c7c751 [0,1,0,0,0,0|3,0,0]=4 1502 B12R0.119 C=CCCCCOCCS(=O)(=O)C 89a2d5138cf59dfcb99d496aaffc3f50 [0,1,0,0,0,0|2,0,1]=4 1503 B12R0.119 C=CCCCCOCCS(=O)(=O)N 0139a0308230aae4f438fd96498492f6 [0,1,0,0,0,0|2,0,1]=4 1504 B12R0.119 C=CCCCCOCCS(=O)(=O)O 941084bbd9d14037ae46e4cc158dd7bd [0,1,0,0,0,0|2,0,0]=3 1505 B12R0.119 C=CCCCNCCCC(C)(C)O ecf164ecc5f39802e2efbb29d234dc7e [0,1,0,0,0,0|2,0,1]=4 1506 B12R0.119 C=CCCCNCCCS(=O)(=O)C 86f698970299713b11cb890023fbb758 [0,1,0,0,0,0|2,0,1]=4 1507 B12R0.119 C=CCCCNCCCS(=O)(=O)N 737df2a4f91a564b25753c5969d02f85 [0,1,0,0,0,0|2,0,1]=4 1508 B12R0.119 C=CCCCNCCCS(=O)(=O)O 4c70816ef3aee4a6f27e601a18077cee [0,1,0,0,0,0|2,0,0]=3 1509 B12R0.119 C=CCCCNCCOS(=O)(=O)O 605d394ac3bbcede057106d247b01875 [0,1,0,0,0,0|3,0,0]=4 1510 B12R0.119 C=CCCCOCCCC(C)(C)O 1f26c395853c9cec590c68d731d12722 [0,1,0,0,0,0|2,0,1]=4 1511 B12R0.119 C=CCCCOCCCS(=O)(=O)C 09b552336762678e594fd8618bbe8fce [0,1,0,0,0,0|2,0,1]=4 1512 B12R0.119 C=CCCCOCCCS(=O)(=O)N ab2870d858e84d36a00415b70525653a [0,1,0,0,0,0|2,0,1]=4 1513 B12R0.119 C=CCCCOCCCS(=O)(=O)O a31a047cc8334b11c08e0efd2c029cfe [0,1,0,0,0,0|2,0,0]=3 1514 B12R0.119 C=CCCNCCCCS(=O)(=O)C ca7ca0dd43ad5b8f2dcea12d768648b8 [0,1,0,0,0,0|2,0,1]=4 1515 B12R0.119 C=CCCNCCCCS(=O)(=O)O 7fc52a961b91d785d3fa0afd4000ce70 [0,1,0,0,0,0|2,0,0]=3 1516 B12R0.119 C=CCCOCCCCS(=O)(=O)C 96bd038d1376da93de35c539a7c6d8cb [0,1,0,0,0,0|2,0,1]=4 1517 B12R0.119 C=CCCOCCCCS(=O)(=O)O 5f7cc13c958f7daaa94fa80350b6c9c1 [0,1,0,0,0,0|2,0,0]=3 1518 B12R0.119 C=CCCOCCCNS(=O)(=O)O a03790fabcaa12d3d9651f4f2385b71f [0,1,0,0,0,0|3,0,0]=4 1519 B12R0.119 C=CCNCCCCCS(=O)(=O)O 2307a7d6d65cda92ba0b0c2a2f960ab0 [0,1,0,0,0,0|2,0,0]=3 1520 B12R0.119 C=CCOCCNCCS(=O)(=O)O 87b7b403dae2467c4333fbf3ccf10a6d [0,1,0,0,0,0|3,0,0]=4 1521 B12R0.119 C=CCOCCOCCS(=O)(=O)O 5c745db36aba5d1087d77b31955adee6 [0,1,0,0,0,0|3,0,0]=4 1522 B12R0.119 C=COCCCCOCS(=O)(=O)O d0c1badf40ea6cd9306995ff4464baef [0,1,0,0,0,0|3,0,0]=4 1523 B12R0.119 C=COCCCNCCS(=O)(=O)O af0811dee7fcdd53eb106803369aed80 [0,1,0,0,0,0|3,0,0]=4 1524 B12R0.119 C=COCCNCCCS(=O)(=O)O 73fc079b82d59bd21366392f5a62faf1 [0,1,0,0,0,0|3,0,0]=4 1525 B12R0.119 C=COCCOCCCS(=O)(=O)O cfe3400758a307935ac9548d123fce9f [0,1,0,0,0,0|3,0,0]=4 1526 B12R0.119 O=CCCCCCNCS(=O)(=O)O 4157ea2547ae93662d63851fdad3fc62 [0,1,0,0,0,0|3,0,0]=4 1527 B12R0.119 O=CCCCCNCCS(=O)(=O)O b50628747c375b23d2f6d9c32df33757 [0,1,0,0,0,0|3,0,0]=4 1528 B12R0.119 O=CCCCCOCCS(=O)(=O)O 191b4423ef893ce8395dc506103ef321 [0,1,0,0,0,0|3,0,0]=4 1529 B12R0.119 O=CCCCNCCCS(=O)(=O)O da070d00163d7478dc0fdd5ba8909f8e [0,1,0,0,0,0|3,0,0]=4 1530 B12R0.119 O=CCCCOCCCS(=O)(=O)O cf9b3eb1d9175e80e5870c6f6a1d044b [0,1,0,0,0,0|3,0,0]=4 1531 B12R0.119 O=CCCOCCCCS(=O)(=O)O c7275d21fb55bb650a9153bee9f965ce [0,1,0,0,0,0|3,0,0]=4 1532 B12R0.119 O=CCNCCCCCS(=O)(=O)O f10b09cd2a81e31c646baa980b546f89 [0,1,0,0,0,0|3,0,0]=4 1533 B12R0.119 O=CNCCCCCCS(=O)(=O)O 90149058c09c114767981cbc1577e8ce [0,1,0,0,0,0|3,0,0]=4 1534 B12R0.184 C#CC(C)NCCCCCC(=O)O eef2c3d62a5f147d5d9a61f1d3f45fcf [0,1,0,0,0,0|1,0,2]=4 1535 B12R0.184 C#C[C@@H](C)NCCCCCC(=O)O 77f4497fdbd3246d59113d3674562e9b [0,1,0,0,0,0|1,0,2]=4 1536 B12R0.184 C#C[C@H](C)NCCCCCC(=O)O bd783d47e027f04879b4cb74a72c7a5b [0,1,0,0,0,0|1,0,2]=4 1537 B12R0.184 C/C(=C\I)/COCCCCC(=O)O c1fe292b485db934a2a2bfbc52930ed2 [0,1,0,0,0,0|2,0,1]=4 1538 B12R0.184 C=C(C=O)OCCCCCC(=O)O 60ff5b6cea3bd758e3430c8b3166e715 [0,1,0,0,0,0|2,0,1]=4 1539 B12R0.184 C=CC(=O)CCCNCCC(=O)N 59f28eb7a156c03963adb8b055f3b8d7 [0,1,0,0,0,0|2,0,1]=4 1540 B12R0.184 C=CC(=O)CCCNCCC(=O)O ff9660a2e29e84af9488e635d04455d0 [0,1,0,0,0,0|1,0,1]=3 1541 B12R0.184 C=CC(=O)CCCNCCS(=O)O 236b3a12be6979ae26acebc8c47fcce2 [0,1,0,0,0,0|2,0,1]=4 1542 B12R0.184 C=CC(=O)CCCOCCC(=O)C 6b734c0f4b9f183df68ce27fc4154436 [0,1,0,0,0,0|2,0,1]=4 1543 B12R0.184 C=CC(=O)CCCOCCC(=O)N a4e1852129c92153398d5ed201125127 [0,1,0,0,0,0|2,0,1]=4 1544 B12R0.184 C=CC(=O)CCCOCCC(=O)O 89407d0e36128ea9d9cee9dafc29f004 [0,1,0,0,0,0|1,0,1]=3 1545 B12R0.184 C=CC(=O)NCCCCCC(=O)N c70da03cf2413e16cc142be129d071d9 [0,1,0,0,0,0|2,0,1]=4 1546 B12R0.184 C=CC(=O)NCCCOCC(=O)O d14c3a67627208041a74fc7bc288251f [0,1,0,0,0,0|2,0,1]=4 1547 B12R0.184 C=CC(=O)NCCNCCC(=O)O 6a09449c402054fda6022269edfa04c2 [0,1,0,0,0,0|2,0,1]=4 1548 B12R0.184 C=CC(=O)NCCOCCC(=O)O 9c7e21932dd0758d76ced0575998f85c [0,1,0,0,0,0|2,0,1]=4 1549 B12R0.184 C=CC(=O)NCOCCCC(=O)O 21c55d1bbe762a35d4d5fdf64c03eec2 [0,1,0,0,0,0|2,0,1]=4 1550 B12R0.184 C=CC(=O)OCCNCCC(=O)O a9f912742ff913dd3f6356947c71ebd6 [0,1,0,0,0,0|2,0,1]=4 1551 B12R0.184 C=CC(=O)OCCOCCC(=O)O cbb60febba55798badca73ac1e013824 [0,1,0,0,0,0|2,0,1]=4 1552 B12R0.184 C=CC(C)COCCCCC(=O)C 776d609433bc4aea014f9ae2889dd058 [0,1,0,0,0,0|2,0,0]=3 1553 B12R0.184 C=CC(C)COCCCCC(=O)N 7ec5f4a0e1dd2944bc32342529084754 [0,1,0,0,0,0|2,0,0]=3 1554 B12R0.184 C=CC(C)COCCCCC(=O)O 65e8da95b4b0d50ccee96661b18f8040 [0,1,0,0,0,0|1,0,0]=2 1555 B12R0.184 C=CC(C)COCCCNC(=O)C c19daf3c64477e9919e456ccbc20c523 [0,1,0,0,0,0|3,0,0]=4 1556 B12R0.184 C=CC(C)COCCCOC(=O)C c30799eff46a58765764fe7d3d19d2c4 [0,1,0,0,0,0|3,0,0]=4 1557 B12R0.184 C=CC(C)COCCCSC(=O)C 5268323a1a7cf66555a361620b484477 [0,1,0,0,0,0|3,0,0]=4 1558 B12R0.184 C=CC(C)COCCOCC(=O)N cb891d5dbfacd8607db0da524ce90825 [0,1,0,0,0,0|3,0,0]=4 1559 B12R0.184 C=CC(C)COCCOCC(=O)O ef6407d156ef3f8ba9c57965afbee50a [0,1,0,0,0,0|2,0,0]=3 1560 B12R0.184 C=CC(C)NCCCCCC(=O)C 79a77bfc5d5713772f37d6e8ebc24a21 [0,1,0,0,0,0|2,0,0]=3 1561 B12R0.184 C=CC(C)NCCCCCC(=O)N ad6d7caf1244b286abaa451d036bc44b [0,1,0,0,0,0|2,0,0]=3 1562 B12R0.184 C=CC(C)NCCCCCC(=O)O 4ed2cb68517c2b90b63c763a3f92b730 [0,1,0,0,0,0|1,0,0]=2 1563 B12R0.184 C=CC(C)NCCCCNC(=O)C eefbbb03b6587d0f4f5c83d0cd380b2d [0,1,0,0,0,0|3,0,0]=4 1564 B12R0.184 C=CC(C)NCCCCOC(=O)C 43260f82d8bdac9b0157076d9fbabd8b [0,1,0,0,0,0|3,0,0]=4 1565 B12R0.184 C=CC(C)NCCCCSC(=O)C 89d8e5ff8fe682acf209242984a312ee [0,1,0,0,0,0|3,0,0]=4 1566 B12R0.184 C=CC(C)NCCCOCC(=O)O 6c4a68b30940f0786db771badf286bd3 [0,1,0,0,0,0|2,0,0]=3 1567 B12R0.184 C=CC(C)NCCOCCC(=O)O 1374bce25e69af9083db906a80d46767 [0,1,0,0,0,0|2,0,0]=3 1568 B12R0.184 C=CC(C)OCCCCCC(=O)C ffd98f0c960c05d4c444cb820a085aaf [0,1,0,0,0,0|2,0,0]=3 1569 B12R0.184 C=CC(C)OCCCCCC(=O)N fa039ff6e4c204a68f04782c845b57b8 [0,1,0,0,0,0|2,0,0]=3 1570 B12R0.184 C=CC(C)OCCCCCC(=O)O c1e95a8efdba552b1b30b84a02f17f42 [0,1,0,0,0,0|1,0,0]=2 1571 B12R0.184 C=CC(C)OCCCCOC(=O)C 3f3da82c33d3450e29b8f0489b7d8813 [0,1,0,0,0,0|3,0,0]=4 1572 B12R0.184 C=CC(C)OCCCCSC(=O)C 757ed82db94e96266ca4438ce46d0467 [0,1,0,0,0,0|3,0,0]=4 1573 B12R0.184 C=CC(C)OCCCOCC(=O)O 17ad871fdd27fa3be0922c48369eb38d [0,1,0,0,0,0|2,0,0]=3 1574 B12R0.184 C=CC(C)OCCOCCC(=O)O 65def66cb3e8de2b3572f9b0a0cd9e06 [0,1,0,0,0,0|2,0,0]=3 1575 B12R0.184 C=CC(O)CNCCCCC(=O)C 24c91ad223ed092db51bf208d1c8a1c6 [0,1,0,0,0,0|2,0,0]=3 1576 B12R0.184 C=CC(O)CNCCCCC(=O)N 21720c0f45ec8edfb905f7edb8ec15d5 [0,1,0,0,0,0|2,0,0]=3 1577 B12R0.184 C=CC(O)CNCCCCC(=O)O ceed13887644808a7874c35d773a6479 [0,1,0,0,0,0|1,0,0]=2 1578 B12R0.184 C=CC(O)CNCCCCC(C)O 8d34e95d44297c0624bcec423da6dd03 [0,1,0,0,0,0|2,0,1]=4 1579 B12R0.184 C=CC(O)CNCCCC[C@@H](C)O 5f674e76f210eb532984b85780fdc931 [0,1,0,0,0,0|2,0,1]=4 1580 B12R0.184 C=CC(O)CNCCCNC(=O)C 7c256b72469b33c8661e7049fd7a6b60 [0,1,0,0,0,0|3,0,0]=4 1581 B12R0.184 C=CC(O)CNCCCOC(=O)C 07ae740906901326477f430a6ba307e8 [0,1,0,0,0,0|3,0,0]=4 1582 B12R0.184 C=CC(O)CNCCCSC(=O)C d9b44f0913023ea06a1a3ac41f82fe31 [0,1,0,0,0,0|3,0,0]=4 1583 B12R0.184 C=CC(O)CNCCOCC(=O)N 53c799291af7681d088053fc94f85f78 [0,1,0,0,0,0|3,0,0]=4 1584 B12R0.184 C=CC(O)CNCCOCC(=O)O 8dc3436f86ba858d6cd89f455912a567 [0,1,0,0,0,0|2,0,0]=3 1585 B12R0.184 C=C[C@H](C)OCCCCCC(=O)C 1dc86a81ab0bb7f681851c88a2d66397 [0,1,0,0,0,0|2,0,0]=3 1586 B12R0.184 C=C[C@H](C)OCCCCCC(=O)N e6297e4848ec1c313ad1f1a609728ab0 [0,1,0,0,0,0|2,0,0]=3 1587 B12R0.184 C=C[C@H](C)OCCCCCC(=O)O efa4e6d4e413b257e98ec31392c20017 [0,1,0,0,0,0|1,0,0]=2 1588 B12R0.184 C=C[C@H](C)OCCCCOC(=O)C f7e3d7fe9d61e1c9c6413dd56cd13402 [0,1,0,0,0,0|3,0,0]=4 1589 B12R0.184 C=C[C@H](C)OCCCCSC(=O)C 35db6778bce152bec49e207a130eb532 [0,1,0,0,0,0|3,0,0]=4 1590 B12R0.184 C=C[C@H](C)OCCCOCC(=O)O f643f365ed52e282e8c8b68ad61dc57d [0,1,0,0,0,0|2,0,0]=3 1591 B12R0.184 C=C[C@H](C)OCCOCCC(=O)O 39cb670f02df0a53d053d5182102e929 [0,1,0,0,0,0|2,0,0]=3 1592 B12R0.184 CC(=CI)COCCCCC(=O)O 9732d1d4f1e0b5da1735a5b202d1eba6 [0,1,0,0,0,0|2,0,1]=4 1593 B12R0.184 CC(=O)CCCCCOC(C)C=O 342dcfb90f41779f603e8b208d835f79 [0,1,0,0,0,0|3,0,0]=4 1594 B12R0.184 CC(C#N)CNCCCCC(=O)O e26dd95e3ec0503d989d332bec1d00f6 [0,1,0,0,0,0|2,0,1]=4 1595 B12R0.184 CC(C#N)COCCCCC(=O)O 312f2f0135e5095cd534d058aa2d1045 [0,1,0,0,0,0|2,0,1]=4 1596 B12R0.184 CC(C#N)NCCCCCC(=O)O f508dbf5a33947acb3ece6fa19f85865 [0,1,0,0,0,0|2,0,1]=4 1597 B12R0.184 CC(C=O)NCCCCCC(=O)N e285ad3dac275c1f7bc43f6372bb81e9 [0,1,0,0,0,0|3,0,0]=4 1598 B12R0.184 CC(C=O)NCCCCCC(=O)O a09ddfb0631a776feec8bfaf8a2bfe9d [0,1,0,0,0,0|2,0,0]=3 1599 B12R0.184 CC(C=O)NCCOCCC(=O)O b1cc2b4900f7b4019d79d908ead39af3 [0,1,0,0,0,0|3,0,0]=4 1600 B12R0.184 CC(C=O)OCCCCCC(=O)N 82b53c336818a21f50edf11c3c230818 [0,1,0,0,0,0|3,0,0]=4 1601 B12R0.184 CC(C=O)OCCCCCC(=O)O bea413165a4aee15090b6d18842992e9 [0,1,0,0,0,0|2,0,0]=3 1602 B12R0.184 CC(C=O)OCCCOCC(=O)O 0f097e1382dab766da4b8ff0f56b27a8 [0,1,0,0,0,0|3,0,0]=4 1603 B12R0.184 CC(C=O)OCCOCCC(=O)O f324d4c75c56d212ebb8d7e4fb0e228c [0,1,0,0,0,0|3,0,0]=4 1604 B12R0.184 CC(CO)CCCNCCC(=O)O 8552ea4b6cba8d9a39bbc949cdc28243 [0,1,0,0,0,0|2,0,1]=4 1605 B12R0.184 CC(CO)CCNCCCC(=O)O 523d4893d9c615408cf16b69944b89e0 [0,1,0,0,0,0|2,0,1]=4 1606 B12R0.184 CC(CO)CNCCCCC(=O)O cf3daebde9d550a0864c49eba5811617 [0,1,0,0,0,0|2,0,1]=4 1607 B12R0.184 CC(CO)NCCCCCC(=O)O 290479a460607f11b46a5ed1bed9f3ad [0,1,0,0,0,0|2,0,1]=4 1608 B12R0.184 CCC(C)CCCCOCC(=O)O 8486b0703e17c352a6fc39325cd49aec [0,1,0,0,0,0|1,0,2]=4 1609 B12R0.184 CCC(C)CCCOCCC(=O)O 4ead7a3c5cb38f9c45f5ff51fa39fe8f [0,1,0,0,0,0|1,0,2]=4 1610 B12R0.184 CCC(C)CCNCCCC(=O)O 894c390668388908d351c2ea30e0be7b [0,1,0,0,0,0|1,0,2]=4 1611 B12R0.184 CCC(C)CNCCCCC(=O)O 32ed5e7c3b2807e91d4b1a8c7f0ef2e3 [0,1,0,0,0,0|1,0,2]=4 1612 B12R0.184 CCC(C)COCCCCC(=O)O 5c7d7a4b76f1270176bce6e3d65dc9d3 [0,1,0,0,0,0|1,0,2]=4 1613 B12R0.184 CCC(C)NCCCCCC(=O)O 3d646953d5e4341bdfbed7705e0be829 [0,1,0,0,0,0|1,0,2]=4 1614 B12R0.184 CCC(C)OCCCCCC(=O)O c9b3660802819f97ee4593234c5c009c [0,1,0,0,0,0|1,0,2]=4 1615 B12R0.184 CCC(O)CNCCCCC(=O)O 51e43f3330f2e782fd9c70834ff3dded [0,1,0,0,0,0|1,0,2]=4 1616 B12R0.184 CCC(S)CCOCCCC(=O)O 4bd4eede6c72611263f60646e7133705 [0,1,0,0,0,0|1,0,2]=4 1617 B12R0.184 CCN(C)CCCCCCC(=O)O 421ac9e7456e7450633f2dd83e1c3d0a [0,1,0,0,0,0|1,0,2]=4 1618 B12R0.184 CC[C@@H](C)CNCCCCC(=O)O 48290853529ecd358a90466f995b4c0d [0,1,0,0,0,0|1,0,2]=4 1619 B12R0.184 CC[C@@H](C)COCCCCC(=O)O b465e6e8a8d856936133e6667519a43d [0,1,0,0,0,0|1,0,2]=4 1620 B12R0.184 CC[C@@H](O)CNCCCCC(=O)O d8b00762f9205e8a434feb37d013892c [0,1,0,0,0,0|1,0,2]=4 1621 B12R0.184 CC[C@H](C)CCCCOCC(=O)O 5e1b312d5fe71ef45c85558505a92658 [0,1,0,0,0,0|1,0,2]=4 1622 B12R0.184 CC[C@H](C)CCCOCCC(=O)O 0cdc399044642f5b9d5487f2f4c9d5ae [0,1,0,0,0,0|1,0,2]=4 1623 B12R0.184 CC[C@H](C)CNCCCCC(=O)O d8b356887b3d5a8571f15f812507a662 [0,1,0,0,0,0|1,0,2]=4 1624 B12R0.184 CC[C@H](C)COCCCCC(=O)O aabf08aa1b335746f76d5448c67692a0 [0,1,0,0,0,0|1,0,2]=4 1625 B12R0.184 CN(C=O)CCOCCCC(=O)O dc679d6d9081bd9685b16f5e0eee06f5 [0,1,0,0,0,0|3,0,0]=4 1626 B12R0.184 CN(CF)CCCCCCC(=O)O 9cb33b7e8fbed25e182cec1facdb87f1 [0,1,0,0,0,0|2,0,1]=4 1627 B12R0.184 CN(CO)CCCCCCC(=O)O 092b14900728cd7141ba7e135dc1b373 [0,1,0,0,0,0|2,0,1]=4 1628 B12R0.184 COC(C)CNCCCCC(=O)O d620b45500f21ff61b4a973f554187d5 [0,1,0,0,0,0|2,0,1]=4 1629 B12R0.184 COC(C)COCCCCC(=O)O 80270bd8bbe67c5309302b157cf4c8ac [0,1,0,0,0,0|2,0,1]=4 1630 B12R0.184 CO[C@@H](C)CNCCCCC(=O)O 57b59fde71ece549b566e0e3ed3d242c [0,1,0,0,0,0|2,0,1]=4 1631 B12R0.184 CO[C@@H](C)COCCCCC(=O)O 72fe6f2c31bf528e8cfda213ea182cc0 [0,1,0,0,0,0|2,0,1]=4 1632 B12R0.184 CO[C@H](C)CNCCCCC(=O)O 9be5be160e41b6e68d5f911bcb29722d [0,1,0,0,0,0|2,0,1]=4 1633 B12R0.184 CO[C@H](C)COCCCCC(=O)O 713116f7799f28cce1f677b39462ac70 [0,1,0,0,0,0|2,0,1]=4 1634 B12R0.184 C[C@@H](CO)CNCCCCC(=O)O 42c900d6b2e6525e8c38fbf610d49e0c [0,1,0,0,0,0|2,0,1]=4 1635 B12R0.184 C[C@@H](CO)NCCCCCC(=O)O 1e02722b5da08fcefba034c200c8caa4 [0,1,0,0,0,0|2,0,1]=4 1636 B12R0.184 C[C@H](C=O)NCCCCCC(=O)N 8ab55c2ab654f7b64fb121030f5d42e9 [0,1,0,0,0,0|3,0,0]=4 1637 B12R0.184 C[C@H](C=O)NCCCCCC(=O)O a2abf75d3ee9f76340b3c845bebe7f3f [0,1,0,0,0,0|2,0,0]=3 1638 B12R0.184 C[C@H](C=O)NCCOCCC(=O)O a658f4aa1d31f12b04e3d307fcbee8db [0,1,0,0,0,0|3,0,0]=4 1639 B12R0.184 C[C@H](C=O)OCCCCCC(=O)N 70429996e832706cbe89c4b050143c04 [0,1,0,0,0,0|3,0,0]=4 1640 B12R0.184 C[C@H](C=O)OCCCCCC(=O)O fe6517326e9eed48da49d50bf0ed16f3 [0,1,0,0,0,0|2,0,0]=3 1641 B12R0.184 C[C@H](C=O)OCCOCCC(=O)O 397e3e59f01f540a24e4ea35cbf17853 [0,1,0,0,0,0|3,0,0]=4 1642 B12R0.184 C[C@H](CO)CNCCCCC(=O)O 2c39f38817d03e15d3a0ca3ae06d99aa [0,1,0,0,0,0|2,0,1]=4 1643 B12R0.184 C[C@H](CO)NCCCCCC(=O)O 399a5ec6d18c9f58630b7d30885768f8 [0,1,0,0,0,0|2,0,1]=4 1644 B12R0.184 O=C(O)CCCCNC/C(=C/Cl)/Cl 093b45dc94e146de4b7f04e1bb9ebc62 [0,1,0,0,0,0|2,0,1]=4 1645 B12R0.184 O=C(O)CCCCNCC(F)CO 22252e61f3049c63be5a59704b314661 [0,1,0,0,0,0|2,0,1]=4 1646 B12R0.184 O=C(O)CCCCNCC(O)CF f9b4307bb379d3b4abd0d5601ae8d7fa [0,1,0,0,0,0|2,0,1]=4 1647 B12R0.184 O=C(O)CCCCNCC(O)CO a3d26b68d54a95c5de03e8907ad9eec3 [0,1,0,0,0,0|2,0,1]=4 1648 B12R0.184 O=C(O)CCCCNC[C@@H](F)CO 0c1f8ddb641baf69c1e02d1d656d396e [0,1,0,0,0,0|2,0,1]=4 1649 B12R0.184 O=C(O)CCCCNC[C@@H](O)CO 5f411edc74e18f5dd7d2207c7417731d [0,1,0,0,0,0|2,0,1]=4 1650 B12R0.184 O=C(O)CCCCNC[C@H](F)CO b36c983df5a7f232b86b885de23b157a [0,1,0,0,0,0|2,0,1]=4 1651 B12R0.184 O=C(O)CCCCNC[C@H](O)CO efce1614840fe4700434d9a2da666a18 [0,1,0,0,0,0|2,0,1]=4 1652 B12R0.184 O=C(O)CCCCOC/C(=C/Cl)/Cl 9536e481575460d8273448ae495eb0b6 [0,1,0,0,0,0|2,0,1]=4 1653 B12R0.184 O=C(O)CCCCOCC(O)CO 8e355a678f43bd73c13e407ac745b230 [0,1,0,0,0,0|2,0,1]=4 1654 B12R0.184 O=C(O)CCCCOC[C@@H](O)CO 509217a29954fc1637b9a42c7724f05f [0,1,0,0,0,0|2,0,1]=4 1655 B12R0.184 O=C(O)CCCCOC[C@H](O)CO a80cc120255a85721a4dbf94d71ba6cf [0,1,0,0,0,0|2,0,1]=4 1656 B12R0.184 O=C(O)CCCNCCC(O)CO 4c20ae8d90f7369365d2a0fe81d4cf72 [0,1,0,0,0,0|2,0,1]=4 1657 B12R0.233 C#CCCCN(C)CCCC(=O)O b19085c1123571b433591fc3ce4cd5b0 [0,1,0,0,0,0|1,0,2]=4 1658 B12R0.233 C=CCCCC(=O)NCCC(=O)N 2dd9aa9ddba9994ee273554ff25ccd98 [0,1,0,0,0,0|2,0,1]=4 1659 B12R0.233 C=CCCCC(=O)NCCS(=O)O 557c26e05f07abd877c70930661dcb76 [0,1,0,0,0,0|2,0,1]=4 1660 B12R0.233 C=CCCCN(C)C/C=C/C(=O)O 1d875d3223c9ef2b5b4a32694a9ff8b9 [0,1,0,0,0,0|1,0,2]=4 1661 B12R0.233 C=CCCCN(C)CC=CC(=O)O f41ff1933602ec54d440e456462b61ea [0,1,0,0,0,0|1,0,2]=4 1662 B12R0.233 C=CCCCN(C)CCCC(=C)C f28a71cc5101cb2784dccd23c7ee1d7d [0,1,0,0,0,0|3,0,0]=4 1663 B12R0.233 C=CCCCN(C)CCCC(=O)C 356c13b588962fc619ec4128448d9e3e [0,1,0,0,0,0|2,0,0]=3 1664 B12R0.233 C=CCCCN(C)CCCC(=O)N d2de1578e6ef13731a792f96241c6941 [0,1,0,0,0,0|2,0,0]=3 1665 B12R0.233 C=CCCCN(C)CCCC(=O)O 5a888c0af6368db4a0dc807b8ad9b287 [0,1,0,0,0,0|1,0,0]=2 1666 B12R0.233 C=CCCCN(C)CCCC(C)O 1b82412d1f6a133c6fd4b8d5ad0fe698 [0,1,0,0,0,0|2,0,1]=4 1667 B12R0.233 C=CCCCN(C)CCC[N+](=O)[O-] 6907128379dd6f68a1cc28e87bfdf3f5 [0,1,0,0,0,0|2,0,1]=4 1668 B12R0.233 C=CCCCN(C)CCNC(=O)C f394940eb98ef7ca6fb0a46715f1e9dc [0,1,0,0,0,0|3,0,0]=4 1669 B12R0.233 C=CCCCN(C)CCNC(=O)N 2a8b5265fcce69eb28a79ed204754b7d [0,1,0,0,0,0|3,0,0]=4 1670 B12R0.233 C=CCCCN(C)CCOC(=O)C 9f31c4c74bbb80affafe45ed250d11c4 [0,1,0,0,0,0|3,0,0]=4 1671 B12R0.233 C=CCCCN(C)CCSC(=O)C 9960bb90edabbd06f3a74526f89c71c5 [0,1,0,0,0,0|3,0,0]=4 1672 B12R0.233 C=CCCC[C@H](C)OCCC(=C)C c0ec677f65e70e79f2ad86c93f85c776 [0,1,0,0,0,0|3,0,0]=4 1673 B12R0.233 C=CCCC[C@H](C)OCCC(=O)C 475b37f92577fe750967b6e4ab97b51f [0,1,0,0,0,0|2,0,0]=3 1674 B12R0.233 C=CCCC[C@H](C)OCCC(=O)N d776aeaf1938dc2b2cf72459d6f4a423 [0,1,0,0,0,0|2,0,0]=3 1675 B12R0.233 C=CCCC[C@H](C)OCCC(=O)O fafc610fdca985d19e7f82d9eba059b4 [0,1,0,0,0,0|1,0,0]=2 1676 B12R0.233 C=CCCC[C@H](C)OCCS(=O)C 0397f10966890f84e7c091852943e56d [0,1,0,0,0,0|3,0,0]=4 1677 B12R0.233 C=CCCC[C@H](C)OCOC(=O)C 9758a76c9ca7d285522c20640ce2b48f [0,1,0,0,0,0|3,0,0]=4 1678 B12R0.233 C=CCCC[C@H](C)OCSC(=O)N 917d0b8550329ce470d17fe0691ba715 [0,1,0,0,0,0|3,0,0]=4 1679 B12R0.233 C=CCCNC(=O)CCCC(=O)C 249d103681dc139cc785b206ce2d5fcc [0,1,0,0,0,0|2,0,1]=4 1680 B12R0.233 C=CCCNC(=O)CCCC(=O)N 3748e47d958005b30268a2933f15dd84 [0,1,0,0,0,0|2,0,1]=4 1681 B12R0.233 C=CCCNC(=O)NCCC(=O)O a6e084e35ae675469d5b4b20df90c37b [0,1,0,0,0,0|2,0,1]=4 1682 B12R0.233 C=CCCNC(=S)NCCC(=O)O 100418203459c3b56be37b7f5d4be958 [0,1,0,0,0,0|2,0,1]=4 1683 B12R0.233 CC(CCCCO)NCCC(=O)O 05aafed802eefe741aaf6c454a90811b [0,1,0,0,0,0|2,0,1]=4 1684 B12R0.233 CCCCCC(C)COCC(=O)O 81c74f114655b4076459ce3fa87f3974 [0,1,0,0,0,0|1,0,2]=4 1685 B12R0.233 CCCCCC(C)NCCC(=O)O 05cad023ab20b6292f356b8740b9a6ca [0,1,0,0,0,0|1,0,2]=4 1686 B12R0.233 CCCCCN(C)CCCC(=O)O 0f59389ce29ac8a9b550931c1f546c61 [0,1,0,0,0,0|1,0,2]=4 1687 B12R0.233 CCCCC[C@H](C)NCCC(=O)O 5b34d2ac605baf095b301b99afc4dfd4 [0,1,0,0,0,0|1,0,2]=4 1688 B12R0.233 CN(CCCC#N)CCCC(=O)O 68caa4d59454e2c75d87638013981914 [0,1,0,0,0,0|2,0,1]=4 1689 B12R0.233 CN(CCCC=O)CCCC(=O)N d51947379826631676a785c78d73ca2c [0,1,0,0,0,0|3,0,0]=4 1690 B12R0.233 CN(CCCC=O)CCCC(=O)O 764dff45e55a563c3ec4eeb038047179 [0,1,0,0,0,0|2,0,0]=3 1691 B12R0.233 CN(CCCCF)CCCC(=O)O 6b6b4fb5e076a441a787337c7747285e [0,1,0,0,0,0|2,0,1]=4 1692 B12R0.233 CN(CCCCO)CCCC(=O)O 96ac4275a14c9fa9ba9151eb09358feb [0,1,0,0,0,0|2,0,1]=4 1693 B12R0.233 COCCCN(C)CCCC(=O)O 331412dc237aed0ca1f5d8324a6e1830 [0,1,0,0,0,0|2,0,1]=4 1694 B12R0.233 CSCCCN(C)CCCC(=O)O 85b53ede0fef6f17191ff6e3331e490d [0,1,0,0,0,0|2,0,1]=4 1695 B12R0.234 C#CCCCCCCNCC(=O)C 4a06d3658fae5d63b59a166b26fbe100 [0,1,0,0,0,0|1,0,2]=4 1696 B12R0.234 C#CCCCCCCNCC(=O)N 5e1bed257a518f0ffe283f893f951c1a [0,1,0,0,0,0|1,0,2]=4 1697 B12R0.234 C#CCCCCCCNCC(=O)O 5a50258750a87b1f5575b4cdb6ea29a1 [0,1,0,0,0,0|0,0,2]=3 1698 B12R0.234 C#CCCCCCCOCC(=O)C 8e623d2af4c4dd7f45e08aa213ae61c5 [0,1,0,0,0,0|1,0,2]=4 1699 B12R0.234 C#CCCCCCCOCC(=O)N 2c8c8e59e56c04bb87ad6a7242755a8b [0,1,0,0,0,0|1,0,2]=4 1700 B12R0.234 C#CCCCCCCOCC(=O)O 7a2facc659c53676683ddfb1bd976299 [0,1,0,0,0,0|0,0,2]=3 1701 B12R0.234 C#CCCCCCCOCS(=O)O 4378d07cdb717caa5f68b082a3f2ae1e [0,1,0,0,0,0|1,0,2]=4 1702 B12R0.234 C#CCCCCCNCCC(=O)C 644615e3d24dc4617eee89aafbeaeeb8 [0,1,0,0,0,0|1,0,2]=4 1703 B12R0.234 C#CCCCCCNCCC(=O)N 7c23bc4bf05cf7c647f0fc7eef7fbc7b [0,1,0,0,0,0|1,0,2]=4 1704 B12R0.234 C#CCCCCCNCCC(=O)O 02fa03dcad7123e61681137bdcd09b14 [0,1,0,0,0,0|0,0,2]=3 1705 B12R0.234 C#CCCCCCNCCS(=O)O 398822caf834f5b9d2e7f23999b47cfe [0,1,0,0,0,0|1,0,2]=4 1706 B12R0.234 C#CCCCCCOCCC(=O)C 174ee5ca4f655a8f107b6952b0177467 [0,1,0,0,0,0|1,0,2]=4 1707 B12R0.234 C#CCCCCCOCCC(=O)N e483bc638f7f963a5322ea5bc16e7316 [0,1,0,0,0,0|1,0,2]=4 1708 B12R0.234 C#CCCCCCOCCC(=O)O f8c2e366579cefca782e412cf39c4c1e [0,1,0,0,0,0|0,0,2]=3 1709 B12R0.234 C#CCCCCNCCCC(=O)C 9fedaea4c44197f558e9aafa99df5b8f [0,1,0,0,0,0|1,0,2]=4 1710 B12R0.234 C#CCCCCNCCCC(=O)N c3512fdc337aae492ec771e49b4b60df [0,1,0,0,0,0|1,0,2]=4 1711 B12R0.234 C#CCCCCNCCCC(=O)O 637cc1e2f09b41d2bf986ab0fcb5d15f [0,1,0,0,0,0|0,0,2]=3 1712 B12R0.234 C#CCCCCOCCCC(=O)C 2492fdea6c3d8993c8d48069080aa19d [0,1,0,0,0,0|1,0,2]=4 1713 B12R0.234 C#CCCCCOCCCC(=O)N 0bf0a5f2639e6fe718ddcbb5158cbc58 [0,1,0,0,0,0|1,0,2]=4 1714 B12R0.234 C#CCCCNCCCCC(=O)C 088f4ff4709a114b1b126d44cd6c4663 [0,1,0,0,0,0|1,0,2]=4 1715 B12R0.234 C#CCCCNCCCCC(=O)N 31c2da1d143ecac35d2fe231ac6b963a [0,1,0,0,0,0|1,0,2]=4 1716 B12R0.234 C#CCCCNCCCCC(=O)O 01a7487d9c72bca4287f868c5b92b622 [0,1,0,0,0,0|0,0,2]=3 1717 B12R0.234 C#CCCCNCCOCC(=O)O e09250c317868712c8f1c6c2b4dac17f [0,1,0,0,0,0|1,0,2]=4 1718 B12R0.234 C#CCCCOCCCCC(=O)C 384aed0d35ad664af75f111d1310a44f [0,1,0,0,0,0|1,0,2]=4 1719 B12R0.234 C#CCCCOCCCCC(=O)N 3a89ac5af424c6e9a4cc7c603fc6e59d [0,1,0,0,0,0|1,0,2]=4 1720 B12R0.234 C#CCCCOCCCCC(=O)O e161a517fb831ca7712181f5c5c5435a [0,1,0,0,0,0|0,0,2]=3 1721 B12R0.234 C#CCCCOCCOCC(=O)O 21ee7c89523e01b239e29dc58bef973c [0,1,0,0,0,0|1,0,2]=4 1722 B12R0.234 C#CCCNCCCCCC(=O)C 88ef886af77240880e672a3d400a09dd [0,1,0,0,0,0|1,0,2]=4 1723 B12R0.234 C#CCCNCCCCCC(=O)N ea0acdfd9f8d945ac42045e323b8579c [0,1,0,0,0,0|1,0,2]=4 1724 B12R0.234 C#CCCNCCCCCC(=O)O 659c5797468b254370fa68b3b534b70f [0,1,0,0,0,0|0,0,2]=3 1725 B12R0.234 C#CCCNCCCOCC(=O)O d0ee4e9c5d68a90995d722ed74bd8b37 [0,1,0,0,0,0|1,0,2]=4 1726 B12R0.234 C#CCCNCCOCCC(=O)O 9fc09938c5019cffc3ff65cfd79e5d4f [0,1,0,0,0,0|1,0,2]=4 1727 B12R0.234 C#CCCOCCCCCC(=O)C f4e536f3b569b0f5e71585f9eeee4e0f [0,1,0,0,0,0|1,0,2]=4 1728 B12R0.234 C#CCCOCCCCCC(=O)N 0d6d3108ed9233a2ae52bd1700ecec7d [0,1,0,0,0,0|1,0,2]=4 1729 B12R0.234 C#CCCOCCCCCC(=O)O c26d9cd46a483d551c16749062405555 [0,1,0,0,0,0|0,0,2]=3 1730 B12R0.234 C#CCCOCCCOCC(=O)O d8b9962336d3ca62616bf433f935a09c [0,1,0,0,0,0|1,0,2]=4 1731 B12R0.234 C#CCCOCCOCCC(=O)O 7ce8d2db33396a3b60da707d50524880 [0,1,0,0,0,0|1,0,2]=4 1732 B12R0.234 C#CCNCCCCCCC(=O)O 4f3e99785aa111c2eb952f922229a4fe [0,1,0,0,0,0|0,0,2]=3 1733 B12R0.234 C#CCOCCCCCCC(=O)N 57f641583125f810394103515b45f205 [0,1,0,0,0,0|1,0,2]=4 1734 B12R0.234 C#CCOCCCCCCC(=O)O b0c860ac0dd2669b795183898998acc9 [0,1,0,0,0,0|0,0,2]=3 1735 B12R0.234 C#CCOCCCOCCC(=O)O 66d0d4c4c3b2ae362809512d01c942bf [0,1,0,0,0,0|1,0,2]=4 1736 B12R0.234 C#CCOCCNCCCC(=O)O e7729b85bf7f8e96defe00ea5cae214a [0,1,0,0,0,0|1,0,2]=4 1737 B12R0.234 C#CCOCCOCCCC(=O)O 38688f12c66ee61ac4df9072f16906c9 [0,1,0,0,0,0|1,0,2]=4 1738 B12R0.234 C/C=C/C=C/COCCCC(=O)O 41ecd414fa86b89c8b96a6880b52a415 [0,1,0,0,0,0|1,0,2]=4 1739 B12R0.234 C/C=C/CCCOC/C=C/C(=O)O 01a36e2bdd8836def43aedfcecafbeb1 [0,1,0,0,0,0|1,0,2]=4 1740 B12R0.234 C/C=C/CCCOCC=CC(=O)O f096b0d5d2bc7c13ac044c09e8f80c19 [0,1,0,0,0,0|1,0,2]=4 1741 B12R0.234 C/C=C/CCCOCCCC(=O)C 9f12dd0a51a2b14dc134c890bfa4a500 [0,1,0,0,0,0|2,0,0]=3 1742 B12R0.234 C/C=C/CCCOCCCC(=O)N 7f88903330ee98e9c0901019697280a0 [0,1,0,0,0,0|2,0,0]=3 1743 B12R0.234 C/C=C/CCCOCCCC(=O)O f804e3002ff2f360fe38a317b460f99f [0,1,0,0,0,0|1,0,0]=2 1744 B12R0.234 C/C=C/CCCOCCC[N+](=O)[O-] 67735e5929332a14e3fb1bcfe6820396 [0,1,0,0,0,0|2,0,1]=4 1745 B12R0.234 C/C=C/CCCOCCNC(=O)C 0053d1378c4d1068fde69d67bea1bd9f [0,1,0,0,0,0|3,0,0]=4 1746 B12R0.234 C/C=C/CCCOCCNC(=O)N 949c0b7d404a74cc6c9da2b00a8cbf23 [0,1,0,0,0,0|3,0,0]=4 1747 B12R0.234 C/C=C/CCCOCCOC(=O)C 2514cf0914ef47c08a634669aba09ce4 [0,1,0,0,0,0|3,0,0]=4 1748 B12R0.234 C/C=C/CCCOCCSC(=O)C d16f1da68a11571013d480f8e01e7c83 [0,1,0,0,0,0|3,0,0]=4 1749 B12R0.234 C/C=C/CCOCCCCC(=O)C 981a01368fe8e783341d9cf2cdac2eaa [0,1,0,0,0,0|2,0,0]=3 1750 B12R0.234 C/C=C/CCOCCCCC(=O)N cedac358ad18334dbe0a05d2c5cb8513 [0,1,0,0,0,0|2,0,0]=3 1751 B12R0.234 C/C=C/CCOCCCCC(=O)O 56b79b20bfa02221fb0279a656cb52de [0,1,0,0,0,0|1,0,0]=2 1752 B12R0.234 C/C=C/CCOCCCNC(=O)C a3c5d760bb2a1f2038d6378dd855da25 [0,1,0,0,0,0|3,0,0]=4 1753 B12R0.234 C/C=C/CCOCCCOC(=O)C 3e3999d6d585238f88e1c5356c227023 [0,1,0,0,0,0|3,0,0]=4 1754 B12R0.234 C/C=C/CCOCCCSC(=O)C 2f92e3fb8ad50a22b1e1129e08b722ee [0,1,0,0,0,0|3,0,0]=4 1755 B12R0.234 C/C=C/CCOCCOCC(=O)N 706dd7a0505a06c2719350f9bcdf59f4 [0,1,0,0,0,0|3,0,0]=4 1756 B12R0.234 C/C=C/CCOCCOCC(=O)O 5e435cd320e9f8bf397b034dbc853e85 [0,1,0,0,0,0|2,0,0]=3 1757 B12R0.234 C/C=C/CNCCCCCC(=O)N 0798e65af85064647bc117e58ee6a2fb [0,1,0,0,0,0|2,0,0]=3 1758 B12R0.234 C/C=C/CNCCCCCC(=O)O a6194474dbe5fc7ecf1a12b4194f9a66 [0,1,0,0,0,0|1,0,0]=2 1759 B12R0.234 C/C=C/CNCCCCNC(=O)C 37f287dcdfe6178e7759af8dd7e45c51 [0,1,0,0,0,0|3,0,0]=4 1760 B12R0.234 C/C=C/CNCCOCCC(=O)O 4202489d5ca19166769b8b56cd62ffc3 [0,1,0,0,0,0|2,0,0]=3 1761 B12R0.234 C/C=C/COCCCCCC(=O)C 2b820e0a5d06fc3cf2bf7a6c21507177 [0,1,0,0,0,0|2,0,0]=3 1762 B12R0.234 C/C=C/COCCCCCC(=O)N 3a8b9bd798db438d8a432c17ae2d6d8f [0,1,0,0,0,0|2,0,0]=3 1763 B12R0.234 C/C=C/COCCCCCC(=O)O 34ab03956fcbb0ba7195db1312887ca6 [0,1,0,0,0,0|1,0,0]=2 1764 B12R0.234 C/C=C/COCCCCOC(=O)C b3541b69882a590161d4d5b5b1f80e1b [0,1,0,0,0,0|3,0,0]=4 1765 B12R0.234 C/C=C/COCCCCSC(=O)C d7f18669345f4d9ae34b3d377af17df4 [0,1,0,0,0,0|3,0,0]=4 1766 B12R0.234 C/C=C/COCCCOCC(=O)O 36f832c2407b4471a56f9a3b0669cdce [0,1,0,0,0,0|2,0,0]=3 1767 B12R0.234 C/C=C/COCCOCCC(=O)O 173fb6a1641aab3b2182041a2ca63601 [0,1,0,0,0,0|2,0,0]=3 1768 B12R0.234 C/C=C\CCCNC/C=C/C(=O)O c8030c081733cac39c8c242967512743 [0,1,0,0,0,0|1,0,2]=4 1769 B12R0.234 C/C=C\CCCNCC#CC(=O)O 8ac65b11828dc06c6fdfe3e0a24ffb6b [0,1,0,0,0,0|1,0,2]=4 1770 B12R0.234 C/C=C\CCCNCC=CC(=O)O 5ba9d9a486f124b15a56cf71ee94f311 [0,1,0,0,0,0|1,0,2]=4 1771 B12R0.234 C/C=C\CCCNCCCC(=O)N c7841c75b86a4ae04b1608d060ab6971 [0,1,0,0,0,0|2,0,0]=3 1772 B12R0.234 C/C=C\CCCNCCCC(=O)O c983eb4d619cb1ce520c3e38de624b17 [0,1,0,0,0,0|1,0,0]=2 1773 B12R0.234 C/C=C\CCCNCCCS(=O)C 9cbcffa914c97add0e4b85490757f5d9 [0,1,0,0,0,0|3,0,0]=4 1774 B12R0.234 C/C=C\CCCNCCNC(=O)C a9bc33894a4025d193a53d5096632808 [0,1,0,0,0,0|3,0,0]=4 1775 B12R0.234 C/C=C\CCCOC/C=C/C(=O)O 59c3490734d15fa9508407c4b19dbefd [0,1,0,0,0,0|1,0,2]=4 1776 B12R0.234 C/C=C\CCCOCC#CC(=O)O 98adccacddab2aee1f7a47218140131f [0,1,0,0,0,0|1,0,2]=4 1777 B12R0.234 C/C=C\CCCOCC=CC(=O)O c172b8ec3572ec81e620fd561c128d19 [0,1,0,0,0,0|1,0,2]=4 1778 B12R0.234 C/C=C\CCCOCCCC(=O)C b588dafeb9f31b6e578dc29280d06633 [0,1,0,0,0,0|2,0,0]=3 1779 B12R0.234 C/C=C\CCCOCCCC(=O)N a84bf9fad9efd5f02eacc42ff7c3075a [0,1,0,0,0,0|2,0,0]=3 1780 B12R0.234 C/C=C\CCCOCCCC(=O)O 369ec012f996994e31f97312ac91b264 [0,1,0,0,0,0|1,0,0]=2 1781 B12R0.234 C/C=C\CCCOCCC[N+](=O)[O-] 79165089d98b19f66fc83b4126795728 [0,1,0,0,0,0|2,0,1]=4 1782 B12R0.234 C/C=C\CCCOCCNC(=O)C 5eca400c055babb0e03241604a4db833 [0,1,0,0,0,0|3,0,0]=4 1783 B12R0.234 C/C=C\CCCOCCNC(=O)N 35336ccd2aa9055a547bcd62eef8d564 [0,1,0,0,0,0|3,0,0]=4 1784 B12R0.234 C/C=C\CCCOCCOC(=O)C 56a9bca9d773e26d504abe3c793203ae [0,1,0,0,0,0|3,0,0]=4 1785 B12R0.234 C/C=C\CCCOCCSC(=O)C 3e0d5f862461362f7b457195fab95df4 [0,1,0,0,0,0|3,0,0]=4 1786 B12R0.234 C/C=C\CNCCCCCC(=O)N b9ca23ab3a2df088f87b9eeb1c13f4b0 [0,1,0,0,0,0|2,0,0]=3 1787 B12R0.234 C/C=C\CNCCCCCC(=O)O 6282e741b5ebdbdf6c233fb028bf7f41 [0,1,0,0,0,0|1,0,0]=2 1788 B12R0.234 C/C=C\CNCCCCNC(=O)C 4151f00aa8917c4e8ae2560f09c227e7 [0,1,0,0,0,0|3,0,0]=4 1789 B12R0.234 C/C=C\CNCCOCCC(=O)O 025088870621e4a8c8a92d6437d41508 [0,1,0,0,0,0|2,0,0]=3 1790 B12R0.234 C/C=C\COCCCCCC(=O)C 3f92f1f24db2f0f5552aec7bc7c4215b [0,1,0,0,0,0|2,0,0]=3 1791 B12R0.234 C/C=C\COCCCCCC(=O)N 1d63fff3033a4438b36a7df749b5b955 [0,1,0,0,0,0|2,0,0]=3 1792 B12R0.234 C/C=C\COCCCCCC(=O)O 6ea22dd6d0d0819f436fe9dbd365bcbd [0,1,0,0,0,0|1,0,0]=2 1793 B12R0.234 C/C=C\COCCCCOC(=O)C e09d3c733f33614b29332889d7be9b82 [0,1,0,0,0,0|3,0,0]=4 1794 B12R0.234 C/C=C\COCCCCSC(=O)C 6065a6196cb126b059ba5ece1d3127f1 [0,1,0,0,0,0|3,0,0]=4 1795 B12R0.234 C/C=C\COCCCOCC(=O)O 0fd1f0577a525abc1b766f419b317914 [0,1,0,0,0,0|2,0,0]=3 1796 B12R0.234 C/C=C\COCCOCCC(=O)O 914bd1c7a1e1f3f6f3ee5c131e9ab497 [0,1,0,0,0,0|2,0,0]=3 1797 B12R0.234 C=C(Br)CCOCCCCCC=O d35291c2690e69a976a9677fa9937caf [0,1,0,0,0,0|3,0,0]=4 1798 B12R0.234 C=C(Br)CNCCCCCCC=O b80095488cbaa55b0828c5dd7a80bc9b [0,1,0,0,0,0|3,0,0]=4 1799 B12R0.234 C=C(Br)COCCCCCCC=O 5dd4c86f662c4e8a6be0c847df10e6b1 [0,1,0,0,0,0|3,0,0]=4 1800 B12R0.234 C=C(C)CCCOCCC/C=C/C efffa4cde1ab24d5f762f2ebfbf9597c [0,1,0,0,0,0|3,0,0]=4 1801 B12R0.234 C=C(C)CCCOCCC/C=C\C 137bcff1ba89b6b0bc5ed2614c23979f [0,1,0,0,0,0|3,0,0]=4 1802 B12R0.234 C=C(C)CCCOCCCC=CC 332e735983c0870e98fd24e7ec9e2309 [0,1,0,0,0,0|3,0,0]=4 1803 B12R0.234 C=C(C)CCCOCCCCC=O 275c32d763cc856bde2ee4f6b072b959 [0,1,0,0,0,0|3,0,0]=4 1804 B12R0.234 C=C(C)CCNCCCCCC=O 7a38ec1904cb5e89e83622c3f0b3fd60 [0,1,0,0,0,0|3,0,0]=4 1805 B12R0.234 C=C(C)CCOCCCCCC=O 2105edcc0dd5fd9e94c6137989f7a63e [0,1,0,0,0,0|3,0,0]=4 1806 B12R0.234 C=C(C)CNCCCCCCC=O 2f3d355e5189793fa0de9072e6afdd29 [0,1,0,0,0,0|3,0,0]=4 1807 B12R0.234 C=C(C)COCCCCCCC=O 596dba252e418ef8748e4518919b9eec [0,1,0,0,0,0|3,0,0]=4 1808 B12R0.234 C=C(Cl)COCCCCCCC=O f4a88f8da0e91048ba530e4eccd2349f [0,1,0,0,0,0|3,0,0]=4 1809 B12R0.234 C=C(F)COCCCCCCC=O e0650110b809a2d50a8a87fd95c2b46a [0,1,0,0,0,0|3,0,0]=4 1810 B12R0.234 C=C(I)COCCCCCCC=O 98da4a6f4822071e582d6ec071e69c00 [0,1,0,0,0,0|3,0,0]=4 1811 B12R0.234 C=C/C=C/CCNCCCC(=O)C 40980c6c862e7ae54ea4f0dd0cc29d7c [0,1,0,0,0,0|1,0,2]=4 1812 B12R0.234 C=C/C=C/CCNCCCC(=O)N 9486b489f1671c3b2760610af290ece7 [0,1,0,0,0,0|1,0,2]=4 1813 B12R0.234 C=C/C=C/CCNCCCC(=O)O 77c3b64a4dc7abac6e2a9a85e545392c [0,1,0,0,0,0|0,0,2]=3 1814 B12R0.234 C=C=CCCOCCCCC(=O)C 14f26a426cf97bf659541e3f6cb4aac3 [0,1,0,0,0,0|2,0,0]=3 1815 B12R0.234 C=C=CCCOCCCCC(=O)N 1ef2eff6610f5791cad3e9b3b6d104e0 [0,1,0,0,0,0|2,0,0]=3 1816 B12R0.234 C=C=CCCOCCCCC(=O)O d71de521a313033dc1f3006ba721de47 [0,1,0,0,0,0|1,0,0]=2 1817 B12R0.234 C=C=CCCOCCCNC(=O)C ee47e8984ff69167c227ed51c202a38d [0,1,0,0,0,0|3,0,0]=4 1818 B12R0.234 C=C=CCCOCCCOC(=O)C 4f5131a00ae0126fbce0f197fe36d201 [0,1,0,0,0,0|3,0,0]=4 1819 B12R0.234 C=C=CCCOCCCSC(=O)C e83f5b1d92ba290008d4e9ada6dc45c8 [0,1,0,0,0,0|3,0,0]=4 1820 B12R0.234 C=C=CCCOCCOCC(=O)N bb6f2467f44b0d2b035dcccd5bf9697d [0,1,0,0,0,0|3,0,0]=4 1821 B12R0.234 C=C=CCCOCCOCC(=O)O dcb960097a06ae4dba9d3740f32d156c [0,1,0,0,0,0|2,0,0]=3 1822 B12R0.234 C=CCC#CCCOCCC(=O)C 14474dae742b776fe20035a92f4ec79f [0,1,0,0,0,0|1,0,2]=4 1823 B12R0.234 C=CCC#CCCOCCC(=O)N 31bf94e34f8a5a118eaf1cab5244ca55 [0,1,0,0,0,0|1,0,2]=4 1824 B12R0.234 C=CCC#CCCOCCC(=O)O c3b845e5def25d63567e35dbd64fe7db [0,1,0,0,0,0|0,0,2]=3 1825 B12R0.234 C=CCCC/C=C/COCC(=O)N 5ef827fa43d6d8b15250dea43d1c7aea [0,1,0,0,0,0|1,0,2]=4 1826 B12R0.234 C=CCCC/C=C/COCC(=O)O 86eb2b4ee39c0b3172f80cba0003fa4b [0,1,0,0,0,0|0,0,2]=3 1827 B12R0.234 C=CCCCCCCCOC(C)C 0490ca15beca8e27214d9c74ae22873b [0,1,0,0,0,0|2,0,1]=4 1828 B12R0.234 C=CCCCCCCNCC(=C)Br bc5cd5b200cda1a98be4d722d5f7a11a [0,1,0,0,0,0|2,0,0]=3 1829 B12R0.234 C=CCCCCCCNCC(=C)C e0abf98b9da04a47abb6e41600ab46ca [0,1,0,0,0,0|2,0,0]=3 1830 B12R0.234 C=CCCCCCCNCC(=O)C ccf3011da7bfeee2da630d12d508b278 [0,1,0,0,0,0|1,0,0]=2 1831 B12R0.234 C=CCCCCCCNCC(=O)N ed7fcc7f0390eef1fe2018efed029c02 [0,1,0,0,0,0|1,0,0]=2 1832 B12R0.234 C=CCCCCCCNCC(=O)O c6215deee1bb49d247b7c41bf8a90475 [0,1,0,0,0,0|0,0,0]=1 1833 B12R0.234 C=CCCCCCCNCC(C)C 9045791ab4a92fc64e2c98766b0e1e31 [0,1,0,0,0,0|2,0,1]=4 1834 B12R0.234 C=CCCCCCCNCC(C)O aa1c4caf32580790c67f9a7eab048798 [0,1,0,0,0,0|1,0,1]=3 1835 B12R0.234 C=CCCCCCCNCC(F)F af5b8d032b9069088cdc86668fbe91e0 [0,1,0,0,0,0|2,0,1]=4 1836 B12R0.234 C=CCCCCCCNC[C@@H](C)O a8e4809c664052ffd7b92fb8b950b8cd [0,1,0,0,0,0|1,0,1]=3 1837 B12R0.234 C=CCCCCCCNC[C@H](C)O 6120a16d605b2fada5423153b7404172 [0,1,0,0,0,0|1,0,1]=3 1838 B12R0.234 C=CCCCCCCOCC(=C)Br 4db3fcc7a78eb8f0fe64addd03c86fc1 [0,1,0,0,0,0|2,0,0]=3 1839 B12R0.234 C=CCCCCCCOCC(=C)C 5e20dcb06f6a4025add77552475c137e [0,1,0,0,0,0|2,0,0]=3 1840 B12R0.234 C=CCCCCCCOCC(=C)Cl 3be111e8cee03b02f0b4e46bf987b3da [0,1,0,0,0,0|2,0,0]=3 1841 B12R0.234 C=CCCCCCCOCC(=C)F 29f8dc39a92dcc2e3dd769abb21f9c40 [0,1,0,0,0,0|2,0,0]=3 1842 B12R0.234 C=CCCCCCCOCC(=C)I f754a691c613cdff826e6cce68f79727 [0,1,0,0,0,0|2,0,0]=3 1843 B12R0.234 C=CCCCCCCOCC(=O)C f85eb304645f0272519fa3e2a428f491 [0,1,0,0,0,0|1,0,0]=2 1844 B12R0.234 C=CCCCCCCOCC(=O)N cd4c79ba0301e598367fd32f12381cc9 [0,1,0,0,0,0|1,0,0]=2 1845 B12R0.234 C=CCCCCCCOCC(=O)O 07ecee8535ead1b6006b030578b44313 [0,1,0,0,0,0|0,0,0]=1 1846 B12R0.234 C=CCCCCCCOCC(=S)N aa720dc6569e16d9ba6e39273d03a808 [0,1,0,0,0,0|1,1,0]=3 1847 B12R0.234 C=CCCCCCCOCC(C)C 7883c640712bb26932d95a2d56af1584 [0,1,0,0,0,0|2,0,1]=4 1848 B12R0.234 C=CCCCCCCOCC(C)F 64a1965401e6d4df31ed7e336ed97e94 [0,1,0,0,0,0|2,0,1]=4 1849 B12R0.234 C=CCCCCCCOCC(C)S a8cc0c6d9912d7aa36b70fdac0d51395 [0,1,0,0,0,0|1,1,1]=4 1850 B12R0.234 C=CCCCCCCOCC(F)F 7ddf47a22d6ff7bc7f3371459a414d89 [0,1,0,0,0,0|2,0,1]=4 1851 B12R0.234 C=CCCCCCCOCN(C)C be6fac5c7a4c2d9cb098d112749a3c26 [0,1,0,0,0,0|3,0,0]=4 1852 B12R0.234 C=CCCCCCCOCS(=O)O 46ca9c8567f23f5fa84893f044418072 [0,1,0,0,0,0|1,0,0]=2 1853 B12R0.234 C=CCCCCCCOC[C@@H](C)F 0e8337d05bedef7e260f0a06bb37bc8e [0,1,0,0,0,0|2,0,1]=4 1854 B12R0.234 C=CCCCCCCOC[C@H](C)F e0fef888663a9bd106ca47846b2db5aa [0,1,0,0,0,0|2,0,1]=4 1855 B12R0.234 C=CCCCCCCOC[N+](=O)[O-] a6ce884984ab3d5057b953bf6c6203d2 [0,1,0,0,0,0|1,0,1]=3 1856 B12R0.234 C=CCCCCCNC/C=C(/C)\I 74bfbf6420c08d9717e4c95cdb767618 [0,1,0,0,0,0|2,0,1]=4 1857 B12R0.234 C=CCCCCCNC/C=C(\C)/Cl 3690bb9562576a62548120598fc1353e [0,1,0,0,0,0|2,0,1]=4 1858 B12R0.234 C=CCCCCCNCC=C(C)C c8c7583950ed049e9a5165a3b4462a6f [0,1,0,0,0,0|2,0,1]=4 1859 B12R0.234 C=CCCCCCNCC=C(C)Cl 1ea75a903a960c45cf5ebae9daa2018e [0,1,0,0,0,0|2,0,1]=4 1860 B12R0.234 C=CCCCCCNCC=C(C)I 13ca2e57acadaec7b6c4e15c7d1c2c7e [0,1,0,0,0,0|2,0,1]=4 1861 B12R0.234 C=CCCCCCNCC=C(Cl)Cl 922159a4f09046d051cc9e39f9b5226b [0,1,0,0,0,0|2,0,1]=4 1862 B12R0.234 C=CCCCCCNCCC(=C)C 6e1ab6bfe206e71269feaa0c0927147c [0,1,0,0,0,0|2,0,0]=3 1863 B12R0.234 C=CCCCCCNCCC(=O)C 532d918b2850d97488175c956f9b3fe7 [0,1,0,0,0,0|1,0,0]=2 1864 B12R0.234 C=CCCCCCNCCC(=O)N 8782447319405369542d518ccf9c1c2e [0,1,0,0,0,0|1,0,0]=2 1865 B12R0.234 C=CCCCCCNCCC(=O)O d8d722c4901b33452e56ec25a4d3267e [0,1,0,0,0,0|0,0,0]=1 1866 B12R0.234 C=CCCCCCNCCC(=S)N 8d20d084fab873077a8ca2e64604e896 [0,1,0,0,0,0|1,1,0]=3 1867 B12R0.234 C=CCCCCCNCCC(C)C add6211b5c7ebdccf4770f0e33044082 [0,1,0,0,0,0|2,0,1]=4 1868 B12R0.234 C=CCCCCCNCCC(C)O e177d987d9f5bd242e7039a65e47f50a [0,1,0,0,0,0|1,0,1]=3 1869 B12R0.234 C=CCCCCCNCCC(F)F 59976b5b705b93a3277790f428bbfee6 [0,1,0,0,0,0|2,0,1]=4 1870 B12R0.234 C=CCCCCCNCCN(C)C 259d0917ae2873390e9825d6fd13800e [0,1,0,0,0,0|3,0,0]=4 1871 B12R0.234 C=CCCCCCNCCS(=O)C e953e2a7312713b8dc9acfb2a23488ce [0,1,0,0,0,0|2,0,0]=3 1872 B12R0.234 C=CCCCCCNCCS(=O)O 52612a88a28498c94ae4fb61e29e8f1d [0,1,0,0,0,0|1,0,0]=2 1873 B12R0.234 C=CCCCCCNCC[C@@H](C)O 91379c7c9bcb5468bb676af7d2aa61f6 [0,1,0,0,0,0|1,0,1]=3 1874 B12R0.234 C=CCCCCCNCC[C@H](C)O 07acf4a31ba3b23891fda7d94e6dc379 [0,1,0,0,0,0|1,0,1]=3 1875 B12R0.234 C=CCCCCCNCOC(=O)C 27c5af11d4e86c7334424f93ba2f16af [0,1,0,0,0,0|2,0,0]=3 1876 B12R0.234 C=CCCCCCNCSC(=O)N 47fa57969c14b4f29ac68330b7c4d542 [0,1,0,0,0,0|2,0,0]=3 1877 B12R0.234 C=CCCCCCOC/C=C(/C)\Cl 5c357bfd8a96608b94c0043ccebf9984 [0,1,0,0,0,0|2,0,1]=4 1878 B12R0.234 C=CCCCCCOC/C=C(/C)\I da9082cac82645f28cc7c4659c0bb17c [0,1,0,0,0,0|2,0,1]=4 1879 B12R0.234 C=CCCCCCOC/C=C(\C)/Cl 7ff77be0ba2003b7006cc68723ae65b2 [0,1,0,0,0,0|2,0,1]=4 1880 B12R0.234 C=CCCCCCOCC=C(C)C 6582759836efa66c27c01a448f7d4af1 [0,1,0,0,0,0|2,0,1]=4 1881 B12R0.234 C=CCCCCCOCC=C(C)Cl e590813feae9df9bbeb59f1fa663e72d [0,1,0,0,0,0|2,0,1]=4 1882 B12R0.234 C=CCCCCCOCC=C(C)I bdef0c4a11032bfa797f503462dea7c9 [0,1,0,0,0,0|2,0,1]=4 1883 B12R0.234 C=CCCCCCOCC=C(Cl)Cl 3d42ef9e7e8f6e577c28dc192cdfb73d [0,1,0,0,0,0|2,0,1]=4 1884 B12R0.234 C=CCCCCCOCCC(=C)Br f8e05aef53ea50ea5104273779f449d8 [0,1,0,0,0,0|2,0,0]=3 1885 B12R0.234 C=CCCCCCOCCC(=C)C ad527bbcbdba5035086c7493759c075d [0,1,0,0,0,0|2,0,0]=3 1886 B12R0.234 C=CCCCCCOCCC(=O)C 8b58280b5132ff949f417d026c3bcf16 [0,1,0,0,0,0|1,0,0]=2 1887 B12R0.234 C=CCCCCCOCCC(=O)N bc3b081db9f1fcf925bb4546d2f9a44a [0,1,0,0,0,0|1,0,0]=2 1888 B12R0.234 C=CCCCCCOCCC(=O)O d95bb7e052d8d80a4d7943942946a737 [0,1,0,0,0,0|0,0,0]=1 1889 B12R0.234 C=CCCCCCOCCC(C)C d37da8f859b0476c79f1ee1289aa66c1 [0,1,0,0,0,0|2,0,1]=4 1890 B12R0.234 C=CCCCCCOCCC(F)F 916d653eeb005b17235bdf0b1c3b6d15 [0,1,0,0,0,0|2,0,1]=4 1891 B12R0.234 C=CCCCCCOCCN(C)C a7757acccde56a621a85ae44058288fb [0,1,0,0,0,0|3,0,0]=4 1892 B12R0.234 C=CCCCCCOCCS(=O)C 626b4c6ed696792eeef339589931e5e9 [0,1,0,0,0,0|2,0,0]=3 1893 B12R0.234 C=CCCCCCOCC[N+](=O)[O-] 39ab3a900b0a5f0d5c11fffcfd11f366 [0,1,0,0,0,0|1,0,1]=3 1894 B12R0.234 C=CCCCCCOCNC(=O)C a3f64b5acb1927fc225289333d844307 [0,1,0,0,0,0|2,0,0]=3 1895 B12R0.234 C=CCCCCCOCNC(=O)N 47585537d9acf19961a268e5d52fe730 [0,1,0,0,0,0|2,0,0]=3 1896 B12R0.234 C=CCCCCCOCOC(=O)C 68f25ef5ae0572d274b2c190e09e1887 [0,1,0,0,0,0|2,0,0]=3 1897 B12R0.234 C=CCCCCCOCSC(=O)N 2a5ce7cf4ebed8257537e4deeeb46dc2 [0,1,0,0,0,0|2,0,0]=3 1898 B12R0.234 C=CCCCCNC/C=C/C(=O)O 3d68726c4fc3441031320a998cffe6ef [0,1,0,0,0,0|0,0,2]=3 1899 B12R0.234 C=CCCCCNCC#CC(=O)N 77b923627d8d63015be9c9c00775c2ec [0,1,0,0,0,0|1,0,2]=4 1900 B12R0.234 C=CCCCCNCC#CC(=O)O 9e83ad87f2b1015aa103b699bb72a568 [0,1,0,0,0,0|0,0,2]=3 1901 B12R0.234 C=CCCCCNCC=CC(=O)O ab86c4aaed0a19b4cbda53e14531928f [0,1,0,0,0,0|0,0,2]=3 1902 B12R0.234 C=CCCCCNCCC=C(C)C cf5d3d15872928e54096e67727dc9868 [0,1,0,0,0,0|2,0,1]=4 1903 B12R0.234 C=CCCCCNCCC=C(F)F 46923b652fb317ce46f32f8147103f91 [0,1,0,0,0,0|2,0,1]=4 1904 B12R0.234 C=CCCCCNCCCC(=C)C 4e261da01299a9e865339d4268344dc2 [0,1,0,0,0,0|2,0,0]=3 1905 B12R0.234 C=CCCCCNCCCC(=O)C 412e3d17fc39f61d153bf0f26c68754b [0,1,0,0,0,0|1,0,0]=2 1906 B12R0.234 C=CCCCCNCCCC(=O)N 8bf4a49b21904fa7b80de9718336fe0c [0,1,0,0,0,0|1,0,0]=2 1907 B12R0.234 C=CCCCCNCCCC(=O)O 6ba1109bc9abb9173e0e2923dcac644f [0,1,0,0,0,0|0,0,0]=1 1908 B12R0.234 C=CCCCCNCCCC(C)C 406665ea5ab01a667937351d2a34a6aa [0,1,0,0,0,0|2,0,1]=4 1909 B12R0.234 C=CCCCCNCCCC(C)O 84805df8f44b793b34c9603dfb3a4e33 [0,1,0,0,0,0|1,0,1]=3 1910 B12R0.234 C=CCCCCNCCCN(C)C 885cb6342c7f87a1b67a4671acf04199 [0,1,0,0,0,0|3,0,0]=4 1911 B12R0.234 C=CCCCCNCCCS(=O)C 41e5ed109d9826ec97efc886d343fd34 [0,1,0,0,0,0|2,0,0]=3 1912 B12R0.234 C=CCCCCNCCC[N+](=O)[O-] d82a19e73a91394ed64a3fca674910ca [0,1,0,0,0,0|1,0,1]=3 1913 B12R0.234 C=CCCCCNCCNC(=O)C c538e069449d16d1d816087f0c403818 [0,1,0,0,0,0|2,0,0]=3 1914 B12R0.234 C=CCCCCNCCNC(=O)N 54b2cad75d8fab2c91082810a1829312 [0,1,0,0,0,0|2,0,0]=3 1915 B12R0.234 C=CCCCCNCCNC(=S)N 61e3bc68f7f2fd393f7479bd5e06a42f [0,1,0,0,0,0|2,1,0]=4 1916 B12R0.234 C=CCCCCNCCOC(=O)C 695b66a6afd8f7a641b722cad61ea6ac [0,1,0,0,0,0|2,0,0]=3 1917 B12R0.234 C=CCCCCNCCSC(=O)C 0b75e53e0cb1688e06559468dbfddae6 [0,1,0,0,0,0|2,0,0]=3 1918 B12R0.234 C=CCCCCOC/C=C/C(=O)O a0447754fd98dda54236c19098a13788 [0,1,0,0,0,0|0,0,2]=3 1919 B12R0.234 C=CCCCCOCC#CC(=O)O 77f3b53061781a688b63c85ba0ad529b [0,1,0,0,0,0|0,0,2]=3 1920 B12R0.234 C=CCCCCOCC=CC(=O)O 4b52601c10b5ebbf9aa49de6f7ed563d [0,1,0,0,0,0|0,0,2]=3 1921 B12R0.234 C=CCCCCOCCC=C(C)C db7264384376afa43bdfd18f9c501f40 [0,1,0,0,0,0|2,0,1]=4 1922 B12R0.234 C=CCCCCOCCC=C(F)F 0113cb45274b8402456a4b89da39f59c [0,1,0,0,0,0|2,0,1]=4 1923 B12R0.234 C=CCCCCOCCCC(=C)C 353f594d2924fa80e27ea85428088ddb [0,1,0,0,0,0|2,0,0]=3 1924 B12R0.234 C=CCCCCOCCCC(=O)C c12520f5c77e03d47ff13104e4239b23 [0,1,0,0,0,0|1,0,0]=2 1925 B12R0.234 C=CCCCCOCCCC(=O)N 90730f41d56c4631dd17375a5b2a9a7b [0,1,0,0,0,0|1,0,0]=2 1926 B12R0.234 C=CCCCCOCCCC(=O)O a43657dac498876cb96860b62a6c0cc2 [0,1,0,0,0,0|0,0,0]=1 1927 B12R0.234 C=CCCCCOCCCC(C)C 07efa0ba5b464c89d8bfcfacfecaeb9e [0,1,0,0,0,0|2,0,1]=4 1928 B12R0.234 C=CCCCCOCCCN(C)C b6c68bddc40c5cf8d6bed18ad8519744 [0,1,0,0,0,0|3,0,0]=4 1929 B12R0.234 C=CCCCCOCCC[N+](=O)[O-] 40b98260b3649d599e8d53615e574c91 [0,1,0,0,0,0|1,0,1]=3 1930 B12R0.234 C=CCCCCOCCNC(=O)C 33042219be7a7a97de0532effae46618 [0,1,0,0,0,0|2,0,0]=3 1931 B12R0.234 C=CCCCCOCCNC(=O)N de1e63559a5712f65e46a76626b66a2d [0,1,0,0,0,0|2,0,0]=3 1932 B12R0.234 C=CCCCCOCCNC(=S)N dddc0f5a9bb216b4bfb85246d7f7a4df [0,1,0,0,0,0|2,1,0]=4 1933 B12R0.234 C=CCCCCOCCOC(=O)C 1019ed23352c78e4ead6a4f99c13aa56 [0,1,0,0,0,0|2,0,0]=3 1934 B12R0.234 C=CCCCCOCCSC(=O)C 0c056ef82cbae08ee7c5943cb6896809 [0,1,0,0,0,0|2,0,0]=3 1935 B12R0.234 C=CCCCNCCCCC(=O)C 369d8c68d09338e373ee17bcd7874bd9 [0,1,0,0,0,0|1,0,0]=2 1936 B12R0.234 C=CCCCNCCCCC(=O)N b41f03fc6ef5317f5a000fa18488dcf9 [0,1,0,0,0,0|1,0,0]=2 1937 B12R0.234 C=CCCCNCCCCC(=O)O 52f7f78bd83d108bd973653fb2a85d69 [0,1,0,0,0,0|0,0,0]=1 1938 B12R0.234 C=CCCCNCCCCC(C)C b64fdd075790c9fad346375851fab253 [0,1,0,0,0,0|2,0,1]=4 1939 B12R0.234 C=CCCCNCCCCC(C)O d921fe1675d6e561c243932f6f967cf0 [0,1,0,0,0,0|1,0,1]=3 1940 B12R0.234 C=CCCCNCCCCC(F)F fca6e8003cd231b02d48151ba278dbd4 [0,1,0,0,0,0|2,0,1]=4 1941 B12R0.234 C=CCCCNCCCCN(C)C fbb9cc71f316fdb7a52ade699a5b6ece [0,1,0,0,0,0|3,0,0]=4 1942 B12R0.234 C=CCCCNCCCC[C@@H](C)O 08fac867659ebb0b6021a49193c7476c [0,1,0,0,0,0|1,0,1]=3 1943 B12R0.234 C=CCCCNCCCNC(=O)C 333e8da308c0f4345aedb370fd10b83a [0,1,0,0,0,0|2,0,0]=3 1944 B12R0.234 C=CCCCNCCCOC(=O)C 9b256f85c043eb5de2f671b114ebfa06 [0,1,0,0,0,0|2,0,0]=3 1945 B12R0.234 C=CCCCNCCCOC(=S)C 28a3c8a09f854628386e68ffbb2f6f0a [0,1,0,0,0,0|2,1,0]=4 1946 B12R0.234 C=CCCCNCCCSC(=O)C 6cc8b97a31929f439b47b1d739c32e03 [0,1,0,0,0,0|2,0,0]=3 1947 B12R0.234 C=CCCCNCCOCC(=O)N 781b85e97005675d5615caaa3623e659 [0,1,0,0,0,0|2,0,0]=3 1948 B12R0.234 C=CCCCNCCOCC(=O)O 5513974772c4582a2f8fb7ec6ce80384 [0,1,0,0,0,0|1,0,0]=2 1949 B12R0.234 C=CCCCNCCSCC(=O)O 9ef3dade6e86ab6c4da89884102904d1 [0,1,0,0,0,0|1,0,0]=2 1950 B12R0.234 C=CCCCOCCC#CC(=O)O 1b3e9d7ddb7e210e14d7436d50b2a4cd [0,1,0,0,0,0|0,0,2]=3 1951 B12R0.234 C=CCCCOCCCCC(=O)C 56f4a00516b4d8a6d9a553e42caf5b8e [0,1,0,0,0,0|1,0,0]=2 1952 B12R0.234 C=CCCCOCCCCC(=O)N 084f42b41a46fe008965965c687f42e7 [0,1,0,0,0,0|1,0,0]=2 1953 B12R0.234 C=CCCCOCCCCC(=O)O 65dcc61ecba60d9c5ac73314791b4f83 [0,1,0,0,0,0|0,0,0]=1 1954 B12R0.234 C=CCCCOCCCCC(C)C 98b6865a7501bc29e2de75d1849b948f [0,1,0,0,0,0|2,0,1]=4 1955 B12R0.234 C=CCCCOCCCCN(C)C 7a9659f4cfa103b55ea271d3f667f3b0 [0,1,0,0,0,0|3,0,0]=4 1956 B12R0.234 C=CCCCOCCCC[N+](=O)[O-] e1b9b2a23158b44006d7e68bd987ce84 [0,1,0,0,0,0|1,0,1]=3 1957 B12R0.234 C=CCCCOCCCNC(=O)C 3d19ec861d8252b1f013d962c8b45444 [0,1,0,0,0,0|2,0,0]=3 1958 B12R0.234 C=CCCCOCCCOC(=O)C 423ce61c236505262699bd372e40722d [0,1,0,0,0,0|2,0,0]=3 1959 B12R0.234 C=CCCCOCCCOC(=S)C fa80cc421898a55cca6f1b37825cdb22 [0,1,0,0,0,0|2,1,0]=4 1960 B12R0.234 C=CCCCOCCCO[N+](=O)[O-] 80e5047a52401bf72bdb7d1a03c6fc11 [0,1,0,0,0,0|2,0,1]=4 1961 B12R0.234 C=CCCCOCCCSC(=O)C 4d47ec10639b5db8e3878f7cfb5488ea [0,1,0,0,0,0|2,0,0]=3 1962 B12R0.234 C=CCCCOCCOCC(=C)C 490cfa9c147946fd451b673acce383f9 [0,1,0,0,0,0|3,0,0]=4 1963 B12R0.234 C=CCCCOCCOCC(=O)N 3bb6b46e1e83da5ea6cbe5ecef8748f0 [0,1,0,0,0,0|2,0,0]=3 1964 B12R0.234 C=CCCCOCCOCC(=O)O c3bb5a27bfe2270d589143d812961b90 [0,1,0,0,0,0|1,0,0]=2 1965 B12R0.234 C=CCCCOCCSCC(=O)N 300315ba9fa7bb4eb8d7523a7bdbcdf8 [0,1,0,0,0,0|2,0,0]=3 1966 B12R0.234 C=CCCNCCCCCC(=O)C 47fda6c6f6bdb4e9d2129c824e72994c [0,1,0,0,0,0|1,0,0]=2 1967 B12R0.234 C=CCCNCCCCCC(=O)N 61b4d8c5503c8c1c8341b2d89a792008 [0,1,0,0,0,0|1,0,0]=2 1968 B12R0.234 C=CCCNCCCCCC(=O)O 4237c77165ae66df7d7aff2ab949dab2 [0,1,0,0,0,0|0,0,0]=1 1969 B12R0.234 C=CCCNCCCCCC(C)C 56332a7c12b0cf8f962ef2cdaf0c809d [0,1,0,0,0,0|2,0,1]=4 1970 B12R0.234 C=CCCNCCCCCC(F)F a31565929ca7f3f2b8232c82a0d4e5a3 [0,1,0,0,0,0|2,0,1]=4 1971 B12R0.234 C=CCCNCCCCCN(C)C c0e77de66d28a6c1c6c083793b4f0e83 [0,1,0,0,0,0|3,0,0]=4 1972 B12R0.234 C=CCCNCCCCNC(=O)C b55fb2bc626ba7579e23f6518bb0fce5 [0,1,0,0,0,0|2,0,0]=3 1973 B12R0.234 C=CCCNCCCCOC(=O)C 04666b5ec0e7ce9ea4a20a6ac2ed1ad8 [0,1,0,0,0,0|2,0,0]=3 1974 B12R0.234 C=CCCNCCCCSC(=O)C 3950ef55e822a919168932f877bc7033 [0,1,0,0,0,0|2,0,0]=3 1975 B12R0.234 C=CCCNCCCOCC(=O)O f222e0136be89851e2ea8a76d1eac564 [0,1,0,0,0,0|1,0,0]=2 1976 B12R0.234 C=CCCNCCOCCC(=O)O 06bff322563de274f191bcc8a3f3cfb3 [0,1,0,0,0,0|1,0,0]=2 1977 B12R0.234 C=CCCNCOCCOC(=O)C e518edce3cfc4011513545ba9173c660 [0,1,0,0,0,0|3,0,0]=4 1978 B12R0.234 C=CCCOCCCCCC(=O)C fed730609038cca4b91e741427488402 [0,1,0,0,0,0|1,0,0]=2 1979 B12R0.234 C=CCCOCCCCCC(=O)N 8387d4f6c9daa9c4f45e8d0d93394a2c [0,1,0,0,0,0|1,0,0]=2 1980 B12R0.234 C=CCCOCCCCCC(=O)O e028b35c06c71ddf8c7ae7ab188dbe20 [0,1,0,0,0,0|0,0,0]=1 1981 B12R0.234 C=CCCOCCCCCC(C)C 1e7433b46e3d55eb11edbf54a00e732c [0,1,0,0,0,0|2,0,1]=4 1982 B12R0.234 C=CCCOCCCCCC(F)F f169998633ec651ae78a70d81d8b865d [0,1,0,0,0,0|2,0,1]=4 1983 B12R0.234 C=CCCOCCCCCN(C)C 8204ba873da1415302c194b2870c9b25 [0,1,0,0,0,0|3,0,0]=4 1984 B12R0.234 C=CCCOCCCCOC(=O)C a6282538351b968a2f59ed1c96e9ab3e [0,1,0,0,0,0|2,0,0]=3 1985 B12R0.234 C=CCCOCCCCSC(=O)C c37f4ceac7ab8807fe44e55d2cfa783c [0,1,0,0,0,0|2,0,0]=3 1986 B12R0.234 C=CCCOCCCOCC(=O)O bc773080251954c43f6c95d7fec9afbd [0,1,0,0,0,0|1,0,0]=2 1987 B12R0.234 C=CCCOCCCOCC(=S)N 550a05b99a8d8cd11a7ff48eba07c604 [0,1,0,0,0,0|2,1,0]=4 1988 B12R0.234 C=CCCOCCOCCC(=O)O 98fe3caa0d95a217252700dbadff6719 [0,1,0,0,0,0|1,0,0]=2 1989 B12R0.234 C=CCCOCOCCOC(=O)C 6ad759f93641c71f8b3e38c0c94a22b1 [0,1,0,0,0,0|3,0,0]=4 1990 B12R0.234 C=CCNCCCCCCC(=O)O a661fbde46e64120534ed2415e645826 [0,1,0,0,0,0|0,0,0]=1 1991 B12R0.234 C=CCNCCCCCCC(C)C f273f4212d378f30c58802a18b60b44e [0,1,0,0,0,0|2,0,1]=4 1992 B12R0.234 C=CCNCCCCCCN(C)C 8a7de69de386b5318b19af0313167861 [0,1,0,0,0,0|3,0,0]=4 1993 B12R0.234 C=CCNCCCCCNC(=O)C 947b289eda5cd9af9d174df13c8a01e8 [0,1,0,0,0,0|2,0,0]=3 1994 B12R0.234 C=CCNCCCSCCC(=O)N bbeb85b60082c1d5b8b6601f50dd296c [0,1,0,0,0,0|2,0,0]=3 1995 B12R0.234 C=CCNCCSSCCC(=O)O c9a4ee2ceb3268a7dbd388f2de884a6a [0,1,0,0,0,0|2,0,0]=3 1996 B12R0.234 C=CCOCCCCCCC(=O)N d5366d17ad17b5c497622228c6fbf1f5 [0,1,0,0,0,0|1,0,0]=2 1997 B12R0.234 C=CCOCCCCCCC(=O)O f192cd7ed4d95fab5c1752169f3ee8eb [0,1,0,0,0,0|0,0,0]=1 1998 B12R0.234 C=CCOCCCCCCC(C)C 4f222be23bbbd8f41196e1c1c7075b65 [0,1,0,0,0,0|2,0,1]=4 1999 B12R0.234 C=CCOCCCCCCN(C)C c9f5dda68fc812186df0d72cf5aa0057 [0,1,0,0,0,0|3,0,0]=4 2000 B12R0.234 C=CCOCCNC/C=C/C(=O)O 2a795c7464d8be465e6ecced586b19e8 [0,1,0,0,0,0|1,0,2]=4 2001 B12R0.234 C=CCOCCNCC#CC(=O)O a4c213e19281144e8efc65f49ad5eafb [0,1,0,0,0,0|1,0,2]=4 2002 B12R0.234 C=CCOCCNCC=CC(=O)O b85beba715982bd3f6cddcb835f64965 [0,1,0,0,0,0|1,0,2]=4 2003 B12R0.234 C=CCOCCNCCCC(=O)N 2be7f9f71355cc0209473f533c0be115 [0,1,0,0,0,0|2,0,0]=3 2004 B12R0.234 C=CCOCCNCCCC(=O)O 63af6b9a59adfc1e1a0d86f67a090436 [0,1,0,0,0,0|1,0,0]=2 2005 B12R0.234 C=CCOCCNCCCS(=O)C 431e83769626a622c222a15f5a9f24b4 [0,1,0,0,0,0|3,0,0]=4 2006 B12R0.234 C=CCOCCNCCNC(=O)C 26cf8c1b60efcb28073b3778159123bf [0,1,0,0,0,0|3,0,0]=4 2007 B12R0.234 C=CCOCCOC/C=C/C(=O)O 058f700ae4e6f456f694c6aff64eaa7c [0,1,0,0,0,0|1,0,2]=4 2008 B12R0.234 C=CCOCCOCC#CC(=O)O 33ef8fa5b81fbe495cfd9c997b6d23c9 [0,1,0,0,0,0|1,0,2]=4 2009 B12R0.234 C=CCOCCOCC=CC(=O)O e66ee55fcf14ee9805fd4437b6cf88f5 [0,1,0,0,0,0|1,0,2]=4 2010 B12R0.234 C=CCOCCOCCCC(=C)C 4a37d6c9a90e8cb2ed811600bc10148b [0,1,0,0,0,0|3,0,0]=4 2011 B12R0.234 C=CCOCCOCCCC(=O)C 12829a3830a74b944ed8891a9d6dd15a [0,1,0,0,0,0|2,0,0]=3 2012 B12R0.234 C=CCOCCOCCCC(=O)N 553de76d2e0db660214e3a4b9550e208 [0,1,0,0,0,0|2,0,0]=3 2013 B12R0.234 C=CCOCCOCCCC(=O)O f1f8292f7b469955137058bfd84d4614 [0,1,0,0,0,0|1,0,0]=2 2014 B12R0.234 C=CCOCCOCCC[N+](=O)[O-] 251251c342ba916c3dc826d34c0eca5c [0,1,0,0,0,0|2,0,1]=4 2015 B12R0.234 C=CCOCCOCCNC(=O)C b74ee2d30fc420c9800525c310b8f84d [0,1,0,0,0,0|3,0,0]=4 2016 B12R0.234 C=CCOCCOCCNC(=O)N 9f7765b6266c05d7ba17ed71550d3124 [0,1,0,0,0,0|3,0,0]=4 2017 B12R0.234 C=CCOCCOCCOC(=O)C d503daa0d84e4733e6a9df4a1eee3f89 [0,1,0,0,0,0|3,0,0]=4 2018 B12R0.234 C=CCOCCOCCSC(=O)C ddbfc084dd9b5502ad7d583b8aed5bd1 [0,1,0,0,0,0|3,0,0]=4 2019 B12R0.234 C=CCOCCSSCCC(=O)O 2cdca48716bf004d5da7ba3fb1a1137f [0,1,0,0,0,0|2,0,0]=3 2020 B12R0.234 C=COCCCCOCCC(=C)C c3b24c151eb27212963cf4e4d43b63a6 [0,1,0,0,0,0|3,0,0]=4 2021 B12R0.234 C=COCCCCOCCC(=O)C 837e10609dc98c2d27af22070a399670 [0,1,0,0,0,0|2,0,0]=3 2022 B12R0.234 C=COCCCCOCCC(=O)N c494238346c89b9b1f6b114c2e3cac8b [0,1,0,0,0,0|2,0,0]=3 2023 B12R0.234 C=COCCCCOCCC(=O)O e1fa7ecc76b86e1928a47d9c1a318661 [0,1,0,0,0,0|1,0,0]=2 2024 B12R0.234 C=COCCCCOCCS(=O)C 1fd897b431bbfe5b69258060a22cad47 [0,1,0,0,0,0|3,0,0]=4 2025 B12R0.234 C=COCCCCOCOC(=O)C 2b04a1bb0d51a536af2467bba2369abd [0,1,0,0,0,0|3,0,0]=4 2026 B12R0.234 C=COCCCCOCSC(=O)N 0416c497b4fac4cc84177473deb046fb [0,1,0,0,0,0|3,0,0]=4 2027 B12R0.234 C=COCCCNC/C=C/C(=O)O 488da69c396d15c67dd8be39909c46ef [0,1,0,0,0,0|1,0,2]=4 2028 B12R0.234 C=COCCCNCC=CC(=O)O be65fc45284916b06858adbfd7041fd7 [0,1,0,0,0,0|1,0,2]=4 2029 B12R0.234 C=COCCCNCCCC(=C)C ad450b234005966e68e63ec3b4e7985c [0,1,0,0,0,0|3,0,0]=4 2030 B12R0.234 C=COCCCNCCCC(=O)C 31e63b6a1e62fe9df8e98cc1195e37eb [0,1,0,0,0,0|2,0,0]=3 2031 B12R0.234 C=COCCCNCCCC(=O)N a0c4294b1185e65ac3aa92e2493495f3 [0,1,0,0,0,0|2,0,0]=3 2032 B12R0.234 C=COCCCNCCCC(C)O b8678c7326608d76b51bb7dbbe37b9f2 [0,1,0,0,0,0|2,0,1]=4 2033 B12R0.234 C=COCCCNCCC[N+](=O)[O-] a18f4e7dd097625c58ce6207b81617ca [0,1,0,0,0,0|2,0,1]=4 2034 B12R0.234 C=COCCCNCCNC(=O)C 8e4ed7b9ac9c943ed902cdab5cb455a5 [0,1,0,0,0,0|3,0,0]=4 2035 B12R0.234 C=COCCCNCCNC(=O)N 9cdc34ec150f738aa49b3b6ca20d006c [0,1,0,0,0,0|3,0,0]=4 2036 B12R0.234 C=COCCCNCCOC(=O)C af4705439350b9aa09aac3df24c44763 [0,1,0,0,0,0|3,0,0]=4 2037 B12R0.234 C=COCCCNCCSC(=O)C 8dd986544e5bfd75e9a4ffdfbf708a25 [0,1,0,0,0,0|3,0,0]=4 2038 B12R0.234 C=COCCNCCCCC(=O)C df38fdddc280080531d28468c5afb7a3 [0,1,0,0,0,0|2,0,0]=3 2039 B12R0.234 C=COCCNCCCCC(=O)N 9836f4967602764f4b4d2793dc4f30c8 [0,1,0,0,0,0|2,0,0]=3 2040 B12R0.234 C=COCCNCCCCC(=O)O a3582b72696468bad7eeda518224ef9b [0,1,0,0,0,0|1,0,0]=2 2041 B12R0.234 C=COCCNCCCCC(C)O fddb5914d78197b492ee6976e564d567 [0,1,0,0,0,0|2,0,1]=4 2042 B12R0.234 C=COCCNCCCC[C@@H](C)O 76d68446fa09d4ec908c4a35abc5a2c8 [0,1,0,0,0,0|2,0,1]=4 2043 B12R0.234 C=COCCNCCCNC(=O)C 16cd7e552ec2b1664350c2d29d0a9b8e [0,1,0,0,0,0|3,0,0]=4 2044 B12R0.234 C=COCCNCCCOC(=O)C ae20bd8f8f8d2cd34aa52e7053a97635 [0,1,0,0,0,0|3,0,0]=4 2045 B12R0.234 C=COCCNCCCSC(=O)C 628394e181a2aa315a4398225f701ca2 [0,1,0,0,0,0|3,0,0]=4 2046 B12R0.234 C=COCCNCCOCC(=O)N f7738b15605fa5d8a3e86de3e0a8ba17 [0,1,0,0,0,0|3,0,0]=4 2047 B12R0.234 C=COCCNCCOCC(=O)O 618db5276ba83e3648cff4dc62e54dac [0,1,0,0,0,0|2,0,0]=3 2048 B12R0.234 C=COCCOCCCCC(=O)C 6c4b35835a3680a13be11993f5b07f5d [0,1,0,0,0,0|2,0,0]=3 2049 B12R0.234 C=COCCOCCCCC(=O)N 1fd1c80340ded7b307bd9bd98b639a65 [0,1,0,0,0,0|2,0,0]=3 2050 B12R0.234 C=COCCOCCCCC(=O)O e571bc7de021e89c06092f9eca213c3f [0,1,0,0,0,0|1,0,0]=2 2051 B12R0.234 C=COCCOCCCNC(=O)C b78581306ca4e4a9ca497ad1e4cc77e6 [0,1,0,0,0,0|3,0,0]=4 2052 B12R0.234 C=COCCOCCCOC(=O)C d62d29cbc1b2260fe6b347ebae016edb [0,1,0,0,0,0|3,0,0]=4 2053 B12R0.234 C=COCCOCCCSC(=O)C fb3666d325e6b78dba7feaadbd84fcc6 [0,1,0,0,0,0|3,0,0]=4 2054 B12R0.234 C=COCCOCCOCC(=O)N 52ccfd9b0164d086361a50df71119073 [0,1,0,0,0,0|3,0,0]=4 2055 B12R0.234 C=COCCOCCOCC(=O)O efc282f12aefc2b171e5cb482535cb51 [0,1,0,0,0,0|2,0,0]=3 2056 B12R0.234 CC#CCCCOCCCC(=O)O bf816e4e198df0afd7e3aed9ef1c6fde [0,1,0,0,0,0|0,0,3]=4 2057 B12R0.234 CC#CCCOCCCCC(=O)O 9a9aec0a6b638d31b610fb9ae40a5406 [0,1,0,0,0,0|0,0,3]=4 2058 B12R0.234 CC(=O)CCCCCCCOCF 400628823d7e12e9c1d4d620949a9c16 [0,1,0,0,0,0|2,0,1]=4 2059 B12R0.234 CC(=O)CCCCCNCCC#N 0fbc2a18dd40d7e6a631ee6e6fb3f737 [0,1,0,0,0,0|2,0,1]=4 2060 B12R0.234 CC(=O)CCCCCNCCCCl 9900220f01677152aba4e3e2be184192 [0,1,0,0,0,0|2,0,1]=4 2061 B12R0.234 CC(=O)CCCCCNCCCO 0fa3e24d1a28ada7a04811b29c7c0297 [0,1,0,0,0,0|2,0,1]=4 2062 B12R0.234 CC(=O)CCCCCNCCON 49bdb1d8aa466c70cdd80c17d398a4b4 [0,1,0,0,0,0|3,0,0]=4 2063 B12R0.234 CC(=O)CCCCCOC/C=C/Cl 6351b1e36e273af65b22ed01d7ef931f [0,1,0,0,0,0|2,0,0]=3 2064 B12R0.234 CC(=O)CCCCCOCC=CCl 6c3246f6ae4322dff701bc4c7231c275 [0,1,0,0,0,0|2,0,0]=3 2065 B12R0.234 CC(=O)CCCCCOCCC#N 838ff0778928d8afcef51a01a7106041 [0,1,0,0,0,0|2,0,1]=4 2066 B12R0.234 CC(=O)CCCCCOCCC=O 0299c7a84fd7e27f4198deac07edcedf [0,1,0,0,0,0|2,0,0]=3 2067 B12R0.234 CC(=O)CCCCCOCCCF aea5617ec8d11b226901e62fa772bfb5 [0,1,0,0,0,0|2,0,1]=4 2068 B12R0.234 CC(=O)CCCCCOCCCS adb0a1cbbbe885195480894115f237b3 [0,1,0,0,0,0|2,0,1]=4 2069 B12R0.234 CC(=O)CCCCNCCCC#N 5c4adcbba184a769e84237eff912da02 [0,1,0,0,0,0|2,0,1]=4 2070 B12R0.234 CC(=O)CCCCNCCCCCl 6a5b6c28d5acc9a7cea35bbb482ffe5f [0,1,0,0,0,0|2,0,1]=4 2071 B12R0.234 CC(=O)CCCCNCCCCO e13aaafff6bf678a31c0d746365aac47 [0,1,0,0,0,0|2,0,1]=4 2072 B12R0.234 CC(=O)CCCCNCCCCS b7e95352f9d624897b4fceefaf09bdf1 [0,1,0,0,0,0|2,0,1]=4 2073 B12R0.234 CC(=O)CCCCOC/C=C/C=O db88c9e2f7d335bf3643ec61dde428dc [0,1,0,0,0,0|2,0,1]=4 2074 B12R0.234 CC(=O)CCCCOCCCC#N b7ca9e2602d8d9e3bf14c4e35943850c [0,1,0,0,0,0|2,0,1]=4 2075 B12R0.234 CC(=O)CCCCOCCCC=O 53d7c54e1bb55fa43e86eb862d3d798c [0,1,0,0,0,0|2,0,0]=3 2076 B12R0.234 CC(=O)CCCCOCCCCF 7abba6153d13b440bd25e9931a8a92e4 [0,1,0,0,0,0|2,0,1]=4 2077 B12R0.234 CC(=O)CCCCOCCCCS 72bd4739b616c34b3e153f9a5c4facf6 [0,1,0,0,0,0|2,0,1]=4 2078 B12R0.234 CC(=O)CCCCOCCNC=O 4573bd5e5874e9dc5c3794f929be95e5 [0,1,0,0,0,0|3,0,0]=4 2079 B12R0.234 CC(=O)CCCCOCCOC=O ba6187dec17a3a28dca38616a01ff5f3 [0,1,0,0,0,0|3,0,0]=4 2080 B12R0.234 CC(=O)CCCNCCCCC#N 8f157d90ba13f123b695b367c7eff945 [0,1,0,0,0,0|2,0,1]=4 2081 B12R0.234 CC(=O)CCCNCCCCCCl 5c10b1a5408326b2f4b5cbe2c76de09a [0,1,0,0,0,0|2,0,1]=4 2082 B12R0.234 CC(=O)CCCNCCCCCO 6fba6a16fd8f66b73fe1f33f598e9401 [0,1,0,0,0,0|2,0,1]=4 2083 B12R0.234 CC(=O)CCCOCCCCC#N daefeeacfa15a9704cc2011a8254650d [0,1,0,0,0,0|2,0,1]=4 2084 B12R0.234 CC(=O)CCCOCCCCC=O 3b30e4d615788124f8df5b67435d24c8 [0,1,0,0,0,0|2,0,0]=3 2085 B12R0.234 CC(=O)CCCOCCCCCF 948a14f4abeb64192d4a0cafc1fa2d97 [0,1,0,0,0,0|2,0,1]=4 2086 B12R0.234 CC(=O)CCCOCCOCC=O ba3b9c47656a58274a1190f2fc0d2ee7 [0,1,0,0,0,0|3,0,0]=4 2087 B12R0.234 CC(=O)CCNCCCCCC#N 77207a059b1ee6b346f6f2aca7228363 [0,1,0,0,0,0|2,0,1]=4 2088 B12R0.234 CC(=O)CCNCCCCCCCl ed7c6f69bc5ce4bdf786a074cfcd7c53 [0,1,0,0,0,0|2,0,1]=4 2089 B12R0.234 CC(=O)CCNCCCCCCO 7c130cbff3370a27029dc6e903187019 [0,1,0,0,0,0|2,0,1]=4 2090 B12R0.234 CC(=O)CCOCCCCCC#N 566e93ad6011ef88458fee842c77e2f4 [0,1,0,0,0,0|2,0,1]=4 2091 B12R0.234 CC(=O)CCOCCCCCC=O fb5708b3f4ac726e9386216c60be29ce [0,1,0,0,0,0|2,0,0]=3 2092 B12R0.234 CC(=O)CCOCCCCCCF 28063f4a6422021ba2cbada32ed5cde6 [0,1,0,0,0,0|2,0,1]=4 2093 B12R0.234 CC(=O)CCOCCCCCCS 0faaaa381a23e28fc4abf5b19b60eb96 [0,1,0,0,0,0|2,0,1]=4 2094 B12R0.234 CC(=O)CNCCCCCCC#N 27e14206287e877ad69014eb60746ed7 [0,1,0,0,0,0|2,0,1]=4 2095 B12R0.234 CC(=O)CNCCCCCCC=O 1cbd6dfb4e1339d118f969adcc959958 [0,1,0,0,0,0|2,0,0]=3 2096 B12R0.234 CC(=O)CNCCCCCCCO 13fac42ea1ea988c86c9b914788f7b4c [0,1,0,0,0,0|2,0,1]=4 2097 B12R0.234 CC(=O)COCCCCCCC#N c53037bd52f3ae30c0ab0750b6885e93 [0,1,0,0,0,0|2,0,1]=4 2098 B12R0.234 CC(=O)COCCCCCCC=O ce1f1b2af291e058492b874c0586b9d3 [0,1,0,0,0,0|2,0,0]=3 2099 B12R0.234 CC(=O)NCCCCCCCCO 222dd7e9addab226a527d7b85d33bea7 [0,1,0,0,0,0|2,0,1]=4 2100 B12R0.234 CC(=O)NCCCCCCNC=O 380ae4b87c628ff8b2d7a212229ca826 [0,1,0,0,0,0|3,0,0]=4 2101 B12R0.234 CC(=O)NCCCCCNCC=O 41e103befa071c129e5cce44c7ec27a7 [0,1,0,0,0,0|3,0,0]=4 2102 B12R0.234 CC(=O)NCCCCNC/C=C/Cl 6c89a53dd57775a9a04fcb69e51a2fa3 [0,1,0,0,0,0|3,0,0]=4 2103 B12R0.234 CC(=O)NCCCCNC/C=C\Cl c12730cd187db7f4a31970869163be44 [0,1,0,0,0,0|3,0,0]=4 2104 B12R0.234 CC(=O)NCCCCNC/C=C\O 53e0eb8870cb0e767472c7cb4ba40cc0 [0,1,0,0,0,0|3,0,0]=4 2105 B12R0.234 CC(=O)NCCCCNCCC=O 59a963fb04b0b6fd0b3598c4ca832f27 [0,1,0,0,0,0|3,0,0]=4 2106 B12R0.234 CC(=O)NCCCNCCCC=O 8a20e3855ca5ff67a88c4e53a6497ccf [0,1,0,0,0,0|3,0,0]=4 2107 B12R0.234 CC(=O)NCCCOCCCC=O 6691305c662993edf398b3cfbda9a480 [0,1,0,0,0,0|3,0,0]=4 2108 B12R0.234 CC(=O)NCCNCCCCC=O a46158f682dffaac1cc861f3106e5a85 [0,1,0,0,0,0|3,0,0]=4 2109 B12R0.234 CC(=O)NCCOCCCCC=O 97068498a5cc5907c583a631a55169e1 [0,1,0,0,0,0|3,0,0]=4 2110 B12R0.234 CC(=O)NCOCCCCCC=O 59d7a26291aed70317966e25e9ee0e9d [0,1,0,0,0,0|3,0,0]=4 2111 B12R0.234 CC(=O)OCCCCOC/C=C/Cl 8a47dfc33a77df853b7aff3ec8f33fdf [0,1,0,0,0,0|3,0,0]=4 2112 B12R0.234 CC(=O)OCCCCOC/C=C\Cl 1aea2474263244e6b85b129d21da011a [0,1,0,0,0,0|3,0,0]=4 2113 B12R0.234 CC(=O)OCCCCOCC=CCl 644a274031eead1f3fe1461b5177db0b [0,1,0,0,0,0|3,0,0]=4 2114 B12R0.234 CC(=O)OCCCCOCCC=O 5d4b7936275bb2d62bed0048745fc3f5 [0,1,0,0,0,0|3,0,0]=4 2115 B12R0.234 CC(=O)OCCCOCCCC=O 09a5dea260bbdb16d3118ac5dbf3da8e [0,1,0,0,0,0|3,0,0]=4 2116 B12R0.234 CC(=O)OCCOCCCCC=O 27e1154bc3e16443192e4c0d0ef275a5 [0,1,0,0,0,0|3,0,0]=4 2117 B12R0.234 CC(=O)SCCCCOC/C=C/Cl 82064765189f7bece537e841dbaa1747 [0,1,0,0,0,0|3,0,0]=4 2118 B12R0.234 CC(=O)SCCCCOCC=CCl 07cace413b1956a00e630fc7607fc6ce [0,1,0,0,0,0|3,0,0]=4 2119 B12R0.234 CC(=O)SCCCCOCCC=O a1e09a6d806043bd94351a97c1a34b82 [0,1,0,0,0,0|3,0,0]=4 2120 B12R0.234 CC(=O)SCCCOCCCC=O c0d60920bca4f896ae1860e3779484f3 [0,1,0,0,0,0|3,0,0]=4 2121 B12R0.234 CC(=O)SCCOCCCCC=O 664b8f9e1b085a334599fb0702bb5173 [0,1,0,0,0,0|3,0,0]=4 2122 B12R0.234 CC(O)CCNCCCCCC=O f6ffa5a24e74baeb962851759372c299 [0,1,0,0,0,0|2,0,1]=4 2123 B12R0.234 CC(O)CNCCCCCCC=O 7c2d56d8116339d2adc17331e4a6d185 [0,1,0,0,0,0|2,0,1]=4 2124 B12R0.234 CC/C=C/CCOCCCC(=O)O d91b5cffbe356fdcb01b34cffae4c0bc [0,1,0,0,0,0|1,0,2]=4 2125 B12R0.234 CC/C=C/CNCCCCC(=O)O a303742afc7fd0c87b07f590e8f75d8a [0,1,0,0,0,0|1,0,2]=4 2126 B12R0.234 CC/C=C/COCCCCC(=O)O c97c2122729e7f0dca9ce004885fb5d8 [0,1,0,0,0,0|1,0,2]=4 2127 B12R0.234 CC/C=C\CCCCOCC(=O)O b71a31d787eeb570d764dc99175b65bb [0,1,0,0,0,0|1,0,2]=4 2128 B12R0.234 CC/C=C\CCCOCCC(=O)O 22d0ce978d0e1a8dd01f94141fe6523d [0,1,0,0,0,0|1,0,2]=4 2129 B12R0.234 CC/C=C\CCNCCCC(=O)O 47cc71e13b69add0a2b9b5d6a6813971 [0,1,0,0,0,0|1,0,2]=4 2130 B12R0.234 CC/C=C\CCOCCCC(=O)O 8eec8965786c5e5d1e4fae8aa95e8bbd [0,1,0,0,0,0|1,0,2]=4 2131 B12R0.234 CC/C=C\COCCCCC(=O)O f83bcaaa2d821beac7765c6c0abbf64c [0,1,0,0,0,0|1,0,2]=4 2132 B12R0.234 CC=C=CCCOCCCC(=O)O 260de9a7d040108f53b2a6304ed5dad9 [0,1,0,0,0,0|0,0,3]=4 2133 B12R0.234 CC=CC#CCCOCCC(=O)O 7586f98c861cc76bc6677dc4e7cd6e6d [0,1,0,0,0,0|1,0,2]=4 2134 B12R0.234 CC=CC=CCOCCCC(=O)O 2f502455a95d8b395d8d8eb7dc183c4a [0,1,0,0,0,0|1,0,2]=4 2135 B12R0.234 CC=CCCCOC/C=C/C(=O)O 0d71a2bed7cdc94cee5bc244ce639daf [0,1,0,0,0,0|1,0,2]=4 2136 B12R0.234 CC=CCCCOCC=CC(=O)O 6f368d300b07a5290113f4d06fbb9b93 [0,1,0,0,0,0|1,0,2]=4 2137 B12R0.234 CC=CCCCOCCCC(=O)C 8d56fa52e8dda8d3852bd1f59277c55d [0,1,0,0,0,0|2,0,0]=3 2138 B12R0.234 CC=CCCCOCCCC(=O)N 7f30d4528e56091fc1571261aa3ee96d [0,1,0,0,0,0|2,0,0]=3 2139 B12R0.234 CC=CCCCOCCCC(=O)O 393e6e96dd1573db4f1d9f423c1b79e6 [0,1,0,0,0,0|1,0,0]=2 2140 B12R0.234 CC=CCCCOCCC[N+](=O)[O-] 9a684dbca4637c768769e01764935a92 [0,1,0,0,0,0|2,0,1]=4 2141 B12R0.234 CC=CCCCOCCNC(=O)C 57c8b24bb928f5aff3446424ee020112 [0,1,0,0,0,0|3,0,0]=4 2142 B12R0.234 CC=CCCCOCCNC(=O)N a1d19377361fc86d20d6de84f728206f [0,1,0,0,0,0|3,0,0]=4 2143 B12R0.234 CC=CCCCOCCOC(=O)C 94d90ebbb5b2e50433a1c4039da891d4 [0,1,0,0,0,0|3,0,0]=4 2144 B12R0.234 CC=CCCCOCCSC(=O)C 894d5277e49bc2e0006e113d9d259abe [0,1,0,0,0,0|3,0,0]=4 2145 B12R0.234 CC=CCNCCCCCC(=O)C ad518f4e1bbcb85bfa47897e7dfadeb5 [0,1,0,0,0,0|2,0,0]=3 2146 B12R0.234 CC=CCNCCCCCC(=O)N 91a0aa13f58bc4b2603616a18bd9b8c4 [0,1,0,0,0,0|2,0,0]=3 2147 B12R0.234 CC=CCNCCCCCC(=O)O 630772b2db40fc1fbf48b241e72d98a2 [0,1,0,0,0,0|1,0,0]=2 2148 B12R0.234 CC=CCNCCCCOC(=O)C ef2b1926f9aca4e022974843d1559c2e [0,1,0,0,0,0|3,0,0]=4 2149 B12R0.234 CC=CCNCCCCSC(=O)C 656c7871d1faad675a2da2101416e0f2 [0,1,0,0,0,0|3,0,0]=4 2150 B12R0.234 CC=CCNCCCOCC(=O)O 5f143c764e665a9ca11537ade6a61951 [0,1,0,0,0,0|2,0,0]=3 2151 B12R0.234 CC=CCNCCOCCC(=O)O a56e4513da335ea26beb3aa803efc1b6 [0,1,0,0,0,0|2,0,0]=3 2152 B12R0.234 CC=CCOCCCCCC(=O)C 789286f1cae0d859a8a1cda941319d9e [0,1,0,0,0,0|2,0,0]=3 2153 B12R0.234 CC=CCOCCCCCC(=O)N cc54e4af1b4ea5dc3dd044fd965b4fe6 [0,1,0,0,0,0|2,0,0]=3 2154 B12R0.234 CC=CCOCCCCCC(=O)O 7d05745fffa675569b95faa65b3d2081 [0,1,0,0,0,0|1,0,0]=2 2155 B12R0.234 CC=CCOCCCCOC(=O)C 9e43c2a26a745fe4365c8e9793b89f63 [0,1,0,0,0,0|3,0,0]=4 2156 B12R0.234 CC=CCOCCCCSC(=O)C 404a9e302fb24eae6a4f816c7af7f826 [0,1,0,0,0,0|3,0,0]=4 2157 B12R0.234 CC=CCOCCCOCC(=O)O e156c24dd4d42c92d583b35b41a90377 [0,1,0,0,0,0|2,0,0]=3 2158 B12R0.234 CC=CCOCCOCCC(=O)O 3d662ad67881214c8807ed5f348d7133 [0,1,0,0,0,0|2,0,0]=3 2159 B12R0.234 CCCCCCCCCNC(=O)C 5fcb67754cb579f2f81659cca014b221 [0,1,0,0,0,0|1,0,2]=4 2160 B12R0.234 CCCCCCCCNCC(=O)C 843a2cfb38179d3b3caf9d0d2340122f [0,1,0,0,0,0|1,0,2]=4 2161 B12R0.234 CCCCCCCCNCC(=O)N 93d52126533923c2f1b36be9138ca635 [0,1,0,0,0,0|1,0,2]=4 2162 B12R0.234 CCCCCCCCNCC(=O)O 83781ea853aa67014c4d40190a4bf6ba [0,1,0,0,0,0|0,0,2]=3 2163 B12R0.234 CCCCCCCCOCC(=O)C 975d1e04c005a3736c3d966e413ed9a4 [0,1,0,0,0,0|1,0,2]=4 2164 B12R0.234 CCCCCCCCOCC(=O)N 6dd174f9955f59e7715671df2fb7d707 [0,1,0,0,0,0|1,0,2]=4 2165 B12R0.234 CCCCCCCCOCC(=O)O b83cc991500dd7f4cc1f14a947f049a9 [0,1,0,0,0,0|0,0,2]=3 2166 B12R0.234 CCCCCCCCOCS(=O)O ddd48fec0524b009039de055a38d78b1 [0,1,0,0,0,0|1,0,2]=4 2167 B12R0.234 CCCCCCCNCCC(=O)C ab9de0fc6e0b0e78dd96f7b6d4b54397 [0,1,0,0,0,0|1,0,2]=4 2168 B12R0.234 CCCCCCCNCCC(=O)N cdfffaf067c2fbfe2769a61b7603c569 [0,1,0,0,0,0|1,0,2]=4 2169 B12R0.234 CCCCCCCNCCC(=O)O 977de1b8eb917820b2e1cca0d817c9d8 [0,1,0,0,0,0|0,0,2]=3 2170 B12R0.234 CCCCCCCNCCS(=O)O 565379a7d0219086578b9e959b0c956d [0,1,0,0,0,0|1,0,2]=4 2171 B12R0.234 CCCCCCCOCCC(=O)C e4aa55eb37e4a9deb95ffd7f03207921 [0,1,0,0,0,0|1,0,2]=4 2172 B12R0.234 CCCCCCCOCCC(=O)N f1f3ae36c8ebb21fdc4e830a47507388 [0,1,0,0,0,0|1,0,2]=4 2173 B12R0.234 CCCCCCCOCCC(=O)O 99a55f75abedf1e7f5e210f440faf80f [0,1,0,0,0,0|0,0,2]=3 2174 B12R0.234 CCCCCCNCCCC(=O)C 4237140c45387a29125de17b57d911d0 [0,1,0,0,0,0|1,0,2]=4 2175 B12R0.234 CCCCCCNCCCC(=O)N e1b6b2c251765ac9edea9af982611062 [0,1,0,0,0,0|1,0,2]=4 2176 B12R0.234 CCCCCCNCCCC(=O)O 7ea79cc51006783abcbb20123d130057 [0,1,0,0,0,0|0,0,2]=3 2177 B12R0.234 CCCCCCOCCCC(=O)C 21a282bc9702686e7106e1ffe8f5e3e8 [0,1,0,0,0,0|1,0,2]=4 2178 B12R0.234 CCCCCCOCCCC(=O)N ed8f97a3043f9d940f4f0551572131c1 [0,1,0,0,0,0|1,0,2]=4 2179 B12R0.234 CCCCCNCCCCC(=O)C dc4186c3df002a1751f5b68bbd0e09e8 [0,1,0,0,0,0|1,0,2]=4 2180 B12R0.234 CCCCCNCCCCC(=O)N 792c73d83695f0c6b1c51accfc11ffb7 [0,1,0,0,0,0|1,0,2]=4 2181 B12R0.234 CCCCCNCCCCC(=O)O 2025641bcbba83afa908fa317adfc621 [0,1,0,0,0,0|0,0,2]=3 2182 B12R0.234 CCCCCNCCOCC(=O)O bc78ad70e8471400d9ede087f22b717f [0,1,0,0,0,0|1,0,2]=4 2183 B12R0.234 CCCCCOCCCCC(=O)C e9f945235295e2068ec066faab0e9b72 [0,1,0,0,0,0|1,0,2]=4 2184 B12R0.234 CCCCCOCCCCC(=O)N 530a460316a7be743482dd552f5a7478 [0,1,0,0,0,0|1,0,2]=4 2185 B12R0.234 CCCCCOCCCCC(=O)O c7ef8c838f309db77667febcb5863413 [0,1,0,0,0,0|0,0,2]=3 2186 B12R0.234 CCCCCOCCOCC(=O)O 90f5a7a87dfe47c6baf748d44799d2a4 [0,1,0,0,0,0|1,0,2]=4 2187 B12R0.234 CCCCNCCCCCC(=O)C 701c3ae3670d1ba04699f1fa3077ef26 [0,1,0,0,0,0|1,0,2]=4 2188 B12R0.234 CCCCNCCCCCC(=O)N 6d0265cb32df3084824ffb8bebfc96b6 [0,1,0,0,0,0|1,0,2]=4 2189 B12R0.234 CCCCNCCCCCC(=O)O d4c182fcc67a7ce7c55b799b06a1174d [0,1,0,0,0,0|0,0,2]=3 2190 B12R0.234 CCCCNCCCOCC(=O)O 97bf5a6ef7431714bfb45672b98a41b3 [0,1,0,0,0,0|1,0,2]=4 2191 B12R0.234 CCCCNCCOCCC(=O)O f8b5ea6e3dd209943534dbc3eb6c2cfb [0,1,0,0,0,0|1,0,2]=4 2192 B12R0.234 CCCCOCCCCCC(=O)C 0f08ac5a655c29744fd7707a663f4121 [0,1,0,0,0,0|1,0,2]=4 2193 B12R0.234 CCCCOCCCCCC(=O)N e904d535cab28bd8a699671139a91112 [0,1,0,0,0,0|1,0,2]=4 2194 B12R0.234 CCCCOCCCCCC(=O)O 7292906efe2519124d1759b2ec8cb916 [0,1,0,0,0,0|0,0,2]=3 2195 B12R0.234 CCCCOCCCNCC(=O)O 27cdc24b902ba5a62df998cb9a9ce636 [0,1,0,0,0,0|1,0,2]=4 2196 B12R0.234 CCCCOCCCOCC(=O)O 74959e98b33214a3a9e064d0a7b7c49a [0,1,0,0,0,0|1,0,2]=4 2197 B12R0.234 CCCCOCCNCCC(=O)O e93c16e846a86354b6055df0d6025a13 [0,1,0,0,0,0|1,0,2]=4 2198 B12R0.234 CCCCOCCOCCC(=O)O 06651b3d6c7d50fdd63f3da56610e8bd [0,1,0,0,0,0|1,0,2]=4 2199 B12R0.234 CCCCOCNCCCC(=O)O d966949497b948766089b02bcfbfc57c [0,1,0,0,0,0|1,0,2]=4 2200 B12R0.234 CCCCSCCOCCC(=O)O 53cf1c591dd0a8c6a5ee5391058651db [0,1,0,0,0,0|1,0,2]=4 2201 B12R0.234 CCCNCCCCCCC(=O)O 1209be85d19fc9719e4624682259ccba [0,1,0,0,0,0|0,0,2]=3 2202 B12R0.234 CCCOCCCCCCC(=O)N ef902ab8dc24827b5e068c394e3cd23d [0,1,0,0,0,0|1,0,2]=4 2203 B12R0.234 CCCOCCCCCCC(=O)O 184e565df245740558281f57f62af0c1 [0,1,0,0,0,0|0,0,2]=3 2204 B12R0.234 CCCOCCCNCCC(=O)O bc30ee6084eb1b212083b8e6b0f24988 [0,1,0,0,0,0|1,0,2]=4 2205 B12R0.234 CCCOCCCOCCC(=O)O 87e582f681f002dac15a7b47db923ba0 [0,1,0,0,0,0|1,0,2]=4 2206 B12R0.234 CCCOCCNCCCC(=O)O 58748e67afd65f8ee33cfaf962060503 [0,1,0,0,0,0|1,0,2]=4 2207 B12R0.234 CCCOCCOCCCC(=O)O b32c954526a75429343840be31066d1b [0,1,0,0,0,0|1,0,2]=4 2208 B12R0.234 CCCSCCCCNCC(=O)O 0da3477e4390f108ab97359526f8a78b [0,1,0,0,0,0|1,0,2]=4 2209 B12R0.234 CCCSCCOCCCC(=O)O 0b7965f5e8a8094662e4e26f784e2bf0 [0,1,0,0,0,0|1,0,2]=4 2210 B12R0.234 CCNCCCCCCCC(=O)O 4129974f68a0ceef8ab0e96914078837 [0,1,0,0,0,0|0,0,2]=3 2211 B12R0.234 CCNCCOCCCCC(=O)O a68d1a4ab9fdb85eaaee1e8610c4f41b [0,1,0,0,0,0|1,0,2]=4 2212 B12R0.234 CCOCCCCCCCC(=O)C 84451fa23ed3e3143a5a1d446125857e [0,1,0,0,0,0|1,0,2]=4 2213 B12R0.234 CCOCCCCCCCC(=O)O 46aa100c5035c7dc38e92b0892435701 [0,1,0,0,0,0|0,0,2]=3 2214 B12R0.234 CCOCCCNCCCC(=O)O aabf0aae26aed3b3b8b48b20d42125b8 [0,1,0,0,0,0|1,0,2]=4 2215 B12R0.234 CCOCCNCCCCC(=O)O e3f1921429e30bff944aeee3a1049192 [0,1,0,0,0,0|1,0,2]=4 2216 B12R0.234 CCOCCOCCCCC(=O)O 51a3a3dee25f63833a78d48ec8935c36 [0,1,0,0,0,0|1,0,2]=4 2217 B12R0.234 CCSCCCCNCCC(=O)O 9317d4e277694d924792c143e2cee2b2 [0,1,0,0,0,0|1,0,2]=4 2218 B12R0.234 CCSCCOCCCCC(=O)O 3cf801f8efc32fbba70f9dba41718e24 [0,1,0,0,0,0|1,0,2]=4 2219 B12R0.234 COCCCCCCNCC(=O)C 6ded7bbf54f621d40a66c00548f4c7a2 [0,1,0,0,0,0|2,0,1]=4 2220 B12R0.234 COCCCCCCNCC(=O)N 5dd2dca06c124c746be827c1901a1e6c [0,1,0,0,0,0|2,0,1]=4 2221 B12R0.234 COCCCCCCNCC(=O)O f095c5fe8da3849c62aafe0120fdfd58 [0,1,0,0,0,0|1,0,1]=3 2222 B12R0.234 COCCCCCCOCC(=O)C 11fdd94d002c4b05b7c865252b9a38b5 [0,1,0,0,0,0|2,0,1]=4 2223 B12R0.234 COCCCCCCOCC(=O)N bf24788184fbe8bc4d5a263546081bb2 [0,1,0,0,0,0|2,0,1]=4 2224 B12R0.234 COCCCCCCOCC(=O)O 2fe97127b1cbad083f930a39d2eda2c6 [0,1,0,0,0,0|1,0,1]=3 2225 B12R0.234 COCCCCCCOCS(=O)O aa255402e2de1ea43fee34ac98d4c95f [0,1,0,0,0,0|2,0,1]=4 2226 B12R0.234 COCCCCCNCCC(=O)C 7063402c1bde25b1794b36400454b2bf [0,1,0,0,0,0|2,0,1]=4 2227 B12R0.234 COCCCCCNCCC(=O)N 227f7b383b1e0f0f8d68266221ed7a55 [0,1,0,0,0,0|2,0,1]=4 2228 B12R0.234 COCCCCCNCCC(=O)O 985fd6bd11dac98725eae11b9960863d [0,1,0,0,0,0|1,0,1]=3 2229 B12R0.234 COCCCCCNCCS(=O)O b6c050c48c0c99411e2f1135707a4fa7 [0,1,0,0,0,0|2,0,1]=4 2230 B12R0.234 COCCCCCOCCC(=O)C 322fa71d59b27a2851173c7aeec6f538 [0,1,0,0,0,0|2,0,1]=4 2231 B12R0.234 COCCCCCOCCC(=O)N d85468eaeef3524b3e559d794a4e98ec [0,1,0,0,0,0|2,0,1]=4 2232 B12R0.234 COCCCCCOCCC(=O)O 56a45960ca3c0a931001cc460ab3f33d [0,1,0,0,0,0|1,0,1]=3 2233 B12R0.234 COCCCCNCCCC(=O)C 05aea91648bfee314e1171d6357f8acb [0,1,0,0,0,0|2,0,1]=4 2234 B12R0.234 COCCCCNCCCC(=O)N 67308d4b0bf6d8e522ebeac966a40fbc [0,1,0,0,0,0|2,0,1]=4 2235 B12R0.234 COCCCCNCCCC(=O)O 378ba6af10e84cb9188153cdab752d3b [0,1,0,0,0,0|1,0,1]=3 2236 B12R0.234 COCCCCOCCCC(=O)C 3cc17af82bef3c03d92cabe2c75cddbc [0,1,0,0,0,0|2,0,1]=4 2237 B12R0.234 COCCCCOCCCC(=O)N 51dc500112345785b5738d450c245972 [0,1,0,0,0,0|2,0,1]=4 2238 B12R0.234 COCCCCOCCCC(=O)O c5710b39c8f427a5001f16543170e263 [0,1,0,0,0,0|1,0,1]=3 2239 B12R0.234 COCCCNCCCCC(=O)C 9ece99806b2ec0f2b81b07a4d000cbdf [0,1,0,0,0,0|2,0,1]=4 2240 B12R0.234 COCCCNCCCCC(=O)N 05f8e011d6332bb7b65ae8aa78373800 [0,1,0,0,0,0|2,0,1]=4 2241 B12R0.234 COCCCNCCCCC(=O)O 1f3d244bfac21b8f13497cb7e6ed0fc0 [0,1,0,0,0,0|1,0,1]=3 2242 B12R0.234 COCCCNCCOCC(=O)O 2dcbbeafc83d19d117af2f07fed61242 [0,1,0,0,0,0|2,0,1]=4 2243 B12R0.234 COCCCNCCSCC(=O)O 69d518b536ccb78a01ccb13d77f08abf [0,1,0,0,0,0|2,0,1]=4 2244 B12R0.234 COCCCOCCCCC(=O)C 7ee5a36ff296efe4cbbd7037612369d4 [0,1,0,0,0,0|2,0,1]=4 2245 B12R0.234 COCCCOCCCCC(=O)N 16a4f07b4299e0399bc18b21f422a245 [0,1,0,0,0,0|2,0,1]=4 2246 B12R0.234 COCCCOCCCCC(=O)O 95cee556a34fac1cb2656b23abcf66a3 [0,1,0,0,0,0|1,0,1]=3 2247 B12R0.234 COCCCOCCOCC(=O)O 5e296bd5bd2358019d7de16f7568c3e4 [0,1,0,0,0,0|2,0,1]=4 2248 B12R0.234 COCCNCCCCCC(=O)C 394d9d9fffd5424ec4a3cf3c23f2e1ee [0,1,0,0,0,0|2,0,1]=4 2249 B12R0.234 COCCNCCCCCC(=O)N 6c883b41e2f23258c049970cf344bb1a [0,1,0,0,0,0|2,0,1]=4 2250 B12R0.234 COCCNCCCCCC(=O)O e2d32117eebdcad6203c3cc115db91b7 [0,1,0,0,0,0|1,0,1]=3 2251 B12R0.234 COCCNCCCOCC(=O)O ca67d8096859296143dfcf7a9de7b7dd [0,1,0,0,0,0|2,0,1]=4 2252 B12R0.234 COCCNCCOCCC(=O)O c8c0878d2dbb0982f5b32b07e16236ed [0,1,0,0,0,0|2,0,1]=4 2253 B12R0.234 COCCOCCCCCC(=O)C 32749417def69712a6da5222f141f8fa [0,1,0,0,0,0|2,0,1]=4 2254 B12R0.234 COCCOCCCCCC(=O)N 2df08f37b7b7dd97ccfffc3044e8f9ac [0,1,0,0,0,0|2,0,1]=4 2255 B12R0.234 COCCOCCCCCC(=O)O 3f1f0ee6b55aa392ed0cad8e2ca529ea [0,1,0,0,0,0|1,0,1]=3 2256 B12R0.234 COCCOCCCNCC(=O)O d7da09ce7c19121e51bbc02e5ba9fc6f [0,1,0,0,0,0|2,0,1]=4 2257 B12R0.234 COCCOCCCOCC(=O)O 58d84f15a26b3a6141537e1ac6b25e6f [0,1,0,0,0,0|2,0,1]=4 2258 B12R0.234 COCCOCCNCCC(=O)O 7454776c74400f990ee2fe5e74a0d4b1 [0,1,0,0,0,0|2,0,1]=4 2259 B12R0.234 COCCOCCOCCC(=O)O 30c02b608e23e5be98a475cf16c9819f [0,1,0,0,0,0|2,0,1]=4 2260 B12R0.234 COCCOCNCCCC(=O)O 91d059409ef98b3487cec4d87fc2ada7 [0,1,0,0,0,0|2,0,1]=4 2261 B12R0.234 COCNCCCCCCC(=O)O 940c74a48790455e40d1d357dde5f13b [0,1,0,0,0,0|1,0,1]=3 2262 B12R0.234 COCOCCCCCCC(=O)N 65ea2e4a2df8550165d0f4108d6cc964 [0,1,0,0,0,0|2,0,1]=4 2263 B12R0.234 COCOCCCCCCC(=O)O 1bce7e9006649e9f53b5afd3384b03d6 [0,1,0,0,0,0|1,0,1]=3 2264 B12R0.234 COCOCCNCCCC(=O)O acf92f7579bbbf0c601a7ac1a36f64f8 [0,1,0,0,0,0|2,0,1]=4 2265 B12R0.234 CS(=O)CCCNCCCCC=O 2fb8c7a869f3f558df5f4f0309fdf59e [0,1,0,0,0,0|3,0,0]=4 2266 B12R0.234 CS(=O)CCNCCCCCC=O 6540b5127fcf2922d4791adfced2134e [0,1,0,0,0,0|3,0,0]=4 2267 B12R0.234 CS(=O)CCOCCCCCC=O a469dd663412fe4a08611ca06dad5e48 [0,1,0,0,0,0|3,0,0]=4 2268 B12R0.234 CSCCCCNCCCC(=O)C 4421f7344d273170f7c936adbb182c64 [0,1,0,0,0,0|2,0,1]=4 2269 B12R0.234 CSCCCCNCCCC(=O)N 936f1a38b6a6ab21eb0ddd08e6b72935 [0,1,0,0,0,0|2,0,1]=4 2270 B12R0.234 CSCCCCOCCCC(=O)C 99faf0434cdcdcf43f718d5e1bbd20fa [0,1,0,0,0,0|2,0,1]=4 2271 B12R0.234 CSCCCCOCCCC(=O)N 969a1f493ce4cc5e9a79a81aa5271b7f [0,1,0,0,0,0|2,0,1]=4 2272 B12R0.234 CSCCCNCCCCC(=O)C 76dfda0f9870f68d15e589e55852ead0 [0,1,0,0,0,0|2,0,1]=4 2273 B12R0.234 CSCCCNCCCCC(=O)N f5e205a38e4a2b9bc26c28243b91d4ff [0,1,0,0,0,0|2,0,1]=4 2274 B12R0.234 CSCCCNCCCCC(=O)O dbe5f75bfe79e3c785f597e54058c9d4 [0,1,0,0,0,0|1,0,1]=3 2275 B12R0.234 CSCCCNCCOCC(=O)O d9f37c1fd09ca38d07b1539454a5ae57 [0,1,0,0,0,0|2,0,1]=4 2276 B12R0.234 CSCCCNCCSCC(=O)O ed450e2cc030fc834716b1af3df44eae [0,1,0,0,0,0|2,0,1]=4 2277 B12R0.234 CSCCCOCCCCC(=O)C e7ae99ca5fe49c94eafc004fc9c72084 [0,1,0,0,0,0|2,0,1]=4 2278 B12R0.234 CSCCCOCCCCC(=O)N c8070b75b55a9618125c0d66d6cce3ee [0,1,0,0,0,0|2,0,1]=4 2279 B12R0.234 CSCCCOCCCCC(=O)O dbf4ce6c0157a9a9073249229d221019 [0,1,0,0,0,0|1,0,1]=3 2280 B12R0.234 CSCCCOCCOCC(=O)O 06407558e19bc6d570d75607ff014cd7 [0,1,0,0,0,0|2,0,1]=4 2281 B12R0.234 CSCCNCCCCCC(=O)C d8ede31baf91277de234319ef8354cdc [0,1,0,0,0,0|2,0,1]=4 2282 B12R0.234 CSCCNCCCCCC(=O)N 99ff2dcdbc11f5538f249b6036b991a5 [0,1,0,0,0,0|2,0,1]=4 2283 B12R0.234 CSCCNCCCCCC(=O)O 69b6bd0eee9dd730a8cd4eb1fd1d5d03 [0,1,0,0,0,0|1,0,1]=3 2284 B12R0.234 CSCCNCCCOCC(=O)O bfe5884de37939a9e464dc86d3f5cf6a [0,1,0,0,0,0|2,0,1]=4 2285 B12R0.234 CSCCNCCOCCC(=O)O c559826a398dcd33e4fadd88920d8d3e [0,1,0,0,0,0|2,0,1]=4 2286 B12R0.234 CSCCOCCCCCC(=O)C a22b7fc34ffa94aee0a15a32700925f8 [0,1,0,0,0,0|2,0,1]=4 2287 B12R0.234 CSCCOCCCCCC(=O)N 0a71d8e154c8197cbd7ed5aea5026aae [0,1,0,0,0,0|2,0,1]=4 2288 B12R0.234 CSCCOCCCCCC(=O)O cb0796621d9ab3a0b6d44c704a69dd0c [0,1,0,0,0,0|1,0,1]=3 2289 B12R0.234 CSCCOCCCNCC(=O)O f192fbf48fe056140c8a0f0314236d5e [0,1,0,0,0,0|2,0,1]=4 2290 B12R0.234 CSCCOCCCOCC(=O)O 2d923adf542a4c6a9338abc360c0e8bf [0,1,0,0,0,0|2,0,1]=4 2291 B12R0.234 CSCCOCCOCCC(=O)O f30045352d6a675d8af62dd17159ee27 [0,1,0,0,0,0|2,0,1]=4 2292 B12R0.234 CSCNCCCCCCC(=O)O a1bc486db70065927d5b7f5b2ec9ff0e [0,1,0,0,0,0|1,0,1]=3 2293 B12R0.234 CSCOCCCCCCC(=O)N cdf30ffc49191108d8d9b7cbd00350a5 [0,1,0,0,0,0|2,0,1]=4 2294 B12R0.234 CSCOCCCCCCC(=O)O bb0fda614d47546d414cab13ce429503 [0,1,0,0,0,0|1,0,1]=3 2295 B12R0.234 C[C@@H](O)CCNCCCCCC=O 80b5bcdae8ad50d9a3309d3bd7f27e41 [0,1,0,0,0,0|2,0,1]=4 2296 B12R0.234 C[C@@H](O)CNCCCCCCC=O 497c1867da55792079c8798350b7c357 [0,1,0,0,0,0|2,0,1]=4 2297 B12R0.234 C[C@H](O)CCNCCCCCC=O 4ce78f98a86ca4ab8ab2c490eb048d06 [0,1,0,0,0,0|2,0,1]=4 2298 B12R0.234 C[C@H](O)CNCCCCCCC=O aa820cd7ec5c9c4dc85e98584a2ea50b [0,1,0,0,0,0|2,0,1]=4 2299 B12R0.234 N#CC=CCNCCCCC(=O)O 73344737fb2eb725217b5de3a6a84593 [0,1,0,0,0,0|1,0,2]=4 2300 B12R0.234 N#CC=CCOCCCCC(=O)O aa8a495c72349852c08a9a46d1084275 [0,1,0,0,0,0|1,0,2]=4 2301 B12R0.234 N#CCCCCCCNCC(=O)N 8566bab9307899f2a3f547463c06613d [0,1,0,0,0,0|2,0,1]=4 2302 B12R0.234 N#CCCCCCCNCC(=O)O 600ebe9c4569a8da39b8547be7fb4ffd [0,1,0,0,0,0|1,0,1]=3 2303 B12R0.234 N#CCCCCCCOCC(=O)N 706c7ddec5a41a8a2c07f9f6b0533ebb [0,1,0,0,0,0|2,0,1]=4 2304 B12R0.234 N#CCCCCCCOCC(=O)O 0dca9ba5c8af336b66438d84ec47a09b [0,1,0,0,0,0|1,0,1]=3 2305 B12R0.234 N#CCCCCCCOCS(=O)O a9087f4be5c376b53a31cf8e443d0807 [0,1,0,0,0,0|2,0,1]=4 2306 B12R0.234 N#CCCCCCNCCC(=O)N 6f84ff494a5fbb30550028fabf67230c [0,1,0,0,0,0|2,0,1]=4 2307 B12R0.234 N#CCCCCCNCCC(=O)O 30e699ab7fb0b93b1e900ebd67b63147 [0,1,0,0,0,0|1,0,1]=3 2308 B12R0.234 N#CCCCCCNCCS(=O)O 4449682148947e53dbb7c0bab4040382 [0,1,0,0,0,0|2,0,1]=4 2309 B12R0.234 N#CCCCCCOCCC(=O)N 1e1f42706bdc3aa5a4a36fd4700c9c6a [0,1,0,0,0,0|2,0,1]=4 2310 B12R0.234 N#CCCCCCOCCC(=O)O 65f26334648f0bb9ef91f544e6da4d55 [0,1,0,0,0,0|1,0,1]=3 2311 B12R0.234 N#CCCCCNCCCC(=O)N 6a8efd16b7f39c7cf42a8a91f0a88ad0 [0,1,0,0,0,0|2,0,1]=4 2312 B12R0.234 N#CCCCCNCCCC(=O)O 06d351a784fa1608da12afe5273d7536 [0,1,0,0,0,0|1,0,1]=3 2313 B12R0.234 N#CCCCCOCCCC(=O)N 783eecf87bdaa70db01cf0b89faf5b63 [0,1,0,0,0,0|2,0,1]=4 2314 B12R0.234 N#CCCCNCCCCC(=O)N a7df86c2a3d033083a7ff593a378e35f [0,1,0,0,0,0|2,0,1]=4 2315 B12R0.234 N#CCCCNCCCCC(=O)O c6230e1c0e5d214a9e97fadf7e88f7b1 [0,1,0,0,0,0|1,0,1]=3 2316 B12R0.234 N#CCCCNCCOCC(=O)O 93e8ff0e1d4bd76b9f329fd30ad11638 [0,1,0,0,0,0|2,0,1]=4 2317 B12R0.234 N#CCCCNCCSCC(=O)O a427688a1adc7f134339fad6a6418748 [0,1,0,0,0,0|2,0,1]=4 2318 B12R0.234 N#CCCCOCCCCC(=O)N c47b0189f0e105ec0785c2c2e18070cc [0,1,0,0,0,0|2,0,1]=4 2319 B12R0.234 N#CCCCOCCCCC(=O)O 3613d8a8b9b518870854c0ae465c6f13 [0,1,0,0,0,0|1,0,1]=3 2320 B12R0.234 N#CCCCOCCOCC(=O)O 7cd69842b6276650401b5cf0acc1f416 [0,1,0,0,0,0|2,0,1]=4 2321 B12R0.234 N#CCCNCCCCCC(=O)N 2a0fb22ac78aa0055ec42c80b771acb2 [0,1,0,0,0,0|2,0,1]=4 2322 B12R0.234 N#CCCNCCCCCC(=O)O 7137d3f1a0ebe2855e2d8855c88ce1b3 [0,1,0,0,0,0|1,0,1]=3 2323 B12R0.234 N#CCCNCCCOCC(=O)O 4ae2e9e06a4e65b9246a94c84b1265f7 [0,1,0,0,0,0|2,0,1]=4 2324 B12R0.234 N#CCCNCCOCCC(=O)O 3509e19e22e5759f331eebc11300f013 [0,1,0,0,0,0|2,0,1]=4 2325 B12R0.234 N#CCCOCCCCCC(=O)N 627a4aa5db272fb9a6ff9a7d802ebb9e [0,1,0,0,0,0|2,0,1]=4 2326 B12R0.234 N#CCCOCCCCCC(=O)O 37b448a1e7656ca4d5d52849919a8aab [0,1,0,0,0,0|1,0,1]=3 2327 B12R0.234 N#CCCOCCCOCC(=O)O 302c12f26969ed7a133082a3ae288cd3 [0,1,0,0,0,0|2,0,1]=4 2328 B12R0.234 N#CCCOCCOCCC(=O)O f085fa5ff3fefcbd15e51badd0026bb4 [0,1,0,0,0,0|2,0,1]=4 2329 B12R0.234 N#CCNCCCCCCC(=O)O 51ec0855fa159b4a28b1e040dba7c851 [0,1,0,0,0,0|1,0,1]=3 2330 B12R0.234 N#CCOCCCCCCC(=O)N 9a48814d00fa1345870b750b12e18788 [0,1,0,0,0,0|2,0,1]=4 2331 B12R0.234 N#CCOCCCCCCC(=O)O 3c8d3913169bfbed3bd67fb7e3b78233 [0,1,0,0,0,0|1,0,1]=3 2332 B12R0.234 N#CCOCCCOCCC(=O)O 23f1b85a835d7d4a1d05e5558b34bd18 [0,1,0,0,0,0|2,0,1]=4 2333 B12R0.234 N#CCOCCNCCCC(=O)O c9977e9d163a144d88f7bd79b04db6b3 [0,1,0,0,0,0|2,0,1]=4 2334 B12R0.234 N#CNCCCCCCCC(=O)N e1e1779a1380e3a6d6073eef1d753be9 [0,1,0,0,0,0|2,0,1]=4 2335 B12R0.234 N#CSCOCCCCCC(=O)O 7db008cbbca587ddf39e3d6df2875f87 [0,1,0,0,0,0|2,0,1]=4 2336 B12R0.234 NC(=O)CCCCCCOCC=O 64934740166158df16fb918d61253319 [0,1,0,0,0,0|2,0,0]=3 2337 B12R0.234 NC(=O)CCCCCCOCCF 4ff84c7a0840087ce5186015f6808fd9 [0,1,0,0,0,0|2,0,1]=4 2338 B12R0.234 NC(=O)CCCCCCOCCS 07602d2aeb6bf41b6d7133a46645c02b [0,1,0,0,0,0|2,0,1]=4 2339 B12R0.234 NC(=O)CCCCCNC/C=C/Cl 46a867e1136212dec39cb02f8c5c39e1 [0,1,0,0,0,0|2,0,0]=3 2340 B12R0.234 NC(=O)CCCCCNC/C=C\Cl 8a3149bbc8ee28db4eaf68934151c9a0 [0,1,0,0,0,0|2,0,0]=3 2341 B12R0.234 NC(=O)CCCCCNC/C=C\O 5ce301ccf2f9f9f0717ce81aa23db7f9 [0,1,0,0,0,0|2,0,0]=3 2342 B12R0.234 NC(=O)CCCCCNCCC=O 78d30759937678cc90e85536f377db2d [0,1,0,0,0,0|2,0,0]=3 2343 B12R0.234 NC(=O)CCCCCNCCCCl 4d50b52e904418cadee0a98eff61e00c [0,1,0,0,0,0|2,0,1]=4 2344 B12R0.234 NC(=O)CCCCCNCCCF 7fb503a7ee230f3597b6e5976c8dd7a9 [0,1,0,0,0,0|2,0,1]=4 2345 B12R0.234 NC(=O)CCCCCNCCCO 901d2b0fefca29538d9aac95899e3441 [0,1,0,0,0,0|2,0,1]=4 2346 B12R0.234 NC(=O)CCCCCNCCCS 463a5632a3d367b36447195cdf721001 [0,1,0,0,0,0|2,0,1]=4 2347 B12R0.234 NC(=O)CCCCCOC/C=C/Cl 4d701f49735cb3beb309f4a29fed798d [0,1,0,0,0,0|2,0,0]=3 2348 B12R0.234 NC(=O)CCCCCOC/C=C\Cl 56f75a2a9759247782f61e1ee3d884d1 [0,1,0,0,0,0|2,0,0]=3 2349 B12R0.234 NC(=O)CCCCCOCC=CCl 8c231dd4eefee3f8dd614f06ec91e0ac [0,1,0,0,0,0|2,0,0]=3 2350 B12R0.234 NC(=O)CCCCCOCCC=O 125594a801aa4471f83184a3731ec7a1 [0,1,0,0,0,0|2,0,0]=3 2351 B12R0.234 NC(=O)CCCCCOCCCF 0d5439db52ecf4aef5a53370eac18bb4 [0,1,0,0,0,0|2,0,1]=4 2352 B12R0.234 NC(=O)CCCCCOCCCS 35e5664f75e4d48859a0dac6c95f9b44 [0,1,0,0,0,0|2,0,1]=4 2353 B12R0.234 NC(=O)CCCCNCCCC=O dde22bf0fcec15d5c1cf7679e6ae8f5c [0,1,0,0,0,0|2,0,0]=3 2354 B12R0.234 NC(=O)CCCCNCCCCCl 95af0f6b2cb248f1f6fd0dbe2fdebfd6 [0,1,0,0,0,0|2,0,1]=4 2355 B12R0.234 NC(=O)CCCCNCCCCF 99262748609389c29bd383e92500e3d4 [0,1,0,0,0,0|2,0,1]=4 2356 B12R0.234 NC(=O)CCCCNCCCCO 8d4ddb0de3a71c5fd50b0c50a81b15b4 [0,1,0,0,0,0|2,0,1]=4 2357 B12R0.234 NC(=O)CCCCNCCCCS e48cbe86078bbe764ee16fc5d7c4a417 [0,1,0,0,0,0|2,0,1]=4 2358 B12R0.234 NC(=O)CCCCOC/C=C/C=O bf9121c17e41c9a570309fb36031b402 [0,1,0,0,0,0|2,0,1]=4 2359 B12R0.234 NC(=O)CCCCOCCCC=O d76d3804d2836459380a5a2ef855f2ce [0,1,0,0,0,0|2,0,0]=3 2360 B12R0.234 NC(=O)CCCCOCCCCF 640b4421a7ef77fce1561c88260e4b1e [0,1,0,0,0,0|2,0,1]=4 2361 B12R0.234 NC(=O)CCCCOCCCCS 44988ccf8ded10aea1f18d0900ef431b [0,1,0,0,0,0|2,0,1]=4 2362 B12R0.234 NC(=O)CCCCOCCNC=O cc3a4796c11940f4f0f5e56a3fc83fb1 [0,1,0,0,0,0|3,0,0]=4 2363 B12R0.234 NC(=O)CCCCOCCOC=O a712aad08282ff25de2e2bac80e543af [0,1,0,0,0,0|3,0,0]=4 2364 B12R0.234 NC(=O)CCCNCCCCC=O ac7dd3d317964ba778865e9408d2bf36 [0,1,0,0,0,0|2,0,0]=3 2365 B12R0.234 NC(=O)CCCNCCCCCCl d8944d5aadb6490808e284594c3a8df7 [0,1,0,0,0,0|2,0,1]=4 2366 B12R0.234 NC(=O)CCCNCCCCCF 5aa1801bddf44ca1672a8d5b7988858d [0,1,0,0,0,0|2,0,1]=4 2367 B12R0.234 NC(=O)CCCNCCCCCO 8c3b8094fc4a8edc9d2e24e5afc9ea8b [0,1,0,0,0,0|2,0,1]=4 2368 B12R0.234 NC(=O)CCCNCCOCC=O 23e4f9faa22585a104c13949a54ce3ac [0,1,0,0,0,0|3,0,0]=4 2369 B12R0.234 NC(=O)CCCOCCCCC=O 261097c38f508940f318e68e4540b925 [0,1,0,0,0,0|2,0,0]=3 2370 B12R0.234 NC(=O)CCCOCCCCCF 0aa3051ce0a30f3a9ae5f56df148a61a [0,1,0,0,0,0|2,0,1]=4 2371 B12R0.234 NC(=O)CCCOCCOCC=O 3db7030a9197788a62fa201b1170d4d5 [0,1,0,0,0,0|3,0,0]=4 2372 B12R0.234 NC(=O)CCNCCCCCC=O 21bb4b2a2e7cc48296cbb3933e5eae59 [0,1,0,0,0,0|2,0,0]=3 2373 B12R0.234 NC(=O)CCNCCCCCCCl d975453f29c16dc493b7e4de03f1d8dc [0,1,0,0,0,0|2,0,1]=4 2374 B12R0.234 NC(=O)CCNCCCCCCF 7134e84677c166419b7d37accdabebf1 [0,1,0,0,0,0|2,0,1]=4 2375 B12R0.234 NC(=O)CCNCCCCCCO fc8d07e5452f342cb6b2a507761da417 [0,1,0,0,0,0|2,0,1]=4 2376 B12R0.234 NC(=O)CCOCCCCCC=O d7e0d1602fc722a1a90ce8cae0d3310d [0,1,0,0,0,0|2,0,0]=3 2377 B12R0.234 NC(=O)CCOCCCCCCF 337b3442c83f88912b64252221400a76 [0,1,0,0,0,0|2,0,1]=4 2378 B12R0.234 NC(=O)CCOCCCCCCS d753ae5257757e6ddf083dd46ea8357e [0,1,0,0,0,0|2,0,1]=4 2379 B12R0.234 NC(=O)CCSCCCNCC=O ea7dc94c7521840f2d8d325aa397195f [0,1,0,0,0,0|3,0,0]=4 2380 B12R0.234 NC(=O)CNCCCCCCC=O b22e2aa7af4d7014f671bd4e3aaf3faf [0,1,0,0,0,0|2,0,0]=3 2381 B12R0.234 NC(=O)CNCCCCCCCO 6c8f747d838a490e5179849ddff8c3a6 [0,1,0,0,0,0|2,0,1]=4 2382 B12R0.234 NC(=O)COCCCCCCC=O 6f30a971f2944c450021ea68a14a612c [0,1,0,0,0,0|2,0,0]=3 2383 B12R0.234 NC(=O)COCCOCCCC=O 7d2b87d9fc6aa7c125f1840bc372bbdb [0,1,0,0,0,0|3,0,0]=4 2384 B12R0.234 NC(=O)CSCCOCCCC=O 86112ac37ef66eed398f201fe30dcbe9 [0,1,0,0,0,0|3,0,0]=4 2385 B12R0.234 NC(=O)NCCOCCCCC=O 5493ed2bf8de52b783016eb24acb5dcc [0,1,0,0,0,0|3,0,0]=4 2386 B12R0.234 NC(=O)NCOCCCCCC=O 5f1bfde1d3d806331671c1dda519c7d9 [0,1,0,0,0,0|3,0,0]=4 2387 B12R0.234 NC(=S)CCNCCCCCC=O 974a49f9e52503ef3c26e42af2eae7a0 [0,1,0,0,0,0|2,1,0]=4 2388 B12R0.234 NC(=S)COCCCCCCC=O 1a68e0e56afaf04ec7d19514b67f5018 [0,1,0,0,0,0|2,1,0]=4 2389 B12R0.234 NOCCCCNCCCC(=O)N b175c5c278a97674f095935f8c20ffdc [0,1,0,0,0,0|3,0,0]=4 2390 B12R0.234 NOCCCCNCCCC(=O)O a9a34aa7a4118ffa5ce33820eb4b2adb [0,1,0,0,0,0|2,0,0]=3 2391 B12R0.234 NOCCNCCCCCC(=O)N c0cddafcad68bd37782ab671e39f0633 [0,1,0,0,0,0|3,0,0]=4 2392 B12R0.234 NOCCNCCCOCC(=O)O 5db7c7a206e1e9b9ed58684a38be1341 [0,1,0,0,0,0|3,0,0]=4 2393 B12R0.234 NOCCNCCOCCC(=O)O 5b8558d51685b7c3f2655c4b4eef999d [0,1,0,0,0,0|3,0,0]=4 2394 B12R0.234 NOCCOCCNCCC(=O)O 7a1a50617b46474551e1a4f08d8afd6f [0,1,0,0,0,0|3,0,0]=4 2395 B12R0.234 O=C(O)CCCCCCCNCF e8c21eba517dcbdb46dd886a12d2b83e [0,1,0,0,0,0|1,0,1]=3 2396 B12R0.234 O=C(O)CCCCCCCNCO 46ea4b8de06cdc8c9d33a0b2d6629d4f [0,1,0,0,0,0|1,0,1]=3 2397 B12R0.234 O=C(O)CCCCCCCOCF ceadc63f6c01355132f6689674f44a15 [0,1,0,0,0,0|1,0,1]=3 2398 B12R0.234 O=C(O)CCCCCCNCCF a44b095052b61095ea26d72940a8b2e2 [0,1,0,0,0,0|1,0,1]=3 2399 B12R0.234 O=C(O)CCCCCCNCCI 631aba465ea99af4cd52b2cabda44c9b [0,1,0,0,0,0|1,0,1]=3 2400 B12R0.234 O=C(O)CCCCCCNCCO e466aba34ada8f3b43cbdd78f4896f31 [0,1,0,0,0,0|1,0,1]=3 2401 B12R0.234 O=C(O)CCCCCCNCCS 460dbdbdc9f50847caf64121432cd243 [0,1,0,0,0,0|1,0,1]=3 2402 B12R0.234 O=C(O)CCCCCCOCCF 2b120b4f2aaff31eb8412cde0417e517 [0,1,0,0,0,0|1,0,1]=3 2403 B12R0.234 O=C(O)CCCCCCOCCS d5c3fcd3c1378d1cb41f2ed359404038 [0,1,0,0,0,0|1,0,1]=3 2404 B12R0.234 O=C(O)CCCCCNC/C=C/Cl 2a78d86d3d407f26c6103e996b935c95 [0,1,0,0,0,0|1,0,0]=2 2405 B12R0.234 O=C(O)CCCCCNC/C=C\Cl b40f3919d8d419e598466e7f214c039c [0,1,0,0,0,0|1,0,0]=2 2406 B12R0.234 O=C(O)CCCCCNC/C=C\O 9b4d43292e3805ac24f724916eda2b69 [0,1,0,0,0,0|1,0,0]=2 2407 B12R0.234 O=C(O)CCCCCNCCCCl b4a98b97329cfa3569049586282e17d0 [0,1,0,0,0,0|1,0,1]=3 2408 B12R0.234 O=C(O)CCCCCNCCCF 62a3ea6ff866acfa606218eab30279e1 [0,1,0,0,0,0|1,0,1]=3 2409 B12R0.234 O=C(O)CCCCCNCCCO 58a008497637fdf5b165dff5462a42c7 [0,1,0,0,0,0|1,0,1]=3 2410 B12R0.234 O=C(O)CCCCCNCCCS 3baa75d4fff40713bc096a6b36b29c5b [0,1,0,0,0,0|1,0,1]=3 2411 B12R0.234 O=C(O)CCCCCOC/C=C/Cl 17c2f7eac5007813cbb913c3d6166dab [0,1,0,0,0,0|1,0,0]=2 2412 B12R0.234 O=C(O)CCCCCOC/C=C\Cl c427feafc95a9a01795015ade2da127e [0,1,0,0,0,0|1,0,0]=2 2413 B12R0.234 O=C(O)CCCCCOCC=CCl ce8915aa753ebafae072b921b189d285 [0,1,0,0,0,0|1,0,0]=2 2414 B12R0.234 O=C(O)CCCCCOCCCF dd2c291f12cbaed1beb5335f96bae866 [0,1,0,0,0,0|1,0,1]=3 2415 B12R0.234 O=C(O)CCCCCOCCCS 52318a2ee5f9f1576a38f1ea4d3aa604 [0,1,0,0,0,0|1,0,1]=3 2416 B12R0.234 O=C(O)CCCCNCCCCCl 0498a09ce5ca0e68dfa361371c0f7bf1 [0,1,0,0,0,0|1,0,1]=3 2417 B12R0.234 O=C(O)CCCCNCCCCF 0d479c406e4272a3b82bfcb5c540d672 [0,1,0,0,0,0|1,0,1]=3 2418 B12R0.234 O=C(O)CCCCNCCCCO 216cfec721e3042e8feb6254e3d4fa16 [0,1,0,0,0,0|1,0,1]=3 2419 B12R0.234 O=C(O)CCCCOCCCCF 1c7b4d17a80c87a331aed20c1f230907 [0,1,0,0,0,0|1,0,1]=3 2420 B12R0.234 O=C(O)CCCCOCCCCS 609d646c0f91479749b9233bcb1c490f [0,1,0,0,0,0|1,0,1]=3 2421 B12R0.234 O=C(O)CCCCOCCNCF d56499dbd095bfff766dbcb8bf4b06e9 [0,1,0,0,0,0|2,0,1]=4 2422 B12R0.234 O=C(O)CCCCOCCNCO 732b8069d1163d67f3b6a4cdf7ea76b7 [0,1,0,0,0,0|2,0,1]=4 2423 B12R0.234 O=C(O)CCCCOCCOCF b399df038709f2758e28022315a64246 [0,1,0,0,0,0|2,0,1]=4 2424 B12R0.234 O=C(O)CCCNCCCCCF b390e59ab52c19d76643ab5a496f8be5 [0,1,0,0,0,0|1,0,1]=3 2425 B12R0.234 O=C(O)CCCNCCCCCO ccd55d445a08a269a77912662ad20a02 [0,1,0,0,0,0|1,0,1]=3 2426 B12R0.234 O=C(O)CCCNCCOCCO a6a00f23457bba0c6c8d1b06bd4eb7fb [0,1,0,0,0,0|2,0,1]=4 2427 B12R0.234 O=C(O)CCCNCCOCCS e31214613860c482cf1f178479af0142 [0,1,0,0,0,0|2,0,1]=4 2428 B12R0.234 O=C(O)CCCNCCSCCO 5458d62badb844dd86abfad2be1d1c9e [0,1,0,0,0,0|2,0,1]=4 2429 B12R0.234 O=C(O)CCCOCCOCCF 6a942b6be774ad86ba72c43d25f111a6 [0,1,0,0,0,0|2,0,1]=4 2430 B12R0.234 O=C(O)CCCOCCOCCS b608e3434e4f2e998b4839b801a53ef2 [0,1,0,0,0,0|2,0,1]=4 2431 B12R0.234 O=C(O)CCNCCCCCCCl 1779a150c58a35b4b142ef0f99b87c12 [0,1,0,0,0,0|1,0,1]=3 2432 B12R0.234 O=C(O)CCNCCCCCCF 348f51d1fa1d38cd1941d93499ec59a3 [0,1,0,0,0,0|1,0,1]=3 2433 B12R0.234 O=C(O)CCNCCCCCCO adf083ed3329272cc8e274ad5ea099f3 [0,1,0,0,0,0|1,0,1]=3 2434 B12R0.234 O=C(O)CCNCCCOCCO 6122e0e0fe887983c11ae90780ac5d74 [0,1,0,0,0,0|2,0,1]=4 2435 B12R0.234 O=C(O)CCNCCOCCCO 436316bcec9e95d4a7bd2530e550339b [0,1,0,0,0,0|2,0,1]=4 2436 B12R0.234 O=C(O)CCOCCCCCCF de3389e1a62dd2e7849bbf5f014ce84d [0,1,0,0,0,0|1,0,1]=3 2437 B12R0.234 O=C(O)CCOCCCCCCS d25d14fb70c112fea0d0063058f34281 [0,1,0,0,0,0|1,0,1]=3 2438 B12R0.234 O=C(O)CCOCCNC/C=C/Cl 926eb70cea234c00fff5f1d2e4eeffda [0,1,0,0,0,0|2,0,0]=3 2439 B12R0.234 O=C(O)CCOCCNC/C=C\Cl 5a390e434c44f4f2d43136eb5dd46541 [0,1,0,0,0,0|2,0,0]=3 2440 B12R0.234 O=C(O)CCOCCNC/C=C\O 43031feed0940ef42af8ddc0a61bec28 [0,1,0,0,0,0|2,0,0]=3 2441 B12R0.234 O=C(O)CCOCCNCCCCl 3d91038c81f73f4041a84ac8656fb22b [0,1,0,0,0,0|2,0,1]=4 2442 B12R0.234 O=C(O)CCOCCNCCCF 3961a956d45ffe76f489501c8a3a44ee [0,1,0,0,0,0|2,0,1]=4 2443 B12R0.234 O=C(O)CCOCCNCCCO 53debc126414b744f8b85aee47dd3806 [0,1,0,0,0,0|2,0,1]=4 2444 B12R0.234 O=C(O)CCOCCNCCCS 37486f5c3cdd9515fdf27f03100dda85 [0,1,0,0,0,0|2,0,1]=4 2445 B12R0.234 O=C(O)CCOCCOC/C=C/Cl 9165b755d49f53a94d16317c91298c21 [0,1,0,0,0,0|2,0,0]=3 2446 B12R0.234 O=C(O)CCOCCOC/C=C\Cl 024098d9c499329fa2fa7391b641b7ec [0,1,0,0,0,0|2,0,0]=3 2447 B12R0.234 O=C(O)CCOCCOCC=CCl b622001d35d1bf66016a76d77cbd3590 [0,1,0,0,0,0|2,0,0]=3 2448 B12R0.234 O=C(O)CCOCCOCCCF 35975f85d66a69e0f35f74a9ea298ad6 [0,1,0,0,0,0|2,0,1]=4 2449 B12R0.234 O=C(O)CCOCCOCCCS 90d1731b220df85e0ce6136e411c71e4 [0,1,0,0,0,0|2,0,1]=4 2450 B12R0.234 O=C(O)CNCCCCCCCO 833cd711f9fd17550098197e241d36dc [0,1,0,0,0,0|1,0,1]=3 2451 B12R0.234 O=C(O)CNCCCCSCCO 08465e4fac1640bfdaf454c3b2d702e8 [0,1,0,0,0,0|2,0,1]=4 2452 B12R0.234 O=C(O)CNCCCOCCCO bd0bbe25a232293535addfef51074174 [0,1,0,0,0,0|2,0,1]=4 2453 B12R0.234 O=C(O)COCCCNCCCCl 9009cd93a954d769449bf4e19c030b76 [0,1,0,0,0,0|2,0,1]=4 2454 B12R0.234 O=C(O)COCCCNCCCO d003f033ae0ad6da8b446adfde7ef8fa [0,1,0,0,0,0|2,0,1]=4 2455 B12R0.234 O=C(O)COCCCOC/C=C/Cl be946e77cb6b12d3e2673b43edd3cf6c [0,1,0,0,0,0|2,0,0]=3 2456 B12R0.234 O=C(O)COCCCOCC=CCl 9a717d5f20146461f26388903921376f [0,1,0,0,0,0|2,0,0]=3 2457 B12R0.234 O=C(O)COCCCOCCCF b314f463f3b0a2758cf5305159de16dd [0,1,0,0,0,0|2,0,1]=4 2458 B12R0.234 O=C(O)COCCCOCCCS d5cbd71c58a480acdf0fcdc9e8d4c60f [0,1,0,0,0,0|2,0,1]=4 2459 B12R0.234 O=C(O)COCCNCCCCCl e9ec17cf453168d4f4a3e185f611f516 [0,1,0,0,0,0|2,0,1]=4 2460 B12R0.234 O=C(O)COCCNCCCCF ac1486c971cc20aebbe208c412d9668f [0,1,0,0,0,0|2,0,1]=4 2461 B12R0.234 O=C(O)COCCNCCCCO fbf5e626a4f39a3494089b149bf6ee0b [0,1,0,0,0,0|2,0,1]=4 2462 B12R0.234 O=C(O)COCCNCCCCS 2d5a5fd6350b2a01e18b83f60ba740da [0,1,0,0,0,0|2,0,1]=4 2463 B12R0.234 O=C(O)COCCOCCCCF 9a71dc33940e39e3634dfd82082042fd [0,1,0,0,0,0|2,0,1]=4 2464 B12R0.234 O=C(O)COCCOCCCCS 36a8675a8c909e57691ec540dc9d9ae6 [0,1,0,0,0,0|2,0,1]=4 2465 B12R0.234 O=C(O)CSCCNCCCCF b49be60fd7da24bcf6cd5439abc384d0 [0,1,0,0,0,0|2,0,1]=4 2466 B12R0.234 O=C(O)CSCCNCCCCO 3d0a0eb82e1338ba9b5190f0a101f466 [0,1,0,0,0,0|2,0,1]=4 2467 B12R0.234 O=C/C=C/COCCCCC(=O)O 5b36d3846f2ef5f5903c5099e4907155 [0,1,0,0,0,0|1,0,1]=3 2468 B12R0.234 O=C/C=C/COCCOCC(=O)O b309659769e71c1a8252a898f0833c56 [0,1,0,0,0,0|2,0,1]=4 2469 B12R0.234 O=CCCCCCCNCC(=O)O b272f4cc8a027bcd5e8c40e78fe1de1b [0,1,0,0,0,0|1,0,0]=2 2470 B12R0.234 O=CCCCCCCOCC(=O)O dd27a7b7d1bb0569ba01ffb53f6eeeaa [0,1,0,0,0,0|1,0,0]=2 2471 B12R0.234 O=CCCCCCCOCS(=O)O 2d6e502251f6623fb08eb213cb67aad4 [0,1,0,0,0,0|2,0,0]=3 2472 B12R0.234 O=CCCCCCNCCC(=O)O 582231b35e100b1ce55d00427c841abf [0,1,0,0,0,0|1,0,0]=2 2473 B12R0.234 O=CCCCCCNCCS(=O)O c778f9b83a52174abe2ebb9891c44e83 [0,1,0,0,0,0|2,0,0]=3 2474 B12R0.234 O=CCCCCCOCCC(=O)O 81e78c643cca19142029da24d32b8d89 [0,1,0,0,0,0|1,0,0]=2 2475 B12R0.234 O=CCCCCCOCC[N+](=O)[O-] f7de86cfd745aaa839d10b963bb44541 [0,1,0,0,0,0|2,0,1]=4 2476 B12R0.234 O=CCCCCNC/C=C/C(=O)O 9567972b67ec16cb7a29541fe3a533ce [0,1,0,0,0,0|1,0,2]=4 2477 B12R0.234 O=CCCCCNCC#CC(=O)O f54fcf17a2e4f9c1fb4bd67945974bfa [0,1,0,0,0,0|1,0,2]=4 2478 B12R0.234 O=CCCCCNCC=CC(=O)O b73b10e3b0e41583bc02ef4874a52b58 [0,1,0,0,0,0|1,0,2]=4 2479 B12R0.234 O=CCCCCNCCCC(=O)O 1c60fead7232f7376775ca8c2f573a3a [0,1,0,0,0,0|1,0,0]=2 2480 B12R0.234 O=CCCCCOC/C=C/C(=O)O c32c937d45194176d7bc6070d2004938 [0,1,0,0,0,0|1,0,2]=4 2481 B12R0.234 O=CCCCCOCC#CC(=O)O 4200b11f918e246296d35e9e52c2fb7f [0,1,0,0,0,0|1,0,2]=4 2482 B12R0.234 O=CCCCCOCC=CC(=O)O d6a45086d388cde3e2bab88f188116a7 [0,1,0,0,0,0|1,0,2]=4 2483 B12R0.234 O=CCCCCOCCCC(=O)O 0a34c15630c4a5355632c142fb7ddaf2 [0,1,0,0,0,0|1,0,0]=2 2484 B12R0.234 O=CCCCCOCCC[N+](=O)[O-] fab824e22e6d6b1d9564f2d9691ceeb3 [0,1,0,0,0,0|2,0,1]=4 2485 B12R0.234 O=CCCCNCCCCC(=O)O 9d21707c925196d42a66de81f366b220 [0,1,0,0,0,0|1,0,0]=2 2486 B12R0.234 O=CCCCNCCOCC(=O)O c25a8a4f6ba68ca67b75036aebeb2b09 [0,1,0,0,0,0|2,0,0]=3 2487 B12R0.234 O=CCCCNCCSCC(=O)O a1a7d2d7040ea6f7ed7a820764446677 [0,1,0,0,0,0|2,0,0]=3 2488 B12R0.234 O=CCCCOCCC#CC(=O)O 39fcf328ee113a3a332eedbec7e5f56f [0,1,0,0,0,0|1,0,2]=4 2489 B12R0.234 O=CCCCOCCCCC(=O)O 869dcfd8a150db8a97b8417504f152bd [0,1,0,0,0,0|1,0,0]=2 2490 B12R0.234 O=CCCCOCCCC[N+](=O)[O-] 9baa416973e2d46bff577cc896a9bc97 [0,1,0,0,0,0|2,0,1]=4 2491 B12R0.234 O=CCCCOCCOCC(=O)O 7f9ad2ec854c7ac1e92cb6faae8041f3 [0,1,0,0,0,0|2,0,0]=3 2492 B12R0.234 O=CCCNCCCCCC(=O)O d3dc0a4e70498987d4aed9007a6bc5e4 [0,1,0,0,0,0|1,0,0]=2 2493 B12R0.234 O=CCCNCCOCCC(=O)O e9c40b3180c1199bee5d29778cf0ac90 [0,1,0,0,0,0|2,0,0]=3 2494 B12R0.234 O=CCCOCCCCCC(=O)O 4348c76a171d8d5cec112d6bedf84675 [0,1,0,0,0,0|1,0,0]=2 2495 B12R0.234 O=CCCOCCCOCC(=O)O f6b67d53f0b53dd50465577b050e6ee4 [0,1,0,0,0,0|2,0,0]=3 2496 B12R0.234 O=CCCOCCOCCC(=O)O f62a052a5af06899e5c240e00c6362e3 [0,1,0,0,0,0|2,0,0]=3 2497 B12R0.234 O=CCNCCCCCCC(=O)O e1345a9c05f1f5a3e98a27d3a7f843e4 [0,1,0,0,0,0|1,0,0]=2 2498 B12R0.234 O=CCNCCSSCCC(=O)O c6830e78dbc5528ed5de91c6b372a45f [0,1,0,0,0,0|3,0,0]=4 2499 B12R0.234 O=CCOCCCCCCC(=O)O 15bfb31e38ccc9be278e2263a2b5b1bd [0,1,0,0,0,0|1,0,0]=2 2500 B12R0.234 O=CCOCCNCCCC(=O)O 88efaed24ddce5b43565f3f72b9f404c [0,1,0,0,0,0|2,0,0]=3 2501 B12R0.234 O=CCOCCOCCCC(=O)O 350d47d52f4d226c43cf625d89c61139 [0,1,0,0,0,0|2,0,0]=3 2502 B12R0.234 O=CCOCCSSCCC(=O)O 2e04d239ca9b0f83517b89123864658d [0,1,0,0,0,0|3,0,0]=4 2503 B12R0.234 O=CNCCOCCCCC(=O)O 2d426770c2b843b5b59243d2ae962f32 [0,1,0,0,0,0|2,0,0]=3 2504 B12R0.234 O=CNCCOCCOCC(=O)O 8763551e07ac5bed29db1d9426d94294 [0,1,0,0,0,0|3,0,0]=4 2505 B12R0.234 O=COCCOCCCCC(=O)O 89dbfdc239555bc2d4d0cbdf09c92387 [0,1,0,0,0,0|2,0,0]=3 2506 B12R0.234 O=COCCOCCOCC(=O)O b949ee2560609bc0dbf30c930f839f63 [0,1,0,0,0,0|3,0,0]=4 2507 B12R0.234 O=S(O)CCNCCCCCCF 6bfa06a32294560e961c43d0bd55f79d [0,1,0,0,0,0|2,0,1]=4 2508 B12R0.234 O=S(O)CCNCCCCCCO 8c6c125e615e399140c65b078faa1e6d [0,1,0,0,0,0|2,0,1]=4 2509 B12R0.248 C#CCCCCCCNC(=O)CO 6c968fe5f9e87c3aa78770adfc05d024 [0,1,0,0,0,0|1,0,2]=4 2510 B12R0.248 C#CCCCCCNCC(=O)CO 9b5b0afe793adacc4c8250723a359920 [0,1,0,0,0,0|1,0,2]=4 2511 B12R0.248 C#CCCCCCNCC(=O)NO fd84f381749ee07685364abf4494c065 [0,1,0,0,0,0|1,0,2]=4 2512 B12R0.248 C#CCCCCCNCC(=O)OC 520d23acc6f0ab6137c3b605896478b7 [0,1,0,0,0,0|1,0,2]=4 2513 B12R0.248 C#CCCCCCOCC(=O)OC 48d6ed526b7a97d74294c4451f2c9346 [0,1,0,0,0,0|1,0,2]=4 2514 B12R0.248 C#CCCCCNCCC(=O)NO 19e8ef54625cbbb385c3f19329d20a55 [0,1,0,0,0,0|1,0,2]=4 2515 B12R0.248 C#CCCCCNCCC(=O)OC 94d6bc458ac794fa9311bfc5ffff2297 [0,1,0,0,0,0|1,0,2]=4 2516 B12R0.248 C#CCCCCOCCC(=O)OC 7d5449133abc37da6f3f7b4544a35090 [0,1,0,0,0,0|1,0,2]=4 2517 B12R0.248 C#CCCCNCCCC(=O)OC e2f5379a9db68c836c890192ff7b2d84 [0,1,0,0,0,0|1,0,2]=4 2518 B12R0.248 C#CCCCOCCCC(=O)OC 734a4c3cc730cad00466b7c7c265e9d7 [0,1,0,0,0,0|1,0,2]=4 2519 B12R0.248 C#CCCNCCCCC(=O)OC 3420dc0ebb952cb9eec32ea3128da57c [0,1,0,0,0,0|1,0,2]=4 2520 B12R0.248 C#CCCOCCCCC(=O)OC 6d0f0519dcf268965a408d413416ed6e [0,1,0,0,0,0|1,0,2]=4 2521 B12R0.248 C#CCNCCCCCC(=O)OC 06c4be94de97308db16039824b0b652f [0,1,0,0,0,0|1,0,2]=4 2522 B12R0.248 C#CCOCCCCCC(=O)OC a62fa4f01b807eb3f3f19159fca226cb [0,1,0,0,0,0|1,0,2]=4 2523 B12R0.248 C/C=C/CCCOCCC(=O)OC 762c6c266e0c3f3a3bcfd2b01af6ef54 [0,1,0,0,0,0|1,0,2]=4 2524 B12R0.248 C/C=C/CCOCCCC(=O)OC a01052563d4562f874f705fd032dd7f2 [0,1,0,0,0,0|1,0,2]=4 2525 B12R0.248 C/C=C/CNCCCCC(=O)OC ed7535ca452b09c51b0739e5b6850a2e [0,1,0,0,0,0|1,0,2]=4 2526 B12R0.248 C/C=C/COCCCCC(=O)OC 555a69364b79ce77ad00f1930d869a02 [0,1,0,0,0,0|1,0,2]=4 2527 B12R0.248 C/C=C\CCCNCCC(=O)NO 083816da7551eef149d92d2afa61afb5 [0,1,0,0,0,0|1,0,2]=4 2528 B12R0.248 C/C=C\CCCNCCC(=O)OC 5dd18d8a758821724e5353f0ba0dcb2f [0,1,0,0,0,0|1,0,2]=4 2529 B12R0.248 C/C=C\CCCOCCC(=O)OC e6569cb5559e243f74c3d4d337073b73 [0,1,0,0,0,0|1,0,2]=4 2530 B12R0.248 C/C=C\CNCCCCC(=O)OC 143c6241bfd253fe4d361e167c230d08 [0,1,0,0,0,0|1,0,2]=4 2531 B12R0.248 C/C=C\COCCCCC(=O)OC 2e4c2d305262502158c67b7a2a5b065b [0,1,0,0,0,0|1,0,2]=4 2532 B12R0.248 C=C(C=O)OCCCCCCC=O ea87482a916c031eefc9c65d51ea9093 [0,1,0,0,0,0|3,0,0]=4 2533 B12R0.248 C=C/C=C/CCNCCC(=O)OC 9f10c5c06982e8fff54462feeaceb6f3 [0,1,0,0,0,0|1,0,2]=4 2534 B12R0.248 C=C=CCCOCCCC(=O)OC 1890151624f670d32edb8d6f2d7bd20a [0,1,0,0,0,0|1,0,2]=4 2535 B12R0.248 C=CC(=O)CCCOCCCC=O b12cb31b9e208c20a5a4a2febf9a780f [0,1,0,0,0,0|3,0,0]=4 2536 B12R0.248 C=CCC#CCCOCC(=O)OC b5eec1d759aa643abe9281b689ae017a [0,1,0,0,0,0|1,0,2]=4 2537 B12R0.248 C=CCCCCCCCN(C)CC 05922fae87e0d7d82619ae491926eea5 [0,1,0,0,0,0|3,0,0]=4 2538 B12R0.248 C=CCCCCCCNC(C)CO b839be17f2e5483fd158fb59a92c845d [0,1,0,0,0,0|2,0,1]=4 2539 B12R0.248 C=CCCCCCCN[C@@H](C)CO 61a8b9ef66d2201e49158c6808465292 [0,1,0,0,0,0|2,0,1]=4 2540 B12R0.248 C=CCCCCCCN[C@H](C)CO ab96304b6ea7fc0a3297febff2479174 [0,1,0,0,0,0|2,0,1]=4 2541 B12R0.248 C=CCCCCCCOC(=C)C=O ce894dbeb5e329b1de8aefbd215c7b32 [0,1,0,0,0,0|2,0,0]=3 2542 B12R0.248 C=CCCCCCCOC(C)C=O ccf5cc60c8267ff8bbea53982f9160a2 [0,1,0,0,0,0|2,0,1]=4 2543 B12R0.248 C=CCCCCCCO[C@H](C)C=O 6eea1290ca253ec92d3e96b6ffbc10aa [0,1,0,0,0,0|2,0,1]=4 2544 B12R0.248 C=CCCCCCNC/C(=C/Cl)/Cl 10d991012b409939d30341a3444ba109 [0,1,0,0,0,0|3,0,0]=4 2545 B12R0.248 C=CCCCCCNCC(=C)C#N d58ce6ee8b6e8d6625c37bd7f348f417 [0,1,0,0,0,0|3,0,0]=4 2546 B12R0.248 C=CCCCCCNCC(=C)CC fe5fc678013584f1ebd701bb6f9e34d3 [0,1,0,0,0,0|3,0,0]=4 2547 B12R0.248 C=CCCCCCNCC(=C)CO 0076181a7ec91d524df97a8a1b7f1a02 [0,1,0,0,0,0|2,0,0]=3 2548 B12R0.248 C=CCCCCCNCC(=C)OC abe4ff264c034a75bc5a4aad9e0cdccb [0,1,0,0,0,0|2,0,0]=3 2549 B12R0.248 C=CCCCCCNCC(=O)CC 9849c5af7ac62ee8e614374e3304a945 [0,1,0,0,0,0|2,0,0]=3 2550 B12R0.248 C=CCCCCCNCC(=O)CO 82f02cac0901f10357db01467cbe301f [0,1,0,0,0,0|1,0,0]=2 2551 B12R0.248 C=CCCCCCNCC(=O)NC 60e78467b1a357af0830ec3863a78082 [0,1,0,0,0,0|2,0,0]=3 2552 B12R0.248 C=CCCCCCNCC(=O)NO 0101e8fe4bcc04b69f39e3c991474b2a [0,1,0,0,0,0|1,0,0]=2 2553 B12R0.248 C=CCCCCCNCC(=O)OC a4c628b10e1a7c79bc97e884a11a44a4 [0,1,0,0,0,0|1,0,0]=2 2554 B12R0.248 C=CCCCCCNCC(C)CO c64537beefc36ea1451bd67e2fced084 [0,1,0,0,0,0|2,0,1]=4 2555 B12R0.248 C=CCCCCCNCC(C)OC f877252499fb5b78a7b1bfb9249ee560 [0,1,0,0,0,0|2,0,1]=4 2556 B12R0.248 C=CCCCCCNCC(F)CO 9f1f485e2177ccd0491b2e502ddc8478 [0,1,0,0,0,0|2,0,1]=4 2557 B12R0.248 C=CCCCCCNCC(O)C=C 86931d09cbcde21fb8b951254f324148 [0,1,0,0,0,0|2,0,1]=4 2558 B12R0.248 C=CCCCCCNCC(O)CC c53ee322bd7cf195bd93e447af2874df [0,1,0,0,0,0|2,0,1]=4 2559 B12R0.248 C=CCCCCCNCC(O)CF bbe86cd1990df7a6d8f398a62fbf0183 [0,1,0,0,0,0|2,0,1]=4 2560 B12R0.248 C=CCCCCCNCC(O)CO a13e426ad62937f922cb9af7a1be75f3 [0,1,0,0,0,0|1,0,2]=4 2561 B12R0.248 C=CCCCCCNC[C@@H](C)CO c1d67facfb7766a53fe84ef3c4becceb [0,1,0,0,0,0|2,0,1]=4 2562 B12R0.248 C=CCCCCCNC[C@@H](C)OC 22a374f8ec2eaf3426c140d280503393 [0,1,0,0,0,0|2,0,1]=4 2563 B12R0.248 C=CCCCCCNC[C@@H](F)CO 657fefcbf0df37f8338cfc25ae8256a7 [0,1,0,0,0,0|2,0,1]=4 2564 B12R0.248 C=CCCCCCNC[C@@H](O)CO 77f3165966232bcfc36d29751b1b955f [0,1,0,0,0,0|1,0,2]=4 2565 B12R0.248 C=CCCCCCNC[C@H](C)CO 5cb2a8fab3b3050688610ee4f81094c1 [0,1,0,0,0,0|2,0,1]=4 2566 B12R0.248 C=CCCCCCNC[C@H](C)OC 43e0fd81bb3b2e8503c1bfd54905141c [0,1,0,0,0,0|2,0,1]=4 2567 B12R0.248 C=CCCCCCNC[C@H](F)CO 0631e0f49d19693f98634c29efae85df [0,1,0,0,0,0|2,0,1]=4 2568 B12R0.248 C=CCCCCCNC[C@H](O)CC 2050cec29203c2819748020d6a7cd558 [0,1,0,0,0,0|2,0,1]=4 2569 B12R0.248 C=CCCCCCNC[C@H](O)CO 319238f8f63f6a98ef828b2dc3ee9b02 [0,1,0,0,0,0|1,0,2]=4 2570 B12R0.248 C=CCCCCCOC/C(=C/Cl)/Cl f39a06dde18e52705eea79093f93f1d0 [0,1,0,0,0,0|3,0,0]=4 2571 B12R0.248 C=CCCCCCOC/C(=C/I)/C ba71c1d8979b1bed2479184296925c84 [0,1,0,0,0,0|3,0,0]=4 2572 B12R0.248 C=CCCCCCOCC(=C)C#N 0ffa4b076fc4feb05752f249f5f21f15 [0,1,0,0,0,0|3,0,0]=4 2573 B12R0.248 C=CCCCCCOCC(=C)CC a768e42b20f5fed631bfb88b44951164 [0,1,0,0,0,0|3,0,0]=4 2574 B12R0.248 C=CCCCCCOCC(=C)OC f93ecb31f4a13a37e3bee4b4ae0ca0fb [0,1,0,0,0,0|2,0,0]=3 2575 B12R0.248 C=CCCCCCOCC(=CI)C bd8ccd7c8c674c2e8d345e407b1e1ee1 [0,1,0,0,0,0|3,0,0]=4 2576 B12R0.248 C=CCCCCCOCC(=O)CC 0efd9e9c03e8c4fff6a36f190cca5720 [0,1,0,0,0,0|2,0,0]=3 2577 B12R0.248 C=CCCCCCOCC(=O)NC 73d1a1619ab72127bbf383e218d50d53 [0,1,0,0,0,0|2,0,0]=3 2578 B12R0.248 C=CCCCCCOCC(=O)OC 1ff41dfb3f700cb947df28a39f84a101 [0,1,0,0,0,0|1,0,0]=2 2579 B12R0.248 C=CCCCCCOCC(C)OC 12dbd4856fc2b40e41b389667d48a0f5 [0,1,0,0,0,0|2,0,1]=4 2580 B12R0.248 C=CCCCCCOCC(O)CO e8b3dbb31d78c7e9bc906a75774ff540 [0,1,0,0,0,0|1,0,2]=4 2581 B12R0.248 C=CCCCCCOC[C@@H](C)OC a919abcef3684ad63bb64e5401623257 [0,1,0,0,0,0|2,0,1]=4 2582 B12R0.248 C=CCCCCCOC[C@@H](O)CO 264566accfed101a7df9edf6b2ae9f68 [0,1,0,0,0,0|1,0,2]=4 2583 B12R0.248 C=CCCCCCOC[C@H](C)OC c494bea4d4cf4fdb762d72ece5a3de95 [0,1,0,0,0,0|2,0,1]=4 2584 B12R0.248 C=CCCCCCOC[C@H](O)CO b0217f6d0cbd47de1598e7f3c4124b04 [0,1,0,0,0,0|1,0,2]=4 2585 B12R0.248 C=CCCCCNCCC(=O)NC 6fa96dc0bfd1bbdc4dba44e74bfddeed [0,1,0,0,0,0|2,0,0]=3 2586 B12R0.248 C=CCCCCNCCC(=O)NO 61929e55629ecf150b4b79f7d82786c7 [0,1,0,0,0,0|1,0,0]=2 2587 B12R0.248 C=CCCCCNCCC(=O)OC bca7e35b40c2bb76eb834b0f294ccfed [0,1,0,0,0,0|1,0,0]=2 2588 B12R0.248 C=CCCCCNCCC(C)CO c18434d474ce890e45fb4bccd40fa525 [0,1,0,0,0,0|2,0,1]=4 2589 B12R0.248 C=CCCCCNCCC(O)CO 6a29183227c9c8777dabfdb937bf333d [0,1,0,0,0,0|1,0,2]=4 2590 B12R0.248 C=CCCCCNCCS(=O)CC 07768d7254622d20ac537211caf21317 [0,1,0,0,0,0|3,0,0]=4 2591 B12R0.248 C=CCCCCNCC[C@@H](C)CO 7e6e4422a9e196f777429fcf809aadbf [0,1,0,0,0,0|2,0,1]=4 2592 B12R0.248 C=CCCCCNCOC(=O)CC b0f25a5d20b242cf72a9d72cb63eac2e [0,1,0,0,0,0|3,0,0]=4 2593 B12R0.248 C=CCCCCNCOC(=O)OC 83c7f09d5782939e5af513c596871e13 [0,1,0,0,0,0|2,0,0]=3 2594 B12R0.248 C=CCCCCOCCC(=O)NC 1883459f16f0354091514b19676fea76 [0,1,0,0,0,0|2,0,0]=3 2595 B12R0.248 C=CCCCCOCCC(=O)OC 9394d3fe008e651f841779e401ec78a4 [0,1,0,0,0,0|1,0,0]=2 2596 B12R0.248 C=CCCCCOCCC(C)OC 60391427dfbf0b65d2c0f0fa5c9bb22a [0,1,0,0,0,0|2,0,1]=4 2597 B12R0.248 C=CCCCCOCCN(C)C=O 8e9eb497ad0afe558b50f8687d915deb [0,1,0,0,0,0|3,0,0]=4 2598 B12R0.248 C=CCCCCOCCS(=O)CC a14b6316660eb938f21fa71f8251f44d [0,1,0,0,0,0|3,0,0]=4 2599 B12R0.248 C=CCCCCOCNC(=O)C=C a549d2ceb5dcb71f294006bca7609b08 [0,1,0,0,0,0|3,0,0]=4 2600 B12R0.248 C=CCCCCOCOC(=O)CC 4f40069a70a44ead5782a646da8c15d2 [0,1,0,0,0,0|3,0,0]=4 2601 B12R0.248 C=CCCCCOCOC(=O)OC af7f0fe69b0f051fe43df6b9c28718ef [0,1,0,0,0,0|2,0,0]=3 2602 B12R0.248 C=CCCCNC/C=C/C(=O)OC 170162e3847831ca65c56ec17b57c589 [0,1,0,0,0,0|1,0,2]=4 2603 B12R0.248 C=CCCCNC/C=C\C(=O)OC c73ebc796442157f4fe2248d95e329c1 [0,1,0,0,0,0|1,0,2]=4 2604 B12R0.248 C=CCCCNCC#CC(=O)OC 5e6a1a6ac3b573995edf058bbc960904 [0,1,0,0,0,0|1,0,2]=4 2605 B12R0.248 C=CCCCNCC=CC(=O)OC e3dd1ddc122d5a7b4fbd73f4f010dc1c [0,1,0,0,0,0|1,0,2]=4 2606 B12R0.248 C=CCCCNCCCC(=O)C=C b4cbde93c5e8d914a964d59b1d8f73ca [0,1,0,0,0,0|2,0,0]=3 2607 B12R0.248 C=CCCCNCCCC(=O)NC 7ac93147e0fa15a417950c58bc9912fc [0,1,0,0,0,0|2,0,0]=3 2608 B12R0.248 C=CCCCNCCCC(=O)OC e50ff4ddd2e8d0028495364e1debeca5 [0,1,0,0,0,0|1,0,0]=2 2609 B12R0.248 C=CCCCNCCCC(C)CO a410e5c7559fbc1ef7234fedde55fe23 [0,1,0,0,0,0|2,0,1]=4 2610 B12R0.248 C=CCCCNCCNC(=O)C=C 85baf5a34cf1b1b23ca40b362c91ab3a [0,1,0,0,0,0|3,0,0]=4 2611 B12R0.248 C=CCCCNCCNC(=O)CC 8e0d36041a6ef4848ecc3a118e1110f8 [0,1,0,0,0,0|3,0,0]=4 2612 B12R0.248 C=CCCCNCCOC(=O)C=C 956ec2fdc715144d6a84671bbf5689a9 [0,1,0,0,0,0|3,0,0]=4 2613 B12R0.248 C=CCCCOC/C=C/C(=O)OC 9dba7c5bc23dd2310ada8a2756a81808 [0,1,0,0,0,0|1,0,2]=4 2614 B12R0.248 C=CCCCOC/C=C\C(=O)OC 018075ca3b261b418407877623fa173e [0,1,0,0,0,0|1,0,2]=4 2615 B12R0.248 C=CCCCOCC#CC(=O)OC bd0dce1004f0a8024c368277c0e58564 [0,1,0,0,0,0|1,0,2]=4 2616 B12R0.248 C=CCCCOCC=CC(=O)OC 0b1a0632bb95a4711407ee345eeca02f [0,1,0,0,0,0|1,0,2]=4 2617 B12R0.248 C=CCCCOCCCC(=O)C=C dfcfcce5d93980b3813d01167c63beef [0,1,0,0,0,0|2,0,0]=3 2618 B12R0.248 C=CCCCOCCCC(=O)NC 172e90c9cf61dd5dd4c51ccc86f5ef17 [0,1,0,0,0,0|2,0,0]=3 2619 B12R0.248 C=CCCCOCCCC(=O)OC fdf05e01fb935f62736a0c3f69151c10 [0,1,0,0,0,0|1,0,0]=2 2620 B12R0.248 C=CCCCOCCNC(=O)C=C 74036bf075f294c33311b22ff05e9bbe [0,1,0,0,0,0|3,0,0]=4 2621 B12R0.248 C=CCCCOCCNC(=O)CC 165b58799eff1224331aba1fb86e41f3 [0,1,0,0,0,0|3,0,0]=4 2622 B12R0.248 C=CCCCOCCOC(=O)C=C 881e017e8cd0fd1f24eb1847d9aefa19 [0,1,0,0,0,0|3,0,0]=4 2623 B12R0.248 C=CCCCOCCOC(=O)CC 9430740cbd73791ad2fc4642dd7fde4c [0,1,0,0,0,0|3,0,0]=4 2624 B12R0.248 C=CCCCOCCOC(=O)OC a27e3cb8c4bb19edbc3f966964331c99 [0,1,0,0,0,0|2,0,0]=3 2625 B12R0.248 C=CCCNCCCCC(=O)CC 1bde8b6efd554b4ffd814d2311d1eea5 [0,1,0,0,0,0|2,0,0]=3 2626 B12R0.248 C=CCCNCCCCC(=O)OC 358630aa157173e8196368de8114629b [0,1,0,0,0,0|1,0,0]=2 2627 B12R0.248 C=CCCNCCOCC(=O)OC caf51101366f8ae80a3923fc5d1dfae2 [0,1,0,0,0,0|2,0,0]=3 2628 B12R0.248 C=CCCOCCCCC(=O)CC f60c3b253d7a040fb9e0c0597f288997 [0,1,0,0,0,0|2,0,0]=3 2629 B12R0.248 C=CCCOCCCCC(=O)OC 5ca9e2be4739ee7cfa5219ded0a74c22 [0,1,0,0,0,0|1,0,0]=2 2630 B12R0.248 C=CCCOCCCNC(=O)C=C 631c44b66dc506cb08b4928fb5b5cf0f [0,1,0,0,0,0|3,0,0]=4 2631 B12R0.248 C=CCCOCCOCC(=O)OC ab907eb831ef7cb9934c05db4856f405 [0,1,0,0,0,0|2,0,0]=3 2632 B12R0.248 C=CCNCCCCCC(=O)OC 8a9d8754d7c2f5903ef0a949d11deb02 [0,1,0,0,0,0|1,0,0]=2 2633 B12R0.248 C=CCOCCCCCC(=O)OC 9142d3e316b96624cde51b1bff36c814 [0,1,0,0,0,0|1,0,0]=2 2634 B12R0.248 C=CCOCCCCNC(=O)C=C 9cea391d5cb953d4374eaa8ebc316a30 [0,1,0,0,0,0|3,0,0]=4 2635 B12R0.248 C=CCOCCCCOC(=O)C=C 81eb5ed4460c2477b195d70c2e4dc2bd [0,1,0,0,0,0|3,0,0]=4 2636 B12R0.248 C=CCOCCCOCC(=O)OC 6200b029854df5a96b7b75ca050b2344 [0,1,0,0,0,0|2,0,0]=3 2637 B12R0.248 C=CCOCCNCCC(=O)NC 6f964efb295a3b6a749fdf5ade4fd10f [0,1,0,0,0,0|3,0,0]=4 2638 B12R0.248 C=CCOCCNCCC(=O)NO a61da9c9041fe6183cb1c85c170589ea [0,1,0,0,0,0|2,0,0]=3 2639 B12R0.248 C=CCOCCNCCC(=O)OC 983a6b8b7a34d2eba7f3512d162be940 [0,1,0,0,0,0|2,0,0]=3 2640 B12R0.248 C=CCOCCOCCC(=O)NC 811927b5835c114fcbc8e7183c427c3b [0,1,0,0,0,0|3,0,0]=4 2641 B12R0.248 C=CCOCCOCCC(=O)OC 4ec8cb0e0262865cc174d03c5fc992bb [0,1,0,0,0,0|2,0,0]=3 2642 B12R0.248 C=CCOCCOCOC(=O)OC 1c07bb8936d3b8b0e38f73a5e8ee20b2 [0,1,0,0,0,0|3,0,0]=4 2643 B12R0.248 C=COCCCCOCC(=C)OC 07cfbfa5fbb59b0da091f909bdcb2144 [0,1,0,0,0,0|3,0,0]=4 2644 B12R0.248 C=COCCCCOCC(=O)CC 53a43596ee5e67c61ecbc38ff844cbdb [0,1,0,0,0,0|3,0,0]=4 2645 B12R0.248 C=COCCCCOCC(=O)NC 9a32026d92451a8cf6964c41d47c69f1 [0,1,0,0,0,0|3,0,0]=4 2646 B12R0.248 C=COCCCCOCC(=O)OC f889300f549a59d1d1448a10903812a8 [0,1,0,0,0,0|2,0,0]=3 2647 B12R0.248 C=COCCCNCCC(=O)NC 2852845937ad912db0b6a2326c9a8f4d [0,1,0,0,0,0|3,0,0]=4 2648 B12R0.248 C=COCCCNCCC(=O)OC 6eae63fa102852d554fd71d9155dc70b [0,1,0,0,0,0|2,0,0]=3 2649 B12R0.248 C=COCCCNCOC(=O)OC ac29d991d17683bc535a6445c7b676fd [0,1,0,0,0,0|3,0,0]=4 2650 B12R0.248 C=COCCNCCCC(=O)C=C a284e6a21541e2ac19ebc8d1bcd159f6 [0,1,0,0,0,0|3,0,0]=4 2651 B12R0.248 C=COCCNCCCC(=O)NC d13b3b527dadb9674c050234ec722106 [0,1,0,0,0,0|3,0,0]=4 2652 B12R0.248 C=COCCNCCCC(=O)OC e7e0c7d67c56bb27fb9fd35f79eb9b7f [0,1,0,0,0,0|2,0,0]=3 2653 B12R0.248 C=COCCOCCCC(=O)C=C 1dc04b949019ff1c6179deb06f6bc7ad [0,1,0,0,0,0|3,0,0]=4 2654 B12R0.248 C=COCCOCCCC(=O)NC f483a3c7af0a3c0a8b4c360239e188e0 [0,1,0,0,0,0|3,0,0]=4 2655 B12R0.248 C=COCCOCCCC(=O)OC 9030fdbf67db80bdb7f84e67f56698c1 [0,1,0,0,0,0|2,0,0]=3 2656 B12R0.248 CC=CCCCOCCC(=O)OC 57dfa1da473d97abaae19a823dfc7a9b [0,1,0,0,0,0|1,0,2]=4 2657 B12R0.248 CC=CCNCCCCC(=O)OC 12ec4d09eb16875443edd041f4ed3c64 [0,1,0,0,0,0|1,0,2]=4 2658 B12R0.248 CC=CCOCCCCC(=O)OC a8900805f9fc94b93ab7f4a57ce8f1c9 [0,1,0,0,0,0|1,0,2]=4 2659 B12R0.248 CCC(=O)CCCCOCCC=O 2189cf16333eff03e2d4f8abb6f5151d [0,1,0,0,0,0|3,0,0]=4 2660 B12R0.248 CCC(=O)COCCCCCC=O e1dd528893d2434bb260d457d1e5cae5 [0,1,0,0,0,0|3,0,0]=4 2661 B12R0.248 CCCCCCCCNC(=O)CO 1b2314c0db76d0a277cf2f0f4d94503d [0,1,0,0,0,0|1,0,2]=4 2662 B12R0.248 CCCCCCCNCC(=O)CO 78260d7bffbe5c9bc7eb28ddafc55fae [0,1,0,0,0,0|1,0,2]=4 2663 B12R0.248 CCCCCCCNCC(=O)NO 466eb679593197d7932fa512c2129bdc [0,1,0,0,0,0|1,0,2]=4 2664 B12R0.248 CCCCCCCNCC(=O)OC 2a593dbd0b5d06f61843f359317cdf86 [0,1,0,0,0,0|1,0,2]=4 2665 B12R0.248 CCCCCCCOCC(=O)OC 04031205afbe774e5f21f17cc5098880 [0,1,0,0,0,0|1,0,2]=4 2666 B12R0.248 CCCCCCNCCC(=O)NO a8c78afb268cd1328fe70b732051854a [0,1,0,0,0,0|1,0,2]=4 2667 B12R0.248 CCCCCCNCCC(=O)OC 88018f823e6b9b368e308c072245caf2 [0,1,0,0,0,0|1,0,2]=4 2668 B12R0.248 CCCCCCOCCC(=O)OC fcfca6f4a105eb36c6bdf010574fee04 [0,1,0,0,0,0|1,0,2]=4 2669 B12R0.248 CCCCCNCCCC(=O)OC df636db288139b82b44ccdc35fadd3aa [0,1,0,0,0,0|1,0,2]=4 2670 B12R0.248 CCCCCOCCCC(=O)OC 6d595d79d4a782dba780cd78bb66a9c8 [0,1,0,0,0,0|1,0,2]=4 2671 B12R0.248 CCCCNCCCCC(=O)OC 581f41ce8229ec98b014f7c6df60648e [0,1,0,0,0,0|1,0,2]=4 2672 B12R0.248 CCCCOCCCCC(=O)OC dd999d0123fc4f5efca686b1cd68edc5 [0,1,0,0,0,0|1,0,2]=4 2673 B12R0.248 CCCNCCCCCC(=O)OC 50a153133ff67a283d48c3f51024f3bc [0,1,0,0,0,0|1,0,2]=4 2674 B12R0.248 CCCOCCCCCC(=O)OC 852d725e6d7eda057314915a42d96742 [0,1,0,0,0,0|1,0,2]=4 2675 B12R0.248 CCNCCCCCCC(=O)OC 1cc47f298a3d094fe024703851966ff0 [0,1,0,0,0,0|1,0,2]=4 2676 B12R0.248 CCOCCCCCCC(=O)OC 86e68201f215ac95030704e4770cdead [0,1,0,0,0,0|1,0,2]=4 2677 B12R0.248 CNC(=O)CCCOCCCC=O 9600f931b0f28f98a538b26c8088d1bf [0,1,0,0,0,0|3,0,0]=4 2678 B12R0.248 CNC(=O)CCNCCCCC=O 8717a350d9cc6574bb4e4710516211d5 [0,1,0,0,0,0|3,0,0]=4 2679 B12R0.248 CNC(=O)CCOCCCCC=O 34a1b6dbf05e90071a09637d0965a724 [0,1,0,0,0,0|3,0,0]=4 2680 B12R0.248 CNC(=O)CNCCCCCC=O 8ad390322eae3b09e6e1bde82577a257 [0,1,0,0,0,0|3,0,0]=4 2681 B12R0.248 CNC(=O)COCCCCCC=O 49dbdd541b823b74076279611c9e84fb [0,1,0,0,0,0|3,0,0]=4 2682 B12R0.248 COC(=O)CCCCCCNC#N 649c1e5cd94f467e4becb409212a066c [0,1,0,0,0,0|2,0,1]=4 2683 B12R0.248 COC(=O)CCCCCCNC=O 304de860608c761d5ca20bea93980e1b [0,1,0,0,0,0|2,0,0]=3 2684 B12R0.248 COC(=O)CCCCCCNCF 00d2a79417200a97151f178431883d3a [0,1,0,0,0,0|2,0,1]=4 2685 B12R0.248 COC(=O)CCCCCCNCO 3a6384b8beafa85876670cf2dd11e09f [0,1,0,0,0,0|2,0,1]=4 2686 B12R0.248 COC(=O)CCCCCCOCF 3c60f089e493255ba7349bb800b8ea93 [0,1,0,0,0,0|2,0,1]=4 2687 B12R0.248 COC(=O)CCCCCNCC#N 20fd085aae08838970368badd2110481 [0,1,0,0,0,0|2,0,1]=4 2688 B12R0.248 COC(=O)CCCCCNCC=O 4cacbdd5adb6b53696f8b8858470ba74 [0,1,0,0,0,0|2,0,0]=3 2689 B12R0.248 COC(=O)CCCCCNCCBr eedf2cc64b954d2d1466dd96b2af1fa3 [0,1,0,0,0,0|2,0,1]=4 2690 B12R0.248 COC(=O)CCCCCNCCF e8065f118934ca3d5f63a601d3c3f41d [0,1,0,0,0,0|2,0,1]=4 2691 B12R0.248 COC(=O)CCCCCNCCI 32f2b0dda4ced89929de48404c3ee160 [0,1,0,0,0,0|2,0,1]=4 2692 B12R0.248 COC(=O)CCCCCNCCO 95607a8bf19c10d1da2194c02b8672e8 [0,1,0,0,0,0|2,0,1]=4 2693 B12R0.248 COC(=O)CCCCCNCCS 482d18f2f1eb4a29e7f89c6c45a82898 [0,1,0,0,0,0|2,0,1]=4 2694 B12R0.248 COC(=O)CCCCCNCSC 4cf48a1f15c73d7301c2eb1583c9b651 [0,1,0,0,0,0|2,0,1]=4 2695 B12R0.248 COC(=O)CCCCCOCC#N 35391e7d67d28c3289516fdf4a316d1a [0,1,0,0,0,0|2,0,1]=4 2696 B12R0.248 COC(=O)CCCCCOCC=O 35bd15de235845fc38f8030b9fe72991 [0,1,0,0,0,0|2,0,0]=3 2697 B12R0.248 COC(=O)CCCCCOCCF 3d8c8a4b1ff9fd3224cdeada597e8997 [0,1,0,0,0,0|2,0,1]=4 2698 B12R0.248 COC(=O)CCCCCOCCS c18bfb54b9cdcd89336a3e4417d301aa [0,1,0,0,0,0|2,0,1]=4 2699 B12R0.248 COC(=O)CCCCCOCSC 8e51b9ba05c4e153c5ec26bd024ed72d [0,1,0,0,0,0|2,0,1]=4 2700 B12R0.248 COC(=O)CCCCNC/C=C/Cl 578ae92946a5195aeb32766b62aa9e58 [0,1,0,0,0,0|2,0,1]=4 2701 B12R0.248 COC(=O)CCCCNC/C=C\Cl 8f0bb036e10e801815c5469b2d24fbd7 [0,1,0,0,0,0|2,0,1]=4 2702 B12R0.248 COC(=O)CCCCNC/C=C\O 71ac98ecb60a998899b11484e21fa4f2 [0,1,0,0,0,0|2,0,1]=4 2703 B12R0.248 COC(=O)CCCCNCCC#N 554077dd38f3852a4c6232a940fcf988 [0,1,0,0,0,0|2,0,1]=4 2704 B12R0.248 COC(=O)CCCCNCCC=O e5dac40515e5ded8f266bf71855cad9e [0,1,0,0,0,0|2,0,0]=3 2705 B12R0.248 COC(=O)CCCCNCCCCl eecef39fff13a3350d880ab78f34b54b [0,1,0,0,0,0|2,0,1]=4 2706 B12R0.248 COC(=O)CCCCNCCCF f3e54d05b7babf10e585cb34f1fc5f4a [0,1,0,0,0,0|2,0,1]=4 2707 B12R0.248 COC(=O)CCCCNCCCO 09bcdbbaf87da0ad6387baa404b26080 [0,1,0,0,0,0|2,0,1]=4 2708 B12R0.248 COC(=O)CCCCNCCCS 5fe215b01b14427476dfc2ae73f76151 [0,1,0,0,0,0|2,0,1]=4 2709 B12R0.248 COC(=O)CCCCNCCON 921515d853e0e1a5d5213ff55dd3211f [0,1,0,0,0,0|3,0,0]=4 2710 B12R0.248 COC(=O)CCCCNCCSC f7ca66bdc7addc4da4fb8f12551a0158 [0,1,0,0,0,0|2,0,1]=4 2711 B12R0.248 COC(=O)CCCCOC/C=C/Cl 0c5cd56cbceba636db23e388ef1f2e4f [0,1,0,0,0,0|2,0,1]=4 2712 B12R0.248 COC(=O)CCCCOC/C=C\Cl d1e2028ae79c542e33c4563d432dbb41 [0,1,0,0,0,0|2,0,1]=4 2713 B12R0.248 COC(=O)CCCCOCC=CCl bf16b6f98639c3ad585bff01e4f73d59 [0,1,0,0,0,0|2,0,1]=4 2714 B12R0.248 COC(=O)CCCCOCCC#N 94ef6900c942794b8b536252cc0d0a0b [0,1,0,0,0,0|2,0,1]=4 2715 B12R0.248 COC(=O)CCCCOCCC=O 10d52c65b7a80f733a80c138f80dc203 [0,1,0,0,0,0|2,0,0]=3 2716 B12R0.248 COC(=O)CCCCOCCCF bbbe3cc0c3dc93f8470810bc74196949 [0,1,0,0,0,0|2,0,1]=4 2717 B12R0.248 COC(=O)CCCCOCCCS 81ad584b317233b8031a8793c90a4cad [0,1,0,0,0,0|2,0,1]=4 2718 B12R0.248 COC(=O)CCCCOCCSC c2c3a617a451eebaa9be27d0f71bb036 [0,1,0,0,0,0|2,0,1]=4 2719 B12R0.248 COC(=O)CCCNCCCC#N 19ecf42a4df0af1477a7ffc04973c7c9 [0,1,0,0,0,0|2,0,1]=4 2720 B12R0.248 COC(=O)CCCNCCCC=O 2af782df223353ea01e5b0fd6be8064b [0,1,0,0,0,0|2,0,0]=3 2721 B12R0.248 COC(=O)CCCNCCCCCl b4e49dd92f6c9fb261ad4b7d5676fd3e [0,1,0,0,0,0|2,0,1]=4 2722 B12R0.248 COC(=O)CCCNCCCCF 900baabd275fc2443dc184cda218b3f6 [0,1,0,0,0,0|2,0,1]=4 2723 B12R0.248 COC(=O)CCCNCCCCO c16239952424f85aa7440b249a78aa61 [0,1,0,0,0,0|2,0,1]=4 2724 B12R0.248 COC(=O)CCCNCCCCS b7c9a1eb7f1e86669bc0c0673e17a6ba [0,1,0,0,0,0|2,0,1]=4 2725 B12R0.248 COC(=O)CCCNCCCSC aa00a290890ec941417e3b42911fa106 [0,1,0,0,0,0|2,0,1]=4 2726 B12R0.248 COC(=O)CCCOCCCC#N 4fd5fb7709a6613c09685cde29743488 [0,1,0,0,0,0|2,0,1]=4 2727 B12R0.248 COC(=O)CCCOCCCC=O 93245c95ff9683a91240cbe71d1fdc81 [0,1,0,0,0,0|2,0,0]=3 2728 B12R0.248 COC(=O)CCCOCCCCF 1482d8cba418161a2e077ca6d7bdef14 [0,1,0,0,0,0|2,0,1]=4 2729 B12R0.248 COC(=O)CCCOCCCCS 6ec1a1d31bb1dfde0174698676a3e7ea [0,1,0,0,0,0|2,0,1]=4 2730 B12R0.248 COC(=O)CCCOCCCSC 84566f51d5ea85990a2d008be9a7cfde [0,1,0,0,0,0|2,0,1]=4 2731 B12R0.248 COC(=O)CCCOCCNC=O 0f5c9a4c10e6938f1f15826503ebda36 [0,1,0,0,0,0|3,0,0]=4 2732 B12R0.248 COC(=O)CCCOCCOC=O f1c1d94c78c9fb2d4b94a89e4f83fd7b [0,1,0,0,0,0|3,0,0]=4 2733 B12R0.248 COC(=O)CCNCCCCC#N 86ef6309d2750848f1920a67d8c4502e [0,1,0,0,0,0|2,0,1]=4 2734 B12R0.248 COC(=O)CCNCCCCC=O 0e004c8fde04227545bc20ab01cf7e63 [0,1,0,0,0,0|2,0,0]=3 2735 B12R0.248 COC(=O)CCNCCCCCCl 2d2b263209268ee0ab40654752b6919c [0,1,0,0,0,0|2,0,1]=4 2736 B12R0.248 COC(=O)CCNCCCCCF 54218cf3cdf27035401d237b8942e981 [0,1,0,0,0,0|2,0,1]=4 2737 B12R0.248 COC(=O)CCNCCCCCO ea77548d1de240df219d599031efc462 [0,1,0,0,0,0|2,0,1]=4 2738 B12R0.248 COC(=O)CCNCCCCON 15c02de9742e2b12e9d6130ca07ad2c6 [0,1,0,0,0,0|3,0,0]=4 2739 B12R0.248 COC(=O)CCNCCCCSC 67431ef940305cfb1d0c861a2a4f528f [0,1,0,0,0,0|2,0,1]=4 2740 B12R0.248 COC(=O)CCNCCOCC=O 95bde6f45424f5f5463102dd5c33caf7 [0,1,0,0,0,0|3,0,0]=4 2741 B12R0.248 COC(=O)CCOCCCCC#N 27571ff7ed51fe71bcc467188ae41470 [0,1,0,0,0,0|2,0,1]=4 2742 B12R0.248 COC(=O)CCOCCCCC=O 6aa6d0a465da568ca0146b67bff7d388 [0,1,0,0,0,0|2,0,0]=3 2743 B12R0.248 COC(=O)CCOCCCCCF 2fab7cb8cb645f8d1406032c1830acc6 [0,1,0,0,0,0|2,0,1]=4 2744 B12R0.248 COC(=O)CCOCCCCSC b741a855b31b680f7773183e0f288ce6 [0,1,0,0,0,0|2,0,1]=4 2745 B12R0.248 COC(=O)CCOCCOCC=O b2e354505cb6e61ac45948bd64f3ae59 [0,1,0,0,0,0|3,0,0]=4 2746 B12R0.248 COC(=O)CNCCCCCC#N 15db25763214679d735758f9a2deb78f [0,1,0,0,0,0|2,0,1]=4 2747 B12R0.248 COC(=O)CNCCCCCC=O 99d78b1bac8e329f4e356cd35c4d98ef [0,1,0,0,0,0|2,0,0]=3 2748 B12R0.248 COC(=O)CNCCCCCCCl 54b174000cb63b2463201d8f9afdfacd [0,1,0,0,0,0|2,0,1]=4 2749 B12R0.248 COC(=O)CNCCCCCCF 180b41c7f6ce638a27bfd2b4c79b9453 [0,1,0,0,0,0|2,0,1]=4 2750 B12R0.248 COC(=O)CNCCCCCCO 49b692ade1eeca8f05072a884c89d69a [0,1,0,0,0,0|2,0,1]=4 2751 B12R0.248 COC(=O)COCCCCCC#N 067d4516f2a7e33ef93c0d683d8d40c3 [0,1,0,0,0,0|2,0,1]=4 2752 B12R0.248 COC(=O)COCCCCCC=O 0b73658532f402148e598a2da216a981 [0,1,0,0,0,0|2,0,0]=3 2753 B12R0.248 COC(=O)COCCCCCCF 066e9acd3a0b96c9aced613b927951aa [0,1,0,0,0,0|2,0,1]=4 2754 B12R0.248 COC(=O)COCCCCCCS da5f0f31cf63aad95cc2934b78a72251 [0,1,0,0,0,0|2,0,1]=4 2755 B12R0.248 COC(=O)COCCCOCC=O 56dc5fdd7326622750be838af21223a8 [0,1,0,0,0,0|3,0,0]=4 2756 B12R0.248 COC(=O)COCCOCCC=O d36547473c7e641841f94fe0a5824b5c [0,1,0,0,0,0|3,0,0]=4 2757 B12R0.248 COC(=O)OCCOCCCC=O 1e72cdb3eb255ab1037f6ca81320e0ed [0,1,0,0,0,0|3,0,0]=4 2758 B12R0.248 COC(=O)OCOCCCCC=O fec7dd036c2eeb3cf907c6b200dd1148 [0,1,0,0,0,0|3,0,0]=4 2759 B12R0.248 COCCCCCNCC(=O)CO 3d62b0c8d589cd5fdcf1ed6791ef54a5 [0,1,0,0,0,0|2,0,1]=4 2760 B12R0.248 COCCCCCNCC(=O)NO a248b93a35826f3d06a10a761935f977 [0,1,0,0,0,0|2,0,1]=4 2761 B12R0.248 COCCCCCNCC(=O)OC d10691bd31d2d0bf1e503578b1c20d28 [0,1,0,0,0,0|2,0,1]=4 2762 B12R0.248 COCCCCCOCC(=O)OC 04445405aa556fee946a295a872f3156 [0,1,0,0,0,0|2,0,1]=4 2763 B12R0.248 COCCCCNCCC(=O)NO fdf02775ddb9fcc641e9d7bad3659c0f [0,1,0,0,0,0|2,0,1]=4 2764 B12R0.248 COCCCCNCCC(=O)OC 866fe67d24453c9c77ba339b24c6f817 [0,1,0,0,0,0|2,0,1]=4 2765 B12R0.248 COCCCCOCCC(=O)OC 6178a26edf97ddd6d174b7671988efc2 [0,1,0,0,0,0|2,0,1]=4 2766 B12R0.248 COCCCNCCCC(=O)OC 8542198eec6606ee078f036e6843754f [0,1,0,0,0,0|2,0,1]=4 2767 B12R0.248 COCCCOCCCC(=O)OC f2bad4807d9478dd3c2bac6ff9bf8583 [0,1,0,0,0,0|2,0,1]=4 2768 B12R0.248 COCCNCCCCC(=O)OC bcc8b4b6498a23c39c6f80eb7f18507a [0,1,0,0,0,0|2,0,1]=4 2769 B12R0.248 COCCOCCCCC(=O)OC f3189c3c74aa0f1aaee5c15977b5fb2f [0,1,0,0,0,0|2,0,1]=4 2770 B12R0.248 COCNCCCCCC(=O)OC 8ad3a9d9c1353c228b1066481f3d2302 [0,1,0,0,0,0|2,0,1]=4 2771 B12R0.248 COCOCCCCCC(=O)OC 19a354151b1498e2c1fa9948463fb1f6 [0,1,0,0,0,0|2,0,1]=4 2772 B12R0.248 N#CCCCCCNCC(=O)CO c24a9f57437e4d7b4208de54bfa40ae4 [0,1,0,0,0,0|2,0,1]=4 2773 B12R0.248 N#CCCCCCNCC(=O)NO 7e70f82a8c6d38fa81de0f1c72ae3130 [0,1,0,0,0,0|2,0,1]=4 2774 B12R0.248 N#CCCCCNCCC(=O)NO 48415f730bd3fa65a9064e046371de1b [0,1,0,0,0,0|2,0,1]=4 2775 B12R0.248 NOCCCCNCCC(=O)NO 330336e93e7f44a9db0269d539386c29 [0,1,0,0,0,0|3,0,0]=4 2776 B12R0.248 O=C(CCNCCCCCF)NO 400702713b3c9f274972c8bd786e2224 [0,1,0,0,0,0|2,0,1]=4 2777 B12R0.248 O=C(CCNCCCCCO)NO 10eb07bb4ab5b3c619230886ffbeb407 [0,1,0,0,0,0|2,0,1]=4 2778 B12R0.248 O=C(CNCCCCCCF)NO d46bb065d6aaab81ae1bca69407ed2c6 [0,1,0,0,0,0|2,0,1]=4 2779 B12R0.248 O=C(CNCCCCCCO)NO b9642d726941a9f2b1f1bacde0347016 [0,1,0,0,0,0|2,0,1]=4 2780 B12R0.248 O=C(CO)CNCCCCCCCl c986aa8335d6a99414b58b46306e1c2d [0,1,0,0,0,0|2,0,1]=4 2781 B12R0.248 O=C(CO)CNCCCCCCO 3963a25aaf3f74378966d98bae19b636 [0,1,0,0,0,0|2,0,1]=4 2782 B12R0.248 O=C(CO)NCCCCCCCO 1d801b6d0b98670986e94cc04bdd6634 [0,1,0,0,0,0|2,0,1]=4 2783 B12R0.248 O=CCCCCCNCC(=O)NO ce3721509899096422f66bf4fdedf76d [0,1,0,0,0,0|2,0,0]=3 2784 B12R0.248 O=CCCCCNCCC(=O)NO b1dfff376a421e2883551693a8d43884 [0,1,0,0,0,0|2,0,0]=3 2785 B12R0.248 O=CCOCCNCCC(=O)NO e303db2df089dfd1fa406ae29f2ab7fa [0,1,0,0,0,0|3,0,0]=4 2786 B12R0.251 C#CCCCCCNC(C)C(=O)O 265ec001b12e2a4daaabed4753d11e7a [0,1,0,0,0,0|1,0,2]=4 2787 B12R0.251 C#CCCCCCNC(O)C(=O)O 9e353f3e75df209a6c004fc59202841f [0,1,0,0,0,0|1,0,2]=4 2788 B12R0.251 C#CCCCCCN[C@@H](C)C(=O)O 6ac1ef8c4c812a144f05935441ce3493 [0,1,0,0,0,0|1,0,2]=4 2789 B12R0.251 C#CCCCCCN[C@H](C)C(=O)O a2b4ffa040288a4600e7031997107d91 [0,1,0,0,0,0|1,0,2]=4 2790 B12R0.251 C#CCCCCCOC(C)C(=O)O 80d7b0b95176e4cb69de64e26a3bb84d [0,1,0,0,0,0|1,0,2]=4 2791 B12R0.251 C#CCCCCCO[C@@H](C)C(=O)O 9b57ec1a6809efb04d48a10ddbbead8c [0,1,0,0,0,0|1,0,2]=4 2792 B12R0.251 C#CCCCCCO[C@H](C)C(=O)O d08957ed511fc5f16c5d8f7c61c82160 [0,1,0,0,0,0|1,0,2]=4 2793 B12R0.251 C#CCCCCNCC(C)C(=O)O a86ee92088eab91077c14f59d8087768 [0,1,0,0,0,0|1,0,2]=4 2794 B12R0.251 C#CCCCCNCC(F)C(=O)O cfb39646146c453519cbd92a5bb34366 [0,1,0,0,0,0|1,0,2]=4 2795 B12R0.251 C#CCCCCNCC(O)C(=O)O f6b53d4c81a6460cfb43e7f0a62b66e6 [0,1,0,0,0,0|1,0,2]=4 2796 B12R0.251 C#CCCCCNC[C@@H](C)C(=O)O 6064b2b8fbe42453a2f0863c4724e7c7 [0,1,0,0,0,0|1,0,2]=4 2797 B12R0.251 C#CCCCCNC[C@@H](O)C(=O)O 9b1a7213765d0bbf6071c8c1ea752924 [0,1,0,0,0,0|1,0,2]=4 2798 B12R0.251 C#CCCCCNC[C@H](C)C(=O)O 4da5f511cb3cceb1e6334fd5780785cf [0,1,0,0,0,0|1,0,2]=4 2799 B12R0.251 C#CCCCCNC[C@H](O)C(=O)O 4ec0847a83cc3b5b4e2cc1d0fd15d014 [0,1,0,0,0,0|1,0,2]=4 2800 B12R0.251 C#CCCCCOCC(C)C(=O)O f0ebc6666244a9490f508551f4950b10 [0,1,0,0,0,0|1,0,2]=4 2801 B12R0.251 C#CCCCCOC[C@@H](C)C(=O)O ab4025c6e87a40f0e6bcd14eb6180872 [0,1,0,0,0,0|1,0,2]=4 2802 B12R0.251 C#CCCCCOC[C@H](C)C(=O)O 588b004d6940a07b5f5398d9b770c30c [0,1,0,0,0,0|1,0,2]=4 2803 B12R0.251 C#CCCCNCCC(F)C(=O)O 1c96d047a9c416057560c5e606e5e182 [0,1,0,0,0,0|1,0,2]=4 2804 B12R0.251 C#CCCCNCCC(O)C(=O)O 0d579af33b7a1b224ef98066ba0579bd [0,1,0,0,0,0|1,0,2]=4 2805 B12R0.251 C#CCCCNCC[C@H](O)C(=O)O bf8fe08a5d31f6326196045bfc8c82c6 [0,1,0,0,0,0|1,0,2]=4 2806 B12R0.251 C#CCCNCCCC(C)C(=O)O 1fb7e64c99110505671c9935f4172ab9 [0,1,0,0,0,0|1,0,2]=4 2807 B12R0.251 C#CCCOCCCC(C)C(=O)O 10be2f3b8a6908ead9e9281ab93685ef [0,1,0,0,0,0|1,0,2]=4 2808 B12R0.251 C/C=C/CCCOCC(C)C(=O)O 130088fcb871ebcb4ca25038ee4282a4 [0,1,0,0,0,0|1,0,2]=4 2809 B12R0.251 C/C=C/COCCCC(C)C(=O)O cde9d37e12a8cb8c86ad7535fa654607 [0,1,0,0,0,0|1,0,2]=4 2810 B12R0.251 C/C=C\CCCNCC(C)C(=O)O ee11827a9daebd35995341ebf8db8dd8 [0,1,0,0,0,0|1,0,2]=4 2811 B12R0.251 C/C=C\CCCNCC(F)C(=O)O 44084b1a005303a92f9ad56571a95948 [0,1,0,0,0,0|1,0,2]=4 2812 B12R0.251 C/C=C\CCCNCC(O)C(=O)O 78cd11ccf370c8990f3b6f7c5590fa3e [0,1,0,0,0,0|1,0,2]=4 2813 B12R0.251 C/C=C\CCCNC[C@@H](C)C(=O)O 0771ed28c0a5ebbfcad48a18642795d6 [0,1,0,0,0,0|1,0,2]=4 2814 B12R0.251 C/C=C\CCCNC[C@@H](O)C(=O)O 7f42751613faf278dc888c471d910156 [0,1,0,0,0,0|1,0,2]=4 2815 B12R0.251 C/C=C\CCCNC[C@H](C)C(=O)O d7ec54c50c12fb7b8c6d420a6ae97911 [0,1,0,0,0,0|1,0,2]=4 2816 B12R0.251 C/C=C\CCCNC[C@H](O)C(=O)O 187dfa865329d0ed0ee2327376aeddcd [0,1,0,0,0,0|1,0,2]=4 2817 B12R0.251 C/C=C\CCCOCC(C)C(=O)O 39d5fdf86e0be311a8ce78726557a00b [0,1,0,0,0,0|1,0,2]=4 2818 B12R0.251 C/C=C\CCCOC[C@@H](C)C(=O)O ddf8c51e5eab9ef6fe8cf717d21265e6 [0,1,0,0,0,0|1,0,2]=4 2819 B12R0.251 C/C=C\CCCOC[C@H](C)C(=O)O 55400b45daf73e453823307bb796829d [0,1,0,0,0,0|1,0,2]=4 2820 B12R0.251 C/C=C\COCCCC(C)C(=O)O bcbcd9a938f4fcffb09fa5027cc673e4 [0,1,0,0,0,0|1,0,2]=4 2821 B12R0.251 C=C(COCCCCC=O)C(=O)O e4392e165a54ad3d4e7e827f961e0dd3 [0,1,0,0,0,0|2,0,1]=4 2822 B12R0.251 C=C/C=C/CCNCC(C)C(=O)O 9f6c956f0c4c815b1ba066ce0fe66c8c [0,1,0,0,0,0|1,0,2]=4 2823 B12R0.251 C=C/C=C/CCNCC(O)C(=O)O be91c31ecbbd912dc489206a82f18f7a [0,1,0,0,0,0|1,0,2]=4 2824 B12R0.251 C=C/C=C/CCNC[C@H](O)C(=O)O 498a57eceb3b3d935c6d30083b413a27 [0,1,0,0,0,0|1,0,2]=4 2825 B12R0.251 C=CCC#CCCOC(C)C(=O)O 1f5410bbc4d5c96f92b36e1c96163c2d [0,1,0,0,0,0|1,0,2]=4 2826 B12R0.251 C=CCC#CCCOC(F)C(=O)O 17e7b145732e6aabb1b756c82000a3a7 [0,1,0,0,0,0|1,0,2]=4 2827 B12R0.251 C=CCC#CCCO[C@@H](C)C(=O)O 7a64a009dbe8f80e19d38c0cde9ef79d [0,1,0,0,0,0|1,0,2]=4 2828 B12R0.251 C=CCC#CCCO[C@@H](F)C(=O)O 6a05c4e55b1febee01d4f8a5c4262ddd [0,1,0,0,0,0|1,0,2]=4 2829 B12R0.251 C=CCC#CCCO[C@H](C)C(=O)O 4cdd95ea3e58098da227375a390d8dec [0,1,0,0,0,0|1,0,2]=4 2830 B12R0.251 C=CCCCCCCN(C)C(=O)C bb1eb6b97f79cfa3a5e0189ea6a5eaa1 [0,1,0,0,0,0|2,0,0]=3 2831 B12R0.251 C=CCCCCCNC(=O)C(=O)C ae7f7803a7b3965b38ed533193c50880 [0,1,0,0,0,0|2,0,1]=4 2832 B12R0.251 C=CCCCCCNC(=O)C(=O)N 5817b91a9ec786e2fd75cab7588fd96c [0,1,0,0,0,0|2,0,1]=4 2833 B12R0.251 C=CCCCCCNC(C)C(=O)C 850ea81e9c79ee91fa0f20ec382a6dfa [0,1,0,0,0,0|2,0,0]=3 2834 B12R0.251 C=CCCCCCNC(C)C(=O)N 8925d9a79214a995799161920a37788d [0,1,0,0,0,0|2,0,0]=3 2835 B12R0.251 C=CCCCCCNC(C)C(=O)O a9ea10f05ceb7838d258d034a3c727bf [0,1,0,0,0,0|1,0,0]=2 2836 B12R0.251 C=CCCCCCNC(C)C(C)O 5a96ad27763610100a4c65ba49abba27 [0,1,0,0,0,0|2,0,1]=4 2837 B12R0.251 C=CCCCCCNC(F)C(=O)N 4afe055c050f766814116d15ac733321 [0,1,0,0,0,0|2,0,0]=3 2838 B12R0.251 C=CCCCCCNC(F)C(=O)O 3e4fb13f3bd50d0c4b835c7a6573af6c [0,1,0,0,0,0|1,0,0]=2 2839 B12R0.251 C=CCCCCCNC(O)C(=O)O 9e226dd0bdc08c9f01d720689b81216d [0,1,0,0,0,0|1,0,0]=2 2840 B12R0.251 C=CCCCCCN[C@@H](C)C(=O)N 65ffe87f32a4a70becca1926e151795a [0,1,0,0,0,0|2,0,0]=3 2841 B12R0.251 C=CCCCCCN[C@@H](C)C(=O)O 7e0f939828a6204f8e793ba963563d36 [0,1,0,0,0,0|1,0,0]=2 2842 B12R0.251 C=CCCCCCN[C@@H](F)C(=O)O c26c99e977d05e1e24127b2f2dfb4f5f [0,1,0,0,0,0|1,0,0]=2 2843 B12R0.251 C=CCCCCCN[C@H](C)C(=O)N 1dea8364a6c8668a5df78ad1000c17c0 [0,1,0,0,0,0|2,0,0]=3 2844 B12R0.251 C=CCCCCCN[C@H](C)C(=O)O f97adda3a0a03691c146bc3b3ba8aa06 [0,1,0,0,0,0|1,0,0]=2 2845 B12R0.251 C=CCCCCCOC(C)C(=O)C 50b46f2d6bae1fbe9151839d5266a259 [0,1,0,0,0,0|2,0,0]=3 2846 B12R0.251 C=CCCCCCOC(C)C(=O)N 35c7af8e8b0b37f189d5bcb19879d4fa [0,1,0,0,0,0|2,0,0]=3 2847 B12R0.251 C=CCCCCCOC(C)C(=O)O e57948c6f8c2140df9a14dbbfd72add4 [0,1,0,0,0,0|1,0,0]=2 2848 B12R0.251 C=CCCCCCOC(F)C(=O)N f99afd12ee97780cb4f5616e843ad743 [0,1,0,0,0,0|2,0,0]=3 2849 B12R0.251 C=CCCCCCOC(F)C(=O)O 8db545aaaa0405549f3d87107e7443e2 [0,1,0,0,0,0|1,0,0]=2 2850 B12R0.251 C=CCCCCCO[C@@H](C)C(=O)N c456f0e4581b874e6444c5dbbff61b2a [0,1,0,0,0,0|2,0,0]=3 2851 B12R0.251 C=CCCCCCO[C@@H](C)C(=O)O 9d0444c7b2527b2e4b685b89d5d1b731 [0,1,0,0,0,0|1,0,0]=2 2852 B12R0.251 C=CCCCCCO[C@@H](F)C(=O)O ffa0515cbdba5f1d5fa5011b2a9da524 [0,1,0,0,0,0|1,0,0]=2 2853 B12R0.251 C=CCCCCCO[C@H](C)C(=O)N b185e66a4992cee6c36293ba13328bfa [0,1,0,0,0,0|2,0,0]=3 2854 B12R0.251 C=CCCCCCO[C@H](C)C(=O)O c7ab6f74168295cd2a46920267be900e [0,1,0,0,0,0|1,0,0]=2 2855 B12R0.251 C=CCCCCNCC(=C)C(=O)O e2f3b195de0cdbe64a7b4225885b790f [0,1,0,0,0,0|1,0,1]=3 2856 B12R0.251 C=CCCCCNCC(=O)C(=O)C f12feccd12bedfaa18f568f926c44164 [0,1,0,0,0,0|2,0,1]=4 2857 B12R0.251 C=CCCCCNCC(=O)C(=O)O 639bc99df3220cc8edaa8dcd1696d77e [0,1,0,0,0,0|1,0,1]=3 2858 B12R0.251 C=CCCCCNCC(C)C(=O)O b6c2193af3b62e7267dc47bdefecd71d [0,1,0,0,0,0|1,0,0]=2 2859 B12R0.251 C=CCCCCNCC(F)C(=O)O 3529427961bb610b4462a1a51aa4beb2 [0,1,0,0,0,0|1,0,0]=2 2860 B12R0.251 C=CCCCCNCC(O)C(=O)O 07d82d2094d3e479f80c2ccf6ca4003b [0,1,0,0,0,0|1,0,0]=2 2861 B12R0.251 C=CCCCCNC[C@@H](C)C(=C)I 327eb26e48a7c99bc41daa5f98eff2c9 [0,1,0,0,0,0|3,0,0]=4 2862 B12R0.251 C=CCCCCNC[C@@H](C)C(=O)O 99e77b085d377316a8e4a82d227a3f04 [0,1,0,0,0,0|1,0,0]=2 2863 B12R0.251 C=CCCCCNC[C@@H](O)C(=O)O b5a6b0c6e8074fcf8c8691f7a55bf851 [0,1,0,0,0,0|1,0,0]=2 2864 B12R0.251 C=CCCCCNC[C@H](C)C(=O)O 3adee02ac203c4e4dde81a180d8eca9c [0,1,0,0,0,0|1,0,0]=2 2865 B12R0.251 C=CCCCCNC[C@H](O)C(=O)O ce75955a2774a438511da19be48462c8 [0,1,0,0,0,0|1,0,0]=2 2866 B12R0.251 C=CCCCCOCC(=C)C(=O)O 31593d124f5eb380f5390dd86aa1504b [0,1,0,0,0,0|1,0,1]=3 2867 B12R0.251 C=CCCCCOCC(=O)C(=O)C d60b6774080b385770e9ff4e56b03040 [0,1,0,0,0,0|2,0,1]=4 2868 B12R0.251 C=CCCCCOCC(=O)C(=O)O b1a5c6689d3bf95cfdcc9644584224be [0,1,0,0,0,0|1,0,1]=3 2869 B12R0.251 C=CCCCCOCC(C)C(=O)C 49f70fdffda81702da71f11804660d90 [0,1,0,0,0,0|2,0,0]=3 2870 B12R0.251 C=CCCCCOCC(C)C(=O)O 46dcc34f80e7cecdcfd28e09a5144af3 [0,1,0,0,0,0|1,0,0]=2 2871 B12R0.251 C=CCCCCOCC(C)[N+](=O)[O-] 0eb9ed166a4b8724bdff048e55f3b1c6 [0,1,0,0,0,0|2,0,1]=4 2872 B12R0.251 C=CCCCCOC[C@@H](C)C(=C)I 3965415baeb704fc63bc9e094c21b1e6 [0,1,0,0,0,0|3,0,0]=4 2873 B12R0.251 C=CCCCCOC[C@@H](C)C(=O)O b3fe63548d050dd7aacce402bcc729af [0,1,0,0,0,0|1,0,0]=2 2874 B12R0.251 C=CCCCCOC[C@H](C)C(=O)O 05de84e80e5191c16ac28617eefffc81 [0,1,0,0,0,0|1,0,0]=2 2875 B12R0.251 C=CCCCNCCC(C)C(=O)C 1d8a6587a753bb91dceb4fa2fcca4962 [0,1,0,0,0,0|2,0,0]=3 2876 B12R0.251 C=CCCCNCCC(F)C(=O)O f8a9e5c813b69457329e12d119aac1cd [0,1,0,0,0,0|1,0,0]=2 2877 B12R0.251 C=CCCCNCCC(O)C(=O)O c106b5627a9affa6ece6081d974ab355 [0,1,0,0,0,0|1,0,0]=2 2878 B12R0.251 C=CCCCNCC[C@H](O)C(=O)O 5ca2045b02232979257c1768b8502150 [0,1,0,0,0,0|1,0,0]=2 2879 B12R0.251 C=CCCCOCCC(C)C(=O)C 9e409142e5810b71d0de0e7363bae00d [0,1,0,0,0,0|2,0,0]=3 2880 B12R0.251 C=CCCCOCCN(C)C(=O)C 57e3db1dc9222f898988d3097ea15a92 [0,1,0,0,0,0|3,0,0]=4 2881 B12R0.251 C=CCCNCCCC(C)C(=O)O acdc3502d703f11ab6bd1b71471d2612 [0,1,0,0,0,0|1,0,0]=2 2882 B12R0.251 C=CCCOCCCC(C)C(=O)O 3ae76c34a1fcf0887b27f45b1740a3e8 [0,1,0,0,0,0|1,0,0]=2 2883 B12R0.251 C=CCNCCSCC(C)C(=O)O 45ecf3af4f99fcb2dbfc86b655670b71 [0,1,0,0,0,0|2,0,0]=3 2884 B12R0.251 C=CCOCCNCC(C)C(=O)O 7ee65f2953d296ea2b2554e3332657c1 [0,1,0,0,0,0|2,0,0]=3 2885 B12R0.251 C=CCOCCNCC(F)C(=O)O db0d35e71de6033764192e69f01fcda5 [0,1,0,0,0,0|2,0,0]=3 2886 B12R0.251 C=CCOCCNCC(O)C(=O)O 108e24c8c28398d998f126a23fcda45f [0,1,0,0,0,0|2,0,0]=3 2887 B12R0.251 C=CCOCCNC[C@@H](C)C(=O)O 5c60115f9ad8c39bda5566dfdf5a715d [0,1,0,0,0,0|2,0,0]=3 2888 B12R0.251 C=CCOCCNC[C@@H](O)C(=O)O e40cc84287ba44439d8b8572c4ef76ea [0,1,0,0,0,0|2,0,0]=3 2889 B12R0.251 C=CCOCCNC[C@H](C)C(=O)O 08192265e3b8951419b7a4e70d091d65 [0,1,0,0,0,0|2,0,0]=3 2890 B12R0.251 C=CCOCCNC[C@H](O)C(=O)O 99b307583ad4c16ae3ee5b10c5ddbe48 [0,1,0,0,0,0|2,0,0]=3 2891 B12R0.251 C=CCOCCOCC(=C)C(=O)O 5e089eca8cdbcac570414e1d60539e52 [0,1,0,0,0,0|2,0,1]=4 2892 B12R0.251 C=CCOCCOCC(=O)C(=O)O 364d1115527b5aadcd44769c35f32031 [0,1,0,0,0,0|2,0,1]=4 2893 B12R0.251 C=CCOCCOCC(C)C(=O)C 78b18c2d58e7c24bfece800611afdc98 [0,1,0,0,0,0|3,0,0]=4 2894 B12R0.251 C=CCOCCOCC(C)C(=O)O f74d415a9e4aa5dfeb8ec0d8d8c09238 [0,1,0,0,0,0|2,0,0]=3 2895 B12R0.251 C=CCOCCOC[C@@H](C)C(=O)O 228958b977f326f8048ccd2019eff16e [0,1,0,0,0,0|2,0,0]=3 2896 B12R0.251 C=CCOCCOC[C@H](C)C(=O)O fb259f8edcb17bf7017145ac20720dc0 [0,1,0,0,0,0|2,0,0]=3 2897 B12R0.251 C=COCCCNCC(=C)C(=O)O 46ad3ede3cdf3119f02aa34e0ba12848 [0,1,0,0,0,0|2,0,1]=4 2898 B12R0.251 C=COCCCNCC(=O)C(=O)O 204966fb63496e51da82993a0b4c9814 [0,1,0,0,0,0|2,0,1]=4 2899 B12R0.251 C=COCCCNCC(C)C(=O)O ccc537fb2c7f30df340bac23c717f99f [0,1,0,0,0,0|2,0,0]=3 2900 B12R0.251 C=COCCCNCC(O)C(=O)O a715b05c7a5e67db9aa653d6cae7a828 [0,1,0,0,0,0|2,0,0]=3 2901 B12R0.251 C=COCCCNC[C@H](O)C(=O)O 7523d8de801a5339a955b1a2f4b0043d [0,1,0,0,0,0|2,0,0]=3 2902 B12R0.251 C=COCCNCCC(C)C(=O)C fb9dc0cfc7fa66e7abd0900770319629 [0,1,0,0,0,0|3,0,0]=4 2903 B12R0.251 C=COCCOCCC(C)C(=O)C 23a30c9aa01df681635fecc508500688 [0,1,0,0,0,0|3,0,0]=4 2904 B12R0.251 CC(=O)C(C)CCOCCCC=O de85f8a6901bde3c450fe4bd4155583c [0,1,0,0,0,0|3,0,0]=4 2905 B12R0.251 CC(=O)C(C)COCCCCC=O 751d5048a4f10f40c7590ecf43980831 [0,1,0,0,0,0|3,0,0]=4 2906 B12R0.251 CC(=O)C(C)OCCCCCC=O 717a9e496fc779c6d9c00c8282697680 [0,1,0,0,0,0|3,0,0]=4 2907 B12R0.251 CC(CCCNCCC#N)C(=O)O 0cfea0c9e5e0b65d9ddd332eaa434ab1 [0,1,0,0,0,0|2,0,1]=4 2908 B12R0.251 CC(CCCNCCCCl)C(=O)O dba527fc3d7bba6083e46433ccd40fdb [0,1,0,0,0,0|2,0,1]=4 2909 B12R0.251 CC(CCCNCCCO)C(=O)O d3b1e3f7812d1fd0c05c1a9084c72f48 [0,1,0,0,0,0|2,0,1]=4 2910 B12R0.251 CC(CCCNCCON)C(=O)O 77c8391f0d0765fcf282710161576dde [0,1,0,0,0,0|3,0,0]=4 2911 B12R0.251 CC(CCCOC/C=C/Cl)C(=O)O 279798989d870611036b547691f3b6e9 [0,1,0,0,0,0|2,0,1]=4 2912 B12R0.251 CC(CCCOCC=CCl)C(=O)O 81ec3b86e3c06a7b0a3bcb8cf5c26e9b [0,1,0,0,0,0|2,0,1]=4 2913 B12R0.251 CC(CCCOCCC#N)C(=O)O 43ef98036778d8deaae0d500346ccf70 [0,1,0,0,0,0|2,0,1]=4 2914 B12R0.251 CC(CCCOCCC=O)C(=O)O 45743dbf509155920351d5dd57393907 [0,1,0,0,0,0|2,0,0]=3 2915 B12R0.251 CC(CCCOCCCF)C(=O)O 1528cea03b13c62e18d806dba2bfe8e9 [0,1,0,0,0,0|2,0,1]=4 2916 B12R0.251 CC(CCCOCCCS)C(=O)O e2f9cc9558916e3b6fb71afc1a5f8c54 [0,1,0,0,0,0|2,0,1]=4 2917 B12R0.251 CC(CNCCCCC#N)C(=O)O fed5bf6f9ba8bb32bfd148753fc12838 [0,1,0,0,0,0|2,0,1]=4 2918 B12R0.251 CC(CNCCCCC=O)C(=O)O efa564f218c7fde2a8268bb024b0dea1 [0,1,0,0,0,0|2,0,0]=3 2919 B12R0.251 CC(CNCCCCCCl)C(=O)O 6a95ec73a267c88c63a1d30075fbe90b [0,1,0,0,0,0|2,0,1]=4 2920 B12R0.251 CC(CNCCCCCF)C(=O)O 7396f223305c3d10a644b29679606552 [0,1,0,0,0,0|2,0,1]=4 2921 B12R0.251 CC(CNCCCCCO)C(=O)O 26725fe02f32b49175254fbc66015163 [0,1,0,0,0,0|2,0,1]=4 2922 B12R0.251 CC(CNCCCCON)C(=O)O 3d26175c70f012326346c1a3c6073eef [0,1,0,0,0,0|3,0,0]=4 2923 B12R0.251 CC(CNCCOCC=O)C(=O)O 0a4b042dbbb92eaccdd8d273b8a0af9b [0,1,0,0,0,0|3,0,0]=4 2924 B12R0.251 CC(COCCCCC#N)C(=O)O ca2148f6abad295897ea1f86386b69cc [0,1,0,0,0,0|2,0,1]=4 2925 B12R0.251 CC(COCCCCC=O)C(=O)O af07af8646c7a600a917c3aaa2440c39 [0,1,0,0,0,0|2,0,0]=3 2926 B12R0.251 CC(COCCCCCF)C(=O)O eae9e8e8fb068aebcc1feba8dd99270f [0,1,0,0,0,0|2,0,1]=4 2927 B12R0.251 CC(COCCOCC=O)C(=O)O 74274bdbf9d7a61cdad0515ad2835ed7 [0,1,0,0,0,0|3,0,0]=4 2928 B12R0.251 CC(CSCCNCC=O)C(=O)O 833cdb900cc02c43f77915237c34f4c2 [0,1,0,0,0,0|3,0,0]=4 2929 B12R0.251 CC(NCCCCCC#N)C(=O)O ef4852de98d8f997e3d9e1d063db3cb5 [0,1,0,0,0,0|2,0,1]=4 2930 B12R0.251 CC(NCCCCCC=O)C(=O)N 3bebd907aa98fed60320bb96b5effe56 [0,1,0,0,0,0|3,0,0]=4 2931 B12R0.251 CC(NCCCCCC=O)C(=O)O 0a5877523d28c9e533d957fe9f94cc43 [0,1,0,0,0,0|2,0,0]=3 2932 B12R0.251 CC(NCCCCCCCl)C(=O)O 8ddbecdc1e410b0616b06fb9aef6828a [0,1,0,0,0,0|2,0,1]=4 2933 B12R0.251 CC(NCCCCCCF)C(=O)O e75033b7de01c1b41659980f46f54116 [0,1,0,0,0,0|2,0,1]=4 2934 B12R0.251 CC(NCCCCCCO)C(=O)O 13acfe371e1a89008e41216d160c93d9 [0,1,0,0,0,0|2,0,1]=4 2935 B12R0.251 CC(OCCCCCC#N)C(=O)O e3aa31c010e20f92a00d9c1a75fc280a [0,1,0,0,0,0|2,0,1]=4 2936 B12R0.251 CC(OCCCCCC=O)C(=O)N 9c72b223968fea7907348e013ab43074 [0,1,0,0,0,0|3,0,0]=4 2937 B12R0.251 CC(OCCCCCC=O)C(=O)O bbc7e96a9b93223b4e37bda80e6e0bdf [0,1,0,0,0,0|2,0,0]=3 2938 B12R0.251 CC(OCCCCCCF)C(=O)O ea3427e991b9a4cb4101bf16ff0dcfc7 [0,1,0,0,0,0|2,0,1]=4 2939 B12R0.251 CC=CCCCOCC(C)C(=O)O 5be3d6092239a1b030c278ce6eb59136 [0,1,0,0,0,0|1,0,2]=4 2940 B12R0.251 CC=CCNCCCC(C)C(=O)O d513c4f680e652004d916f6d8a155a75 [0,1,0,0,0,0|1,0,2]=4 2941 B12R0.251 CC=CCOCCCC(C)C(=O)O f993e29d41efb37986842ae6515c1a98 [0,1,0,0,0,0|1,0,2]=4 2942 B12R0.251 CCCCCCCNC(C)C(=O)O 0bf6764328836a014db9a3a355c88d18 [0,1,0,0,0,0|1,0,2]=4 2943 B12R0.251 CCCCCCCNC(O)C(=O)O f51509c28799bcd70e26502ab647742f [0,1,0,0,0,0|1,0,2]=4 2944 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O f1e125e94fbc3c206396172f15edc259 [0,1,0,0,0,0|1,0,2]=4 2945 B12R0.251 CCCCCCCN[C@H](C)C(=O)O 65aaa795baa16cbae1d560736acb069b [0,1,0,0,0,0|1,0,2]=4 2946 B12R0.251 CCCCCCCOC(C)C(=O)O a6783dbeebb3278a49c34700326a63c1 [0,1,0,0,0,0|1,0,2]=4 2947 B12R0.251 CCCCCCCOC(F)C(=O)O df20dd3791b4bd55c4cc46f047d66b6d [0,1,0,0,0,0|1,0,2]=4 2948 B12R0.251 CCCCCCCO[C@@H](C)C(=O)O 9ade8d39d0b7827b0d2bbc0c4dc21f74 [0,1,0,0,0,0|1,0,2]=4 2949 B12R0.251 CCCCCCCO[C@@H](F)C(=O)O b475846ec3fd1c66fe40d49a75618abc [0,1,0,0,0,0|1,0,2]=4 2950 B12R0.251 CCCCCCCO[C@H](C)C(=O)O 004ba158e34fa871db9ef4e062488bc0 [0,1,0,0,0,0|1,0,2]=4 2951 B12R0.251 CCCCCCNCC(C)C(=O)O 68cbeab6031df552724e5d040ea8d8b9 [0,1,0,0,0,0|1,0,2]=4 2952 B12R0.251 CCCCCCNCC(F)C(=O)O 3a1d9907f0a5d79cb4260215bd6501cd [0,1,0,0,0,0|1,0,2]=4 2953 B12R0.251 CCCCCCNCC(O)C(=O)O 197e92ff6dce457e8910ad871ee7d4c4 [0,1,0,0,0,0|1,0,2]=4 2954 B12R0.251 CCCCCCNC[C@@H](C)C(=O)O 7dc356d9c9c6f90966da67bb84009883 [0,1,0,0,0,0|1,0,2]=4 2955 B12R0.251 CCCCCCNC[C@@H](O)C(=O)O 571f2d6e8ed05e05b2d07a57a18169e5 [0,1,0,0,0,0|1,0,2]=4 2956 B12R0.251 CCCCCCNC[C@H](C)C(=O)O b4b3074fdd0263159af7e473fcc19db3 [0,1,0,0,0,0|1,0,2]=4 2957 B12R0.251 CCCCCCNC[C@H](O)C(=O)O 5585dfd695fc74247eb810ae0d23a2d6 [0,1,0,0,0,0|1,0,2]=4 2958 B12R0.251 CCCCCCOCC(C)C(=O)O 7bd97dee6812a484e02647b0d199144a [0,1,0,0,0,0|1,0,2]=4 2959 B12R0.251 CCCCCCOC[C@@H](C)C(=O)O 8aa4480b40581d4ce42fad9dafad2cb3 [0,1,0,0,0,0|1,0,2]=4 2960 B12R0.251 CCCCCCOC[C@H](C)C(=O)O 4a21028a6ddb0d14a389367d8a007c68 [0,1,0,0,0,0|1,0,2]=4 2961 B12R0.251 CCCCCNCCC(F)C(=O)O 3f0e914ae2f258d054a2682830ee4e2d [0,1,0,0,0,0|1,0,2]=4 2962 B12R0.251 CCCCCNCCC(O)C(=O)O f089e6fabeb0bdad3d1e28e1dad0ed9c [0,1,0,0,0,0|1,0,2]=4 2963 B12R0.251 CCCCCNCC[C@H](O)C(=O)O c77ddabb8687fe061d7b77f13e027bb8 [0,1,0,0,0,0|1,0,2]=4 2964 B12R0.251 CCCCNCCCC(C)C(=O)O eac345f993a3ba654bf1d71fa4b1b602 [0,1,0,0,0,0|1,0,2]=4 2965 B12R0.251 CCCCOCCCC(C)C(=O)O 7eceac3dec75b314e685f395f8f104b7 [0,1,0,0,0,0|1,0,2]=4 2966 B12R0.251 COCCCCCNC(C)C(=O)O 94100760e8232980c4b8836ea55ebb87 [0,1,0,0,0,0|2,0,1]=4 2967 B12R0.251 COCCCCCNC(F)C(=O)O e4f45496e199206318acb27c3564ce2b [0,1,0,0,0,0|2,0,1]=4 2968 B12R0.251 COCCCCCNC(O)C(=O)O d0f970a618b34c5b001b93c0ecabb5f5 [0,1,0,0,0,0|2,0,1]=4 2969 B12R0.251 COCCCCCN[C@@H](C)C(=O)O 5d5057b36c031d3ec6bd63dd0f49cb17 [0,1,0,0,0,0|2,0,1]=4 2970 B12R0.251 COCCCCCN[C@H](C)C(=O)O 792950bb17cadc3e8b34f96e795bc81d [0,1,0,0,0,0|2,0,1]=4 2971 B12R0.251 COCCCCCOC(C)C(=O)O 5b2833a601c2f3d2d7a8a458ba63b62b [0,1,0,0,0,0|2,0,1]=4 2972 B12R0.251 COCCCCCO[C@@H](C)C(=O)O 24952bdec0a89722d1bb0e57aa089c2c [0,1,0,0,0,0|2,0,1]=4 2973 B12R0.251 COCCCCCO[C@H](C)C(=O)O 55984d14095d38af5493a547dd0ec90a [0,1,0,0,0,0|2,0,1]=4 2974 B12R0.251 COCCCCNCC(C)C(=O)O 866bd4021111d37f7d8530bdf8609939 [0,1,0,0,0,0|2,0,1]=4 2975 B12R0.251 COCCCCNCC(F)C(=O)O 757c0c16e9e3f5115212e7bc1e736c50 [0,1,0,0,0,0|2,0,1]=4 2976 B12R0.251 COCCCCNCC(O)C(=O)O 398f35eaeb7ccbad83994f5bf759304c [0,1,0,0,0,0|2,0,1]=4 2977 B12R0.251 COCCCCNC[C@@H](C)C(=O)O c9062a66b5d0afb58060835374e92857 [0,1,0,0,0,0|2,0,1]=4 2978 B12R0.251 COCCCCNC[C@@H](O)C(=O)O 2630571b1a74ec4d0176acdadae35bd6 [0,1,0,0,0,0|2,0,1]=4 2979 B12R0.251 COCCCCNC[C@H](C)C(=O)O e649c0ccf52e1b75efeea246c602b0a4 [0,1,0,0,0,0|2,0,1]=4 2980 B12R0.251 COCCCCNC[C@H](O)C(=O)O c3b46521bae5a596127373fb78ffc772 [0,1,0,0,0,0|2,0,1]=4 2981 B12R0.251 COCCCCOCC(C)C(=O)O 8ec7bcb45b25702ebe818a7a3fb71519 [0,1,0,0,0,0|2,0,1]=4 2982 B12R0.251 COCCCCOC[C@@H](C)C(=O)O 97699ad849857f104f53659fa1c88b0e [0,1,0,0,0,0|2,0,1]=4 2983 B12R0.251 COCCCCOC[C@H](C)C(=O)O 570afaf71b48f37b3d41ed6c5021d82d [0,1,0,0,0,0|2,0,1]=4 2984 B12R0.251 COCCCNCCC(F)C(=O)O 62b0054ae43f6bdac170057a00212e04 [0,1,0,0,0,0|2,0,1]=4 2985 B12R0.251 COCCCNCCC(O)C(=O)O 4e64e371df4274a61870df5457561ff0 [0,1,0,0,0,0|2,0,1]=4 2986 B12R0.251 COCCCNCC[C@H](O)C(=O)O 331c0c3c00e3709a8677e5eb90547898 [0,1,0,0,0,0|2,0,1]=4 2987 B12R0.251 COCCNCCCC(C)C(=O)O 3b0b95898ca8de963aa9b5f93b23b4b6 [0,1,0,0,0,0|2,0,1]=4 2988 B12R0.251 COCCOCCCC(C)C(=O)O 317788692d749bc6da498e03dca7634a [0,1,0,0,0,0|2,0,1]=4 2989 B12R0.251 CSCCCCNCC(C)C(=O)O defbc57d3eac446f5fc2308a6db41c2d [0,1,0,0,0,0|2,0,1]=4 2990 B12R0.251 CSCCCCOCC(C)C(=O)O 0f45ce37520907407464253f32f13a26 [0,1,0,0,0,0|2,0,1]=4 2991 B12R0.251 CSCCCNCCC(F)C(=O)O e307ac54e52c4f8cc58a474c02fc2423 [0,1,0,0,0,0|2,0,1]=4 2992 B12R0.251 CSCCCNCCC(O)C(=O)O 0202439ed49f005c32353e13df9b4185 [0,1,0,0,0,0|2,0,1]=4 2993 B12R0.251 CSCCCNCC[C@H](O)C(=O)O 4568a4e217aa8ff97a8c7066dde6da0b [0,1,0,0,0,0|2,0,1]=4 2994 B12R0.251 CSCCNCCCC(C)C(=O)O 4ef79f5baf27e2c6e7085a6959845fde [0,1,0,0,0,0|2,0,1]=4 2995 B12R0.251 CSCCOCCCC(C)C(=O)O 0e9bcb772cc4127fc6ecae7deea78752 [0,1,0,0,0,0|2,0,1]=4 2996 B12R0.251 C[C@@H](CNCCCCC#N)C(=O)O 2c62d1663ffb49419a2640c75403b17c [0,1,0,0,0,0|2,0,1]=4 2997 B12R0.251 C[C@@H](CNCCCCC=O)C(=O)O 09233628d47cd52d75510c9bf94bb49b [0,1,0,0,0,0|2,0,0]=3 2998 B12R0.251 C[C@@H](CNCCCCCF)C(=O)O 693cf6f588b5a6fa0e41c8e287e01894 [0,1,0,0,0,0|2,0,1]=4 2999 B12R0.251 C[C@@H](CNCCCCCO)C(=O)O c3d8bc77d8ce50d6747653bdd35741f5 [0,1,0,0,0,0|2,0,1]=4 3000 B12R0.251 C[C@@H](CNCCCCON)C(=O)O b1ee3447abc48c8f233e0d6c2d8caae5 [0,1,0,0,0,0|3,0,0]=4 3001 B12R0.251 C[C@@H](CNCCOCC=O)C(=O)O e0db47bb58be33da64fd80f1de668d52 [0,1,0,0,0,0|3,0,0]=4 3002 B12R0.251 C[C@@H](COCCCCC#N)C(=O)O 7d3ce5fbfb164f34edb63e8b54a8b07c [0,1,0,0,0,0|2,0,1]=4 3003 B12R0.251 C[C@@H](COCCCCC=O)C(=O)O 7ff1e28339ba98b14b657ae051c920e5 [0,1,0,0,0,0|2,0,0]=3 3004 B12R0.251 C[C@@H](COCCCCCF)C(=O)O 2fc44e49e73f9f5a2dafbaaa372f7b3f [0,1,0,0,0,0|2,0,1]=4 3005 B12R0.251 C[C@@H](COCCOCC=O)C(=O)O ff62980162b7808ec6d2293d13679a18 [0,1,0,0,0,0|3,0,0]=4 3006 B12R0.251 C[C@@H](NCCCCCC#N)C(=O)O f02e32136aad8a5c3da97f72914ffb20 [0,1,0,0,0,0|2,0,1]=4 3007 B12R0.251 C[C@@H](NCCCCCC=O)C(=O)N 6bb49bed92d83dd40a78e6f2f9d0845a [0,1,0,0,0,0|3,0,0]=4 3008 B12R0.251 C[C@@H](NCCCCCC=O)C(=O)O a2712697a95e1af32bd4dae0cdc373be [0,1,0,0,0,0|2,0,0]=3 3009 B12R0.251 C[C@@H](NCCCCCCCl)C(=O)O 33bb8bd983c4c4c6cefc53b7fc479eba [0,1,0,0,0,0|2,0,1]=4 3010 B12R0.251 C[C@@H](NCCCCCCF)C(=O)O a75a80d20da891921520ecdd5ca49bf5 [0,1,0,0,0,0|2,0,1]=4 3011 B12R0.251 C[C@@H](NCCCCCCO)C(=O)O 6a952f6fd1801fb881d13ebc1db5490c [0,1,0,0,0,0|2,0,1]=4 3012 B12R0.251 C[C@@H](OCCCCCC#N)C(=O)O a5fba2a703aa97e686128e9bbf100de5 [0,1,0,0,0,0|2,0,1]=4 3013 B12R0.251 C[C@@H](OCCCCCC=O)C(=O)N cd101d7184b862ca496c1eb0e02e2e44 [0,1,0,0,0,0|3,0,0]=4 3014 B12R0.251 C[C@@H](OCCCCCC=O)C(=O)O 62f2a071473379548bc5cc0b57fe1a52 [0,1,0,0,0,0|2,0,0]=3 3015 B12R0.251 C[C@@H](OCCCCCCF)C(=O)O 939094be185f886d431cb1f0ec933cbf [0,1,0,0,0,0|2,0,1]=4 3016 B12R0.251 C[C@H](CNCCCCC#N)C(=O)O 690f74731dbf4989272f7424b09efb4a [0,1,0,0,0,0|2,0,1]=4 3017 B12R0.251 C[C@H](CNCCCCC=O)C(=O)O 88025c024ce0a5af07c8a9390e7bea31 [0,1,0,0,0,0|2,0,0]=3 3018 B12R0.251 C[C@H](CNCCCCCF)C(=O)O 78f1edf70e8339c9dafbcca76d9549bb [0,1,0,0,0,0|2,0,1]=4 3019 B12R0.251 C[C@H](CNCCCCCO)C(=O)O a89e28bc058cecc052933397c51df9cb [0,1,0,0,0,0|2,0,1]=4 3020 B12R0.251 C[C@H](CNCCCCON)C(=O)O 2d5e180198e52e9f9a36c25cf6bfddd3 [0,1,0,0,0,0|3,0,0]=4 3021 B12R0.251 C[C@H](CNCCOCC=O)C(=O)O 710ca5ee951b3bd94c68cdd4413541d9 [0,1,0,0,0,0|3,0,0]=4 3022 B12R0.251 C[C@H](COCCCCC#N)C(=O)O bfafe02ec87396568934069a45852e11 [0,1,0,0,0,0|2,0,1]=4 3023 B12R0.251 C[C@H](COCCCCC=O)C(=O)O e0a277da65b2ec46ef025b5c410b1891 [0,1,0,0,0,0|2,0,0]=3 3024 B12R0.251 C[C@H](COCCCCCF)C(=O)O 9beddbe1e9855b3abfb9df83e9efe92d [0,1,0,0,0,0|2,0,1]=4 3025 B12R0.251 C[C@H](COCCOCC=O)C(=O)O e6817da62a3f3b676782fe8eeaf12a7c [0,1,0,0,0,0|3,0,0]=4 3026 B12R0.251 C[C@H](NCCCCCC#N)C(=O)O 8ae6838699b7c2bba99981feded1d817 [0,1,0,0,0,0|2,0,1]=4 3027 B12R0.251 C[C@H](NCCCCCC=O)C(=O)N deea7fc9ee3062f3ec1d004f642cccd6 [0,1,0,0,0,0|3,0,0]=4 3028 B12R0.251 C[C@H](NCCCCCC=O)C(=O)O 112e400445ec654edc4dabbad886e89a [0,1,0,0,0,0|2,0,0]=3 3029 B12R0.251 C[C@H](NCCCCCCCl)C(=O)O 53810d55e51d7385e08e893e5b0c9202 [0,1,0,0,0,0|2,0,1]=4 3030 B12R0.251 C[C@H](NCCCCCCF)C(=O)O 969ac9a3396ffdb86cfffdcfafd80912 [0,1,0,0,0,0|2,0,1]=4 3031 B12R0.251 C[C@H](NCCCCCCO)C(=O)O 3151feec3d8fdee2979681bd3d841b0c [0,1,0,0,0,0|2,0,1]=4 3032 B12R0.251 C[C@H](OCCCCCC#N)C(=O)O a825b7f03b051f49267191b63d93a204 [0,1,0,0,0,0|2,0,1]=4 3033 B12R0.251 C[C@H](OCCCCCC=O)C(=O)N 842f9303506f8430748df2230fa336e0 [0,1,0,0,0,0|3,0,0]=4 3034 B12R0.251 C[C@H](OCCCCCC=O)C(=O)O 531538428be8f12ee28ae37fcc098b8f [0,1,0,0,0,0|2,0,0]=3 3035 B12R0.251 C[C@H](OCCCCCCF)C(=O)O 620e7f4813d57bbb1bb7cf66682cb641 [0,1,0,0,0,0|2,0,1]=4 3036 B12R0.251 N#CCCCCCNC(O)C(=O)O cd1ebe618ead981eb77a75faf6d45c68 [0,1,0,0,0,0|2,0,1]=4 3037 B12R0.251 N#CCCCCNCC(F)C(=O)O ee86d1137e42bbf2585e0f346897101d [0,1,0,0,0,0|2,0,1]=4 3038 B12R0.251 N#CCCCCNCC(O)C(=O)O f900074174cf5486f4dd5b3aff4d5084 [0,1,0,0,0,0|2,0,1]=4 3039 B12R0.251 N#CCCCCNC[C@@H](O)C(=O)O 09f8989276868ae2b3ef1f72ddff5df7 [0,1,0,0,0,0|2,0,1]=4 3040 B12R0.251 N#CCCCCNC[C@H](O)C(=O)O 117d08c05d44f0ba3b0bc674e64d3395 [0,1,0,0,0,0|2,0,1]=4 3041 B12R0.251 N#CCCCNCCC(F)C(=O)O 70e93c935ba6cd22650ccabea6bce113 [0,1,0,0,0,0|2,0,1]=4 3042 B12R0.251 N#CCCCNCCC(O)C(=O)O 7998d0dc6ff392e578d8cdb8f9b6b671 [0,1,0,0,0,0|2,0,1]=4 3043 B12R0.251 N#CCCCNCC[C@H](O)C(=O)O d50b3db7ee0612a582ef55f314e3f54e [0,1,0,0,0,0|2,0,1]=4 3044 B12R0.251 NOCCCCNCC(F)C(=O)O 6221776474112e85d8fa99c4d4facab5 [0,1,0,0,0,0|3,0,0]=4 3045 B12R0.251 NOCCCCNCC(O)C(=O)O 8664cee25c7b4897c61a5cde4604e161 [0,1,0,0,0,0|3,0,0]=4 3046 B12R0.251 NOCCCCNC[C@@H](O)C(=O)O 18fa7dd01eb75f831093d5afcfb00a67 [0,1,0,0,0,0|3,0,0]=4 3047 B12R0.251 NOCCCCNC[C@H](O)C(=O)O 2df54dd212826ed7936190a7f6fe2ca4 [0,1,0,0,0,0|3,0,0]=4 3048 B12R0.251 O=C(O)C(F)CCNCCCCF b5742001e8de963af2d8645dc62aa1a8 [0,1,0,0,0,0|2,0,1]=4 3049 B12R0.251 O=C(O)C(F)CCNCCCCO f34a4991f4822340c5e7107b6476d302 [0,1,0,0,0,0|2,0,1]=4 3050 B12R0.251 O=C(O)C(F)CNCCCCCF 538518a7f69a4b4dc2279300c5b24010 [0,1,0,0,0,0|2,0,1]=4 3051 B12R0.251 O=C(O)C(F)CNCCCCCO 31f766f703eed91f112c61a7da57755d [0,1,0,0,0,0|2,0,1]=4 3052 B12R0.251 O=C(O)C(O)CCNCCCCF 12dddf8e11dbe9f190b25a9dd07ff5ce [0,1,0,0,0,0|2,0,1]=4 3053 B12R0.251 O=C(O)C(O)CCNCCCCO c2091d2109e6abcc4e90aa0e54be1135 [0,1,0,0,0,0|2,0,1]=4 3054 B12R0.251 O=C(O)C(O)CNCCCCCCl 4b13f31f6dea6dfbcb602c8415ef236e [0,1,0,0,0,0|2,0,1]=4 3055 B12R0.251 O=C(O)C(O)CNCCCCCF c23d9dc4eda70bc9e6e791df66441891 [0,1,0,0,0,0|2,0,1]=4 3056 B12R0.251 O=C(O)C(O)CNCCCCCO 4ed75590e14e9b8a1ff6b54a5e642392 [0,1,0,0,0,0|2,0,1]=4 3057 B12R0.251 O=C(O)C(O)NCCCCCCF 25917f800ea62dcaedaeecbdc4d55cc0 [0,1,0,0,0,0|2,0,1]=4 3058 B12R0.251 O=C(O)C(O)NCCCCCCO 115725ec900b84a4d9ec1085b2a91fc8 [0,1,0,0,0,0|2,0,1]=4 3059 B12R0.251 O=C(O)[C@@H](O)CCNCCCCF 24fc1c4c65b03246e24e4774df91bb04 [0,1,0,0,0,0|2,0,1]=4 3060 B12R0.251 O=C(O)[C@@H](O)CCNCCCCO 9fc11a5eb0d3447b6e7cac0ab0491522 [0,1,0,0,0,0|2,0,1]=4 3061 B12R0.251 O=C(O)[C@@H](O)CNCCCCCCl 4b713099ab9baab908ea1280fb85c957 [0,1,0,0,0,0|2,0,1]=4 3062 B12R0.251 O=C(O)[C@@H](O)CNCCCCCF 43ddf951a1fefa0edddcdd75849ad9be [0,1,0,0,0,0|2,0,1]=4 3063 B12R0.251 O=C(O)[C@@H](O)CNCCCCCO 6eaa9913da8321d47b523832008fe766 [0,1,0,0,0,0|2,0,1]=4 3064 B12R0.251 O=C(O)[C@H](O)CNCCCCCF e49449b855b1755de0b2c4d4b23581d3 [0,1,0,0,0,0|2,0,1]=4 3065 B12R0.251 O=C(O)[C@H](O)CNCCCCCO e4aa831e59f5508e567f6b020cf991ec [0,1,0,0,0,0|2,0,1]=4 3066 B12R0.251 O=CCCCCCNC(O)C(=O)O d8a5dd7d80163d96522d5dbad25baac5 [0,1,0,0,0,0|2,0,0]=3 3067 B12R0.251 O=CCCCCNCC(F)C(=O)O f4001781a05a15c3137054786111fecc [0,1,0,0,0,0|2,0,0]=3 3068 B12R0.251 O=CCCCCNCC(O)C(=O)O 4c33eb9336e5d3fe7d031132a95d8d32 [0,1,0,0,0,0|2,0,0]=3 3069 B12R0.251 O=CCCCCNC[C@@H](O)C(=O)O 05a20f79a2a72ec2f1c5e6cf94c6c406 [0,1,0,0,0,0|2,0,0]=3 3070 B12R0.251 O=CCCCCNC[C@H](O)C(=O)O 8f8d36c366482b7b757f6a1ac3d974c1 [0,1,0,0,0,0|2,0,0]=3 3071 B12R0.251 O=CCCCCOCC(=O)C(=O)O e15fe6cc2e85ee056ad5242f20695235 [0,1,0,0,0,0|2,0,1]=4 3072 B12R0.251 O=CCCCNCCC(F)C(=O)O da5f3d78337a3d3ba1c49b15f7f93e40 [0,1,0,0,0,0|2,0,0]=3 3073 B12R0.251 O=CCCCNCCC(O)C(=O)O 4d15a5b69360c50a0928b4350de19c70 [0,1,0,0,0,0|2,0,0]=3 3074 B12R0.251 O=CCCCNCC[C@H](O)C(=O)O 685ca982a319c55152b380485242023e [0,1,0,0,0,0|2,0,0]=3 3075 B12R0.251 O=CCOCCNCC(F)C(=O)O 4482beff6a0183336e24d1b61ec3d0f7 [0,1,0,0,0,0|3,0,0]=4 3076 B12R0.251 O=CCOCCNCC(O)C(=O)O db6d089d72e832509375fbc760192f75 [0,1,0,0,0,0|3,0,0]=4 3077 B12R0.251 O=CCOCCNC[C@@H](O)C(=O)O 142a8b79178878d90167d8537d8a97e6 [0,1,0,0,0,0|3,0,0]=4 3078 B12R0.251 O=CCOCCNC[C@H](O)C(=O)O 583b6037f92486d3ea1f4f9c6cd9b952 [0,1,0,0,0,0|3,0,0]=4 3079 B12R0.255 C#CCCCCN(C)CCC(=O)O b4759703a4b9c0f30a12d84b82a1d6bc [0,1,0,0,0,0|1,0,2]=4 3080 B12R0.255 C#CCCCNC(C)CCC(=O)O 1f16351915753a5d99f1b4784f2e57e9 [0,1,0,0,0,0|1,0,2]=4 3081 B12R0.255 C#CCCCN[C@@H](C)CCC(=O)O 7c81cd979109bf0b69a0172727aad943 [0,1,0,0,0,0|1,0,2]=4 3082 B12R0.255 C#CCCCOC(C)CCC(=O)O 44e97724cf2aa09a4e9309fcea6f26be [0,1,0,0,0,0|1,0,2]=4 3083 B12R0.255 C/C=C/CCOC(C)CCC(=O)O 583fb33ca6799c94ec044a95c8e24d55 [0,1,0,0,0,0|1,0,2]=4 3084 B12R0.255 C/C=C\CCCN(C)CCC(=O)O e74ad45d511c42d5ce1d2614b006a45e [0,1,0,0,0,0|1,0,2]=4 3085 B12R0.255 C=C=CCCOC(C)CCC(=O)O 0ad586d71fe25ab5ed4285867d279f4e [0,1,0,0,0,0|1,0,2]=4 3086 B12R0.255 C=CCCCCC(=O)NCC(=O)C 3fd495bf6da9026bd2bd589e207658cb [0,1,0,0,0,0|2,0,1]=4 3087 B12R0.255 C=CCCCCC(=O)NCC(=O)N 1d86a5fdbb78187132b7313da500b2ff [0,1,0,0,0,0|2,0,1]=4 3088 B12R0.255 C=CCCCCC(C)OCC(=C)Br b2473e6d13c9bd798b7340136dfe895f [0,1,0,0,0,0|3,0,0]=4 3089 B12R0.255 C=CCCCCC(C)OCC(=C)C f039b0c28df9c49b60eeea2a57274b92 [0,1,0,0,0,0|3,0,0]=4 3090 B12R0.255 C=CCCCCC(C)OCC(=C)Cl 8536993edff5f87ca3f6b52b7615ef3e [0,1,0,0,0,0|3,0,0]=4 3091 B12R0.255 C=CCCCCC(C)OCC(=C)F 4ab5b770f0d174eb37e882c40b41e135 [0,1,0,0,0,0|3,0,0]=4 3092 B12R0.255 C=CCCCCC(C)OCC(=O)N e45f15cd3675507ccbf22b1558f053fc [0,1,0,0,0,0|2,0,0]=3 3093 B12R0.255 C=CCCCCC(C)OCC(=O)O 8403925449bae788f741421b999f69e6 [0,1,0,0,0,0|1,0,0]=2 3094 B12R0.255 C=CCCCCC(C)OC[N+](=O)[O-] 4a76902da79485e1a8e67113edc2860e [0,1,0,0,0,0|2,0,1]=4 3095 B12R0.255 C=CCCCCN(C)CCC(=C)C ff616944df77a5bf79ab52986125ba8c [0,1,0,0,0,0|3,0,0]=4 3096 B12R0.255 C=CCCCCN(C)CCC(=O)C 0b4968800fe0bb5255b0b8dd7e06e521 [0,1,0,0,0,0|2,0,0]=3 3097 B12R0.255 C=CCCCCN(C)CCC(=O)N 9fa4be554b1d1d23662df2a65c7713a0 [0,1,0,0,0,0|2,0,0]=3 3098 B12R0.255 C=CCCCCN(C)CCC(=O)O 090177db97345636f0adc0ee3294e2fb [0,1,0,0,0,0|1,0,0]=2 3099 B12R0.255 C=CCCCCN(C)CCC(C)O 7bb83031afc8a6882761f7912d26b245 [0,1,0,0,0,0|2,0,1]=4 3100 B12R0.255 C=CCCCCN(C)CCS(=O)C 0ac78f2487d9bf0368dd673f97f869b9 [0,1,0,0,0,0|3,0,0]=4 3101 B12R0.255 C=CCCCCN(C)COC(=O)C c48edac3bd7f8207c422f5faf50f74f7 [0,1,0,0,0,0|3,0,0]=4 3102 B12R0.255 C=CCCCCN(C)CSC(=O)N 8ac413588de6f4816f8b21c850caae5b [0,1,0,0,0,0|3,0,0]=4 3103 B12R0.255 C=CCCCC[C@@H](C)OCC(=C)Br 567b8767ce055dae89a8b774d626f63e [0,1,0,0,0,0|3,0,0]=4 3104 B12R0.255 C=CCCCC[C@@H](C)OCC(=C)C c7eed84f77ae95e65c05395dd7f16eed [0,1,0,0,0,0|3,0,0]=4 3105 B12R0.255 C=CCCCC[C@@H](C)OCC(=C)Cl 9c7bd2fad7dd1b8410d34c82914f1531 [0,1,0,0,0,0|3,0,0]=4 3106 B12R0.255 C=CCCCC[C@@H](C)OCC(=C)F a3d1e965961f8d51e9d8aa9cce2962c0 [0,1,0,0,0,0|3,0,0]=4 3107 B12R0.255 C=CCCCC[C@@H](C)OCC(=O)N e50d308709fabe9a3bf0c76e2bd877c4 [0,1,0,0,0,0|2,0,0]=3 3108 B12R0.255 C=CCCCC[C@@H](C)OCC(=O)O 4f8e1345495702c0c017913f7b334c91 [0,1,0,0,0,0|1,0,0]=2 3109 B12R0.255 C=CCCCC[C@@H](C)OC[N+](=O)[O-] d271cd2134a837b6a07f52bfb602ad5c [0,1,0,0,0,0|2,0,1]=4 3110 B12R0.255 C=CCCCNC(=O)CCC(=O)C bc239f81479e57a70f22953f42091067 [0,1,0,0,0,0|2,0,1]=4 3111 B12R0.255 C=CCCCNC(=O)CCC(=O)N 36782318b3501a04a39b4c265c3ea552 [0,1,0,0,0,0|2,0,1]=4 3112 B12R0.255 C=CCCCNC(=O)NCC(=O)O f65b9dc707acebad000af6f90b4fd644 [0,1,0,0,0,0|2,0,1]=4 3113 B12R0.255 C=CCCCNC(=S)NCC(=O)O 09499eae5bb4203f14e34e0f7f76e62f [0,1,0,0,0,0|2,0,1]=4 3114 B12R0.255 C=CCCCNC(C)CCC(=O)O c94417adae2776d4148a301aa56d41a8 [0,1,0,0,0,0|1,0,0]=2 3115 B12R0.255 C=CCCCN[C@@H](C)CCC(=O)O 8e610db51b115b45666a6c78c594b9be [0,1,0,0,0,0|1,0,0]=2 3116 B12R0.255 C=CCCCOC(C)CCC(=O)O b67baf89d5b7ab7eed2bec59d6172dd0 [0,1,0,0,0,0|1,0,0]=2 3117 B12R0.255 C=CCCCOC(C)CNC(=O)C 12560d7ddca0490922a811835b24d983 [0,1,0,0,0,0|3,0,0]=4 3118 B12R0.255 C=CCCCOC(C)COC(=O)C 24b1b92a5af37939b79654e476a7d122 [0,1,0,0,0,0|3,0,0]=4 3119 B12R0.255 C=CCCNCC(=O)CCC(=O)O 04958fefaa21b1cb3c84a1d87e86cbba [0,1,0,0,0,0|1,0,1]=3 3120 B12R0.255 C=CCCNCC(=O)NCC(=O)O c9c0aa33e64651fb3eacf4c25c2e1b17 [0,1,0,0,0,0|2,0,1]=4 3121 B12R0.255 C=CCCNCC(C)COC(=O)C 8b966611d292de8ce8598b9ac8ebfb83 [0,1,0,0,0,0|3,0,0]=4 3122 B12R0.255 C=CCCNCC(O)COC(=O)C 7ffcb2700651b983ad4c4f656e30472f [0,1,0,0,0,0|3,0,0]=4 3123 B12R0.255 C=CCCOCC(=O)CCC(=O)O 60440059db7837a2bf3825a2faf63f36 [0,1,0,0,0,0|1,0,1]=3 3124 B12R0.255 C=CCCOCC(=O)NCC(=O)O 33135dd249c1404ade60e7bd260738a5 [0,1,0,0,0,0|2,0,1]=4 3125 B12R0.255 C=CCCOCC(C)COC(=O)C 414eff1c7e543202ac9d27934a7306bf [0,1,0,0,0,0|3,0,0]=4 3126 B12R0.255 C=CCCOC[C@@H](C)COC(=O)C b48cc3da1a09720b8c471ee0c6c15505 [0,1,0,0,0,0|3,0,0]=4 3127 B12R0.255 C=CCNCCN(C)CCC(=O)O b5739ebc9a4bf1b731258c09e1c35c31 [0,1,0,0,0,0|2,0,0]=3 3128 B12R0.255 C=CCOCCN(C)CCC(=O)N cc3ae6aead6da34a58c9805e55774417 [0,1,0,0,0,0|3,0,0]=4 3129 B12R0.255 C=CCOCCN(C)CCC(=O)O 7f55095574751d02cc5f6740b278fa83 [0,1,0,0,0,0|2,0,0]=3 3130 B12R0.255 C=COCCNC(C)CCC(=O)O 37ac1f1c66773df154ff0d298a1da620 [0,1,0,0,0,0|2,0,0]=3 3131 B12R0.255 CC(CCC(=O)O)NCCCC#N 7666c51e62ddd7a5d8dc1396d3c70e14 [0,1,0,0,0,0|2,0,1]=4 3132 B12R0.255 CC(CCC(=O)O)NCCCC=O 304c28c4a2aadf3257060c5ad27daf58 [0,1,0,0,0,0|2,0,0]=3 3133 B12R0.255 CC(CCC(=O)O)NCCCCCl 8362b25aa7a2d26ef25bf84874d98d31 [0,1,0,0,0,0|2,0,1]=4 3134 B12R0.255 CC(CCC(=O)O)NCCCCF 6696e88c2b5fac67672736aa56882db8 [0,1,0,0,0,0|2,0,1]=4 3135 B12R0.255 CC(CCC(=O)O)NCCCCO bfde166eb5ffdc0e6566e9ccf149b744 [0,1,0,0,0,0|2,0,1]=4 3136 B12R0.255 CC(CCC(=O)O)NCCCCS 2d289ad84f2a924e20a4dd2cf7c51ee0 [0,1,0,0,0,0|2,0,1]=4 3137 B12R0.255 CC(CCC(=O)O)OCCCC#N 88cbd57954229daa82b71dc7275a6046 [0,1,0,0,0,0|2,0,1]=4 3138 B12R0.255 CC(CCC(=O)O)OCCCC=O 9c253280793bf6a0decd2d98511fa6db [0,1,0,0,0,0|2,0,0]=3 3139 B12R0.255 CC(CCC(=O)O)OCCCCF 5e789bc4ac4935b76ce66c269cf89b0e [0,1,0,0,0,0|2,0,1]=4 3140 B12R0.255 CC(CCC(=O)O)OCCCCS b48556e4f422c6c95b28065b5bb85478 [0,1,0,0,0,0|2,0,1]=4 3141 B12R0.255 CC(CCC(=O)O)OCCNC=O 1d74f9110d09c26a4f6fcb9f53a174af [0,1,0,0,0,0|3,0,0]=4 3142 B12R0.255 CC(CCC(=O)O)OCCOC=O 9e7c2b71d6ad7850933bde3155f3885e [0,1,0,0,0,0|3,0,0]=4 3143 B12R0.255 CCCCCCC(C)NCC(=O)O 5b4ef846d71e5227a255848f84ef3adb [0,1,0,0,0,0|1,0,2]=4 3144 B12R0.255 CCCCCCC(C)OCC(=O)O bf6da62cb517a7400bc7e361626de98d [0,1,0,0,0,0|1,0,2]=4 3145 B12R0.255 CCCCCCN(C)CCC(=O)O 3ee6fb03f9f9bf3501eecfc92744a975 [0,1,0,0,0,0|1,0,2]=4 3146 B12R0.255 CCCCCC[C@@H](C)NCC(=O)O b4d3a1ddcb935fb82355d0e55f57b6c5 [0,1,0,0,0,0|1,0,2]=4 3147 B12R0.255 CCCCCC[C@@H](C)OCC(=O)O 6a2cc292694e77902215affab05046db [0,1,0,0,0,0|1,0,2]=4 3148 B12R0.255 CCCCCC[C@H](C)NCC(=O)O 2edf41aded485414f03bcf3127daaac2 [0,1,0,0,0,0|1,0,2]=4 3149 B12R0.255 CCCCCC[C@H](C)OCC(=O)O a23bbfbc06cec00fc6872e21388755e1 [0,1,0,0,0,0|1,0,2]=4 3150 B12R0.255 CCCCCNC(C)CCC(=O)O 730b0df9d7fa73e87407a0302aed1146 [0,1,0,0,0,0|1,0,2]=4 3151 B12R0.255 CCCCCN[C@@H](C)CCC(=O)O 4387733a443a9a8b950031c87b714308 [0,1,0,0,0,0|1,0,2]=4 3152 B12R0.255 CCCCCOC(C)CCC(=O)O 77363f5fe2bc3f8f43385acd048d6314 [0,1,0,0,0,0|1,0,2]=4 3153 B12R0.255 CN(CCCCC#N)CCC(=O)O c53bcae197235fe89e03aeae3b9ae676 [0,1,0,0,0,0|2,0,1]=4 3154 B12R0.255 CN(CCCCC=O)CCC(=O)N b58176b3a36e262dee10d7548d309580 [0,1,0,0,0,0|3,0,0]=4 3155 B12R0.255 CN(CCCCC=O)CCC(=O)O a01bf3ff3d46dd1bdf585c39e8240750 [0,1,0,0,0,0|2,0,0]=3 3156 B12R0.255 CN(CCCCCF)CCC(=O)O c0ab8e5243f2bcacc539fbe3270e59cc [0,1,0,0,0,0|2,0,1]=4 3157 B12R0.255 CN(CCCCCO)CCC(=O)O baa7928292ea2aba1f28c81664cc3d03 [0,1,0,0,0,0|2,0,1]=4 3158 B12R0.255 CN(CCCCON)CCC(=O)O 30ef8a0f431c62a6a3fdcd693486f693 [0,1,0,0,0,0|3,0,0]=4 3159 B12R0.255 CN(CCNCC=O)CCC(=O)O 72495499e2105b079a2edd855bdb1443 [0,1,0,0,0,0|3,0,0]=4 3160 B12R0.255 CN(CCOCC=O)CCC(=O)O 11c7ae05b1c9255db1f60af33e5b551d [0,1,0,0,0,0|3,0,0]=4 3161 B12R0.255 COCCCCN(C)CCC(=O)O dd82c66fc6f7856235e8d4212ef8efaf [0,1,0,0,0,0|2,0,1]=4 3162 B12R0.255 COCCCNC(C)CCC(=O)O 708c88b90a042ff70139da63494a83c1 [0,1,0,0,0,0|2,0,1]=4 3163 B12R0.255 COCCCN[C@@H](C)CCC(=O)O d12c244e070381e4c83c032e74ae4dfb [0,1,0,0,0,0|2,0,1]=4 3164 B12R0.255 COCCCOC(C)CCC(=O)O 4c45646b9131c617172a2ede7a1ba834 [0,1,0,0,0,0|2,0,1]=4 3165 B12R0.255 CSCCCNC(C)CCC(=O)O 1b3519ede145d3ee6da9285130d9f6bc [0,1,0,0,0,0|2,0,1]=4 3166 B12R0.255 CSCCCN[C@@H](C)CCC(=O)O d72653a7b39cd406ee3d078540baa443 [0,1,0,0,0,0|2,0,1]=4 3167 B12R0.255 CSCCCOC(C)CCC(=O)O 0ad049a2ce7d414d9e6912492a9c47c8 [0,1,0,0,0,0|2,0,1]=4 3168 B12R0.255 C[C@@H](CCC(=O)O)NCCCC#N 1b6cd99121833d96ef2ecb624c5597cc [0,1,0,0,0,0|2,0,1]=4 3169 B12R0.255 C[C@@H](CCC(=O)O)NCCCC=O c9dcb400a5c87efc0368b828f8b3f01a [0,1,0,0,0,0|2,0,0]=3 3170 B12R0.255 C[C@@H](CCC(=O)O)NCCCCF 60afe827768ca21eb64dbc6b6dcd392c [0,1,0,0,0,0|2,0,1]=4 3171 B12R0.255 C[C@@H](CCC(=O)O)NCCCCO 60650f65146ffcf3f96696a2c249cc9a [0,1,0,0,0,0|2,0,1]=4 3172 B12R0.255 O=CCCNCC(=O)CCC(=O)O 36af55cfa52895ff2933f8ed5123a7ae [0,1,0,0,0,0|2,0,1]=4 3173 B12R0.255 O=CCCOCC(=O)CCC(=O)O b1ff99719b4373d17faa14ad7d2f653e [0,1,0,0,0,0|2,0,1]=4 3174 B12R0.268 C/C(=C/CNCCCCC(=O)O)/I 085f063aec8f0ab2292bbff17e89021a [0,1,0,0,0,0|1,0,2]=4 3175 B12R0.268 C/C(=C/COCCCCC(=O)O)/Cl c4e07a9f2a2d77c4f45bb35dad302af5 [0,1,0,0,0,0|1,0,2]=4 3176 B12R0.268 C/C(=C/COCCCCC(=O)O)/I 8270b90ea747ec00d65dc8c712db44d0 [0,1,0,0,0,0|1,0,2]=4 3177 B12R0.268 C/C(=C\CNCCCCC(=O)O)/Cl fe3e6575525812c9ab43db8ed7aa3cdd [0,1,0,0,0,0|1,0,2]=4 3178 B12R0.268 C/C(=C\COCCCCC(=O)O)/Cl 6a7309f25c73d84ee12f459f03cf1ea7 [0,1,0,0,0,0|1,0,2]=4 3179 B12R0.268 C=C(Br)CCOCCCCC(=O)C 2f9b583ea98fe6e8c2f3e2a766f3052b [0,1,0,0,0,0|2,0,0]=3 3180 B12R0.268 C=C(Br)CCOCCCCC(=O)N 21e41fbead932b250b240995a45f9d6e [0,1,0,0,0,0|2,0,0]=3 3181 B12R0.268 C=C(Br)CCOCCCCC(=O)O cf03396004fb5bc72892fc004be3f4c7 [0,1,0,0,0,0|1,0,0]=2 3182 B12R0.268 C=C(Br)CCOCCCNC(=O)C 621d3ce6644dcc5a12f7b578ae80f71d [0,1,0,0,0,0|3,0,0]=4 3183 B12R0.268 C=C(Br)CCOCCCOC(=O)C 5432a58c46a15a75195411408d420c87 [0,1,0,0,0,0|3,0,0]=4 3184 B12R0.268 C=C(Br)CCOCCCSC(=O)C 3e7be3a13648dc260a14bc6c272cb921 [0,1,0,0,0,0|3,0,0]=4 3185 B12R0.268 C=C(Br)CCOCCOCC(=O)N dab67848ed54dfb768922bfcb35d87a2 [0,1,0,0,0,0|3,0,0]=4 3186 B12R0.268 C=C(Br)CCOCCOCC(=O)O e3de30c8d90c200ed1e247086d133587 [0,1,0,0,0,0|2,0,0]=3 3187 B12R0.268 C=C(Br)CNCCCCCC(=O)C cabaa1efbed15f340bf6f7fef4ac0594 [0,1,0,0,0,0|2,0,0]=3 3188 B12R0.268 C=C(Br)CNCCCCCC(=O)N 0ddee40d9866b1de360950f6286a944a [0,1,0,0,0,0|2,0,0]=3 3189 B12R0.268 C=C(Br)CNCCCCCC(=O)O 86117f9ab9f0e670d80bfaf56b65a3fe [0,1,0,0,0,0|1,0,0]=2 3190 B12R0.268 C=C(Br)CNCCCCNC(=O)C 5fa38a826fa4607b109f74eb87ced7e3 [0,1,0,0,0,0|3,0,0]=4 3191 B12R0.268 C=C(Br)CNCCCCOC(=O)C b0fab4c3fc420f8d7a78db937cefbdc7 [0,1,0,0,0,0|3,0,0]=4 3192 B12R0.268 C=C(Br)CNCCCCSC(=O)C ce8638077dc61105427d5e5919d756e6 [0,1,0,0,0,0|3,0,0]=4 3193 B12R0.268 C=C(Br)CNCCCOCC(=O)O c8b21999026ecb68ca334e115b589434 [0,1,0,0,0,0|2,0,0]=3 3194 B12R0.268 C=C(Br)CNCCOCCC(=O)O 8d39352283d4d6d3d488002506de5133 [0,1,0,0,0,0|2,0,0]=3 3195 B12R0.268 C=C(Br)COCCCCCC(=O)C 4974be8be3ba05c1af64be8461e4858e [0,1,0,0,0,0|2,0,0]=3 3196 B12R0.268 C=C(Br)COCCCCCC(=O)N 4c655189da60ab9af02522538e442021 [0,1,0,0,0,0|2,0,0]=3 3197 B12R0.268 C=C(Br)COCCCCCC(=O)O c5f8762d43315e68a8f53f33e3e4f1a8 [0,1,0,0,0,0|1,0,0]=2 3198 B12R0.268 C=C(Br)COCCCCOC(=O)C 63d61e53e92389be0f10d0c212b4b50f [0,1,0,0,0,0|3,0,0]=4 3199 B12R0.268 C=C(Br)COCCCCSC(=O)C 00a78475c6f6f84a00d0447412a17344 [0,1,0,0,0,0|3,0,0]=4 3200 B12R0.268 C=C(Br)COCCOCCC(=O)O b6ae35629ff2e268d2a3ccef848834d0 [0,1,0,0,0,0|2,0,0]=3 3201 B12R0.268 C=C(C)CCCNC/C=C/C(=O)O c1f05c3e40206e87d7a0fa351fe72c71 [0,1,0,0,0,0|1,0,2]=4 3202 B12R0.268 C=C(C)CCCNCC#CC(=O)O 45e066b98858f06bae1c43ae3282a96b [0,1,0,0,0,0|1,0,2]=4 3203 B12R0.268 C=C(C)CCCNCC=CC(=O)O 0c3a834ed591e4f9ddbb04afa4fcac22 [0,1,0,0,0,0|1,0,2]=4 3204 B12R0.268 C=C(C)CCCNCCCC(=O)N 0debbc82a2ac07d7e5dcfd8071d0112b [0,1,0,0,0,0|2,0,0]=3 3205 B12R0.268 C=C(C)CCCNCCCC(=O)O 401133199570d86083fb69d9e07e5dd9 [0,1,0,0,0,0|1,0,0]=2 3206 B12R0.268 C=C(C)CCCNCCCS(=O)C f8500d83994e896cd43978932ef9f4c0 [0,1,0,0,0,0|3,0,0]=4 3207 B12R0.268 C=C(C)CCCNCCNC(=O)C d94f693c1820e3d53ab77b9e7aa50626 [0,1,0,0,0,0|3,0,0]=4 3208 B12R0.268 C=C(C)CCCOC/C=C/C(=O)O b0899a5a240b949c4e45c58e181af740 [0,1,0,0,0,0|1,0,2]=4 3209 B12R0.268 C=C(C)CCCOCC#CC(=O)O 0a7f0c087dbe72f811b9aafd8855ebf3 [0,1,0,0,0,0|1,0,2]=4 3210 B12R0.268 C=C(C)CCCOCC=CC(=O)O ef2f309f528d769a6261f6f3de883d10 [0,1,0,0,0,0|1,0,2]=4 3211 B12R0.268 C=C(C)CCCOCCCC(=C)C 6a281160fde29faaf0f47ad711acb83a [0,1,0,0,0,0|3,0,0]=4 3212 B12R0.268 C=C(C)CCCOCCCC(=O)C 85ea5be5ec91ca989912fb41e7956f52 [0,1,0,0,0,0|2,0,0]=3 3213 B12R0.268 C=C(C)CCCOCCCC(=O)N d7248e194b8ad02a6d4542e070a59170 [0,1,0,0,0,0|2,0,0]=3 3214 B12R0.268 C=C(C)CCCOCCC[N+](=O)[O-] f9002e911264eba90c46492085a75bea [0,1,0,0,0,0|2,0,1]=4 3215 B12R0.268 C=C(C)CCCOCCNC(=O)C d0c7d96c4572734a4644eb96c98a8938 [0,1,0,0,0,0|3,0,0]=4 3216 B12R0.268 C=C(C)CCCOCCNC(=O)N c0ec76418c271770f73cdddc1d2e972f [0,1,0,0,0,0|3,0,0]=4 3217 B12R0.268 C=C(C)CCCOCCOC(=O)C 65e838b9fecdf76f73455fb860294848 [0,1,0,0,0,0|3,0,0]=4 3218 B12R0.268 C=C(C)CCCOCCSC(=O)C ecfc5ff1ed16dfaaed20e914a5e9115f [0,1,0,0,0,0|3,0,0]=4 3219 B12R0.268 C=C(C)CCNCCCCC(=O)C 8af745a49dd37a92c4f6497d22dd9a1f [0,1,0,0,0,0|2,0,0]=3 3220 B12R0.268 C=C(C)CCNCCCCC(=O)N 27eb15bf662185302a527329f2ea8d21 [0,1,0,0,0,0|2,0,0]=3 3221 B12R0.268 C=C(C)CCNCCCCC(=O)O 7ded057362cee7b4f78cc561b97a4aec [0,1,0,0,0,0|1,0,0]=2 3222 B12R0.268 C=C(C)CCNCCCCC(C)O 531e7b52746a3942d918f35b54324792 [0,1,0,0,0,0|2,0,1]=4 3223 B12R0.268 C=C(C)CCNCCCC[C@@H](C)O 0f2a127206a37e34a5aa866065108ee5 [0,1,0,0,0,0|2,0,1]=4 3224 B12R0.268 C=C(C)CCNCCCNC(=O)C 23ad2c6ef58de405a4eec03afec8bcd8 [0,1,0,0,0,0|3,0,0]=4 3225 B12R0.268 C=C(C)CCNCCCOC(=O)C 56a9e7a7c70943ae310514db2df4bff1 [0,1,0,0,0,0|3,0,0]=4 3226 B12R0.268 C=C(C)CCNCCCSC(=O)C b683bdf46918f2c470ae1dd331a966cb [0,1,0,0,0,0|3,0,0]=4 3227 B12R0.268 C=C(C)CCNCCOCC(=O)N 1f558ca544eb0847a535533d7be3142c [0,1,0,0,0,0|3,0,0]=4 3228 B12R0.268 C=C(C)CCNCCOCC(=O)O 909ddef4b6931e20c6c12a66fff401ab [0,1,0,0,0,0|2,0,0]=3 3229 B12R0.268 C=C(C)CCNCCSCC(=O)O 864bff8cfb18aa35852b3efc5ef37eb4 [0,1,0,0,0,0|2,0,0]=3 3230 B12R0.268 C=C(C)CCOCCC#CC(=O)O 15460165dd6a9c770eb638a30873273c [0,1,0,0,0,0|1,0,2]=4 3231 B12R0.268 C=C(C)CCOCCCCC(=O)C 79eda8867f357751aa92b507ca39a5c3 [0,1,0,0,0,0|2,0,0]=3 3232 B12R0.268 C=C(C)CCOCCCCC(=O)N 81042b9a43e9dc377f3a6a80ee6f4791 [0,1,0,0,0,0|2,0,0]=3 3233 B12R0.268 C=C(C)CCOCCCCC(=O)O cc56ac07909f798a1d3153e10840b4a9 [0,1,0,0,0,0|1,0,0]=2 3234 B12R0.268 C=C(C)CCOCCCC[N+](=O)[O-] 38f7156758200afb616318b25417a97e [0,1,0,0,0,0|2,0,1]=4 3235 B12R0.268 C=C(C)CCOCCCNC(=O)C c3e4f05d2e9136439d2525b89df35339 [0,1,0,0,0,0|3,0,0]=4 3236 B12R0.268 C=C(C)CCOCCCOC(=O)C dfffd795e93f2e7c2988c0b5a502af6d [0,1,0,0,0,0|3,0,0]=4 3237 B12R0.268 C=C(C)CCOCCCSC(=O)C 70a543f5c389187f14ed62005cd98543 [0,1,0,0,0,0|3,0,0]=4 3238 B12R0.268 C=C(C)CCOCCOCC(=O)N 19b66b37e8bc399b70c22a0cee4c0da0 [0,1,0,0,0,0|3,0,0]=4 3239 B12R0.268 C=C(C)CCOCCOCC(=O)O ac3ef9d99e11997edeede95591b94174 [0,1,0,0,0,0|2,0,0]=3 3240 B12R0.268 C=C(C)CCOCCSCC(=O)N fb23a0fc041f9c67ea86fd041300f682 [0,1,0,0,0,0|3,0,0]=4 3241 B12R0.268 C=C(C)CNCCCCCC(=O)C 3574e0f4992fa12bc78d4dc048562256 [0,1,0,0,0,0|2,0,0]=3 3242 B12R0.268 C=C(C)CNCCCCCC(=O)N ceaaa1663f7fc7f5e4e1efcf7fc0a1de [0,1,0,0,0,0|2,0,0]=3 3243 B12R0.268 C=C(C)CNCCCCCC(=O)O 7a418fd2fddc505cf63d93d5fba69484 [0,1,0,0,0,0|1,0,0]=2 3244 B12R0.268 C=C(C)CNCCCCNC(=O)C 4711abe740084c5f8f9bb7f7a14b43df [0,1,0,0,0,0|3,0,0]=4 3245 B12R0.268 C=C(C)CNCCCCOC(=O)C db64adde7075714b7f43d874a8a300ee [0,1,0,0,0,0|3,0,0]=4 3246 B12R0.268 C=C(C)CNCCCCSC(=O)C 5cdeefc0d894227889d9583d4641d053 [0,1,0,0,0,0|3,0,0]=4 3247 B12R0.268 C=C(C)CNCCCOCC(=O)O 01e060a807fe27f54bc132c29d92b5a7 [0,1,0,0,0,0|2,0,0]=3 3248 B12R0.268 C=C(C)CNCCOCCC(=O)O 42cf4cefd9cad53655e2a6e1bbb93651 [0,1,0,0,0,0|2,0,0]=3 3249 B12R0.268 C=C(C)COCCCCCC(=O)C 9e1924a2cd96a45e4a064245b4115c78 [0,1,0,0,0,0|2,0,0]=3 3250 B12R0.268 C=C(C)COCCCCCC(=O)N 942e71901df205e9398d4cfca28e6d10 [0,1,0,0,0,0|2,0,0]=3 3251 B12R0.268 C=C(C)COCCCCCC(=O)O d4fb1ea6b17e80fa648e5f43ad7e3145 [0,1,0,0,0,0|1,0,0]=2 3252 B12R0.268 C=C(C)COCCCCOC(=O)C f77518d6c2c6091faa21108fd9faca00 [0,1,0,0,0,0|3,0,0]=4 3253 B12R0.268 C=C(C)COCCCCSC(=O)C 82bbb96fc02247e01e4c72cf7e09fcd4 [0,1,0,0,0,0|3,0,0]=4 3254 B12R0.268 C=C(C)COCCCOCC(=O)O 9156e1a9c641b3fd4b25baec6dd74490 [0,1,0,0,0,0|2,0,0]=3 3255 B12R0.268 C=C(C)COCCOCCC(=O)C c16711570c0b235d95adba5dd07ee434 [0,1,0,0,0,0|3,0,0]=4 3256 B12R0.268 C=C(C)COCCOCCC(=O)N 2717183f7752b1a0bfabeec14ebff064 [0,1,0,0,0,0|3,0,0]=4 3257 B12R0.268 C=C(C)COCCOCCC(=O)O 94b177696a6318b5ddc52f85b926c72b [0,1,0,0,0,0|2,0,0]=3 3258 B12R0.268 C=C(Cl)CNCCCCCC(=O)N df1865f32d949e15ccfd660d5c8814db [0,1,0,0,0,0|2,0,0]=3 3259 B12R0.268 C=C(Cl)CNCCCCCC(=O)O a639cb8d0c25a313f5bc613139d0fbdf [0,1,0,0,0,0|1,0,0]=2 3260 B12R0.268 C=C(Cl)CNCCCCNC(=O)C 5f3490131ca0a7f810f6ca24a783b778 [0,1,0,0,0,0|3,0,0]=4 3261 B12R0.268 C=C(Cl)CNCCOCCC(=O)O c62023f12b7d58999124898daaab2882 [0,1,0,0,0,0|2,0,0]=3 3262 B12R0.268 C=C(Cl)COCCCCCC(=O)C d96542dd114d6f7d4aebd20270df66d7 [0,1,0,0,0,0|2,0,0]=3 3263 B12R0.268 C=C(Cl)COCCCCCC(=O)N 26c261f0ddcc8e277cf842daa3dca87f [0,1,0,0,0,0|2,0,0]=3 3264 B12R0.268 C=C(Cl)COCCCCCC(=O)O 67e6cd941145f50aa8d802c8b2ff77dc [0,1,0,0,0,0|1,0,0]=2 3265 B12R0.268 C=C(Cl)COCCCCOC(=O)C b242ff8024b7613d59c5fc7727348b32 [0,1,0,0,0,0|3,0,0]=4 3266 B12R0.268 C=C(Cl)COCCCCSC(=O)C 4bee01a06eb9690ee9a074cd2ad4d9b7 [0,1,0,0,0,0|3,0,0]=4 3267 B12R0.268 C=C(Cl)COCCCOCC(=O)O d5d9be93f46ca426b6ddf6003cf85c95 [0,1,0,0,0,0|2,0,0]=3 3268 B12R0.268 C=C(Cl)COCCOCCC(=O)O 641f385ebb7c81bf6beb14376679116d [0,1,0,0,0,0|2,0,0]=3 3269 B12R0.268 C=C(F)CNCCCCCC(=O)N d9cc7b0f296b3c5f10b88fd9290983d4 [0,1,0,0,0,0|2,0,0]=3 3270 B12R0.268 C=C(F)CNCCCCCC(=O)O 8e7fc7d4b36885a3dd8eb1ab87bef755 [0,1,0,0,0,0|1,0,0]=2 3271 B12R0.268 C=C(F)CNCCCCNC(=O)C 2287bd30719fed256b916085af90462c [0,1,0,0,0,0|3,0,0]=4 3272 B12R0.268 C=C(F)CNCCOCCC(=O)O f0967e4dcf593aefc9659b80dbd45fe8 [0,1,0,0,0,0|2,0,0]=3 3273 B12R0.268 C=C(F)COCCCCCC(=O)C b37a8b78d844e3535276b89443ef058f [0,1,0,0,0,0|2,0,0]=3 3274 B12R0.268 C=C(F)COCCCCCC(=O)N d78833db9e3c60f8fb101aecfbef73bd [0,1,0,0,0,0|2,0,0]=3 3275 B12R0.268 C=C(F)COCCCCCC(=O)O 64593c933100ae0cd7b2adf71ccfb43e [0,1,0,0,0,0|1,0,0]=2 3276 B12R0.268 C=C(F)COCCCCOC(=O)C 1b8d3b9968111a101d912b6998822535 [0,1,0,0,0,0|3,0,0]=4 3277 B12R0.268 C=C(F)COCCCCSC(=O)C 232cedc4438a72bc91b94a855e95417a [0,1,0,0,0,0|3,0,0]=4 3278 B12R0.268 C=C(F)COCCOCCC(=O)O 46b5d5dbe7519bfb2e6fd2f1bbf83e1d [0,1,0,0,0,0|2,0,0]=3 3279 B12R0.268 C=C(I)COCCCCCC(=O)C 9ec32429dc002ec4bb6ccd244048c772 [0,1,0,0,0,0|2,0,0]=3 3280 B12R0.268 C=C(I)COCCCCCC(=O)N da0050578ad3877c2cf81dab0994e225 [0,1,0,0,0,0|2,0,0]=3 3281 B12R0.268 C=C(I)COCCCCOC(=O)C c577f116a691b8cfa43cbf1bb88d2c2f [0,1,0,0,0,0|3,0,0]=4 3282 B12R0.268 C=C(I)COCCCCSC(=O)C 76947a1461d936c232fc95191af9468f [0,1,0,0,0,0|3,0,0]=4 3283 B12R0.268 C=C(I)COCCCOCC(=O)O 61d58a678f1a28e29bb2ab7dab968e53 [0,1,0,0,0,0|2,0,0]=3 3284 B12R0.268 C=C(I)COCCOCCC(=O)O da5fd9e1234bb193d2cd70a12e9646f0 [0,1,0,0,0,0|2,0,0]=3 3285 B12R0.268 CC(=CCCNCCCC(=O)O)C 398d584b6eae4558dc649076cd6f418a [0,1,0,0,0,0|1,0,2]=4 3286 B12R0.268 CC(=CCNCCCCC(=O)O)C cb3cff8e59e06de1e3564e84bedaadc8 [0,1,0,0,0,0|1,0,2]=4 3287 B12R0.268 CC(=CCNCCCCC(=O)O)Cl c5e2c976e20477af98a2d2e9fa0b6799 [0,1,0,0,0,0|1,0,2]=4 3288 B12R0.268 CC(=CCNCCCCC(=O)O)I b4e9778bcdb74302e457f6d9eb0067be [0,1,0,0,0,0|1,0,2]=4 3289 B12R0.268 CC(=CCOCCCCC(=O)O)C 3759a97d6f78b9d66968b322d015e287 [0,1,0,0,0,0|1,0,2]=4 3290 B12R0.268 CC(=CCOCCCCC(=O)O)Cl 67f41ade16780a27b5099132bd954034 [0,1,0,0,0,0|1,0,2]=4 3291 B12R0.268 CC(=CCOCCCCC(=O)O)I 3496177db22dd77104e60d240f0117b3 [0,1,0,0,0,0|1,0,2]=4 3292 B12R0.268 CC(=O)CCCCCNCC(=O)C 9df827ef1c84d1233cb267dc17f17f1d [0,1,0,0,0,0|2,0,1]=4 3293 B12R0.268 CC(=O)CCCCCNCC(=O)N a1a508c702701485acdfec6566b9cc16 [0,1,0,0,0,0|2,0,1]=4 3294 B12R0.268 CC(=O)CCCCCNCC(=O)O 9a0ebb4b63cd453453f7b519e9658694 [0,1,0,0,0,0|1,0,1]=3 3295 B12R0.268 CC(=O)CCCCCOCC(=O)C 6c9bee9c3d8efbbaf77cf8e6ab4f7ccb [0,1,0,0,0,0|2,0,1]=4 3296 B12R0.268 CC(=O)CCCCCOCC(=O)N dff75d42fb9b071a8653809e27da008b [0,1,0,0,0,0|2,0,1]=4 3297 B12R0.268 CC(=O)CCCCCOCC(=O)O 381cf657d4aa7350e8475745af444e27 [0,1,0,0,0,0|1,0,1]=3 3298 B12R0.268 CC(=O)CCCCCOCC(=S)N bee380fc3fa3e3420d96141311ccb169 [0,1,0,0,0,0|3,0,0]=4 3299 B12R0.268 CC(=O)CCCCCOCS(=O)O 72b51b0ecb559757a7c05d0c6c36ad6a [0,1,0,0,0,0|2,0,1]=4 3300 B12R0.268 CC(=O)CCCCNCCC(=O)N b0003e2e23d2acd7cab4877fdff53020 [0,1,0,0,0,0|2,0,1]=4 3301 B12R0.268 CC(=O)CCCCNCCC(=O)O d81df5288f44dcee44add9323f82b9fe [0,1,0,0,0,0|1,0,1]=3 3302 B12R0.268 CC(=O)CCCCNCCC(=S)N b6bcfac2bc0bc251eae53184cbea384f [0,1,0,0,0,0|3,0,0]=4 3303 B12R0.268 CC(=O)CCCCNCCS(=O)O 183ac675a5e1066707ef94bc60239d9b [0,1,0,0,0,0|2,0,1]=4 3304 B12R0.268 CC(=O)CCCCOCCC(=O)C 9e37a90c6100cf1efa019280a51a34d3 [0,1,0,0,0,0|2,0,1]=4 3305 B12R0.268 CC(=O)CCCCOCCC(=O)N 610c2a750a3a5fef70d643f57ae70c4d [0,1,0,0,0,0|2,0,1]=4 3306 B12R0.268 CC(=O)CCCCOCCC(=O)O 127094051a9d61c711b08390002b38e2 [0,1,0,0,0,0|1,0,1]=3 3307 B12R0.268 CC(=O)CCCNCCCC(=O)N eb4bf25fda6b6a11099e82f764dab61a [0,1,0,0,0,0|2,0,1]=4 3308 B12R0.268 CC(=O)CCCNCCCC(=O)O e96791c248b5ecbf24c23e19166f2d39 [0,1,0,0,0,0|1,0,1]=3 3309 B12R0.268 CC(=O)CCCOCCCC(=O)C d9cc4712522fc03f3dd588a11965b773 [0,1,0,0,0,0|2,0,1]=4 3310 B12R0.268 CC(=O)CCCOCCCC(=O)N 4c2f0798340a7ce30e403d7e9d4fa237 [0,1,0,0,0,0|2,0,1]=4 3311 B12R0.268 CC(=O)CCNCCCCC(=O)N 9695db005db5a6494de12c16162ed097 [0,1,0,0,0,0|2,0,1]=4 3312 B12R0.268 CC(=O)CCNCCCCC(=O)O 9acb4ce8240698950de5869fc11dc897 [0,1,0,0,0,0|1,0,1]=3 3313 B12R0.268 CC(=O)CCNCCOCC(=O)O 44f43c317e2d6057d4f71c9350349592 [0,1,0,0,0,0|2,0,1]=4 3314 B12R0.268 CC(=O)CCNCCSCC(=O)O 51448d7c9c5838675c25915a9931238a [0,1,0,0,0,0|2,0,1]=4 3315 B12R0.268 CC(=O)CCOCCCCC(=O)N 6decc7c6caba9a28e16f7aa35ed2aa96 [0,1,0,0,0,0|2,0,1]=4 3316 B12R0.268 CC(=O)CCOCCCCC(=O)O 296e87be67b3fc8e7ea7ad204455602a [0,1,0,0,0,0|1,0,1]=3 3317 B12R0.268 CC(=O)CCOCCOCC(=O)O 1e21547c57e265cb4ad1b0bad8f9874b [0,1,0,0,0,0|2,0,1]=4 3318 B12R0.268 CC(=O)CNCCCCCC(=O)N 200abafcb520b10146a4cbf60a0ede2c [0,1,0,0,0,0|2,0,1]=4 3319 B12R0.268 CC(=O)CNCCCOCC(=O)O 858257665727401bc29f451a2506f59c [0,1,0,0,0,0|2,0,1]=4 3320 B12R0.268 CC(=O)CNCCOCCC(=O)O bc21cd86b574c057d05524813712f07a [0,1,0,0,0,0|2,0,1]=4 3321 B12R0.268 CC(=O)COCCCCCC(=O)N 304497a5198bc3eccb1ad30e0677fef6 [0,1,0,0,0,0|2,0,1]=4 3322 B12R0.268 CC(=O)COCCCOCC(=O)O 3179224c95c4fb0b5f59eac5c33622b2 [0,1,0,0,0,0|2,0,1]=4 3323 B12R0.268 CC(=O)COCCOCCC(=O)O 8ca4c9c5870d924949cbca252ed46a8e [0,1,0,0,0,0|2,0,1]=4 3324 B12R0.268 CC(=O)NCCCCNCC(=O)O 0f74f6703761a2c3fbe726903ec2c8cc [0,1,0,0,0,0|2,0,1]=4 3325 B12R0.268 CC(=O)NCCCNCCC(=O)O 912506dc0dc41fc55880f6303f17352c [0,1,0,0,0,0|2,0,1]=4 3326 B12R0.268 CC(=O)NCCCOCCC(=O)O 68102b687d5563ef8c4dbb09a149660c [0,1,0,0,0,0|2,0,1]=4 3327 B12R0.268 CC(=O)NCCNCCCC(=O)O fff5659c3fb9514ce6bae702e0d11af7 [0,1,0,0,0,0|2,0,1]=4 3328 B12R0.268 CC(=O)NCOCCCCC(=O)O 5dabbd868bae50cfc8de1f589142652a [0,1,0,0,0,0|2,0,1]=4 3329 B12R0.268 CC(=O)OCCCCNCC(=O)O c1faf6edb56e9bd89394924be6d52132 [0,1,0,0,0,0|2,0,1]=4 3330 B12R0.268 CC(=O)OCCCCOCC(=O)O 96c23f283c37096e1a978ccee6a0d65e [0,1,0,0,0,0|2,0,1]=4 3331 B12R0.268 CC(=O)OCCCNCCC(=O)O 6096823a559cfe462884fe7422ffcc85 [0,1,0,0,0,0|2,0,1]=4 3332 B12R0.268 CC(=O)OCCCOCCC(=O)O feb3675836da5b60e8307190789a90d0 [0,1,0,0,0,0|2,0,1]=4 3333 B12R0.268 CC(=O)OCCNCCCC(=O)O c4e4a63a59efc40114dd786b7dd13698 [0,1,0,0,0,0|2,0,1]=4 3334 B12R0.268 CC(=O)OCCOCCCC(=O)O 7d92b45e1853f87f49dcc69314d012d0 [0,1,0,0,0,0|2,0,1]=4 3335 B12R0.268 CC(=O)OCNCCCCC(=O)O 57d9144a18a37ae656485a277f375e4d [0,1,0,0,0,0|2,0,1]=4 3336 B12R0.268 CC(=O)OCOCCCCC(=O)O 2e1755233af8d99ba411ed92834795b9 [0,1,0,0,0,0|2,0,1]=4 3337 B12R0.268 CC(=O)SCCCCNCC(=O)O f04edff5393aa2fc4471967b62c69759 [0,1,0,0,0,0|2,0,1]=4 3338 B12R0.268 CC(=O)SCCCCOCC(=O)O 6583f73f7babb4518f3253d7f65acb78 [0,1,0,0,0,0|2,0,1]=4 3339 B12R0.268 CC(=O)SCCCNCCC(=O)O 99184051885e0d2e1f9f4a4d487ecefe [0,1,0,0,0,0|2,0,1]=4 3340 B12R0.268 CC(=O)SCCCOCCC(=O)O 5f24f42f8dbe9e6def24f5bac5ac2726 [0,1,0,0,0,0|2,0,1]=4 3341 B12R0.268 CC(=O)SCCNCCCC(=O)O 1db923fd72a703dfffe5b757d59db6b8 [0,1,0,0,0,0|2,0,1]=4 3342 B12R0.268 CC(=S)OCCCNCCC(=O)O 91c3f830da9243f3de04197e47240e30 [0,1,0,0,0,0|2,0,1]=4 3343 B12R0.268 CC(=S)OCCCOCCC(=O)O 0794d034d9be0ffe56ab6cb9cbd24d46 [0,1,0,0,0,0|2,0,1]=4 3344 B12R0.268 CC(C)CCCCCNCC(=O)O bc1e72eb6cd8a0a88440d6aab5dfc8c4 [0,1,0,0,0,0|1,0,2]=4 3345 B12R0.268 CC(C)CCCCCOCC(=O)O ad5b528a5f39e66824c6882877801d6d [0,1,0,0,0,0|1,0,2]=4 3346 B12R0.268 CC(C)CCCCNCCC(=O)O 6f9b0e5dbba9eb2b66a4135799fd5727 [0,1,0,0,0,0|1,0,2]=4 3347 B12R0.268 CC(C)CCCCOCCC(=O)O eb4b6a5d6c58fa91464161fa5217a654 [0,1,0,0,0,0|1,0,2]=4 3348 B12R0.268 CC(C)CCCNCCCC(=O)O d53bbc48af8962d41c40e02914ec4a3c [0,1,0,0,0,0|1,0,2]=4 3349 B12R0.268 CC(C)CCNCCCCC(=O)O b00c47ec3791b0904d76bf6e85ff2c88 [0,1,0,0,0,0|1,0,2]=4 3350 B12R0.268 CC(C)CCOCCCCC(=O)O 3ae9c5d31d01bc421d73e55604a98e93 [0,1,0,0,0,0|1,0,2]=4 3351 B12R0.268 CC(C)CNCCCCCC(=O)O 82ae2bb3033420f8e0fe10ffbe7afe0a [0,1,0,0,0,0|1,0,2]=4 3352 B12R0.268 CC(C)COCCCCCC(=O)O a9671be5780033acdb72d3d5fb13d61d [0,1,0,0,0,0|1,0,2]=4 3353 B12R0.268 CC(C)NCCCCCCC(=O)O 23aae92806f6b4ef29fa0844f7b2d02b [0,1,0,0,0,0|1,0,2]=4 3354 B12R0.268 CC(C)OCCCCCCC(=O)O 97d8bafef78d17118fcd21444e2b7046 [0,1,0,0,0,0|1,0,2]=4 3355 B12R0.268 CC(O)CCCCNCCC(=O)O 5c2365ddb948ecd957dd41a6dda4cd9f [0,1,0,0,0,0|1,0,2]=4 3356 B12R0.268 CC(O)CCCNCCCC(=O)O c3136a8e1c16bef3b091a09bf5614109 [0,1,0,0,0,0|1,0,2]=4 3357 B12R0.268 CC(O)CCNCCCCC(=O)O aaa0af2603bb1890250e5799e0fc3d68 [0,1,0,0,0,0|1,0,2]=4 3358 B12R0.268 CC(O)CNCCCCCC(=O)O fea82d849942b8001a98607fcfdf8592 [0,1,0,0,0,0|1,0,2]=4 3359 B12R0.268 CN(C)CCCCCNCC(=O)O 39fabaf68126fb3d48872a243844975d [0,1,0,0,0,0|2,0,1]=4 3360 B12R0.268 CN(C)CCCCCOCC(=O)O e2568145e4f4f89cab11f983486a4e32 [0,1,0,0,0,0|2,0,1]=4 3361 B12R0.268 CN(C)CCCCNCCC(=O)O 19ca5f75dc0b17510db9f42fc6e708d6 [0,1,0,0,0,0|2,0,1]=4 3362 B12R0.268 CN(C)CCCCOCCC(=O)O 884f09f35ade4d5b00ff0ca246939976 [0,1,0,0,0,0|2,0,1]=4 3363 B12R0.268 CN(C)CCCNCCCC(=O)O fcacbb26654fd2dc25117642d327501c [0,1,0,0,0,0|2,0,1]=4 3364 B12R0.268 CN(C)CCCOCCCC(=O)O ea50da235abd1b9042db59bf75ed455f [0,1,0,0,0,0|2,0,1]=4 3365 B12R0.268 CN(C)CCNCCCCC(=O)O 24f28a32221a8a7b5df2b45492f939f7 [0,1,0,0,0,0|2,0,1]=4 3366 B12R0.268 CN(C)CCOCCCCC(=O)O 600906eb06da616665ffe3f4c65e054f [0,1,0,0,0,0|2,0,1]=4 3367 B12R0.268 CN(C)CNCCCCCC(=O)O c5e53d0e369fd3ab0c9c5013ca248d4c [0,1,0,0,0,0|2,0,1]=4 3368 B12R0.268 CN(C)COCCCCCC(=O)O c977467f2188184162a964f8758957c1 [0,1,0,0,0,0|2,0,1]=4 3369 B12R0.268 CS(=O)CCNCCCCC(=O)O a06037ace62be0be241edfdbb47452ab [0,1,0,0,0,0|2,0,1]=4 3370 B12R0.268 CS(=O)CCOCCCCC(=O)O eae54fc6d9293a417846bf5caa7a51e1 [0,1,0,0,0,0|2,0,1]=4 3371 B12R0.268 C[C@@H](O)CCCCNCCC(=O)O e56590d53223ed224c1150eed53028bb [0,1,0,0,0,0|1,0,2]=4 3372 B12R0.268 C[C@@H](O)CCNCCCCC(=O)O 630d478bfcd24b7e330127ab6b0b7b00 [0,1,0,0,0,0|1,0,2]=4 3373 B12R0.268 C[C@@H](O)CNCCCCCC(=O)O b3b17421345c7969104039a219a6f0c2 [0,1,0,0,0,0|1,0,2]=4 3374 B12R0.268 C[C@H](O)CCNCCCCC(=O)O 95f01436583f248ee59b7b0dd120c8f6 [0,1,0,0,0,0|1,0,2]=4 3375 B12R0.268 C[C@H](O)CNCCCCCC(=O)O 09705aaad427fbb5507a5d3bd5d06959 [0,1,0,0,0,0|1,0,2]=4 3376 B12R0.268 NC(=O)CCCCCNCC(=O)N 4834ca87ae15848627115b960e4a493b [0,1,0,0,0,0|3,0,0]=4 3377 B12R0.268 NC(=O)CCCCCNCC(=O)O 2c4a58674fe84905499731fa6b2632b8 [0,1,0,0,0,0|2,0,0]=3 3378 B12R0.268 NC(=O)CCCCCOCC(=O)N 531dcff33f724463445b1d55685eca24 [0,1,0,0,0,0|3,0,0]=4 3379 B12R0.268 NC(=O)CCCCCOCC(=O)O 0d991ef18ae89f3e03966676e0655026 [0,1,0,0,0,0|2,0,0]=3 3380 B12R0.268 NC(=O)CCCCCOCC(=S)N 7d91f7645298da6c60926d6c9573ec1b [0,1,0,0,0,0|3,0,0]=4 3381 B12R0.268 NC(=O)CCCCCOCS(=O)O cc461cb087ac1e8607782c41121991fb [0,1,0,0,0,0|3,0,0]=4 3382 B12R0.268 NC(=O)CCCCNCCC(=O)N 900e747b2e6b108bae810381ef29f2a6 [0,1,0,0,0,0|3,0,0]=4 3383 B12R0.268 NC(=O)CCCCNCCC(=O)O 80d33d38729a3a046d4f8be5b1e49acb [0,1,0,0,0,0|2,0,0]=3 3384 B12R0.268 NC(=O)CCCCNCCC(=S)N b5b09ac7322163bec7acdbd35c70fb29 [0,1,0,0,0,0|3,0,0]=4 3385 B12R0.268 NC(=O)CCCCNCCS(=O)O f40788748cd707053b03cb118b2efa66 [0,1,0,0,0,0|3,0,0]=4 3386 B12R0.268 NC(=O)CCCCOCCC(=O)N e752ad5166a39b4912a38105bf9bcc1b [0,1,0,0,0,0|3,0,0]=4 3387 B12R0.268 NC(=O)CCCCOCCC(=O)O 29297f440afb9bb292135a5738540149 [0,1,0,0,0,0|2,0,0]=3 3388 B12R0.268 NC(=O)CCCNCCCC(=O)N 2a8a71bd8ce09b4c580be7f316c9d9c1 [0,1,0,0,0,0|3,0,0]=4 3389 B12R0.268 NC(=O)CCCNCCCC(=O)O e8ff83120d19d54902ad80d748b67c75 [0,1,0,0,0,0|2,0,0]=3 3390 B12R0.268 NC(=O)CCCOCCCC(=O)N 3b9b7f5247fe97585c4663e1f290c8dd [0,1,0,0,0,0|3,0,0]=4 3391 B12R0.268 NC(=O)CCNCCCCC(=O)O d7860cd8031b205bf576cb16538cb8f0 [0,1,0,0,0,0|2,0,0]=3 3392 B12R0.268 NC(=O)CCNCCOCC(=O)O 16c1971cce181e81b5e3b282590e092a [0,1,0,0,0,0|3,0,0]=4 3393 B12R0.268 NC(=O)CCNCCSCC(=O)O 90aa3d036b752e9bc5673897dd96205a [0,1,0,0,0,0|3,0,0]=4 3394 B12R0.268 NC(=O)CCOCCCCC(=O)O 85ca2101b24a6204fb89f369f3a3fc28 [0,1,0,0,0,0|2,0,0]=3 3395 B12R0.268 NC(=O)CCOCCOCC(=O)O 37c108b6b355214e53217714b0d5eb9f [0,1,0,0,0,0|3,0,0]=4 3396 B12R0.268 NC(=O)CNCCCCCC(=O)O cc2ed4c935967300ea90821e39c8ae6f [0,1,0,0,0,0|2,0,0]=3 3397 B12R0.268 NC(=O)CNCCCOCC(=O)O 752e6dd24add5cedcd290c9d865f272b [0,1,0,0,0,0|3,0,0]=4 3398 B12R0.268 NC(=O)CNCCOCCC(=O)O 8acbe61cc972e692ab5bf4c4f417e09a [0,1,0,0,0,0|3,0,0]=4 3399 B12R0.268 NC(=O)COCCCCCC(=O)O 005133a534b24e6a8f823a8643c8e09d [0,1,0,0,0,0|2,0,0]=3 3400 B12R0.268 NC(=O)COCCCOCC(=O)O 96216bcb5b88ccd56dd525517d3e94b5 [0,1,0,0,0,0|3,0,0]=4 3401 B12R0.268 NC(=O)COCCNCCC(=O)O 3ff7e00079090d6dcf32a83bab9dd234 [0,1,0,0,0,0|3,0,0]=4 3402 B12R0.268 NC(=O)COCCOCCC(=O)O fc7ac76542a59f70b40c48eec402dcda [0,1,0,0,0,0|3,0,0]=4 3403 B12R0.268 NC(=O)CSCCOCCC(=O)O 86b8e61f1cb06f91725e58df9bdf9927 [0,1,0,0,0,0|3,0,0]=4 3404 B12R0.268 NC(=O)NCCNCCCC(=O)O 4f37e3c73b42cb37d6282b59a952bc9f [0,1,0,0,0,0|3,0,0]=4 3405 B12R0.268 NC(=O)NCOCCCCC(=O)O c1c6b3f3c692e045a7a6fdaf2673b1ef [0,1,0,0,0,0|3,0,0]=4 3406 B12R0.268 NC(=S)CCNCCCCC(=O)O 53f007edb5f09833f5ea6b30fc840090 [0,1,0,0,0,0|2,0,0]=3 3407 B12R0.268 NC(=S)CCNCCOCC(=O)O 5ac623ce9e942fbbea032578f055e05e [0,1,0,0,0,0|3,0,0]=4 3408 B12R0.268 NC(=S)COCCCOCC(=O)O b2392f5db9f8d401dd4c53b423e56dc0 [0,1,0,0,0,0|3,0,0]=4 3409 B12R0.268 NC(=S)COCCOCCC(=O)O 51b03cd51e4e87ea0cd3524465da6693 [0,1,0,0,0,0|3,0,0]=4 3410 B12R0.268 NC(=S)NCCNCCCC(=O)O bedc19f849a340345399a41cbfa154ff [0,1,0,0,0,0|3,0,0]=4 3411 B12R0.268 NC(=S)NCCOCCCC(=O)O ab096cfe7db615c2279a1606c281eb10 [0,1,0,0,0,0|3,0,0]=4 3412 B12R0.268 O=C(O)CCCCCNCC(=O)O 04cfb6b4d5ccdcab7965137cc154b40b [0,1,0,0,0,0|2,0,0]=3 3413 B12R0.268 O=C(O)CCCCCNCC(F)F c9e3b52ccf117845a1ffeb0dd529d5d8 [0,1,0,0,0,0|2,0,1]=4 3414 B12R0.268 O=C(O)CCCCCNC[N+](=O)[O-] b3e1db87895ef549fec3ad4be9003d54 [0,1,0,0,0,0|3,0,0]=4 3415 B12R0.268 O=C(O)CCCCCOCC(=O)O b0bbb87cb2a621afd3586b8293fe15c0 [0,1,0,0,0,0|2,0,0]=3 3416 B12R0.268 O=C(O)CCCCCOCC(F)F 44277878f5d0952874d6726c28765715 [0,1,0,0,0,0|2,0,1]=4 3417 B12R0.268 O=C(O)CCCCCOC[N+](=O)[O-] c66231f24ba5c915af53d376740042fe [0,1,0,0,0,0|3,0,0]=4 3418 B12R0.268 O=C(O)CCCCNCC=C(Cl)Cl 55dd36331375f8d30ff0ea5f5fb081c0 [0,1,0,0,0,0|2,0,1]=4 3419 B12R0.268 O=C(O)CCCCNCCC(=O)O 0a403cf861c780cd6fbcf7eaba8876c2 [0,1,0,0,0,0|2,0,0]=3 3420 B12R0.268 O=C(O)CCCCNCCC(F)F 9e18ae80368a67becc51b4e35061e0a2 [0,1,0,0,0,0|2,0,1]=4 3421 B12R0.268 O=C(O)CCCCOCC=C(Cl)Cl aceb0939fb15c2c762b52845612ad5ed [0,1,0,0,0,0|2,0,1]=4 3422 B12R0.268 O=C(O)CCCCOCCC(=O)O 7237591a41e71dad409bd53013654b1d [0,1,0,0,0,0|2,0,0]=3 3423 B12R0.268 O=C(O)CCCCOCCC(F)F 5dea47764c77cf57085670c58017672b [0,1,0,0,0,0|2,0,1]=4 3424 B12R0.268 O=C(O)CCCCOCC[N+](=O)[O-] 21bbfd2387e5fbf9df32ffe42cb7629a [0,1,0,0,0,0|3,0,0]=4 3425 B12R0.268 O=C(O)CCCNCCC=C(F)F 3f91ad425a129c46babec89a8eaaf086 [0,1,0,0,0,0|2,0,1]=4 3426 B12R0.268 O=C(O)CCNCCCCC(F)F c970c9f8d09c9db1c95802f82483821d [0,1,0,0,0,0|2,0,1]=4 3427 B12R0.268 O=C(O)CCNCCOCC(=O)O 7dffdb45b5f0c84afa4bdefcc9d8d156 [0,1,0,0,0,0|3,0,0]=4 3428 B12R0.268 O=C(O)CCNCCSCC(=O)O 13960084ee1b250a364d46f622400d99 [0,1,0,0,0,0|3,0,0]=4 3429 B12R0.268 O=C(O)CCOCCCC[N+](=O)[O-] c8d194b4426106b45ad13de8b15256ea [0,1,0,0,0,0|3,0,0]=4 3430 B12R0.268 O=C(O)CCOCCNCC(=O)O fe5b47e311156cfe629885ce49ab8a1b [0,1,0,0,0,0|3,0,0]=4 3431 B12R0.268 O=C(O)CCOCCOCC(=O)O e4c764d78d27c8be6c76b21b4ab34bcb [0,1,0,0,0,0|3,0,0]=4 3432 B12R0.268 O=C(O)CNCCCCCC(F)F a5c796b76745ae3b6b9a9aabf2ce3952 [0,1,0,0,0,0|2,0,1]=4 3433 B12R0.268 O=C(O)CNCCCOCC(=O)O d64de3ea8207c6934f4dbce34826e6c9 [0,1,0,0,0,0|3,0,0]=4 3434 B12R0.268 O=C(O)COCCCCCC(F)F 7757df8d3eb27084a8f126159256d096 [0,1,0,0,0,0|2,0,1]=4 3435 B12R0.268 O=C(O)COCCCOCC(=O)O ee3c65cdc12c5428146ab9316ad9c228 [0,1,0,0,0,0|3,0,0]=4 3436 B12R0.277 C/C=C/C(C)OCCCCC(=O)O ca27cf5b2ee2e5cf1e4c21ece59648a2 [0,1,0,0,0,0|1,0,2]=4 3437 B12R0.277 C=CCC(=O)NCCCCC(=O)N 9a3469b6db87ed3c466646e838e1ddff [0,1,0,0,0,0|2,0,1]=4 3438 B12R0.277 C=CCC(C)CNC/C=C/C(=O)O 43ec44eb85522acbad32b4a17b3b2238 [0,1,0,0,0,0|1,0,2]=4 3439 B12R0.277 C=CCC(C)CNCC#CC(=O)O 3eb1c235f302d564a8c359bd6658daac [0,1,0,0,0,0|1,0,2]=4 3440 B12R0.277 C=CCC(C)CNCC=CC(=O)O 9e3866e14f37339cc8fcee1d20a8020f [0,1,0,0,0,0|1,0,2]=4 3441 B12R0.277 C=CCC(C)CNCCCC(=O)N 1202f5092b4ec5f534c0034055927cb4 [0,1,0,0,0,0|2,0,0]=3 3442 B12R0.277 C=CCC(C)CNCCCC(=O)O 03dee889bd743113ef4f6dc0a568c1fe [0,1,0,0,0,0|1,0,0]=2 3443 B12R0.277 C=CCC(C)CNCCCS(=O)C 44b440b4fd717d49e71bf7e96a3aa1a8 [0,1,0,0,0,0|3,0,0]=4 3444 B12R0.277 C=CCC(C)CNCCNC(=O)C a42a03b233a4cdbf7b56f87aeab8beb3 [0,1,0,0,0,0|3,0,0]=4 3445 B12R0.277 C=CCC(C)COC/C=C/C(=O)O b135ec78a97c875f7c55756584520647 [0,1,0,0,0,0|1,0,2]=4 3446 B12R0.277 C=CCC(C)COCC#CC(=O)O 6ab05cdfbaeb24ff59f809df9cc54fe5 [0,1,0,0,0,0|1,0,2]=4 3447 B12R0.277 C=CCC(C)COCC=CC(=O)O 8dbc8b170d2285b6e339f87718db5024 [0,1,0,0,0,0|1,0,2]=4 3448 B12R0.277 C=CCC(C)COCCCC(=C)C b1fcdb48574494a6de51b697008bfcf1 [0,1,0,0,0,0|3,0,0]=4 3449 B12R0.277 C=CCC(C)COCCCC(=O)C 1df3914a8795b3b4cc44ddc4e88d6c3f [0,1,0,0,0,0|2,0,0]=3 3450 B12R0.277 C=CCC(C)COCCCC(=O)N 6707ff43ecbc29f74c032ec1c8a578aa [0,1,0,0,0,0|2,0,0]=3 3451 B12R0.277 C=CCC(C)COCCCC(=O)O b0837992b1b35463c1c483b8bf7491fd [0,1,0,0,0,0|1,0,0]=2 3452 B12R0.277 C=CCC(C)COCCC[N+](=O)[O-] 4d136576892c1220081e861aef775aa2 [0,1,0,0,0,0|2,0,1]=4 3453 B12R0.277 C=CCC(C)COCCNC(=O)C d57e80a630fdcd13f7b6473ee8e81e83 [0,1,0,0,0,0|3,0,0]=4 3454 B12R0.277 C=CCC(C)COCCNC(=O)N 41352332656c57b8bc2ababd243a4622 [0,1,0,0,0,0|3,0,0]=4 3455 B12R0.277 C=CCC(C)COCCOC(=O)C af171b2f1aa2087e4e3b949c973f5aeb [0,1,0,0,0,0|3,0,0]=4 3456 B12R0.277 C=CCC(C)COCCSC(=O)C d2a2724be90ba8f1fe687d16b1b51f8e [0,1,0,0,0,0|3,0,0]=4 3457 B12R0.277 C=CCC(C)OCCCCC(=O)C 393a86b582e0acf220e483e4062bf085 [0,1,0,0,0,0|2,0,0]=3 3458 B12R0.277 C=CCC(C)OCCCCC(=O)N 7b78641a8b86166a882d7497e047d085 [0,1,0,0,0,0|2,0,0]=3 3459 B12R0.277 C=CCC(C)OCCCNC(=O)C 31eaa088be62bcd4e2e963127cbddfcd [0,1,0,0,0,0|3,0,0]=4 3460 B12R0.277 C=CCC(C)OCCCOC(=O)C cc639e3a4ab754129b562b6adc15fa57 [0,1,0,0,0,0|3,0,0]=4 3461 B12R0.277 C=CCC(C)OCCCSC(=O)C c6a160161c010105b3c55b24545e5adf [0,1,0,0,0,0|3,0,0]=4 3462 B12R0.277 C=CCC(C)OCCOCC(=O)N a46acc1020b59677cf9218ca31c70c7b [0,1,0,0,0,0|3,0,0]=4 3463 B12R0.277 C=CCC(C)OCCOCC(=O)O 6e2b3c6b1f221fb8be1573dfa465362f [0,1,0,0,0,0|2,0,0]=3 3464 B12R0.277 C=CCC(O)CNC/C=C/C(=O)O 20a669a2a55532c975b73983f3cac644 [0,1,0,0,0,0|1,0,2]=4 3465 B12R0.277 C=CCC(O)CNCC=CC(=O)O 8bcb3646fe225758e47ae50fd4e3a05a [0,1,0,0,0,0|1,0,2]=4 3466 B12R0.277 C=CCC(O)CNCCCC(=C)C da0de87a9d11fbb10667b34849b40ae8 [0,1,0,0,0,0|3,0,0]=4 3467 B12R0.277 C=CCC(O)CNCCCC(=O)C dae284726b6a0b07f0384abd4a19363e [0,1,0,0,0,0|2,0,0]=3 3468 B12R0.277 C=CCC(O)CNCCCC(=O)N 353feb1d99cc35c7560717b44cc0b1df [0,1,0,0,0,0|2,0,0]=3 3469 B12R0.277 C=CCC(O)CNCCCC(=O)O f49b033974f5ba775b5d1e9c625f79fd [0,1,0,0,0,0|1,0,0]=2 3470 B12R0.277 C=CCC(O)CNCCCC(C)O deb7ba19249972ab40a5d36b4693455f [0,1,0,0,0,0|2,0,1]=4 3471 B12R0.277 C=CCC(O)CNCCC[N+](=O)[O-] e2432cfb5709c3aa5639f4490fe7b412 [0,1,0,0,0,0|2,0,1]=4 3472 B12R0.277 C=CCC(O)CNCCNC(=O)C 7c4205bb81d34524e6362dcbbfb4ec38 [0,1,0,0,0,0|3,0,0]=4 3473 B12R0.277 C=CCC(O)CNCCNC(=O)N 35678b5d2049fcab85faee5124596255 [0,1,0,0,0,0|3,0,0]=4 3474 B12R0.277 C=CCC(O)CNCCOC(=O)C 309da298807a87a4009156b9fe1c50f1 [0,1,0,0,0,0|3,0,0]=4 3475 B12R0.277 C=CCC(O)CNCCSC(=O)C 7edbf54eec9f0dd5ed87437827aa6ef2 [0,1,0,0,0,0|3,0,0]=4 3476 B12R0.277 C=CCN(C)CCCCCC(=O)C 34ed8579182f94d3fca42591df729a60 [0,1,0,0,0,0|2,0,0]=3 3477 B12R0.277 C=CCN(C)CCCCCC(=O)N 1ba466a83e95499e12ff0b8529dbb663 [0,1,0,0,0,0|2,0,0]=3 3478 B12R0.277 C=CCN(C)CCCCCC(=O)O 5c81b07d912d188e550677c3a5225b8c [0,1,0,0,0,0|1,0,0]=2 3479 B12R0.277 C=CCN(C)CCCCOC(=O)C 562b960ba1f4a2e33f1d30838be6308e [0,1,0,0,0,0|3,0,0]=4 3480 B12R0.277 C=CCN(C)CCCCSC(=O)C 44798975d05cde4a0d0cad7a4a3456c6 [0,1,0,0,0,0|3,0,0]=4 3481 B12R0.277 C=CCN(C)CCCOCC(=O)O 2480790ccac7b2125d2d2aaea706767f [0,1,0,0,0,0|2,0,0]=3 3482 B12R0.277 C=CCN(C)CCOCCC(=O)C 38c08331a2a2eb5bcbe0176b305ef305 [0,1,0,0,0,0|3,0,0]=4 3483 B12R0.277 C=CCN(C)CCOCCC(=O)N 1acb1a58621986eec57a844d36298115 [0,1,0,0,0,0|3,0,0]=4 3484 B12R0.277 C=CCN(C)CCOCCC(=O)O c50053c85e4614e0dc7a50e8b68f6f4d [0,1,0,0,0,0|2,0,0]=3 3485 B12R0.277 C=CC[C@@H](C)OCCCCC(=O)C 6e85d4b303cdfdf1f509b32058c00925 [0,1,0,0,0,0|2,0,0]=3 3486 B12R0.277 C=CC[C@@H](C)OCCCCC(=O)N 40d255f826d9e3cdc45cad71ddb81532 [0,1,0,0,0,0|2,0,0]=3 3487 B12R0.277 C=CC[C@@H](C)OCCCNC(=O)C 70210833bd506162e5eba4d41294cf27 [0,1,0,0,0,0|3,0,0]=4 3488 B12R0.277 C=CC[C@@H](C)OCCCOC(=O)C cba0d7c53c3207fede27ddd1e648292d [0,1,0,0,0,0|3,0,0]=4 3489 B12R0.277 C=CC[C@@H](C)OCCCSC(=O)C 66ae3480793e1349f02970735ccb8fe2 [0,1,0,0,0,0|3,0,0]=4 3490 B12R0.277 C=CC[C@@H](C)OCCOCC(=O)N 96d4b60676bfc1e8291e207ec2cb6095 [0,1,0,0,0,0|3,0,0]=4 3491 B12R0.277 C=CC[C@@H](C)OCCOCC(=O)O 4b75560508cbdd4cef91a1c98801ebff [0,1,0,0,0,0|2,0,0]=3 3492 B12R0.277 C=CC[C@H](C)OCCCCC(=O)C a702fe33b91d2fae79d1925e7075c1ac [0,1,0,0,0,0|2,0,0]=3 3493 B12R0.277 C=CC[C@H](C)OCCCCC(=O)N a203ebc62f8920690f640c16fcdb18cc [0,1,0,0,0,0|2,0,0]=3 3494 B12R0.277 C=CC[C@H](C)OCCCNC(=O)C 1fa5b7905183a6f558137c9c570f976b [0,1,0,0,0,0|3,0,0]=4 3495 B12R0.277 C=CC[C@H](C)OCCCOC(=O)C 9735b5a71cd7b456cb10152de333dc2a [0,1,0,0,0,0|3,0,0]=4 3496 B12R0.277 C=CC[C@H](C)OCCCSC(=O)C 4af215418ad01cb7155f140cf4e650a1 [0,1,0,0,0,0|3,0,0]=4 3497 B12R0.277 C=CC[C@H](C)OCCOCC(=O)N 71d18a4a9eae02382492dae4812d53e9 [0,1,0,0,0,0|3,0,0]=4 3498 B12R0.277 C=CC[C@H](C)OCCOCC(=O)O 8a881599c6a94fb81749a0d4d8e0bb2f [0,1,0,0,0,0|2,0,0]=3 3499 B12R0.277 C=COC(=O)CNCCCC(=O)O 81cc22bd2db3dbc4026771e0a6776e74 [0,1,0,0,0,0|2,0,1]=4 3500 B12R0.277 CC(CC#N)NCCCCC(=O)O 04195b0c27a88ba462a31b04daf47236 [0,1,0,0,0,0|2,0,1]=4 3501 B12R0.277 CC(CC#N)OCCCCC(=O)O 908d1433e4322238cfb5b528e0761098 [0,1,0,0,0,0|2,0,1]=4 3502 B12R0.277 CC(CCCCCC(=O)O)OCF fc839a492656c57b380e0a59a6ea7f6c [0,1,0,0,0,0|2,0,1]=4 3503 B12R0.277 CC(CCO)CNCCCC(=O)O a22dac83cffb7417fb820d4ebdcdc0b3 [0,1,0,0,0,0|2,0,1]=4 3504 B12R0.277 CC(CCO)NCCCCC(=O)O 32ebf70a4289d91dc70087d817137f63 [0,1,0,0,0,0|2,0,1]=4 3505 B12R0.277 CC=CC(C)OCCCCC(=O)O a702d560cc50112b6a8c53ab1dec1a22 [0,1,0,0,0,0|1,0,2]=4 3506 B12R0.277 CCCC(C)CCCOCC(=O)O ab89c819830bc48302db4f341b81fd16 [0,1,0,0,0,0|1,0,2]=4 3507 B12R0.277 CCCC(C)CCOCCC(=O)O 03b76b41578e9acaf1e42df292f050c3 [0,1,0,0,0,0|1,0,2]=4 3508 B12R0.277 CCCC(C)CNCCCC(=O)O d9878a804d5cedea5970c063205c383b [0,1,0,0,0,0|1,0,2]=4 3509 B12R0.277 CCCC(C)NCCCCC(=O)O 48d5592d94a45933afd15061689b4048 [0,1,0,0,0,0|1,0,2]=4 3510 B12R0.277 CCCC(C)OCCCCC(=O)O 64b544d5e46b90bfc2cfab82f84f620c [0,1,0,0,0,0|1,0,2]=4 3511 B12R0.277 CCCC(S)CCOCCC(=O)O 2371c3233b8a0b51c4111614aa97380a [0,1,0,0,0,0|1,0,2]=4 3512 B12R0.277 CCOC(C)CCCCCC(=O)O 4f8547feb077b9411df8bda2d38ffd38 [0,1,0,0,0,0|1,0,2]=4 3513 B12R0.277 CN(CC#N)CCCCCC(=O)O 703dab34286d79d69032a546a4c36354 [0,1,0,0,0,0|2,0,1]=4 3514 B12R0.277 CN(CC=O)CCOCCC(=O)O e5696a42670d2aff0204ec78bf5fe8af [0,1,0,0,0,0|3,0,0]=4 3515 B12R0.277 CN(CCF)CCCCCC(=O)O eee73a75a8d1010586b250f02203d3f6 [0,1,0,0,0,0|2,0,1]=4 3516 B12R0.277 COCC(C)NCCCCC(=O)O e97cfdd92dcf30d74ca25a1738a59ae6 [0,1,0,0,0,0|2,0,1]=4 3517 B12R0.277 COCC(C)OCCCCC(=O)O d278c5c9fdb7bdf888dc8930b1c726d5 [0,1,0,0,0,0|2,0,1]=4 3518 B12R0.277 COCC(O)CNCCCC(=O)O c4d47fc97faa6b01b9fb04b2ec12e4fd [0,1,0,0,0,0|2,0,1]=4 3519 B12R0.277 COC[C@@H](C)NCCCCC(=O)O 8805be7357316f1cefd8ea7f2a5be6ea [0,1,0,0,0,0|2,0,1]=4 3520 B12R0.277 COC[C@@H](O)CNCCCC(=O)O 99e925e016bb8af79cb0b34047aebdb6 [0,1,0,0,0,0|2,0,1]=4 3521 B12R0.277 COC[C@H](C)NCCCCC(=O)O da2897ef08ed4af8c893d8f971f8cc55 [0,1,0,0,0,0|2,0,1]=4 3522 B12R0.277 CSCC(C)OCCCCC(=O)O dd44371104b7cac3deea4acfd60f96a3 [0,1,0,0,0,0|2,0,1]=4 3523 B12R0.277 C[C@@H](CCO)NCCCCC(=O)O 01dab4818877678c994369ecec191c66 [0,1,0,0,0,0|2,0,1]=4 3524 B12R0.277 C[C@H](CCO)NCCCCC(=O)O 2d3c487dd6bc320a297289974fe76933 [0,1,0,0,0,0|2,0,1]=4 3525 B12R0.277 N#CCC(O)CNCCCC(=O)O 667581c6f23b397897991c697023250c [0,1,0,0,0,0|2,0,1]=4 3526 B12R0.277 N#CC[C@@H](O)CNCCCC(=O)O 22a6391a99b697f47a3140d0ee258dea [0,1,0,0,0,0|2,0,1]=4 3527 B12R0.277 N#CC[C@H](O)CNCCCC(=O)O 7c1f1774baa7276ab1ddfa44a5e93490 [0,1,0,0,0,0|2,0,1]=4 3528 B12R1.7 C#CCCNCC1CCC(=O)O1 a861a61b184da2871b0b2c2714604e43 [0,0,0,1,0,0|1,0,2]=4 3529 B12R1.7 C#CCCOCC1CCC(=O)O1 c08fe0573197cb823429ff8ded2c6572 [0,0,0,1,0,0|1,0,2]=4 3530 B12R1.7 C#CCCOC[C@@H]1CCC(=O)O1 fb97b728f189dfc8a4e4b8421f1702a1 [0,0,0,1,0,0|1,0,2]=4 3531 B12R1.7 C#CCCOC[C@H]1CCC(=O)O1 bcb872fc1d1037dea5b9576b0fca0c6f [0,0,0,1,0,0|1,0,2]=4 3532 B12R1.7 C/C=C/COCC1CCC(=O)O1 2357cf2881d8a4535e1c957049f3753b [0,0,0,1,0,0|1,0,2]=4 3533 B12R1.7 C/C=C/COC[C@@H]1CCC(=O)O1 8770d1c63ad5c1408e8b306e1566defe [0,0,0,1,0,0|1,0,2]=4 3534 B12R1.7 C/C=C/COC[C@H]1CCC(=O)O1 540ab44fdd378c1eff49e9214b8abaae [0,0,0,1,0,0|1,0,2]=4 3535 B12R1.7 C/C=C\COCC1CCC(=O)O1 d99a6e9b12f4287b35cedb839d588da4 [0,0,0,1,0,0|1,0,2]=4 3536 B12R1.7 C/C=C\COC[C@@H]1CCC(=O)O1 5a710c374eaa5e2710703ef69a57f9e8 [0,0,0,1,0,0|1,0,2]=4 3537 B12R1.7 C/C=C\COC[C@H]1CCC(=O)O1 29a8b95e74216039f560a84bc9b09c86 [0,0,0,1,0,0|1,0,2]=4 3538 B12R1.7 C=CCCCCN1CCC(C1)O 19b5428a82ab791454a91a1c686aaac8 [0,0,0,1,0,0|2,0,1]=4 3539 B12R1.7 C=CCCCCN1CC[C@@H](C1)O 03a8e2841cc1884aad2e0358e15d7d60 [0,0,0,1,0,0|2,0,1]=4 3540 B12R1.7 C=CCCCCN1CC[C@H](C1)O 01672be5e8e8beb30e58846e1fd68f45 [0,0,0,1,0,0|2,0,1]=4 3541 B12R1.7 C=CCCCCN1CNC(=O)C1 7243e280ca349ac3e7e381f11c51b56c [0,0,0,1,0,0|3,0,0]=4 3542 B12R1.7 C=CCCCNC1CCC(C1)O 18eba074d48bff6ebdda7809df87fcfe [0,0,0,1,0,0|2,0,1]=4 3543 B12R1.7 C=CCCCNC1CNC(=O)C1 3f7fe9109d4767ef8ee27fa25f519c29 [0,0,0,1,0,0|3,0,0]=4 3544 B12R1.7 C=CCCCN[C@@H]1CC[C@@H](C1)O 29ecc38c518858f65ff41d4722420851 [0,0,0,1,0,0|2,0,1]=4 3545 B12R1.7 C=CCCCN[C@@H]1CC[C@H](C1)O 8aec7353fa92efaa60b113ded7cdff2c [0,0,0,1,0,0|2,0,1]=4 3546 B12R1.7 C=CCCCN[C@@H]1CNC(=O)C1 1f1878e78edb42cdfc973ee3a40b01ca [0,0,0,1,0,0|3,0,0]=4 3547 B12R1.7 C=CCCCN[C@H]1CC[C@@H](C1)O 59608cd530c700a912c6af993c6c5ba0 [0,0,0,1,0,0|2,0,1]=4 3548 B12R1.7 C=CCCCN[C@H]1CC[C@H](C1)O 471d1144abf9f94df8fd318ef8fc009b [0,0,0,1,0,0|2,0,1]=4 3549 B12R1.7 C=CCCCN[C@H]1CNC(=O)C1 d9c0825a4425af73c3995e1c242e1544 [0,0,0,1,0,0|3,0,0]=4 3550 B12R1.7 C=CCCCOC1=CC(=O)CC1 a0ffefb9c3a70849f8d7cfc1de496086 [0,0,0,1,0,0|2,0,1]=4 3551 B12R1.7 C=CCCCOC1C=CC(=O)O1 b07ffc0fd7625abdd1c1a26aa81d5841 [0,0,0,1,0,0|1,0,2]=4 3552 B12R1.7 C=CCCCOC1CCC(=O)C1 5b33d42afb7ffd18b69b069b459fed30 [0,0,0,1,0,0|2,0,0]=3 3553 B12R1.7 C=CCCCOC1CNC(=O)C1 1922116c2b13286eb7635dfe71b1483a [0,0,0,1,0,0|3,0,0]=4 3554 B12R1.7 C=CCCCOC1COC(=O)C1 3315bb5d0e5eadd7ee55ccefb7d97b0f [0,0,0,1,0,0|3,0,0]=4 3555 B12R1.7 C=CCCCO[C@@H]1CNC(=O)C1 62b452afa67d5c960bd4f866368023d7 [0,0,0,1,0,0|3,0,0]=4 3556 B12R1.7 C=CCCCO[C@@H]1COC(=O)C1 b854cef678a26fdc481b20af708a2c01 [0,0,0,1,0,0|3,0,0]=4 3557 B12R1.7 C=CCCCO[C@H]1CNC(=O)C1 0439297a000b66413137c33e8e17d15b [0,0,0,1,0,0|3,0,0]=4 3558 B12R1.7 C=CCCCO[C@H]1COC(=O)C1 03457fd0a8db3e6373f85042cc367805 [0,0,0,1,0,0|3,0,0]=4 3559 B12R1.7 C=CCCNCC1CCC(=O)N1 465a1c6e95306e23c15a10117f6b1e43 [0,0,0,1,0,0|2,0,0]=3 3560 B12R1.7 C=CCCNCC1CCC(=O)O1 d4307dc4c7399f21bc4ddb419e5f76d2 [0,0,0,1,0,0|1,0,0]=2 3561 B12R1.7 C=CCCNCC1CCC(C1)O 373819f78147cafdb0b23657b8635095 [0,0,0,1,0,0|2,0,1]=4 3562 B12R1.7 C=CCCNCC1CNC(=O)C1 942a16317f08863a3cb52008ea9c5707 [0,0,0,1,0,0|3,0,0]=4 3563 B12R1.7 C=CCCNC[C@@H]1CCC(=O)N1 efb78130a35f921f65d8d71aa004c277 [0,0,0,1,0,0|2,0,0]=3 3564 B12R1.7 C=CCCNC[C@@H]1CNC(=O)C1 447c62a46deeb6156cf42907d77dbfec [0,0,0,1,0,0|3,0,0]=4 3565 B12R1.7 C=CCCNC[C@H]1CCC(=O)N1 bd2b7fd300869066e65825d8c024dd96 [0,0,0,1,0,0|2,0,0]=3 3566 B12R1.7 C=CCCOCC1C=CC(=O)O1 fe95fcbf7de8636d51f9182085e2227a [0,0,0,1,0,0|1,0,2]=4 3567 B12R1.7 C=CCCOCC1CCC(=O)C1 129b0644ef8f288dd804a998cc7a096e [0,0,0,1,0,0|2,0,0]=3 3568 B12R1.7 C=CCCOCC1CCC(=O)N1 d3a6c7680fcae093aff87746b43b3a53 [0,0,0,1,0,0|2,0,0]=3 3569 B12R1.7 C=CCCOCC1CCC(=O)O1 93b659876f6905a4dd02172007021eaa [0,0,0,1,0,0|1,0,0]=2 3570 B12R1.7 C=CCCOCC1CCC(O1)C 5a4095510115825cc217ca7325ad49d3 [0,0,0,1,0,0|2,0,1]=4 3571 B12R1.7 C=CCCOCC1CNC(=O)C1 9060e8db901174031d7e443f4297f955 [0,0,0,1,0,0|3,0,0]=4 3572 B12R1.7 C=CCCOCC1CNC(=O)N1 d3c0274c4a4f687dfee7cc33f16f0a03 [0,0,0,1,0,0|3,0,0]=4 3573 B12R1.7 C=CCCOCC1COC(=O)C1 80beb20bcc33f26767ffc01b97b72d70 [0,0,0,1,0,0|3,0,0]=4 3574 B12R1.7 C=CCCOC[C@@H]1C=CC(=O)O1 54deb510aa491b0cc55e052b9635a7f6 [0,0,0,1,0,0|1,0,2]=4 3575 B12R1.7 C=CCCOC[C@@H]1CCC(=O)C1 eff8f87b034e98792c47dc93a14c5724 [0,0,0,1,0,0|2,0,0]=3 3576 B12R1.7 C=CCCOC[C@@H]1CCC(=O)N1 d51a05ee7d85656aea989cc84503b718 [0,0,0,1,0,0|2,0,0]=3 3577 B12R1.7 C=CCCOC[C@@H]1CCC(=O)O1 471146a4583561649bf174b6054b6a21 [0,0,0,1,0,0|1,0,0]=2 3578 B12R1.7 C=CCCOC[C@@H]1CC[C@@H](O1)C d016a24a53465b26f413f5b27285d669 [0,0,0,1,0,0|2,0,1]=4 3579 B12R1.7 C=CCCOC[C@@H]1CNC(=O)C1 275d19471e0adcd1be62e1de549cd05e [0,0,0,1,0,0|3,0,0]=4 3580 B12R1.7 C=CCCOC[C@H]1CCC(=O)N1 736651d25fb3dbfd3f11ec76a95e0399 [0,0,0,1,0,0|2,0,0]=3 3581 B12R1.7 C=CCCOC[C@H]1CCC(=O)O1 1cf82b514e4b2e92de0ac9501bfdb669 [0,0,0,1,0,0|1,0,0]=2 3582 B12R1.7 C=CCCOC[C@H]1CNC(=O)C1 402cd055229a903fbd9fed4a9bd11206 [0,0,0,1,0,0|3,0,0]=4 3583 B12R1.7 C=CCOCC[C@@H]1CCC(=O)N1 8311243161c03b7ee4592d386869f353 [0,0,0,1,0,0|2,0,0]=3 3584 B12R1.7 CC=CCNCC1CCC(=O)O1 7fb5b699cbeab3bd1d9d3c1633426a88 [0,0,0,1,0,0|1,0,2]=4 3585 B12R1.7 CC=CCOCC1CCC(=O)O1 67cfaa2803fa027cd9fa8ab5efcaaf7d [0,0,0,1,0,0|1,0,2]=4 3586 B12R1.7 CCCCNCC1CCC(=O)O1 6cd8011045f3aca64bc8a0d7d982ed52 [0,0,0,1,0,0|1,0,2]=4 3587 B12R1.7 CCCCOCC1CCC(=O)O1 548ccdd9b3c0f85ccc42c7a67107df18 [0,0,0,1,0,0|1,0,2]=4 3588 B12R1.7 CCCCOC[C@@H]1CCC(=O)O1 958d143e3b3dfa027226aeedee209e8b [0,0,0,1,0,0|1,0,2]=4 3589 B12R1.7 CCCCOC[C@H]1CCC(=O)O1 6e8fd0561526e2bd363323f98b7a38f0 [0,0,0,1,0,0|1,0,2]=4 3590 B12R1.7 COCCNCC1CCC(=O)O1 8f6e1f94cf6292fc7faf768f975cd3f8 [0,0,0,1,0,0|2,0,1]=4 3591 B12R1.7 COCCOCC1CCC(=O)O1 b0718ebde33417f03fd92ee31f06f479 [0,0,0,1,0,0|2,0,1]=4 3592 B12R1.7 COCCOC[C@@H]1CCC(=O)O1 013f86e0b335e97731e339533acd7f24 [0,0,0,1,0,0|2,0,1]=4 3593 B12R1.7 COCCOC[C@H]1CCC(=O)O1 f3114e5456625ea1fb749271e33f81b6 [0,0,0,1,0,0|2,0,1]=4 3594 B12R1.7 CSCCNCC1CCC(=O)O1 50a1b89cc398fd60174061481cebac95 [0,0,0,1,0,0|2,0,1]=4 3595 B12R1.7 CSCCOCC1CCC(=O)O1 3fd0876bce278bc0db893f4c1a7b74e6 [0,0,0,1,0,0|2,0,1]=4 3596 B12R1.7 CSCCOC[C@@H]1CCC(=O)O1 e5f7f6e111d98381a8ef679930097b29 [0,0,0,1,0,0|2,0,1]=4 3597 B12R1.7 CSCCOC[C@H]1CCC(=O)O1 7fb1ebfae7893192536d21edba0004d9 [0,0,0,1,0,0|2,0,1]=4 3598 B12R1.7 N#CCCNCC1CCC(=O)O1 ad91e7642e73c748e6b72a9604a2c122 [0,0,0,1,0,0|2,0,1]=4 3599 B12R1.7 N#CCCOCC1CCC(=O)O1 7cf211e4df448f419f6de6b7c53847dd [0,0,0,1,0,0|2,0,1]=4 3600 B12R1.7 N#CCCOC[C@@H]1CCC(=O)O1 927fd18d8df610460fbe56d251cc42c6 [0,0,0,1,0,0|2,0,1]=4 3601 B12R1.7 N#CCCOC[C@H]1CCC(=O)O1 407d49f69da6f4e678fb898501b711d5 [0,0,0,1,0,0|2,0,1]=4 3602 B12R1.7 NOCCNCC1CCC(=O)O1 2c9005584d8d89a51e45a47389f94ffa [0,0,0,1,0,0|3,0,0]=4 3603 B12R1.7 O=C1CCC(O1)CNCCCCl 73bcee49122df8eaa3b2bd710d8a6f88 [0,0,0,1,0,0|2,0,1]=4 3604 B12R1.7 O=C1CCC(O1)CNCCCO ebb892de373e6ef9d05446b93922fe39 [0,0,0,1,0,0|2,0,1]=4 3605 B12R1.7 O=C1CCC(O1)COC/C=C/Cl 8955fc90ddc630431b20af5f750c487e [0,0,0,1,0,0|2,0,1]=4 3606 B12R1.7 O=C1CCC(O1)COC/C=C\Cl cff0b6aee05d7b3b1f7635fc7eb9f853 [0,0,0,1,0,0|2,0,1]=4 3607 B12R1.7 O=C1CCC(O1)COCC=CCl b24e4d57bd4432427c21aa751af9580f [0,0,0,1,0,0|2,0,1]=4 3608 B12R1.7 O=C1CCC(O1)COCCCF 68f70e0df921a05bbcd790160a44dac6 [0,0,0,1,0,0|2,0,1]=4 3609 B12R1.7 O=C1CCC(O1)COCCCS c1c1b83af2c9f4f2b3f069091d006560 [0,0,0,1,0,0|2,0,1]=4 3610 B12R1.7 O=C1CC[C@@H](O1)COC/C=C/Cl a4f86807e88007e52864562bcac12398 [0,0,0,1,0,0|2,0,1]=4 3611 B12R1.7 O=C1CC[C@@H](O1)COC/C=C\Cl d4e36f6490b61d0e3ccb94c4bef209aa [0,0,0,1,0,0|2,0,1]=4 3612 B12R1.7 O=C1CC[C@@H](O1)COCCCF 1b60c76290004a5663c6d821e2c49447 [0,0,0,1,0,0|2,0,1]=4 3613 B12R1.7 O=C1CC[C@@H](O1)COCCCS ae9d7d32b09feda099e7954222100eb8 [0,0,0,1,0,0|2,0,1]=4 3614 B12R1.7 O=C1CC[C@H](O1)COC/C=C/Cl 0886326934e4fb1407c4cf7f0211b958 [0,0,0,1,0,0|2,0,1]=4 3615 B12R1.7 O=C1CC[C@H](O1)COC/C=C\Cl 56da23dd5c9808818b9b2a9258dfc1f5 [0,0,0,1,0,0|2,0,1]=4 3616 B12R1.7 O=C1CC[C@H](O1)COCCCF afb4f3f3770497e60dcf37c60edee21c [0,0,0,1,0,0|2,0,1]=4 3617 B12R1.7 O=C1CC[C@H](O1)COCCCS f0373bae578e793f139e3509a4a23f4e [0,0,0,1,0,0|2,0,1]=4 3618 B12R1.7 O=CCCCOC1CCC(=O)C1 7baee0ca32d62636113224f681e181ec [0,0,0,1,0,0|3,0,0]=4 3619 B12R1.7 O=CCCNCC1CCC(=O)N1 7a55d02739f05b92693e085679e44b0e [0,0,0,1,0,0|3,0,0]=4 3620 B12R1.7 O=CCCNC[C@@H]1CCC(=O)N1 303e7e5e005786b669fddd646f431fea [0,0,0,1,0,0|3,0,0]=4 3621 B12R1.7 O=CCCNC[C@H]1CCC(=O)N1 54fea993fb963fd1e9cb2f350a3e0eb9 [0,0,0,1,0,0|3,0,0]=4 3622 B12R1.7 O=CCCOCC1CCC(=O)C1 828c6ccdf4163ea18f8625ce02a5f234 [0,0,0,1,0,0|3,0,0]=4 3623 B12R1.7 O=CCCOCC1CCC(=O)N1 960822ff7ebe59bc1d5bab85cde97129 [0,0,0,1,0,0|3,0,0]=4 3624 B12R1.7 O=CCCOCC1CCC(=O)O1 40a0d90a9925c8e29ef0f649323a4b00 [0,0,0,1,0,0|2,0,0]=3 3625 B12R1.7 O=CCCOC[C@@H]1CCC(=O)C1 3e414a21450c3cd82d7186eb230df007 [0,0,0,1,0,0|3,0,0]=4 3626 B12R1.7 O=CCCOC[C@@H]1CCC(=O)N1 78a348ae0a78b9de80ac4b44ba4ae932 [0,0,0,1,0,0|3,0,0]=4 3627 B12R1.7 O=CCCOC[C@@H]1CCC(=O)O1 c819e25884afaa6e3146f5a41b388b3d [0,0,0,1,0,0|2,0,0]=3 3628 B12R1.7 O=CCCOC[C@H]1CCC(=O)N1 6336515aace6f65970f06bf6e4d5f016 [0,0,0,1,0,0|3,0,0]=4 3629 B12R1.7 O=CCCOC[C@H]1CCC(=O)O1 96d7bac62f2dc21c1fab1ebdef98fbe7 [0,0,0,1,0,0|2,0,0]=3 3630 B12R1.7 O=CCOCC[C@@H]1CCC(=O)N1 a56472ed9c8f5408e321e3bcc0cf443a [0,0,0,1,0,0|3,0,0]=4 3631 B12R1.28 C=CCCCN1CCCC(=O)C1 7959216cd1c227ca465515d9008bc2a8 [0,0,0,1,0,0|2,0,0]=3 3632 B12R1.28 C=CCCCN1CCCC(C1)O adda0dbd74b3489279d862adcfcb7204 [0,0,0,1,0,0|2,0,1]=4 3633 B12R1.28 C=CCCCN1CCC[C@@H](C1)O 49ae4565f81a38d857f05cdf05be5194 [0,0,0,1,0,0|2,0,1]=4 3634 B12R1.28 C=CCCCN1CCC[C@H](C1)O 5c9ec4eb2864321900f0ec10ea603ad6 [0,0,0,1,0,0|2,0,1]=4 3635 B12R1.28 C=CCCCN1CCNC(=O)C1 8bc563fa46bd81ecb44ce47bce44fa5f [0,0,0,1,0,0|3,0,0]=4 3636 B12R1.28 C=CCCCN1CCOC(=O)C1 81fe75afbf2d0910fb48adfe510efb35 [0,0,0,1,0,0|3,0,0]=4 3637 B12R1.28 C=CCCNC1CCCC(=O)C1 b4c8bf1010694cd031204ea4c6cb5de5 [0,0,0,1,0,0|2,0,0]=3 3638 B12R1.28 C=CCCNC1CCCC(C1)O 14ac7bf59ac8ca2d277377a13b4ff6e7 [0,0,0,1,0,0|2,0,1]=4 3639 B12R1.28 C=CCCNC1CCNC(=O)C1 23c76ab4d254efa6c3e78a2283554f6a [0,0,0,1,0,0|3,0,0]=4 3640 B12R1.28 C=CCCN[C@@H]1CCC[C@@H](C1)O 97864fee0825b39f13b72058343ef314 [0,0,0,1,0,0|2,0,1]=4 3641 B12R1.28 C=CCCN[C@@H]1CCC[C@H](C1)O 17c3fd8a999fa55e695ab6d37a08e809 [0,0,0,1,0,0|2,0,1]=4 3642 B12R1.28 C=CCCN[C@@H]1CCNC(=O)C1 195ab497842d9090f25fed2695953428 [0,0,0,1,0,0|3,0,0]=4 3643 B12R1.28 C=CCCN[C@H]1CCC[C@@H](C1)O 5cf825d6d3277d2888f6ecbd0622fbe9 [0,0,0,1,0,0|2,0,1]=4 3644 B12R1.28 C=CCCN[C@H]1CCC[C@H](C1)O d2536a30531bc95d67d695bd21d49308 [0,0,0,1,0,0|2,0,1]=4 3645 B12R1.28 C=CCCN[C@H]1CCNC(=O)C1 c4cea157355a37612f0df7cfd1eb7b48 [0,0,0,1,0,0|3,0,0]=4 3646 B12R1.28 C=CCCOC1=CC(=O)CCC1 6d36a67c7e565355963de16112e6cb97 [0,0,0,1,0,0|2,0,1]=4 3647 B12R1.28 C=CCCOC1C=C(CCC1)C c842d7212dd003e48ffaad360fd9bb2e [0,0,0,1,0,0|3,0,0]=4 3648 B12R1.28 C=CCCOC1CCCC(=O)C1 5f85ef61ddb691a5de478e1f19ed21c9 [0,0,0,1,0,0|2,0,0]=3 3649 B12R1.28 C=CCCOC1CCNC(=O)C1 675e1db63186af8bbdbfc785df3e9368 [0,0,0,1,0,0|3,0,0]=4 3650 B12R1.28 C=CCCO[C@@H]1CCNC(=O)C1 910b32b0ae566863c19319cd2fee17df [0,0,0,1,0,0|3,0,0]=4 3651 B12R1.28 C=CCCO[C@H]1CCNC(=O)C1 27458a4f1eac8dce53775d9e16839c00 [0,0,0,1,0,0|3,0,0]=4 3652 B12R1.28 C=CCNCC1CCCC(=O)N1 8a5793136d868313ffdc0579711050b6 [0,0,0,1,0,0|2,0,0]=3 3653 B12R1.28 C=CCNCC1CCCC(C1)O cb4e0fb7c9e01afd58799c3047fa8ad8 [0,0,0,1,0,0|2,0,1]=4 3654 B12R1.28 C=CCNCC1CCNC(=O)C1 87a0f2ad8781c395284df07c73029113 [0,0,0,1,0,0|3,0,0]=4 3655 B12R1.28 C=CCNC[C@H]1CCC[C@H](C1)O 61687c3b578d0d4180c1bbe46ae9da96 [0,0,0,1,0,0|2,0,1]=4 3656 B12R1.28 C=CCOCC1CCCC(=O)C1 0b7b29d198071c2a88254b307f896cc9 [0,0,0,1,0,0|2,0,0]=3 3657 B12R1.28 C=CCOCC1CCCC(=O)N1 469328dcf5bc45f0bf71c2b6416c3c5f [0,0,0,1,0,0|2,0,0]=3 3658 B12R1.28 C=CCOCC1CCNC(=O)C1 eafc7ed8af9ecc3c5e5c489a8b3896d1 [0,0,0,1,0,0|3,0,0]=4 3659 B12R1.28 C=CCOCC1COCC(=O)N1 31c543ba807c636e4cf5f5705b54e361 [0,0,0,1,0,0|3,0,0]=4 3660 B12R1.28 C=CCOC[C@@H]1CCCC(=O)N1 9c48ba3bb26d5e356d07349e66d8c715 [0,0,0,1,0,0|2,0,0]=3 3661 B12R1.28 C=CCOC[C@@H]1COCC(=O)N1 4f5141fe5c5c9d85b25c5b77eb734116 [0,0,0,1,0,0|3,0,0]=4 3662 B12R1.28 C=CCOC[C@H]1CCCC(=O)N1 c2b128bd83f79c2449588f0bc718e86d [0,0,0,1,0,0|2,0,0]=3 3663 B12R1.28 C=CCOC[C@H]1COCC(=O)N1 74c2345fc2dc21022361efbe183a40a8 [0,0,0,1,0,0|3,0,0]=4 3664 B12R1.28 O=CCCCN1CCCC(=O)C1 41d6f3e228fbd7bd2677659d048618b7 [0,0,0,1,0,0|3,0,0]=4 3665 B12R1.28 O=CCCOC1CCCC(=O)C1 6a7498cf1aaebed2ed7283e004833db9 [0,0,0,1,0,0|3,0,0]=4 3666 B12R1.28 O=CCNCC1CCCC(=O)N1 a6fb89bfeafac47c545c3f6af685d87e [0,0,0,1,0,0|3,0,0]=4 3667 B12R1.28 O=CCOCC1CCCC(=O)C1 a988bc877cd0124fb8027a9814750204 [0,0,0,1,0,0|3,0,0]=4 3668 B12R1.28 O=CCOCC1CCCC(=O)N1 1663387c928826022643439a39fe859e [0,0,0,1,0,0|3,0,0]=4 3669 B12R1.28 O=CCOC[C@@H]1CCCC(=O)N1 bdb6d7a41b406d39a5533ba141588154 [0,0,0,1,0,0|3,0,0]=4 3670 B12R1.28 O=CCOC[C@H]1CCCC(=O)N1 eaf2a6313a5655cd0b764b9a8be22b78 [0,0,0,1,0,0|3,0,0]=4 3671 B12R1.62 C#CCCCNCC1CC(=O)O1 5299dbd4bdcfaaad612e47b6b560c8bc [0,0,0,1,0,0|1,0,2]=4 3672 B12R1.62 C#CCCCOCC1CC(=O)O1 6c0d46c66305c2d102f04eb447d167bb [0,0,0,1,0,0|1,0,2]=4 3673 B12R1.62 C/C=C/CCOCC1CC(=O)O1 3a85685083479b36aad278ebc793f11f [0,0,0,1,0,0|1,0,2]=4 3674 B12R1.62 C=C=CCCOCC1CC(=O)O1 35750a650909c6c5b50dcccf4cfcb43c [0,0,0,1,0,0|1,0,2]=4 3675 B12R1.62 C=CCCCCCN1CC(C1)O c2bb73c909dda68716de8058d8749b87 [0,0,0,1,0,0|2,0,1]=4 3676 B12R1.62 C=CCCCCNC1CC(=O)C1 512c7b73e9927e7d4c069226f59de050 [0,0,0,1,0,0|2,0,0]=3 3677 B12R1.62 C=CCCCCNC1CC(C1)O 7a39769386666298b7304de3cdb1e92f [0,0,0,1,0,0|2,0,1]=4 3678 B12R1.62 C=CCCCCN[C@H]1C[C@@H](C1)O 7e5b36779d9459ed40317f80cd6ec2f3 [0,0,0,1,0,0|2,0,1]=4 3679 B12R1.62 C=CCCCCN[C@H]1C[C@H](C1)O 388e7cbc3e8866468376b2cd7d69e88c [0,0,0,1,0,0|2,0,1]=4 3680 B12R1.62 C=CCCCCOC1CC(=O)C1 c52435ed8b8e22a3855d93b73fbbe49c [0,0,0,1,0,0|2,0,0]=3 3681 B12R1.62 C=CCCCNCC1CC(=C)C1 f2645d4978f59e5dff4d17fe5b1e482f [0,0,0,1,0,0|3,0,0]=4 3682 B12R1.62 C=CCCCNCC1CC(=O)C1 e44b2a1ca5a705464bfa772aac5b72fb [0,0,0,1,0,0|2,0,0]=3 3683 B12R1.62 C=CCCCNCC1CC(=O)N1 0774cb47aff6598c99535b5b2cd84f8e [0,0,0,1,0,0|2,0,0]=3 3684 B12R1.62 C=CCCCNCC1CC(=O)O1 42a5908135d9b8a73ff16fdc8d5cda9f [0,0,0,1,0,0|1,0,0]=2 3685 B12R1.62 C=CCCCNCC1CC(C1)O 42ee61e85778a093f7ef09cad2ec8ef7 [0,0,0,1,0,0|2,0,1]=4 3686 B12R1.62 C=CCCCNC[C@H]1C[C@@H](C1)O b73e7b638c39af9c360ceb505960acd7 [0,0,0,1,0,0|2,0,1]=4 3687 B12R1.62 C=CCCCNC[C@H]1C[C@H](C1)O f09a33a4ba0f1a615bf0e86d32029861 [0,0,0,1,0,0|2,0,1]=4 3688 B12R1.62 C=CCCCOCC1CC(=C)C1 e8e44b9b2a101fdc4b7cd5d68f132c16 [0,0,0,1,0,0|3,0,0]=4 3689 B12R1.62 C=CCCCOCC1CC(=O)C1 7dc17b079806047f8c5eab42e792868b [0,0,0,1,0,0|2,0,0]=3 3690 B12R1.62 C=CCCCOCC1CC(=O)N1 7912d83f6b92685f341bdf4c458e66e4 [0,0,0,1,0,0|2,0,0]=3 3691 B12R1.62 C=CCCCOCC1CC(=O)O1 485c7e1279737c19f7f104e6bf40ad15 [0,0,0,1,0,0|1,0,0]=2 3692 B12R1.62 C=CCCCOC[C@@H]1CC(=O)N1 f2d8ddb35a96720783002ed8a8dc5052 [0,0,0,1,0,0|2,0,0]=3 3693 B12R1.62 C=CCCCOC[C@H]1CC(=O)N1 aba8a11013be7f8977bee2465a5338f6 [0,0,0,1,0,0|2,0,0]=3 3694 B12R1.62 C=CCOCCOC1CC(=O)C1 33b0e7740f31577bbb05e30495475ce0 [0,0,0,1,0,0|3,0,0]=4 3695 B12R1.62 C=COCCCNC1CC(=O)C1 81cc77d37eca9dcd6ba8cc95dde0ee14 [0,0,0,1,0,0|3,0,0]=4 3696 B12R1.62 C=COCCNCC1CC(=O)C1 8bb0a030b6d9e619bb389168aa43fe57 [0,0,0,1,0,0|3,0,0]=4 3697 B12R1.62 C=COCCNCC1CC(=O)N1 23c7a6d4c6ca0ec249594d900cdb4206 [0,0,0,1,0,0|3,0,0]=4 3698 B12R1.62 C=COCCNCC1CC(=O)O1 e8d2c5126e953246f5e67c6d5bdd3ba5 [0,0,0,1,0,0|2,0,0]=3 3699 B12R1.62 C=COCCOCC1CC(=O)C1 8cfad73cbc68f5ad93a3bc50caec86b4 [0,0,0,1,0,0|3,0,0]=4 3700 B12R1.62 C=COCCOCC1CC(=O)N1 fc6d67efd42c295fe0e14e9b32fbabab [0,0,0,1,0,0|3,0,0]=4 3701 B12R1.62 C=COCCOCC1CC(=O)O1 852ff1986899be71b8fe9bd042238644 [0,0,0,1,0,0|2,0,0]=3 3702 B12R1.62 CCCCCNCC1CC(=O)O1 ff6d6a187e16761c4d1a91e2c6c1bcde [0,0,0,1,0,0|1,0,2]=4 3703 B12R1.62 CCCCCOCC1CC(=O)O1 afd83f8ec1447a38903a8d2b07eff09e [0,0,0,1,0,0|1,0,2]=4 3704 B12R1.62 COCCCNCC1CC(=O)O1 eb6fbfb1dd03c80c2e262347021bbfff [0,0,0,1,0,0|2,0,1]=4 3705 B12R1.62 COCCCOCC1CC(=O)O1 057e8e6f19befc591a29037d8106e1af [0,0,0,1,0,0|2,0,1]=4 3706 B12R1.62 CSCCCNCC1CC(=O)O1 fb25dc1acfd9a488709a80f773869c31 [0,0,0,1,0,0|2,0,1]=4 3707 B12R1.62 CSCCCOCC1CC(=O)O1 9761b6420b317930ab55576b502d8b14 [0,0,0,1,0,0|2,0,1]=4 3708 B12R1.62 N#CCCCNCC1CC(=O)O1 aebd881ee9be633fb1d5e6552286adcf [0,0,0,1,0,0|2,0,1]=4 3709 B12R1.62 N#CCCCOCC1CC(=O)O1 c5e72e09ea404571aaec27aca0708fab [0,0,0,1,0,0|2,0,1]=4 3710 B12R1.62 O=C1CC(O1)CNCCCCCl 970d3242d805b1c1b1d442204f94cdc9 [0,0,0,1,0,0|2,0,1]=4 3711 B12R1.62 O=C1CC(O1)CNCCCCO 96cc7336f27c1433957602ab8e3493e3 [0,0,0,1,0,0|2,0,1]=4 3712 B12R1.62 O=C1CC(O1)CNCCCCS 06ee03ed53068abe1e83eb91d3bc8f14 [0,0,0,1,0,0|2,0,1]=4 3713 B12R1.62 O=C1CC(O1)COCCCCF 27f27eacfc770b869bf9ecc49f86af0d [0,0,0,1,0,0|2,0,1]=4 3714 B12R1.62 O=C1CC(O1)COCCCCS caae2cf869405c7b9d0f7aa642c81a9e [0,0,0,1,0,0|2,0,1]=4 3715 B12R1.62 O=CCCCCOC1CC(=O)C1 2ef2e57f13d98bd3a55ba4fde7b85891 [0,0,0,1,0,0|3,0,0]=4 3716 B12R1.62 O=CCCCOCC1CC(=O)C1 c63d864563660cbd40fe5414a462e32d [0,0,0,1,0,0|3,0,0]=4 3717 B12R1.62 O=CCCCOCC1CC(=O)N1 a798d075767887fd42671c067b200002 [0,0,0,1,0,0|3,0,0]=4 3718 B12R1.62 O=CCCCOCC1CC(=O)O1 870ea7af1eecfba1ed4fa73ad5edca06 [0,0,0,1,0,0|2,0,0]=3 3719 B12R1.62 O=CCCCOC[C@@H]1CC(=O)N1 8e3b5dd5d29049bfc987ea2727b72735 [0,0,0,1,0,0|3,0,0]=4 3720 B12R1.62 O=CCCCOC[C@H]1CC(=O)N1 d52de3df1df49e04c1a6739a3190f47d [0,0,0,1,0,0|3,0,0]=4 3721 B12R1.62 O=CNCCOCC1CC(=O)O1 d7ad9deb3fe23025e8015a57260413a4 [0,0,0,1,0,0|3,0,0]=4 3722 B12R1.62 O=COCCOCC1CC(=O)O1 1ff10088802f63b6f43fb8fa04d5b0ef [0,0,0,1,0,0|3,0,0]=4 3723 B12R1.75 C#CC1CCCCN1CC(=O)O ca02edee913c4e611efe6aa2a6c303d8 [0,0,0,1,0,0|1,0,2]=4 3724 B12R1.75 CCC1CCCCN1CC(=O)O 927c1ccdc3bc10095f1cfa6f4f5ae3e1 [0,0,0,1,0,0|1,0,2]=4 3725 B12R1.75 CCN1CCCCC1CC(=O)O c3002eeca6985d258459f1a392e0c8f3 [0,0,0,1,0,0|1,0,2]=4 3726 B12R1.75 CCN1CCCC[C@H]1CC(=O)O 22529d59a874477d2e853ae063f37cd0 [0,0,0,1,0,0|1,0,2]=4 3727 B12R1.75 CC[C@@H]1CCCCN1CC(=O)O 3af3611fb81c94d9cdc25441a542c595 [0,0,0,1,0,0|1,0,2]=4 3728 B12R1.75 CC[C@H]1CCCCN1CC(=O)O d53cd7f8b90743d8db50d82ed6978893 [0,0,0,1,0,0|1,0,2]=4 3729 B12R1.75 N#CC1CCCCN1CC(=O)O b600f36cf81ec0c0e96b03d229224f26 [0,0,0,1,0,0|2,0,1]=4 3730 B12R1.75 N#C[C@@H]1CCCCN1CC(=O)O 1d4769910115ae477450eeeb69f2188b [0,0,0,1,0,0|2,0,1]=4 3731 B12R1.75 N#C[C@H]1CCCCN1CC(=O)O 95d25423a6486d09d138641fb8e0b4f1 [0,0,0,1,0,0|2,0,1]=4 3732 B12R1.75 NC(=O)CC1CCCCN1C=O 49100e660e58144890a904fa8908e58d [0,0,0,1,0,0|3,0,0]=4 3733 B12R1.75 NC(=O)CN1CCCCC1C=O 7b9ad0e457187dbf7d7956da7bedc93e [0,0,0,1,0,0|3,0,0]=4 3734 B12R1.75 NC(=O)C[C@@H]1CCCCN1C=O 7556025554c2b784c2fa88de9e7c8d3a [0,0,0,1,0,0|3,0,0]=4 3735 B12R1.75 NC(=O)C[C@H]1CCCCN1C=O e3463c951efacc410efc354ac83325a8 [0,0,0,1,0,0|3,0,0]=4 3736 B12R1.75 O=C(O)CC1CCCCN1CF d9873bba51903a735e98fed234679270 [0,0,0,1,0,0|2,0,1]=4 3737 B12R1.75 O=C(O)CC1CCCCN1CO a512b66c2706fef5ec5dbf05211c7f15 [0,0,0,1,0,0|2,0,1]=4 3738 B12R1.75 O=C(O)CN1CCCCC1CO 24730fe2a5dad4021a8efbf6bfe6f2f0 [0,0,0,1,0,0|2,0,1]=4 3739 B12R1.75 O=C(O)CN1CCCC[C@@H]1CO f02599132378e21e112fb47f512c0693 [0,0,0,1,0,0|2,0,1]=4 3740 B12R1.75 O=C(O)CN1CCCC[C@H]1CO 2e75eba972cb3b77b831e98b0c2d4876 [0,0,0,1,0,0|2,0,1]=4 3741 B12R1.75 O=C(O)C[C@@H]1CCCCN1CF 3b18bcfdbf0bc7d0d3ce7e93874b0b04 [0,0,0,1,0,0|2,0,1]=4 3742 B12R1.75 O=C(O)C[C@@H]1CCCCN1CO aa1a54b51507b3e52b206a6cd96f4ee3 [0,0,0,1,0,0|2,0,1]=4 3743 B12R1.75 O=CC1CCCCN1CC(=O)O 73e0098177836bf54b3c5ac1b2ddb51e [0,0,0,1,0,0|2,0,0]=3 3744 B12R1.81 C#CC1CCCC1OCC(=O)O cabe5cc37c83c3e893f754732ad83149 [0,0,0,1,0,0|1,0,2]=4 3745 B12R1.81 C#CC1CCCN1CCC(=O)O 76f01801b003ad439a8ce7b199c211ca [0,0,0,1,0,0|1,0,2]=4 3746 B12R1.81 CCC1CCCN1CCC(=O)O 6fd26b1257841ac9411640158a4963ae [0,0,0,1,0,0|1,0,2]=4 3747 B12R1.81 CC[C@@H]1CCCN1CCC(=O)O 05f49e8eeac7fc554f0b84d208ced826 [0,0,0,1,0,0|1,0,2]=4 3748 B12R1.81 CC[C@@H]1CCC[C@H]1NCC(=O)O 9a71e551b56a84dc0fe615135c1bb943 [0,0,0,1,0,0|1,0,2]=4 3749 B12R1.81 COC1CCCC1NCC(=O)O 842088ba725dc56a01e6f6ca0ed913e8 [0,0,0,1,0,0|2,0,1]=4 3750 B12R1.81 COC1CCCN1CCC(=O)O c83531889a1fa6238395f260deb2b291 [0,0,0,1,0,0|2,0,1]=4 3751 B12R1.81 CO[C@@H]1CCC[C@@H]1NCC(=O)O b3114891fe5a4467e1481e6ef4062f61 [0,0,0,1,0,0|2,0,1]=4 3752 B12R1.81 CO[C@@H]1CCC[C@H]1NCC(=O)O 25e61c0b7f9d4051c141b2b681938105 [0,0,0,1,0,0|2,0,1]=4 3753 B12R1.81 CO[C@H]1CCC[C@@H]1NCC(=O)O 9ad011ee5e78c0c81a3930bd43d33ebd [0,0,0,1,0,0|2,0,1]=4 3754 B12R1.81 N#CC1CCCC1OCC(=O)O 5122cf68ea672da22669492d97221f0d [0,0,0,1,0,0|2,0,1]=4 3755 B12R1.81 N#CC1CCCN1CCC(=O)O dbcd2892e0c1c4c44097c15ca1c8f74d [0,0,0,1,0,0|2,0,1]=4 3756 B12R1.81 N#C[C@@H]1CCCN1CCC(=O)O d33551e3a79f2aa92639223975acf7a5 [0,0,0,1,0,0|2,0,1]=4 3757 B12R1.81 N#C[C@@H]1CCC[C@@H]1NCC(=O)O 876470149d0332f6e12821920608c772 [0,0,0,1,0,0|2,0,1]=4 3758 B12R1.81 N#C[C@@H]1CCC[C@H]1OCC(=O)O 9d02ad57e6a3238cbb3a5b27a3cdf3eb [0,0,0,1,0,0|2,0,1]=4 3759 B12R1.81 O=C(O)CCN1CCCC1CO bd34e4b437241d68844e7b11a5d6061d [0,0,0,1,0,0|2,0,1]=4 3760 B12R1.81 O=C(O)CCN1CCC[C@@H]1CF 0a07448ac20c35ce97c77a9184c800e4 [0,0,0,1,0,0|2,0,1]=4 3761 B12R1.81 O=C(O)CCN1CCC[C@@H]1CO b3ac659c89bcd3798a3474ccd2eff0cc [0,0,0,1,0,0|2,0,1]=4 3762 B12R1.81 O=C(O)CCN1CCC[C@H]1CF 8d3467211a21265473d521947d392dcb [0,0,0,1,0,0|2,0,1]=4 3763 B12R1.81 O=C(O)CCN1CCC[C@H]1CO 5cdf2130f5933655bc89de3d74c455a5 [0,0,0,1,0,0|2,0,1]=4 3764 B12R1.81 O=C(O)CN[C@H]1CCC[C@H]1CO 606e016ae244f5ae050a92153e9d646c [0,0,0,1,0,0|2,0,1]=4 3765 B12R1.125 CC(=O)CNC1CCCCC1=O a377f22d1b39ec77a040a8541623200f [0,0,0,1,0,0|3,0,0]=4 3766 B12R1.125 CC1CCCCC1NCC(=O)O b09a7a7f6b8cbd436b25a37fb8d89cda [0,0,0,1,0,0|1,0,2]=4 3767 B12R1.125 CC1CCCCC1OCC(=O)O abf18bab3fd3a06a5323de49c56b5de2 [0,0,0,1,0,0|1,0,2]=4 3768 B12R1.125 CC1CCCCN1CCC(=O)O f1ed9228421a1404653422ac85334fbc [0,0,0,1,0,0|1,0,2]=4 3769 B12R1.125 C[C@@H]1CCCCN1CCC(=O)O a33fdbbb9f1952959ad035ffb902a3f2 [0,0,0,1,0,0|1,0,2]=4 3770 B12R1.125 C[C@@H]1CCCC[C@@H]1NCC(=O)O 7632a5bf53c142e4580acf93ede82a57 [0,0,0,1,0,0|1,0,2]=4 3771 B12R1.125 C[C@@H]1CCCC[C@@H]1OCC(=O)O 058100008c8586337bed34eca6a04016 [0,0,0,1,0,0|1,0,2]=4 3772 B12R1.125 C[C@@H]1CCCC[C@H]1NCC(=O)O 5c454eb124ce5b3d92889a06237e847f [0,0,0,1,0,0|1,0,2]=4 3773 B12R1.125 C[C@H]1CCCCN1CCC(=O)O c9290f325501f9baa3b2ecc780bc54a2 [0,0,0,1,0,0|1,0,2]=4 3774 B12R1.125 C[C@H]1CCCC[C@@H]1NCC(=O)O 40f0f18769643cee425fe491ed7a5613 [0,0,0,1,0,0|1,0,2]=4 3775 B12R1.125 C[C@H]1CCCC[C@@H]1OCC(=O)O 044aed10f4c3c89ecd76d791a1612e14 [0,0,0,1,0,0|1,0,2]=4 3776 B12R1.125 C[C@H]1CCCC[C@H]1NCC(=O)O 0ab6a34fb8a428f99e931db1915c7a5d [0,0,0,1,0,0|1,0,2]=4 3777 B12R1.125 C[C@H]1CCCC[C@H]1OCC(=O)O 4ba3c5ece2b751a10a26e800b7b556bd [0,0,0,1,0,0|1,0,2]=4 3778 B12R1.125 NC(=O)CNC1CCCCC1=O 734e4645b1306e469f47dd1df36ec2d7 [0,0,0,1,0,0|3,0,0]=4 3779 B12R1.125 NC(=O)COC1CCCCC1=O 3c6c8ffba94802aa85981dc78e958286 [0,0,0,1,0,0|3,0,0]=4 3780 B12R1.125 O=C(O)CNC1CCCCC1F 0fe76f7b862f12575645294fdaa05021 [0,0,0,1,0,0|2,0,1]=4 3781 B12R1.125 O=C(O)CNC1CCCCC1O 2cd4bfe0f72606ee80ce52d63c64ed6e [0,0,0,1,0,0|2,0,1]=4 3782 B12R1.125 O=C(O)CNC1CCCNC1=O 068a282878b9860cc85e988dcd33a2ab [0,0,0,1,0,0|3,0,0]=4 3783 B12R1.125 O=C(O)CNC1SCCCC1=O 28972401f0688c9337339c0e1a4204fa [0,0,0,1,0,0|3,0,0]=4 3784 B12R1.125 O=C(O)CN[C@@H]1CCCC[C@H]1O 69b9f83ab05871a940451e7c3815139c [0,0,0,1,0,0|2,0,1]=4 3785 B12R1.125 O=C(O)CN[C@@H]1CCCNC1=O 2bbb499099abc1a13b76c5f631231419 [0,0,0,1,0,0|3,0,0]=4 3786 B12R1.125 O=C(O)CN[C@H]1CCCC[C@@H]1O 81ee166f9afa274eecd6613ec6bb178c [0,0,0,1,0,0|2,0,1]=4 3787 B12R1.125 O=C(O)CN[C@H]1CCCC[C@H]1O bf04e0698dbfddffbbecbda08fb94cd4 [0,0,0,1,0,0|2,0,1]=4 3788 B12R1.125 O=C(O)CN[C@H]1CCCNC1=O ba17b75ae8ecbb376c8b86a9a7744220 [0,0,0,1,0,0|3,0,0]=4 3789 B12R1.125 O=C(O)COC1CCCC=C1Br 092dcaf085763eab6c06007ef37bff96 [0,0,0,1,0,0|2,0,1]=4 3790 B12R1.125 O=C(O)COC1CCCCC1=O a26594c11ae1178bfed3dcdada85908c [0,0,0,1,0,0|2,0,0]=3 3791 B12R1.125 O=C(O)COC1CCCCC1F 7450e377d501afea5783005dc59e6f5b [0,0,0,1,0,0|2,0,1]=4 3792 B12R1.125 O=C(O)COC1CCCNC1=O 220483747a916027e90443b24c867474 [0,0,0,1,0,0|3,0,0]=4 3793 B12R1.125 O=C(O)COC1CCCOC1=O 681eb477e7bd91d0f85009379ef3e052 [0,0,0,1,0,0|3,0,0]=4 3794 B12R1.125 O=C(O)COC1SCCCC1=O f5708c5d630da8b9903552667a77750a [0,0,0,1,0,0|3,0,0]=4 3795 B12R1.125 O=C(O)CO[C@@H]1CCCC[C@H]1F 0d39ddfede57a04949d271fa58f1c3d0 [0,0,0,1,0,0|2,0,1]=4 3796 B12R1.125 O=C(O)CO[C@@H]1CCCNC1=O 1fbb5cc4c553e0555ba2174396e085af [0,0,0,1,0,0|3,0,0]=4 3797 B12R1.125 O=C(O)CO[C@H]1CCCNC1=O 36d85098b1ff897ce3ceb6e6a17c6b53 [0,0,0,1,0,0|3,0,0]=4 3798 B12R1.130 CC(=O)CCOC1CCCC1=O 2e7bd6e0d76e424877ed4b699dbab07f [0,0,0,1,0,0|3,0,0]=4 3799 B12R1.130 CC1CCCC1COCC(=O)O 5d747dc77f69b0ec1ca2e97827cb59a5 [0,0,0,1,0,0|1,0,2]=4 3800 B12R1.130 CC1CCCC1OCCC(=O)O 56a676c9348d4a291a6176d63e2ef24f [0,0,0,1,0,0|1,0,2]=4 3801 B12R1.130 CC1CCCN1CCCC(=O)O 4ab47bf7f7a600f154632a8b1ae321e6 [0,0,0,1,0,0|1,0,2]=4 3802 B12R1.130 CN1CCCC1CNCC(=O)O 0f1c7a8f66738fe9021c4a9ecfdb8910 [0,0,0,1,0,0|2,0,1]=4 3803 B12R1.130 CN1CCCC1COCC(=O)O de5a50331a98705af9eec2e7299579f3 [0,0,0,1,0,0|2,0,1]=4 3804 B12R1.130 CN1CCC[C@@H]1CNCC(=O)O a8a7f05ab7636eab5233e9706b897bda [0,0,0,1,0,0|2,0,1]=4 3805 B12R1.130 CN1CCC[C@@H]1COCC(=O)O 41fd151b9e73f6894f3921889e44f85b [0,0,0,1,0,0|2,0,1]=4 3806 B12R1.130 CN1CCC[C@H]1CNCC(=O)O 484548520fafea91397f311e1c116145 [0,0,0,1,0,0|2,0,1]=4 3807 B12R1.130 CN1CCC[C@H]1COCC(=O)O e2071f422b14d6b34602341e5209ed92 [0,0,0,1,0,0|2,0,1]=4 3808 B12R1.130 C[C@@H]1CCCN1CCCC(=O)O 668734cdbcb71bf415fa2c681e572718 [0,0,0,1,0,0|1,0,2]=4 3809 B12R1.130 C[C@@H]1CCC[C@@H]1OCCC(=O)O 5a5ecffa7effcc121266ff800207ec13 [0,0,0,1,0,0|1,0,2]=4 3810 B12R1.130 C[C@@H]1CCC[C@H]1OCCC(=O)O 08fc9aac06b6f43e522f643cf1b1b1f3 [0,0,0,1,0,0|1,0,2]=4 3811 B12R1.130 C[C@H]1CCCN1CCCC(=O)O 6d13ef1e639c38c80ed29a186c3fc3ae [0,0,0,1,0,0|1,0,2]=4 3812 B12R1.130 C[C@H]1CCC[C@@H]1OCCC(=O)O 3a7b18a9f03c4de5bec7c30bf0be3457 [0,0,0,1,0,0|1,0,2]=4 3813 B12R1.130 C[C@H]1CCC[C@H]1OCCC(=O)O 92b80d798b8af41bd97490339c211682 [0,0,0,1,0,0|1,0,2]=4 3814 B12R1.130 NC(=O)CCNC1CCCC1=O 327564dbc795ca76fa50c24066b41aec [0,0,0,1,0,0|3,0,0]=4 3815 B12R1.130 NC(=O)CCOC1CCCC1=O e0f2c300443304b0a3f8956cd5c8ba9e [0,0,0,1,0,0|3,0,0]=4 3816 B12R1.130 NC(=O)COCC1CCCC1=O de1d69de25551c10ebca5298feb02ea6 [0,0,0,1,0,0|3,0,0]=4 3817 B12R1.130 O=C(O)CCCN1CCCC1O efa97648a71c6c6802fdbae1e4a2e38b [0,0,0,1,0,0|2,0,1]=4 3818 B12R1.130 O=C(O)CCNC1CCCC1O e93c1f250cfd177c800a3fb006fce076 [0,0,0,1,0,0|2,0,1]=4 3819 B12R1.130 O=C(O)CCNC1CCNC1=O 0ca6b6c65bf9d5cba431495df665ff00 [0,0,0,1,0,0|3,0,0]=4 3820 B12R1.130 O=C(O)CCNC1CCSC1=O b85112a7653d8e4c076db93ee27e57d7 [0,0,0,1,0,0|3,0,0]=4 3821 B12R1.130 O=C(O)CCN[C@@H]1CCC[C@@H]1O 7e223b46e95b73c1b562fed7eff28c68 [0,0,0,1,0,0|2,0,1]=4 3822 B12R1.130 O=C(O)CCN[C@@H]1CCC[C@H]1O 89a1011a7c6dbcfd8915d969e92cc18f [0,0,0,1,0,0|2,0,1]=4 3823 B12R1.130 O=C(O)CCN[C@@H]1CCNC1=O 7105fe2f4a781d3cab2923178b27e33f [0,0,0,1,0,0|3,0,0]=4 3824 B12R1.130 O=C(O)CCN[C@@H]1CCOC1=O 1f8bddd620ae69ff3d4d2851a5972572 [0,0,0,1,0,0|3,0,0]=4 3825 B12R1.130 O=C(O)CCN[C@H]1CCC[C@@H]1O b692a1f0b2a95e76e5134fad8dbc7c0b [0,0,0,1,0,0|2,0,1]=4 3826 B12R1.130 O=C(O)CCN[C@H]1CCC[C@H]1O 2ba7bfa80c6acdfa1706fb94b98a809c [0,0,0,1,0,0|2,0,1]=4 3827 B12R1.130 O=C(O)CCN[C@H]1CCNC1=O 8768d0fe1a308862b51e0ea59b3391ac [0,0,0,1,0,0|3,0,0]=4 3828 B12R1.130 O=C(O)CCN[C@H]1CCOC1=O be6b42835ca51d00cb930f09b0af1cc7 [0,0,0,1,0,0|3,0,0]=4 3829 B12R1.130 O=C(O)CCOC1CCCC1=O c8d4b07715e21387ad5a05cac6387141 [0,0,0,1,0,0|2,0,0]=3 3830 B12R1.130 O=C(O)CCOC1CCNC1=O b25f88eb67fba2ab738150d1b4064e1a [0,0,0,1,0,0|3,0,0]=4 3831 B12R1.130 O=C(O)CCO[C@@H]1CCC[C@H]1F b18486c23a36952f40b6d548d87dcc5a [0,0,0,1,0,0|2,0,1]=4 3832 B12R1.130 O=C(O)CCO[C@@H]1CCNC1=O d72fd3ddc93746adb61d1e8b07b32047 [0,0,0,1,0,0|3,0,0]=4 3833 B12R1.130 O=C(O)CCO[C@H]1CCNC1=O 7bffb516bcfc9aa24b31c3ebb8d10fee [0,0,0,1,0,0|3,0,0]=4 3834 B12R1.130 O=C(O)CNCC1CCCC1O 6a300e5d9c2aa4e7b9f44028f25ce650 [0,0,0,1,0,0|2,0,1]=4 3835 B12R1.130 O=C(O)CNCC1CCNC1=O fff9812d1e19977631b43661b78eefae [0,0,0,1,0,0|3,0,0]=4 3836 B12R1.130 O=C(O)CNCN1CCCC1=O 7e1ec5d6425f6e5f6d24683e86fc0c08 [0,0,0,1,0,0|3,0,0]=4 3837 B12R1.130 O=C(O)COCC1CCCC1=O ec6faa7d2ef72c54777a4ec8ba3ae260 [0,0,0,1,0,0|2,0,0]=3 3838 B12R1.130 O=C(O)COCC1CCNC1=O bf5e388884c771901cddb9b8be5b284a [0,0,0,1,0,0|3,0,0]=4 3839 B12R1.130 O=C(O)COCN1CCCC1=O 3d782b0ee2b454443ed22ec77bd2041b [0,0,0,1,0,0|3,0,0]=4 3840 B12R1.130 O=C(O)COC[C@@H]1CCC[C@H]1F 44437794a3a7c611d1cb1c09e50bda50 [0,0,0,1,0,0|2,0,1]=4 3841 B12R1.143 C=C(C)CCCOCC1CC1=C b2a7f0d4bfe8febf8cb6caa5edc122eb [0,0,0,1,0,0|3,0,0]=4 3842 B12R1.143 C=C1CC1COC/C=C/C(=O)O 023f98e67b5686b0260c32c487da618b [0,0,0,1,0,0|1,0,2]=4 3843 B12R1.143 C=C1CC1COCC=CC(=O)O 3ef29274fac7d38510d53ab9e818e9b0 [0,0,0,1,0,0|1,0,2]=4 3844 B12R1.143 C=C1CC1COCCCC(=O)C abbadd0468fe44eb34df0a15a7115db3 [0,0,0,1,0,0|2,0,0]=3 3845 B12R1.143 C=C1CC1COCCCC(=O)N d3b77e3b29a6d71ea65d3d9e174bee16 [0,0,0,1,0,0|2,0,0]=3 3846 B12R1.143 C=C1CC1COCCCC(=O)O db7a183eef33133cf5b1eff89c25c5fe [0,0,0,1,0,0|1,0,0]=2 3847 B12R1.143 C=C1CC1COCCC[N+](=O)[O-] 0d3bdd042ca2b24e7056684ccba2c72a [0,0,0,1,0,0|2,0,1]=4 3848 B12R1.143 C=C1CC1COCCNC(=O)C a72209baf2d21b83cceed01c6feb71ea [0,0,0,1,0,0|3,0,0]=4 3849 B12R1.143 C=C1CC1COCCNC(=O)N e771838e9fb2c9548580c5e23bab15cd [0,0,0,1,0,0|3,0,0]=4 3850 B12R1.143 C=C1CC1COCCOC(=O)C 166ac8d5e62bdc2350a7bfe88885ea71 [0,0,0,1,0,0|3,0,0]=4 3851 B12R1.143 C=C1CC1COCCSC(=O)C a1ba02c8b960b9fe39d4aee98138a426 [0,0,0,1,0,0|3,0,0]=4 3852 B12R1.143 CC1CC1COCCCC(=O)O 6035d8c58cc1ce90a6456790cbff342f [0,0,0,1,0,0|1,0,2]=4 3853 B12R1.143 CC1CC1NCCCCC(=O)O 0f16b0427d6ce6178d2dbb892215b39a [0,0,0,1,0,0|1,0,2]=4 3854 B12R1.143 C[C@@H]1C[C@H]1COCCCC(=O)O e1b316f49ab33a5e2379ed02e211735e [0,0,0,1,0,0|1,0,2]=4 3855 B12R1.143 C[C@H]1C[C@@H]1COCCCC(=O)O 60b4ea2f2c06aed11bbad4fc3189baaa [0,0,0,1,0,0|1,0,2]=4 3856 B12R1.143 C[C@H]1C[C@H]1COCCCC(=O)O abff6659801b457839b67e942e9f2a2c [0,0,0,1,0,0|1,0,2]=4 3857 B12R1.143 O=C(O)CCCCN[C@@H]1C[C@H]1F 51391aaab5549083b5668c49cfc41a3a [0,0,0,1,0,0|2,0,1]=4 3858 B12R1.143 O=C(O)CCCCN[C@H]1C[C@@H]1F c13efa7c1aaf3122fa441619b376d091 [0,0,0,1,0,0|2,0,1]=4 3859 B12R1.143 O=C(O)CCCCN[C@H]1C[C@H]1F c6977f7de01a6cfbdb34997840f35899 [0,0,0,1,0,0|2,0,1]=4 3860 B12R1.143 O=C(O)CCCOC[C@@H]1C[C@@H]1F 37850e6f0706e6ef7dc19c72487e7e6b [0,0,0,1,0,0|2,0,1]=4 3861 B12R1.143 O=C(O)CCCOC[C@@H]1C[C@H]1F deea1189434eabcb14e93b4dbb0fde6d [0,0,0,1,0,0|2,0,1]=4 3862 B12R1.143 O=C(O)CCCOC[C@H]1C[C@@H]1F 9aac9b95d9f356d20d55a1201d00b0d6 [0,0,0,1,0,0|2,0,1]=4 3863 B12R1.143 O=C(O)CCCOC[C@H]1C[C@H]1F 908f8de97b777ed0e5912c9d38a8e474 [0,0,0,1,0,0|2,0,1]=4 3864 B12R1.162 COCC1CCN1CCC(=O)O 7005144f56b54fed23b75d61614f4684 [0,0,0,1,0,0|2,0,1]=4 3865 B12R1.162 COC[C@@H]1CCN1CCC(=O)O ee3a4487e0082c18533c225ffddff8f5 [0,0,0,1,0,0|2,0,1]=4 3866 B12R1.162 COC[C@H]1CCN1CCC(=O)O fa7234543163201d08fbba01c3fc3271 [0,0,0,1,0,0|2,0,1]=4 3867 B12R1.162 O=C(O)CCN1CCC1CCO b9fa8e1df47e2deb4b6f76d3f259b48d [0,0,0,1,0,0|2,0,1]=4 3868 B12R1.188 COC[C@@H]1C[C@@H]1NCCC(=O)O 8d17b0757085bb88eac43343c9e1a826 [0,0,0,1,0,0|2,0,1]=4 3869 B12R1.188 COC[C@H]1C[C@@H]1NCCC(=O)O 2e8f83420de3d1b7ed297819f353b5fd [0,0,0,1,0,0|2,0,1]=4 3870 B12R1.210 CC1CCCCCN1CC(=O)O 32a1dc2217e57877c80e95a979b40d16 [0,0,0,1,0,0|1,0,2]=4 3871 B12R1.229 CC(=O)CCCOC1CCC1=O 499eddd9e7749067d88e5064b943005b [0,0,0,1,0,0|3,0,0]=4 3872 B12R1.229 CC(=O)CCOCC1CCC1=O ba32f1846cd0ed81e930a70fdef73fab [0,0,0,1,0,0|3,0,0]=4 3873 B12R1.229 CC(=O)CNCCC1CCC1=O d90b1e759d28226062ad90ccdf341f84 [0,0,0,1,0,0|3,0,0]=4 3874 B12R1.229 CC(=O)COCCC1CCC1=O a1c0782015ef42cd0795b9f2437a9e44 [0,0,0,1,0,0|3,0,0]=4 3875 B12R1.229 CN1CCC1CNCCC(=O)O c71f992cd844fff99bbbd4c84ca513f7 [0,0,0,1,0,0|2,0,1]=4 3876 B12R1.229 CN1CCC1COCCC(=O)O 5ba2eb2c34b61d4c5d543afad4726141 [0,0,0,1,0,0|2,0,1]=4 3877 B12R1.229 CN1CC[C@@H]1COCCC(=O)O df4ceb091af7a65ca583aa4a752587f6 [0,0,0,1,0,0|2,0,1]=4 3878 B12R1.229 CN1CC[C@H]1COCCC(=O)O 00922ca62d4e383dca53117cb6227737 [0,0,0,1,0,0|2,0,1]=4 3879 B12R1.229 C[C@@H]1CC[C@@H]1NCCCC(=O)O 4c9067773c0d714dbacc323c077e4124 [0,0,0,1,0,0|1,0,2]=4 3880 B12R1.229 C[C@@H]1CC[C@H]1NCCCC(=O)O a7d50323b924d74a01366ddd9cf91e00 [0,0,0,1,0,0|1,0,2]=4 3881 B12R1.229 NC(=O)CCOCC1CCC1=O fc51d52efd7cd59cc5f2d6f011b9be34 [0,0,0,1,0,0|3,0,0]=4 3882 B12R1.229 NC(=O)CNCCC1CCC1=O ab0a190bc64b45b2330b9f06f9e94ba8 [0,0,0,1,0,0|3,0,0]=4 3883 B12R1.229 NC(=O)COCCC1CCC1=O 290bb18d7abd63c909609fae091a418f [0,0,0,1,0,0|3,0,0]=4 3884 B12R1.229 O=C(O)CCCNC1CCC1F bf54b568a4f22cf655e22c73d2258a91 [0,0,0,1,0,0|2,0,1]=4 3885 B12R1.229 O=C(O)CCCNC1CCC1O e5ffcad87bc21bcd1662d40a29f06499 [0,0,0,1,0,0|2,0,1]=4 3886 B12R1.229 O=C(O)CCCN[C@@H]1CC[C@@H]1O 672e46ba714fd029590ad63f0e2dd438 [0,0,0,1,0,0|2,0,1]=4 3887 B12R1.229 O=C(O)CCCN[C@@H]1CC[C@H]1O a71b5f5e9b0860651cde1b88c85d702b [0,0,0,1,0,0|2,0,1]=4 3888 B12R1.229 O=C(O)CCCN[C@H]1CC[C@@H]1O ff68eac0f1c3bcd0b592ff1cd9d88729 [0,0,0,1,0,0|2,0,1]=4 3889 B12R1.229 O=C(O)CCCN[C@H]1CC[C@H]1O ab16c8b1e6b2a05582c065c517ff1929 [0,0,0,1,0,0|2,0,1]=4 3890 B12R1.229 O=C(O)CCCN[C@H]1CNC1=O 4a15a86bfaf547d46fb57aa5a734603c [0,0,0,1,0,0|3,0,0]=4 3891 B12R1.229 O=C(O)CCNCC1COC1=O f541a0d2fa3d84301fa09e74bcd42cc6 [0,0,0,1,0,0|3,0,0]=4 3892 B12R1.229 O=C(O)CCOCC1CCC1=O e7217f534eb2e1b11fd19c3bd0026f82 [0,0,0,1,0,0|2,0,0]=3 3893 B12R1.229 O=C(O)CCOCC1CCC1F 9f6d2507853c0b103e336bb6a3ade9b6 [0,0,0,1,0,0|2,0,1]=4 3894 B12R1.229 O=C(O)CCOCC1COC1=O 1a43f3ac8cb115c22d087a9c46a3ead6 [0,0,0,1,0,0|3,0,0]=4 3895 B12R1.229 O=C(O)CNCCC1CCC1=O abb9435f35487792de2ee5b750d69784 [0,0,0,1,0,0|2,0,0]=3 3896 B12R1.229 O=C(O)COCCC1CCC1=O 4dbb5e9c52bc71a1907e517a853e2aba [0,0,0,1,0,0|2,0,0]=3 3897 B12R1.229 O=C1CCC1CCOCS(=O)O 89ee4e14ffccf80b0e59792e7bf923b0 [0,0,0,1,0,0|3,0,0]=4 3898 B12R1.252 C=C(Br)CCOC1C=CCCC1 f5a5163f26a76e8555d40a8a84744dc0 [0,0,0,1,0,0|3,0,0]=4 3899 B12R1.252 C=C(C)CCNC1C=CCCC1 3c83699b4350e301997bae64fa11ec70 [0,0,0,1,0,0|3,0,0]=4 3900 B12R1.252 C=C(C)CCOC1C=CCCC1 61009638c6bf4fa926b9775d0d2a86cb [0,0,0,1,0,0|3,0,0]=4 3901 B12R1.252 CC(=O)CCNC1C=CCCC1 340dbdab7e86c349d81a3f3ac218025f [0,0,0,1,0,0|2,0,0]=3 3902 B12R1.252 CC(=O)CCOC1C=CCCC1 9b22d817e36a8a0aa709b2e148d178d0 [0,0,0,1,0,0|2,0,0]=3 3903 B12R1.252 CC(=O)NCOC1C=CCCC1 f73d28b0a2d6e6920331045c04d34660 [0,0,0,1,0,0|3,0,0]=4 3904 B12R1.252 CC(=O)OCNC1C=CCCC1 e9f0e4459185050f156390bf5e8b2e72 [0,0,0,1,0,0|3,0,0]=4 3905 B12R1.252 CC(=O)OCOC1C=CCCC1 e434e1014945394bdd264eee33e1b5a5 [0,0,0,1,0,0|3,0,0]=4 3906 B12R1.252 CC(O)CCNC1C=CCCC1 74997462aa5b54b028b0dde2f480b503 [0,0,0,1,0,0|2,0,1]=4 3907 B12R1.252 CS(=O)CCNC1C=CCCC1 de16b23f5514edcd471be6297f692ab7 [0,0,0,1,0,0|3,0,0]=4 3908 B12R1.252 CS(=O)CCOC1C=CCCC1 8359ba5d74fb5892a400c5c422cff47c [0,0,0,1,0,0|3,0,0]=4 3909 B12R1.252 C[C@@H](O)CCNC1C=CCCC1 cca0fe6b1a27f996579d136dbd23badc [0,0,0,1,0,0|2,0,1]=4 3910 B12R1.252 C[C@H](O)CCNC1C=CCCC1 5de0c3a06efd4ac87765da06b2747e57 [0,0,0,1,0,0|2,0,1]=4 3911 B12R1.252 NC(=O)CCNC1C=CCCC1 5e55d4a9e4d07c622dfa37e6fea2da37 [0,0,0,1,0,0|2,0,0]=3 3912 B12R1.252 NC(=O)CCOC1C=CCCC1 63b1c87f00fdba8f00166a9ddfbcb1bd [0,0,0,1,0,0|2,0,0]=3 3913 B12R1.252 NC(=O)NCOC1C=CCCC1 c4a4df5bc8f13cd95ecaa4eb9b40c3ca [0,0,0,1,0,0|3,0,0]=4 3914 B12R1.252 NC(=O)SCNC1C=CCCC1 b02390f42664e1a0088f22590254ce2c [0,0,0,1,0,0|3,0,0]=4 3915 B12R1.252 NC(=O)SCOC1C=CCCC1 40838498c5f7b1b0b524feb290bddfa4 [0,0,0,1,0,0|3,0,0]=4 3916 B12R1.252 NC(=S)CCNC1C=CCCC1 497438514fed74de246105f6af7d269f [0,0,0,1,0,0|2,1,0]=4 3917 B12R1.252 O=C(O)CCCN1CC=CCC1 1237550516cafec62978e785e75e0a54 [0,0,0,1,0,0|1,0,2]=4 3918 B12R1.252 O=C(O)CCCN1CCCSC1 a87adf4d2221f4db5a30022b73442100 [0,0,0,1,0,0|2,0,1]=4 3919 B12R1.252 O=C(O)CCNC1C=CCCC1 decd1ee5a7e02399682e6d6f1010e718 [0,0,0,1,0,0|1,0,0]=2 3920 B12R1.252 O=C(O)CCNC1CCCCC1 f66ea53c90c672a0766bb4581e244543 [0,0,0,1,0,0|1,0,2]=4 3921 B12R1.252 O=C(O)CCNC1CCCCO1 1d0b66a0b5443c3f2d83397b7823a4e5 [0,0,0,1,0,0|2,0,1]=4 3922 B12R1.252 O=C(O)CCNC1CCCOC1 26858f9e315a2487fb44c06cca1eebc5 [0,0,0,1,0,0|2,0,1]=4 3923 B12R1.252 O=C(O)CCN[C@@H]1CCCOC1 49190e64755d0e5a64bfe36c561ba53b [0,0,0,1,0,0|2,0,1]=4 3924 B12R1.252 O=C(O)CCN[C@H]1CCCOC1 e73b4b7db7ab2fcca32c43c820813279 [0,0,0,1,0,0|2,0,1]=4 3925 B12R1.252 O=C(O)CCOC1C=CCCC1 e9afc6bd34372e9176a506b58b77ae9d [0,0,0,1,0,0|1,0,0]=2 3926 B12R1.252 O=C(O)CCOC1CC=CCC1 b83b751c891fc91399f15a7754255dff [0,0,0,1,0,0|1,0,2]=4 3927 B12R1.252 O=C(O)CCOC1CCCCC1 b3cd5f51484769f962d8ff5f20fc9a7e [0,0,0,1,0,0|1,0,2]=4 3928 B12R1.252 O=C(O)CCOC1CCCCO1 720b283b63bd1a76b4a182ac03b3ff0d [0,0,0,1,0,0|2,0,1]=4 3929 B12R1.252 O=C(O)CCOC1CCCOC1 1f071491379f13e42cd4d2be0986c7f8 [0,0,0,1,0,0|2,0,1]=4 3930 B12R1.252 O=C(O)CCOC1CCCSC1 ab75856a40577c3b1dbe0a0296bd84bb [0,0,0,1,0,0|2,0,1]=4 3931 B12R1.252 O=C(O)CCO[C@@H]1CCCOC1 c7049b0560329b8c2eff923903029ef6 [0,0,0,1,0,0|2,0,1]=4 3932 B12R1.252 O=C(O)CCO[C@H]1CCCOC1 8b521585454bb712f1c5cbd4a4f1f6b6 [0,0,0,1,0,0|2,0,1]=4 3933 B12R1.252 O=C(O)CNCC1=CCCCC1 769e78d9bfc629e90426b91caf3e6daf [0,0,0,1,0,0|1,0,2]=4 3934 B12R1.252 O=C(O)CNCC1CC=CCC1 6f6ab4e102a50c856a90b11ca04db3b6 [0,0,0,1,0,0|1,0,2]=4 3935 B12R1.252 O=C(O)CNCC1CCCCC1 06caf03ec055ddf04488cab225457e93 [0,0,0,1,0,0|1,0,2]=4 3936 B12R1.252 O=C(O)CNCC1CCCCO1 358a7855a489d883a1007d3f48b0b120 [0,0,0,1,0,0|2,0,1]=4 3937 B12R1.252 O=C(O)CNCC1CCCOC1 e1cff14f358accbd3adffc2ca85bd81a [0,0,0,1,0,0|2,0,1]=4 3938 B12R1.252 O=C(O)CNC[C@@H]1CCCOC1 553c73a9106a5c62f6a17ff92d019359 [0,0,0,1,0,0|2,0,1]=4 3939 B12R1.252 O=C(O)CNC[C@H]1CCCOC1 efb2526cd28e859353d66f0ffe141e28 [0,0,0,1,0,0|2,0,1]=4 3940 B12R1.252 O=C(O)COCC1CC=CCC1 49fe4b2780e81f10e6edd9df99742b7b [0,0,0,1,0,0|1,0,2]=4 3941 B12R1.252 O=C(O)COCC1CCC=CO1 3067e3b56d9e0feab45508cbbdb9b726 [0,0,0,1,0,0|2,0,1]=4 3942 B12R1.252 O=C(O)COCC1CCCCC1 2c67702fa501448667ee0f733c062aa5 [0,0,0,1,0,0|1,0,2]=4 3943 B12R1.252 O=C(O)COCC1CCCCO1 cced68f30a8d574a9150a11361cdfd9a [0,0,0,1,0,0|2,0,1]=4 3944 B12R1.252 O=C(O)COCC1CCCOC1 6b88785be7e46522d12fb2691e12c218 [0,0,0,1,0,0|2,0,1]=4 3945 B12R1.252 O=C(O)COC[C@@H]1CC=CCC1 4b13a079a53698cd712b3bd47c8a1b8f [0,0,0,1,0,0|1,0,2]=4 3946 B12R1.252 O=C(O)COC[C@@H]1CCCCO1 be0a317d0d4cb038d84718e0966c9499 [0,0,0,1,0,0|2,0,1]=4 3947 B12R1.252 O=C(O)COC[C@@H]1CCCOC1 0d5048d1c439d16c9f4cb5a256bc8b02 [0,0,0,1,0,0|2,0,1]=4 3948 B12R1.252 O=C(O)COC[C@H]1CC=CCC1 22809140942008d39f5fb8a3e6a61aed [0,0,0,1,0,0|1,0,2]=4 3949 B12R1.252 O=C(O)COC[C@H]1CCCCO1 985d7de9c3ec61a80ffa9ac3f9e9ecb6 [0,0,0,1,0,0|2,0,1]=4 3950 B12R1.252 O=C(O)COC[C@H]1CCCOC1 d965b3fd933a24f45b8e632fa33c5faa [0,0,0,1,0,0|2,0,1]=4 3951 B12R1.252 O=S(O)CCNC1C=CCCC1 3ab2a0abeb8c5bd06ee556e1455cac3d [0,0,0,1,0,0|2,0,0]=3 3952 B12R1.252 O=[N+]([O-])CCOC1C=CCCC1 71137ed5dae21d69177a1abd2a32be04 [0,0,0,1,0,0|2,0,1]=4 3953 B12R1.255 C=C(C)CCCOC1C=CCC1 c6ac51038031fff0deec6d7314af458f [0,0,0,1,0,0|3,0,0]=4 3954 B12R1.255 C=C(C)CCOCC1C=CCC1 e88a8b58ee71cda987f17b322f6f10f7 [0,0,0,1,0,0|3,0,0]=4 3955 B12R1.255 CC(=O)CCCOC1C=CCC1 3899a00dc5482da41c9378fdbd211172 [0,0,0,1,0,0|2,0,0]=3 3956 B12R1.255 CC(=O)CCOCC1C=CCC1 bb935606a3fdfd07e0f88a76c6754e8e [0,0,0,1,0,0|2,0,0]=3 3957 B12R1.255 CC(=O)NCCOC1C=CCC1 66ec0b17703b467ce10a91b4c65acd72 [0,0,0,1,0,0|3,0,0]=4 3958 B12R1.255 CC(=O)OCCOC1C=CCC1 a106d14876bf75123ac3ab59bea7d330 [0,0,0,1,0,0|3,0,0]=4 3959 B12R1.255 CC(=O)OCOCC1C=CCC1 da0f577e8a846b05f3b271d277221cbb [0,0,0,1,0,0|3,0,0]=4 3960 B12R1.255 CC(=O)SCCOC1C=CCC1 906e580548520821d2d4bc0f71a4172f [0,0,0,1,0,0|3,0,0]=4 3961 B12R1.255 CS(=O)CCOCC1C=CCC1 3f3bb141a2275da116487abb5cbf4c9d [0,0,0,1,0,0|3,0,0]=4 3962 B12R1.255 NC(=O)CCCOC1C=CCC1 6c8e60e8dd822045993ed2d391b4c430 [0,0,0,1,0,0|2,0,0]=3 3963 B12R1.255 NC(=O)CCOCC1C=CCC1 53e4680f070f8f624e846d60014c3b90 [0,0,0,1,0,0|2,0,0]=3 3964 B12R1.255 NC(=O)NCCOC1C=CCC1 4582139a63fa618ba91d7dd6a8183715 [0,0,0,1,0,0|3,0,0]=4 3965 B12R1.255 NC(=O)SCOCC1C=CCC1 8e8a70b816c44ab035b846d441ff8120 [0,0,0,1,0,0|3,0,0]=4 3966 B12R1.255 O=C(O)/C=C/COC1C=CCC1 1009692e91e40bf8f0de4ff6f8908f80 [0,0,0,1,0,0|1,0,2]=4 3967 B12R1.255 O=C(O)C=CCOC1C=CCC1 6ddae7f60d1458e0ad177e7acc2e8a57 [0,0,0,1,0,0|1,0,2]=4 3968 B12R1.255 O=C(O)CCCCN1CC=CC1 1da21527310345b16ee802cbd7e9aa57 [0,0,0,1,0,0|1,0,2]=4 3969 B12R1.255 O=C(O)CCCCN1CCSC1 ea92e3351883f9e39c16e8286a442c5c [0,0,0,1,0,0|2,0,1]=4 3970 B12R1.255 O=C(O)CCCNC1CC=CC1 2c2681c2ed7dfa192763459342e1ad2d [0,0,0,1,0,0|1,0,2]=4 3971 B12R1.255 O=C(O)CCCNC1CCOC1 e205be8551efc304e864a20040f3a6c1 [0,0,0,1,0,0|2,0,1]=4 3972 B12R1.255 O=C(O)CCCNC1CCSC1 2c7bc606a23bb4f66f969226eb4c0449 [0,0,0,1,0,0|2,0,1]=4 3973 B12R1.255 O=C(O)CCCN[C@@H]1CCOC1 8bb11e6f4aa656f5949b88a7f65c5532 [0,0,0,1,0,0|2,0,1]=4 3974 B12R1.255 O=C(O)CCCN[C@H]1CCOC1 4d78b864d02ba6ef9ad5d8cd8928b7b1 [0,0,0,1,0,0|2,0,1]=4 3975 B12R1.255 O=C(O)CCCOC1C=CCC1 a0239b0bdcdd284955ade9ed6e726010 [0,0,0,1,0,0|1,0,0]=2 3976 B12R1.255 O=C(O)CCCOC1CC=CC1 02d6f264fcbaa97d483364405bca64ac [0,0,0,1,0,0|1,0,2]=4 3977 B12R1.255 O=C(O)CCCOC1CCCC1 99bc43476fc63e5fbe03c71111b0689d [0,0,0,1,0,0|1,0,2]=4 3978 B12R1.255 O=C(O)CCNCC1CC=CC1 b43143040abade248de517e80b4a3046 [0,0,0,1,0,0|1,0,2]=4 3979 B12R1.255 O=C(O)CCNCC1CCCC1 4d18a330c62979fee5f0178a497f80d0 [0,0,0,1,0,0|1,0,2]=4 3980 B12R1.255 O=C(O)CCNCC1CCCO1 b9998d9abf88faeea7e3ae6ecc914431 [0,0,0,1,0,0|2,0,1]=4 3981 B12R1.255 O=C(O)CCNCC1CCOC1 5e3acc0b71c7029984d74168b738f0cd [0,0,0,1,0,0|2,0,1]=4 3982 B12R1.255 O=C(O)CCNC[C@@H]1CCCO1 b6ce0827552172f342e76dcffc2d9723 [0,0,0,1,0,0|2,0,1]=4 3983 B12R1.255 O=C(O)CCNC[C@@H]1CCOC1 a43caec2925af2b34c1ff2d6244e819a [0,0,0,1,0,0|2,0,1]=4 3984 B12R1.255 O=C(O)CCNC[C@H]1CCCO1 928b2bbbf87249324933b741c4e04cf6 [0,0,0,1,0,0|2,0,1]=4 3985 B12R1.255 O=C(O)CCNC[C@H]1CCOC1 30610ffd1852aca76f98ceb99ca724f0 [0,0,0,1,0,0|2,0,1]=4 3986 B12R1.255 O=C(O)CCOCC1C=CCC1 e33c02a7a9c2496b33c99d557b8ba57b [0,0,0,1,0,0|1,0,0]=2 3987 B12R1.255 O=C(O)CCOCC1CC=CC1 0d79a3a07312c7a49807346bc63fc495 [0,0,0,1,0,0|1,0,2]=4 3988 B12R1.255 O=C(O)CCOCC1CCCC1 988b046a92322d1038b6ce57d1132960 [0,0,0,1,0,0|1,0,2]=4 3989 B12R1.255 O=C(O)CCOCC1CCCO1 73195bb71364626a44f8f4661dea6a49 [0,0,0,1,0,0|2,0,1]=4 3990 B12R1.255 O=C(O)CCOCC1CCCS1 0566f33abb66e7b0f97e4ed2e3ead893 [0,0,0,1,0,0|2,0,1]=4 3991 B12R1.255 O=C(O)CCOCC1CCOC1 12f08f4fd4b9d2354155da6decaf1f1d [0,0,0,1,0,0|2,0,1]=4 3992 B12R1.255 O=C(O)CCOC[C@@H]1CCCO1 aa15fad0dbb6551c3cccee9b93ae1de6 [0,0,0,1,0,0|2,0,1]=4 3993 B12R1.255 O=C(O)CCOC[C@@H]1CCOC1 72491aac7b6df0b3d0613a75655582f3 [0,0,0,1,0,0|2,0,1]=4 3994 B12R1.255 O=C(O)CCOC[C@H]1CCCO1 c00099161393e23cdf42127359741950 [0,0,0,1,0,0|2,0,1]=4 3995 B12R1.255 O=C(O)CCOC[C@H]1CCOC1 93a47f45c943413ffff698c261bb4a1c [0,0,0,1,0,0|2,0,1]=4 3996 B12R1.255 O=C(O)CNCCC1CCCC1 324f85356df7a32eacba93e5a4f8ba31 [0,0,0,1,0,0|1,0,2]=4 3997 B12R1.255 O=C(O)CNCCC1CCCO1 6e1dc9781a17c4bb80e5d50336f8466a [0,0,0,1,0,0|2,0,1]=4 3998 B12R1.255 O=C(O)CNCCC1CCOC1 defc07405dc82d510d7aba78f0bf584a [0,0,0,1,0,0|2,0,1]=4 3999 B12R1.255 O=C(O)COCCC1CCCC1 fab27bb93cf625b0c938c51342b434ce [0,0,0,1,0,0|1,0,2]=4 4000 B12R1.255 O=C(O)COCCC1CCCO1 babcd2d2d2bba0e6fc9570d258c2c013 [0,0,0,1,0,0|2,0,1]=4 4001 B12R1.255 O=C(O)COCCC1CCOC1 4c21f776e6aace06e1bd8f4a11186da7 [0,0,0,1,0,0|2,0,1]=4 4002 B12R1.255 O=[N+]([O-])CCCOC1C=CCC1 e0b8ccb5ef5848e29ac804c75ff64898 [0,0,0,1,0,0|2,0,1]=4 4003 B12R1.257 O=C(O)CCCCNC1CCC1 8c47e392b662667e9c316e378eb973b0 [0,0,0,1,0,0|1,0,2]=4 4004 B12R1.257 O=C(O)CCCCNC1COC1 b5f5f603db7fab49fba93bb5ee53ee98 [0,0,0,1,0,0|2,0,1]=4 4005 B12R1.257 O=C(O)CCCCOC1CCC1 1fdb76a3e3b199883a9ad69599b6cb2c [0,0,0,1,0,0|1,0,2]=4 4006 B12R1.257 O=C(O)CCCCOC1COC1 66da960280f9d59a7e77ba6c15427f3a [0,0,0,1,0,0|2,0,1]=4 4007 B12R1.257 O=C(O)CCCNCC1CCC1 97344480eadad049288902e57ea670ec [0,0,0,1,0,0|1,0,2]=4 4008 B12R1.257 O=C(O)CCCNCC1CCO1 58a01e151cf50a21fe3dc90e4f3882ed [0,0,0,1,0,0|2,0,1]=4 4009 B12R1.257 O=C(O)CCCNCC1COC1 cb14f37948f4ca5ddaba0ec8ffe510b8 [0,0,0,1,0,0|2,0,1]=4 4010 B12R1.257 O=C(O)CCCNC[C@@H]1CCO1 d0d2b368ac6bbbe016f0743c19cb809a [0,0,0,1,0,0|2,0,1]=4 4011 B12R1.257 O=C(O)CCCNC[C@H]1CCO1 1f3eb77ad0b1b0306874df43298bb86e [0,0,0,1,0,0|2,0,1]=4 4012 B12R1.257 O=C(O)CCNCCC1CCC1 89341b80152249ae63d8c6f8fb43bdbf [0,0,0,1,0,0|1,0,2]=4 4013 B12R1.257 O=C(O)CCNCCC1CCO1 663eb024630d4df0a24d6115151fb92c [0,0,0,1,0,0|2,0,1]=4 4014 B12R1.257 O=C(O)CCNCCC1COC1 0529ad39245ce4748b646e73aede6758 [0,0,0,1,0,0|2,0,1]=4 4015 B12R1.257 O=C(O)CCNCC[C@@H]1CCO1 3fa97e8155a66d3337085262290e3d1a [0,0,0,1,0,0|2,0,1]=4 4016 B12R1.257 O=C(O)CCOCCC1CCC1 f014e0910ae5fde508e2bc800d57a87f [0,0,0,1,0,0|1,0,2]=4 4017 B12R1.257 O=C(O)CCOCCC1CCO1 689cee4f910d412a3e940416dfd29884 [0,0,0,1,0,0|2,0,1]=4 4018 B12R1.257 O=C(O)CCOCCC1COC1 eeaef2ba6cd40be7a8994c775bd44eda [0,0,0,1,0,0|2,0,1]=4 4019 B12R1.257 O=C(O)CCOCC[C@@H]1CCO1 3c171f18659775f90c8dad05c55ac5d4 [0,0,0,1,0,0|2,0,1]=4 4020 B12R1.257 O=C(O)CCOCC[C@H]1CCO1 6ff32e6a6184cae868255182def4fa9d [0,0,0,1,0,0|2,0,1]=4 4021 B12R1.257 O=C(O)COCCCC1CCC1 ba000324a3df4f318fc6414303193d92 [0,0,0,1,0,0|1,0,2]=4 4022 B12R1.257 O=C(O)COCCCC1COC1 e021824a52e23c161ff1f86ede30c8f4 [0,0,0,1,0,0|2,0,1]=4 4023 B12R1.271 C=CCCCCOCC1CC1=C f0534ed8e2b99831200efadcff0f9c65 [0,0,0,1,0,0|3,0,0]=4 4024 B12R1.283 C#CCN1CCCCC1C(=O)O c92e9668973c53d9b126c17436d104dd [0,0,0,1,0,0|1,0,2]=4 4025 B12R1.283 C#CCN1CCCC[C@@H]1C(=O)O b8680b348333913b9c37ce8de89bbb11 [0,0,0,1,0,0|1,0,2]=4 4026 B12R1.283 C#CCN1CCCC[C@H]1C(=O)O d69217c5b2ac3410557c5160cc1be25e [0,0,0,1,0,0|1,0,2]=4 4027 B12R1.283 C=CCN1CC=CC[C@H]1C(=O)O 4a3a1708dadd1265ad443e46a5aec1ae [0,0,0,1,0,0|1,0,2]=4 4028 B12R1.283 C=CCN1CCCCC1C(=O)C 711550058a33a1e638163f3a85abe6a9 [0,0,0,1,0,0|2,0,0]=3 4029 B12R1.283 C=CCN1CCCCC1C(=O)N 08f21ad7c1803e83dd3354eb5dd0ce81 [0,0,0,1,0,0|2,0,0]=3 4030 B12R1.283 C=CCN1CCCCC1C(=O)O 0d9a86bb4e21d7ab05b365f94f1bc7f2 [0,0,0,1,0,0|1,0,0]=2 4031 B12R1.283 C=CCN1CCCC[C@@H]1C(=O)N 5701c9edf8ec4bc8a00f1dae6bc0a228 [0,0,0,1,0,0|2,0,0]=3 4032 B12R1.283 C=CCN1CCCC[C@@H]1C(=O)O 99f9c3a60f94bda70c9c9689437b6d20 [0,0,0,1,0,0|1,0,0]=2 4033 B12R1.283 C=CCN1CCCC[C@H]1C(=O)N 09b2ecfc3a03a6d9c826dd72b9041b96 [0,0,0,1,0,0|2,0,0]=3 4034 B12R1.283 C=CCN1CCCC[C@H]1C(=O)O 591e8a7a5ad84dd6e3938cd9e1ad2098 [0,0,0,1,0,0|1,0,0]=2 4035 B12R1.283 C=CCN1CCCSC1C(=O)O b971ef7cfd9f7abb486b17e07d563147 [0,0,0,1,0,0|2,0,0]=3 4036 B12R1.283 C=CCN1CCOCC1C(=O)N 3b8320e060756f0cd0494025c986adb3 [0,0,0,1,0,0|3,0,0]=4 4037 B12R1.283 C=CCN1CCOCC1C(=O)O 3083afbca90e2cd282c5bb7d8f7d1923 [0,0,0,1,0,0|2,0,0]=3 4038 B12R1.283 C=CCN1CCOC[C@@H]1C(=O)N 13e26982a7c8480088048284c0e7a573 [0,0,0,1,0,0|3,0,0]=4 4039 B12R1.283 C=CCN1CCOC[C@@H]1C(=O)O 0f96c0cc5ce4ac10b479f892c4e98344 [0,0,0,1,0,0|2,0,0]=3 4040 B12R1.283 C=CCN1CCOC[C@H]1C(=O)N bc0bfd683d7aed2ca0faeb36ffa508bc [0,0,0,1,0,0|3,0,0]=4 4041 B12R1.283 C=CCN1CCOC[C@H]1C(=O)O 4ab3f604a8744848a704fffdaef62f9c [0,0,0,1,0,0|2,0,0]=3 4042 B12R1.283 C=CCN1CCSCC1C(=O)O 4b4ed695ec1232ae36d5b25432c84116 [0,0,0,1,0,0|2,0,0]=3 4043 B12R1.283 C=CCN1CCSC[C@@H]1C(=O)O 35b8cc86c746ce6a72c81b301a13a752 [0,0,0,1,0,0|2,0,0]=3 4044 B12R1.283 C=CCN1CCSC[C@H]1C(=O)O 01ce52a21eb8d3efc673e9284897252e [0,0,0,1,0,0|2,0,0]=3 4045 B12R1.283 CC(=O)C1CCCCN1CC=O a678cfe79f58a62c6c777597c271782b [0,0,0,1,0,0|3,0,0]=4 4046 B12R1.283 CCCN1CCCCC1C(=O)O abc904457c95c595db72ccb051ad6a80 [0,0,0,1,0,0|1,0,2]=4 4047 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O e827085340113380b3effa328728f865 [0,0,0,1,0,0|1,0,2]=4 4048 B12R1.283 CCCN1CCCC[C@H]1C(=O)O 048bd70b07e44b81e3a792298ad86f3d [0,0,0,1,0,0|1,0,2]=4 4049 B12R1.283 CCNC1CCCCC1C(=O)O 2801e5865e0e37e41e6303c6c8aa0aad [0,0,0,1,0,0|1,0,2]=4 4050 B12R1.283 CCN[C@H]1CCCC[C@@H]1C(=O)O 3e939cae097addbcc14cc6c3fba239b5 [0,0,0,1,0,0|1,0,2]=4 4051 B12R1.283 CCN[C@H]1CCCC[C@H]1C(=O)O b70442dbb9aa3c442c7b613fcb81ed5a [0,0,0,1,0,0|1,0,2]=4 4052 B12R1.283 CCOC1CCCCC1C(=O)O 8727008b5a3064458f9a59b0ef36913b [0,0,0,1,0,0|1,0,2]=4 4053 B12R1.283 COCN1CCCCC1C(=O)O ec8a8ef9e6b98d51dbf75ec49c2a009c [0,0,0,1,0,0|2,0,1]=4 4054 B12R1.283 COCN1CCCC[C@@H]1C(=O)O ba1ed48407b2c04367269682dc30eb41 [0,0,0,1,0,0|2,0,1]=4 4055 B12R1.283 COCN1CCCC[C@H]1C(=O)O c9694d969e16aa8a1144219f5eb50c70 [0,0,0,1,0,0|2,0,1]=4 4056 B12R1.283 CSCN1CCCCC1C(=O)O 3fae4367adfc4e3c2e915c89cdad4b7f [0,0,0,1,0,0|2,0,1]=4 4057 B12R1.283 CSCN1CCCC[C@@H]1C(=O)O fe226aca91058676dec534ffdd7b56f8 [0,0,0,1,0,0|2,0,1]=4 4058 B12R1.283 CSCN1CCCC[C@H]1C(=O)O 6bf778f53de9e1d22eea00a85d00f4ac [0,0,0,1,0,0|2,0,1]=4 4059 B12R1.283 N#CCN1CCCCC1C(=O)O cb721dafcb753c7fc16024befccb049e [0,0,0,1,0,0|2,0,1]=4 4060 B12R1.283 N#CCN1CCCC[C@@H]1C(=O)O 187dda43c2619cea9f0fda87ff29deae [0,0,0,1,0,0|2,0,1]=4 4061 B12R1.283 N#CCN1CCCC[C@H]1C(=O)O a858edef5b025c723ae8a19ce07aa66c [0,0,0,1,0,0|2,0,1]=4 4062 B12R1.283 NC(=O)C1CCCCN1CC=O 9be73443e66f402afdaee3f04de7ba18 [0,0,0,1,0,0|3,0,0]=4 4063 B12R1.283 NC(=O)[C@@H]1CCCCN1CC=O feb65b01e6432f2af16106c8bdfad16e [0,0,0,1,0,0|3,0,0]=4 4064 B12R1.283 NC(=O)[C@@H]1CCCC[C@@H]1NC=O 4d1f244f79a46a03269068fd4b95e3b1 [0,0,0,1,0,0|3,0,0]=4 4065 B12R1.283 NC(=O)[C@@H]1CCCC[C@H]1NC=O b2ecee6a194dd0417fd472dbaa4a7a53 [0,0,0,1,0,0|3,0,0]=4 4066 B12R1.283 NC(=O)[C@H]1CCCCN1CC=O 474fbb253a4d36b48e70b56dfc72a832 [0,0,0,1,0,0|3,0,0]=4 4067 B12R1.283 NC(=O)[C@H]1CCCC[C@@H]1NC=O c5f3c3a0c49885282b6c541d34a286a0 [0,0,0,1,0,0|3,0,0]=4 4068 B12R1.283 NC(=O)[C@H]1CCCC[C@H]1NC=O 34d0317427f82f7e20f4916e8067cfd9 [0,0,0,1,0,0|3,0,0]=4 4069 B12R1.283 O=C(O)C1CCCCC1NCF 3613b171c42f7e04bd3302bf2269addb [0,0,0,1,0,0|2,0,1]=4 4070 B12R1.283 O=C(O)C1CCCCC1NCO 78304e0c0bd989926b139e2dc0599a24 [0,0,0,1,0,0|2,0,1]=4 4071 B12R1.283 O=C(O)C1CCCCC1OCF 6247803eb5093910faa68d017f1f00da [0,0,0,1,0,0|2,0,1]=4 4072 B12R1.283 O=C(O)C1CCCCN1CCF 01473e6d3a646b5d9433d2fc35299be6 [0,0,0,1,0,0|2,0,1]=4 4073 B12R1.283 O=C(O)C1CCCCN1CCO 11476c12e6576304586fde52ef4812da [0,0,0,1,0,0|2,0,1]=4 4074 B12R1.283 O=C(O)C1CCCCN1CCS 10d5bd87ea5b864eb77b788a0ac7a925 [0,0,0,1,0,0|2,0,1]=4 4075 B12R1.283 O=C(O)[C@@H]1CCCCN1CCF 702d10a0a346e6e7b756b2c68126daef [0,0,0,1,0,0|2,0,1]=4 4076 B12R1.283 O=C(O)[C@@H]1CCCCN1CCO a1536f0ff36702b67fabbe2f58d00dea [0,0,0,1,0,0|2,0,1]=4 4077 B12R1.283 O=C(O)[C@@H]1CCCCN1CCS 3fcbd5cdec6285d32eae39b90a0a8419 [0,0,0,1,0,0|2,0,1]=4 4078 B12R1.283 O=C(O)[C@@H]1CCCC[C@@H]1NCF bffafb52769245d854b2527657138aab [0,0,0,1,0,0|2,0,1]=4 4079 B12R1.283 O=C(O)[C@@H]1CCCC[C@@H]1NCO 8e3f3bacc689fa9f10a7a84fbd215b18 [0,0,0,1,0,0|2,0,1]=4 4080 B12R1.283 O=C(O)[C@H]1CCCCN1CCF 8b2c20c91c5b2c09442910b1f2c35d97 [0,0,0,1,0,0|2,0,1]=4 4081 B12R1.283 O=C(O)[C@H]1CCCCN1CCO 32126ba51df45dd24e2233d0e9e38f8f [0,0,0,1,0,0|2,0,1]=4 4082 B12R1.283 O=C(O)[C@H]1CCCCN1CCS d100bf19c1b2f7861f96aa5f7059b49f [0,0,0,1,0,0|2,0,1]=4 4083 B12R1.283 O=C(O)[C@H]1CCCC[C@@H]1NCF a685bed1a957a59852a717f7b287cb8f [0,0,0,1,0,0|2,0,1]=4 4084 B12R1.283 O=C(O)[C@H]1CCCC[C@@H]1NCO 8e77ad608cb6d48367d1dc7aae6b708d [0,0,0,1,0,0|2,0,1]=4 4085 B12R1.283 O=CCN1CCCCC1C(=O)O 2730a0677ad5430505ae21f39efc2289 [0,0,0,1,0,0|2,0,0]=3 4086 B12R1.283 O=CCN1CCCC[C@@H]1C(=O)O e5fd82bae7801d4aa26cb290d032e1db [0,0,0,1,0,0|2,0,0]=3 4087 B12R1.283 O=CCN1CCCC[C@H]1C(=O)O bfc151a2cdb3d0482be6c1eafd526b59 [0,0,0,1,0,0|2,0,0]=3 4088 B12R1.283 O=CCN1CCCSC1C(=O)O 2171f76ab6773e36d2d3f7d00fa427b1 [0,0,0,1,0,0|3,0,0]=4 4089 B12R1.283 O=CCN1CCOCC1C(=O)O 387f462628939e5ec328711b0fff845f [0,0,0,1,0,0|3,0,0]=4 4090 B12R1.283 O=CCN1CCOC[C@@H]1C(=O)O a7332a8da4cb71192271228e78942beb [0,0,0,1,0,0|3,0,0]=4 4091 B12R1.283 O=CCN1CCOC[C@H]1C(=O)O 6dbd19b17cf6fa0fa16fcbb3cb6657c0 [0,0,0,1,0,0|3,0,0]=4 4092 B12R1.283 O=CCN1CCSCC1C(=O)O b2da00df8500003332af5b92a879cadc [0,0,0,1,0,0|3,0,0]=4 4093 B12R1.283 O=CCN1CCSC[C@@H]1C(=O)O 785c8893f22b8530889c29deb8bfbe05 [0,0,0,1,0,0|3,0,0]=4 4094 B12R1.283 O=CCN1CCSC[C@H]1C(=O)O 7a70e69b7d43a1d85724e1cb3dcfd6c3 [0,0,0,1,0,0|3,0,0]=4 4095 B12R1.289 C#CCN1CCCC1CC(=O)O ba5c8978e9e74dd04c86769479944cd3 [0,0,0,1,0,0|1,0,2]=4 4096 B12R1.289 C#CCN1CCC[C@@H]1CC(=O)O a2af58ed184a2ac9b660fd3c6c70a693 [0,0,0,1,0,0|1,0,2]=4 4097 B12R1.289 C#CCN1CCC[C@H]1CC(=O)O 02bc6fd652a293826cd4bae012468e6d [0,0,0,1,0,0|1,0,2]=4 4098 B12R1.289 C=CCN1CCCC1CC(=O)O f87aa2d6db2e4e9acd9166d1ee9c4d73 [0,0,0,1,0,0|1,0,0]=2 4099 B12R1.289 C=CCN1CCC[C@@H]1CC(=O)O 734531968c6fcd81e8b0582fef0494c8 [0,0,0,1,0,0|1,0,0]=2 4100 B12R1.289 C=CCN1CCC[C@H]1CC(=O)O b37f1dbfba39cf71795ff68b384a7227 [0,0,0,1,0,0|1,0,0]=2 4101 B12R1.289 CCCN1CCCC1CC(=O)O 5ab52f7819964ea5746c897e9f209b5d [0,0,0,1,0,0|1,0,2]=4 4102 B12R1.289 CCCN1CCC[C@@H]1CC(=O)O bf160ee86cef9555754ad1c4c493993f [0,0,0,1,0,0|1,0,2]=4 4103 B12R1.289 CCCN1CCC[C@H]1CC(=O)O 0926e28dbaa25186f0b0fee71283ef15 [0,0,0,1,0,0|1,0,2]=4 4104 B12R1.289 COCC1CCCN1CC(=O)O ce213cbd5a62158b82cf73d05a2c03cc [0,0,0,1,0,0|2,0,1]=4 4105 B12R1.289 COCN1CCCC1CC(=O)O 6ecc2621576816ed73891db55d23726a [0,0,0,1,0,0|2,0,1]=4 4106 B12R1.289 COCN1CCC[C@@H]1CC(=O)O ded55387dd1cf668b3b576f496b16dd5 [0,0,0,1,0,0|2,0,1]=4 4107 B12R1.289 COCN1CCC[C@H]1CC(=O)O 1a7bad48f4bc3f1ab79e97ea0cbc1ac0 [0,0,0,1,0,0|2,0,1]=4 4108 B12R1.289 COC[C@@H]1CCCN1CC(=O)O 056672140c9fd0711d982840370a0923 [0,0,0,1,0,0|2,0,1]=4 4109 B12R1.289 COC[C@H]1CCCN1CC(=O)O 198d1490af356ed69afd8a4c99184605 [0,0,0,1,0,0|2,0,1]=4 4110 B12R1.289 CSCC1CCCN1CC(=O)O 4ce4eb77482c678522d4edb1c24742b9 [0,0,0,1,0,0|2,0,1]=4 4111 B12R1.289 CSCN1CCCC1CC(=O)O 5e98a8019904459e5498de3977fb3372 [0,0,0,1,0,0|2,0,1]=4 4112 B12R1.289 CSCN1CCC[C@@H]1CC(=O)O f758ae04a87dd09c3c7807b82cd59665 [0,0,0,1,0,0|2,0,1]=4 4113 B12R1.289 CSCN1CCC[C@H]1CC(=O)O 90c94c30b068c47c51e26c290ff7ccaf [0,0,0,1,0,0|2,0,1]=4 4114 B12R1.289 N#CCN1CCCC1CC(=O)O 63f0951d97030fcc236f731f5023910e [0,0,0,1,0,0|2,0,1]=4 4115 B12R1.289 N#CCN1CCC[C@@H]1CC(=O)O 066293f2ab9610ffdb483b1e4741cd63 [0,0,0,1,0,0|2,0,1]=4 4116 B12R1.289 N#CCN1CCC[C@H]1CC(=O)O 54b3320a3aa310ea8a4c32e2966fc13b [0,0,0,1,0,0|2,0,1]=4 4117 B12R1.289 O=C(O)CC1CCCN1CCF 49f79b2ce6c853dad6d898c5e0d3f71c [0,0,0,1,0,0|2,0,1]=4 4118 B12R1.289 O=C(O)CC1CCCN1CCO 7551fd8dd94e53c78dd37a2cc808790e [0,0,0,1,0,0|2,0,1]=4 4119 B12R1.289 O=C(O)CC1CCCN1CCS cfeda80351b0922da99a691cfd499c0f [0,0,0,1,0,0|2,0,1]=4 4120 B12R1.289 O=C(O)CN1CCCC1CCO a811c30b0af30a771585b0bded5c600a [0,0,0,1,0,0|2,0,1]=4 4121 B12R1.289 O=C(O)CN1CCC[C@@H]1CCO 970b3c491708a3ac9d4f4dec7ad0097a [0,0,0,1,0,0|2,0,1]=4 4122 B12R1.289 O=C(O)C[C@@H]1CCCN1CCF 4d77d20ff475bfc13bd6af6c26e0bdff [0,0,0,1,0,0|2,0,1]=4 4123 B12R1.289 O=C(O)C[C@@H]1CCCN1CCO 4137454e19b76c11b9a593b327fa7770 [0,0,0,1,0,0|2,0,1]=4 4124 B12R1.289 O=C(O)C[C@@H]1CCCN1CCS 1695d85ab66c2cd24986802fe66f9af7 [0,0,0,1,0,0|2,0,1]=4 4125 B12R1.289 O=C(O)C[C@H]1CCCN1CCF cd87571b090170ef9e6a43a0cd45cc22 [0,0,0,1,0,0|2,0,1]=4 4126 B12R1.289 O=C(O)C[C@H]1CCCN1CCO 6da673bdab412ca0ddac54e34ad9f743 [0,0,0,1,0,0|2,0,1]=4 4127 B12R1.289 O=C(O)C[C@H]1CCCN1CCS 377f6977830ceba426c247109d91c4bd [0,0,0,1,0,0|2,0,1]=4 4128 B12R1.289 O=CCN1CCCC1CC(=O)O 323e2d35ea2eb965b93264839e3ff3df [0,0,0,1,0,0|2,0,0]=3 4129 B12R1.289 O=CCN1CCC[C@@H]1CC(=O)O b5fb1a6e008d298e2b9f12d710d0ab8d [0,0,0,1,0,0|2,0,0]=3 4130 B12R1.289 O=CCN1CCC[C@H]1CC(=O)O 251ce482202bb9570d9aa40b429a4d4f [0,0,0,1,0,0|2,0,0]=3 4131 B12R1.321 C=CCCN1CCCCC(C1)O baa65e26c34fcd9b970d7604a52f9982 [0,0,0,1,0,0|2,0,1]=4 4132 B12R1.321 C=CCCN1CCCC[C@H](C1)O 9e16638c72f1842d1c6b12ac42d937b5 [0,0,0,1,0,0|2,0,1]=4 4133 B12R1.321 C=CCCN1CCCNC(=O)C1 723678b700cb80a704d5e95e83b0edc8 [0,0,0,1,0,0|3,0,0]=4 4134 B12R1.321 C=CCOC1CCCNC(=O)C1 b2cd876acb0afb16405a0b445f8ace25 [0,0,0,1,0,0|3,0,0]=4 4135 B12R1.324 C#CCCN1CCC1CC(=O)O 1090838644bff8807c9fced56fb87437 [0,0,0,1,0,0|1,0,2]=4 4136 B12R1.324 C/C=C/CN1CCC1CC(=O)O 442244019a444835b7e5d6d1fc5ffd13 [0,0,0,1,0,0|1,0,2]=4 4137 B12R1.324 C/C=C\CN1CCC1CC(=O)O 581061d0c01b8e6834a86be13a7a18e4 [0,0,0,1,0,0|1,0,2]=4 4138 B12R1.324 C=CCCN1CCC1CC(=O)O 88f6a5dea57589cf84e94e4b2fe2b5d3 [0,0,0,1,0,0|1,0,0]=2 4139 B12R1.324 C=CCOC1CCC1OC(=O)C 762b3b810e642e9f222496f35d3a283b [0,0,0,1,0,0|3,0,0]=4 4140 B12R1.324 CCCCN1CCC1CC(=O)O 9616ded4178e8bca4e7aea6f8208d945 [0,0,0,1,0,0|1,0,2]=4 4141 B12R1.324 COCCN1CCC1CC(=O)O 18f2bf4dce306b1d7435e17d215f2688 [0,0,0,1,0,0|2,0,1]=4 4142 B12R1.324 CSCCN1CCC1CC(=O)O f52b8dbf27ae2c403597990c63edc91d [0,0,0,1,0,0|2,0,1]=4 4143 B12R1.324 N#CCCN1CCC1CC(=O)O f7dd9c0a2296f2116557369325b8a280 [0,0,0,1,0,0|2,0,1]=4 4144 B12R1.324 O=C(O)CC1CCN1C/C=C/Cl fd3cc95d2fabc9e0fa3dec41618a233a [0,0,0,1,0,0|2,0,1]=4 4145 B12R1.324 O=C(O)CC1CCN1C/C=C\Cl 6a9338cda826d0d284a8dadc7da8dcaa [0,0,0,1,0,0|2,0,1]=4 4146 B12R1.324 O=C(O)CC1CCN1C/C=C\O ee30789d14cd12846cacfe346c7315d7 [0,0,0,1,0,0|2,0,1]=4 4147 B12R1.324 O=C(O)CC1CCN1CCCF c14218a0ebbeffe7ef99f96bc2aded7b [0,0,0,1,0,0|2,0,1]=4 4148 B12R1.324 O=C(O)CC1CCN1CCCO 983be34e8d5bc0f507c0ee8172f1fd58 [0,0,0,1,0,0|2,0,1]=4 4149 B12R1.324 O=C(O)CC1CCN1CCCS 7f87fb6e06e74df0e9f8d339b40a3984 [0,0,0,1,0,0|2,0,1]=4 4150 B12R1.324 O=CCCN1CCC1CC(=O)O 41196e4fb1eeba48522c4c9749febf55 [0,0,0,1,0,0|2,0,0]=3 4151 B12R1.384 C=CCNC1CCCCC1(C)O 699c35cc28d075d1abbee112c87f08ba [0,0,0,1,0,0|2,0,1]=4 4152 B12R1.386 C#CCCN1CCCC1C(=O)O 883f486a8258739a38ee3529b7a096ee [0,0,0,1,0,0|1,0,2]=4 4153 B12R1.386 C#CCCN1CCC[C@@H]1C(=O)O bd256fa899537fba01cbe27f3bb90b52 [0,0,0,1,0,0|1,0,2]=4 4154 B12R1.386 C#CCCN1CCC[C@H]1C(=O)O 688bc85963557122cd898558c1b81ab1 [0,0,0,1,0,0|1,0,2]=4 4155 B12R1.386 C#CCN[C@@H]1CCC[C@@H]1C(=O)O af73bc094075e712d14449cf07d41306 [0,0,0,1,0,0|1,0,2]=4 4156 B12R1.386 C#CCN[C@H]1CCC[C@@H]1C(=O)O 7f8be619afd86ecbcbd548cc0b2227df [0,0,0,1,0,0|1,0,2]=4 4157 B12R1.386 C#CCN[C@H]1CCC[C@H]1C(=O)O 82c631cd8cdb7da5cec641cde7ce42ab [0,0,0,1,0,0|1,0,2]=4 4158 B12R1.386 C#CCOC1CCCC1C(=O)O 6c0bb52985899c53885f1d65c57228e7 [0,0,0,1,0,0|1,0,2]=4 4159 B12R1.386 C#CCO[C@@H]1CCC[C@@H]1C(=O)O c6909f32bdbea362ece32aad1a95ef41 [0,0,0,1,0,0|1,0,2]=4 4160 B12R1.386 C#CCO[C@@H]1CCC[C@H]1C(=O)O 46907870f9ad69714c110613de680d42 [0,0,0,1,0,0|1,0,2]=4 4161 B12R1.386 C#CCO[C@H]1CCC[C@H]1C(=O)O 0cb81ca3e668b021fda87d21623de057 [0,0,0,1,0,0|1,0,2]=4 4162 B12R1.386 C/C=C/CN1CCCC1C(=O)O 07bc368e8ba86f05cc339942c9a12fcf [0,0,0,1,0,0|1,0,2]=4 4163 B12R1.386 C/C=C/CN1CCC[C@@H]1C(=O)O 758b7295244c9b57c0fc429cbc1a688a [0,0,0,1,0,0|1,0,2]=4 4164 B12R1.386 C/C=C/CN1CCC[C@H]1C(=O)O f6d58b22151669e33761b2e25f3dcf37 [0,0,0,1,0,0|1,0,2]=4 4165 B12R1.386 C/C=C\CN1CCCC1C(=O)O e237ae6b42015e0f79b6b643dac8d76a [0,0,0,1,0,0|1,0,2]=4 4166 B12R1.386 C/C=C\CN1CCC[C@@H]1C(=O)O 0112d1b2cc0bc03259732e1717187edd [0,0,0,1,0,0|1,0,2]=4 4167 B12R1.386 C/C=C\CN1CCC[C@H]1C(=O)O a89161c8c8d00a685edb70c83638a8f0 [0,0,0,1,0,0|1,0,2]=4 4168 B12R1.386 C=CCCN1CC=CC1C(=O)O 56b736e25c0534f888833d2083e12208 [0,0,0,1,0,0|1,0,2]=4 4169 B12R1.386 C=CCCN1CC=C[C@H]1C(=O)O ccf897ebacad949455e4b223f53d24bb [0,0,0,1,0,0|1,0,2]=4 4170 B12R1.386 C=CCCN1CCCC1C(=O)N 74d83c368d07d7fde897ce135da19484 [0,0,0,1,0,0|2,0,0]=3 4171 B12R1.386 C=CCCN1CCCC1C(=O)O d3ceba19504d275f39c02e45012448eb [0,0,0,1,0,0|1,0,0]=2 4172 B12R1.386 C=CCCN1CCCC1C(C)O 272b8af449850fb19ec245d83a9c159a [0,0,0,1,0,0|2,0,1]=4 4173 B12R1.386 C=CCCN1CCC[C@@H]1C(=O)N 0c2308f3725336d0b7ddc6e008cb1fce [0,0,0,1,0,0|2,0,0]=3 4174 B12R1.386 C=CCCN1CCC[C@@H]1C(=O)O 014a3fb9e2e9d1c7641e40a11fedca93 [0,0,0,1,0,0|1,0,0]=2 4175 B12R1.386 C=CCCN1CCC[C@@H]1C(C)O 20991deef1cd862018fc22df59bee6eb [0,0,0,1,0,0|2,0,1]=4 4176 B12R1.386 C=CCCN1CCC[C@H]1C(=O)N a76a712f29dddc294ee9907426c3cd95 [0,0,0,1,0,0|2,0,0]=3 4177 B12R1.386 C=CCCN1CCC[C@H]1C(=O)O ab4a436acbccfb2f0de41beac29ca060 [0,0,0,1,0,0|1,0,0]=2 4178 B12R1.386 C=CCCN1CCC[C@H]1[C@H](C)O 40c63bbb64f510e7e5e4669036f9846c [0,0,0,1,0,0|2,0,1]=4 4179 B12R1.386 C=CCCN1CCSC1C(=O)O 6c085a824d5ebeeaa9c11a4c247e9604 [0,0,0,1,0,0|2,0,0]=3 4180 B12R1.386 C=CCCN1CSCC1C(=O)O 58c6e3a8aefe6952ac207df547be9403 [0,0,0,1,0,0|2,0,0]=3 4181 B12R1.386 C=CCCN1CSC[C@@H]1C(=O)O 06c5438e10d2b548b770ca360a982524 [0,0,0,1,0,0|2,0,0]=3 4182 B12R1.386 C=CCCN1CSC[C@H]1C(=O)O 555179e03e0fc8b256b00dc936e94e68 [0,0,0,1,0,0|2,0,0]=3 4183 B12R1.386 C=CCNC1C=CCC1C(=O)O 50c7e57e1ca636a95046127d39073e5b [0,0,0,1,0,0|1,0,2]=4 4184 B12R1.386 C=CCNC1COCC1C(=O)N 4600cba40e0eb8ee2ff8094ea72f93bd [0,0,0,1,0,0|3,0,0]=4 4185 B12R1.386 C=CCN[C@@H]1CCC[C@@H]1C(=O)O 79c43ff0db47c821781c2df356884de6 [0,0,0,1,0,0|1,0,0]=2 4186 B12R1.386 C=CCN[C@@H]1COC[C@@H]1C(=O)N 2cfa44e038d9e76ddd119aff6f48b30d [0,0,0,1,0,0|3,0,0]=4 4187 B12R1.386 C=CCN[C@@H]1COC[C@@H]1C(=O)O c11c39763a205341cfd6cf1ee0d3fd83 [0,0,0,1,0,0|2,0,0]=3 4188 B12R1.386 C=CCN[C@@H]1COC[C@H]1C(=O)N f3a07e623fec7a5d8341a4151baed7b9 [0,0,0,1,0,0|3,0,0]=4 4189 B12R1.386 C=CCN[C@@H]1COC[C@H]1C(=O)O 2904a16e1ddebd354f812d33f51b9c00 [0,0,0,1,0,0|2,0,0]=3 4190 B12R1.386 C=CCN[C@H]1CCC[C@@H]1C(=O)O 5a7456345706a0065eebfb5b9e415e83 [0,0,0,1,0,0|1,0,0]=2 4191 B12R1.386 C=CCN[C@H]1CCC[C@H]1C(=O)O e9d5620394b65018d48228d5ce5661e8 [0,0,0,1,0,0|1,0,0]=2 4192 B12R1.386 C=CCN[C@H]1COC[C@@H]1C(=O)N a1da24c72e6aa744dc6faeb304ffda8c [0,0,0,1,0,0|3,0,0]=4 4193 B12R1.386 C=CCN[C@H]1COC[C@@H]1C(=O)O 23454c10f2b08ca83fbefbc219446ce6 [0,0,0,1,0,0|2,0,0]=3 4194 B12R1.386 C=CCN[C@H]1COC[C@H]1C(=O)N 2102ae8c332c15f9218a4f33c388b725 [0,0,0,1,0,0|3,0,0]=4 4195 B12R1.386 C=CCN[C@H]1COC[C@H]1C(=O)O a7742c3eb06485ec80f4faf22276b6a8 [0,0,0,1,0,0|2,0,0]=3 4196 B12R1.386 C=CCOC1CCCC1C(=O)N 7268a90f38e700c5964857742583b36b [0,0,0,1,0,0|2,0,0]=3 4197 B12R1.386 C=CCOC1CCCC1C(=O)O 82f96151c6388157861cf5dd61a159ea [0,0,0,1,0,0|1,0,0]=2 4198 B12R1.386 C=CCO[C@@H]1CCC[C@@H]1C(=O)O d814e1428515ffc5a0cf9036b6daa77e [0,0,0,1,0,0|1,0,0]=2 4199 B12R1.386 C=CCO[C@@H]1CCC[C@H]1C(=O)O 1e54aaafee3c93b3977571d6029129d4 [0,0,0,1,0,0|1,0,0]=2 4200 B12R1.386 C=CCO[C@H]1CCC[C@H]1C(=O)O dae5d1c3bd50751cdb5c6e01a5e84125 [0,0,0,1,0,0|1,0,0]=2 4201 B12R1.386 CCCCN1CCCC1C(=O)O 8d254cf786b863422f204444f8f985bd [0,0,0,1,0,0|1,0,2]=4 4202 B12R1.386 CCCCN1CCC[C@@H]1C(=O)O 501d7bd1b7fce3248993801a6cec2990 [0,0,0,1,0,0|1,0,2]=4 4203 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 9b23be9f3658261df2da572c35e583b5 [0,0,0,1,0,0|1,0,2]=4 4204 B12R1.386 CCCN[C@@H]1CCC[C@@H]1C(=O)O cfad12ade12f99a87002af6ea9f0932a [0,0,0,1,0,0|1,0,2]=4 4205 B12R1.386 CCCN[C@H]1CCC[C@@H]1C(=O)O 79616891427e1d4385f831e5e0a6f18c [0,0,0,1,0,0|1,0,2]=4 4206 B12R1.386 CCCN[C@H]1CCC[C@H]1C(=O)O 7ac340d2f94a27891b1a8a8d65014002 [0,0,0,1,0,0|1,0,2]=4 4207 B12R1.386 CCCOC1CCCC1C(=O)O 9501ea922c9ec74de76107ab6828f48e [0,0,0,1,0,0|1,0,2]=4 4208 B12R1.386 CCCO[C@@H]1CCC[C@@H]1C(=O)O 0bb4c9ade21944eabef58e324215cff7 [0,0,0,1,0,0|1,0,2]=4 4209 B12R1.386 CCCO[C@@H]1CCC[C@H]1C(=O)O 65bec8f1ca36232606a9e9ea7bc075a3 [0,0,0,1,0,0|1,0,2]=4 4210 B12R1.386 CCCO[C@H]1CCC[C@H]1C(=O)O 3d0418fcac664d10915b2c9cd7fdabb2 [0,0,0,1,0,0|1,0,2]=4 4211 B12R1.386 COCCN1CCCC1C(=O)O ddbcae8e375b359dabd53f0f2a05aa1d [0,0,0,1,0,0|2,0,1]=4 4212 B12R1.386 COCCN1CCC[C@@H]1C(=O)O 67daef876c918031f68511815ca63f7e [0,0,0,1,0,0|2,0,1]=4 4213 B12R1.386 COCCN1CCC[C@H]1C(=O)O 58dd0f712f31ac3d19e404d463f64ce7 [0,0,0,1,0,0|2,0,1]=4 4214 B12R1.386 COCN[C@@H]1CCC[C@@H]1C(=O)O 491586bb76e082fd98924d927aa64cc8 [0,0,0,1,0,0|2,0,1]=4 4215 B12R1.386 COCN[C@H]1CCC[C@@H]1C(=O)O ef1b9a8e320bdf74cfe9258146dcf404 [0,0,0,1,0,0|2,0,1]=4 4216 B12R1.386 COCN[C@H]1CCC[C@H]1C(=O)O 75f30233712e084f9ba26f855009c396 [0,0,0,1,0,0|2,0,1]=4 4217 B12R1.386 COCOC1CCCC1C(=O)O 58da31758895398214e6014d22bf464e [0,0,0,1,0,0|2,0,1]=4 4218 B12R1.386 COCO[C@@H]1CCC[C@@H]1C(=O)O c4ae1c505a7916f95ed8601b198c0093 [0,0,0,1,0,0|2,0,1]=4 4219 B12R1.386 COCO[C@@H]1CCC[C@H]1C(=O)O 3b0492866a69c9449acbe380c352773f [0,0,0,1,0,0|2,0,1]=4 4220 B12R1.386 COCO[C@H]1CCC[C@H]1C(=O)O 1e96bbfb19b717dd3f290654a66228e1 [0,0,0,1,0,0|2,0,1]=4 4221 B12R1.386 CSCCN1CCCC1C(=O)O aa1429c553b9468a98a6424a9b6379d2 [0,0,0,1,0,0|2,0,1]=4 4222 B12R1.386 CSCCN1CCC[C@@H]1C(=O)O 130b03042307f800c7aaf03bd7432346 [0,0,0,1,0,0|2,0,1]=4 4223 B12R1.386 CSCCN1CCC[C@H]1C(=O)O 6325ddaec83582ae22d82136b0892c81 [0,0,0,1,0,0|2,0,1]=4 4224 B12R1.386 CSCN[C@@H]1CCC[C@@H]1C(=O)O f19c2165d460c75486a6657abe43cd3d [0,0,0,1,0,0|2,0,1]=4 4225 B12R1.386 CSCN[C@H]1CCC[C@@H]1C(=O)O 9dfd5f557f41be91da74c95f7d3f6fd8 [0,0,0,1,0,0|2,0,1]=4 4226 B12R1.386 CSCN[C@H]1CCC[C@H]1C(=O)O 8343e12ceab00ebf4064c61cf7d561f1 [0,0,0,1,0,0|2,0,1]=4 4227 B12R1.386 CSCOC1CCCC1C(=O)O 2de3dab6df103db5e9bd296b815dd2b6 [0,0,0,1,0,0|2,0,1]=4 4228 B12R1.386 CSCO[C@@H]1CCC[C@@H]1C(=O)O f8f860fa9371343aa9c6952c4fbcd146 [0,0,0,1,0,0|2,0,1]=4 4229 B12R1.386 CSCO[C@@H]1CCC[C@H]1C(=O)O 1c5f69ca35dd25de7ce5c0799be1740b [0,0,0,1,0,0|2,0,1]=4 4230 B12R1.386 CSCO[C@H]1CCC[C@H]1C(=O)O 714dcc6da0d914bc00af5f577e76df62 [0,0,0,1,0,0|2,0,1]=4 4231 B12R1.386 N#CCCN1CCCC1C(=O)O b2bdb305c1b4da256a6001d30bd1531b [0,0,0,1,0,0|2,0,1]=4 4232 B12R1.386 N#CCCN1CCC[C@@H]1C(=O)O 80566b0dd2a1397f8cb4fd8547d25323 [0,0,0,1,0,0|2,0,1]=4 4233 B12R1.386 N#CCCN1CCC[C@H]1C(=O)O c9e1f37689c7e58f2bad1bba000e591f [0,0,0,1,0,0|2,0,1]=4 4234 B12R1.386 N#CCN[C@@H]1CCC[C@@H]1C(=O)O 86ea85f67d531dab1563f6c50bea5cb7 [0,0,0,1,0,0|2,0,1]=4 4235 B12R1.386 N#CCN[C@H]1CCC[C@@H]1C(=O)O ec65cf95273395ab38826fca633ca86d [0,0,0,1,0,0|2,0,1]=4 4236 B12R1.386 N#CCN[C@H]1CCC[C@H]1C(=O)O 5b5f4b74bbeaab09d5a508462f976488 [0,0,0,1,0,0|2,0,1]=4 4237 B12R1.386 N#CCOC1CCCC1C(=O)O 6991d435205befdc4e68b6e27e7d17ca [0,0,0,1,0,0|2,0,1]=4 4238 B12R1.386 N#CCO[C@@H]1CCC[C@@H]1C(=O)O 6809e97e34aa95270d75ea6cbc85f601 [0,0,0,1,0,0|2,0,1]=4 4239 B12R1.386 N#CCO[C@@H]1CCC[C@H]1C(=O)O 7549859ebe8baa55c4d7a7b720a81deb [0,0,0,1,0,0|2,0,1]=4 4240 B12R1.386 N#CCO[C@H]1CCC[C@H]1C(=O)O c2810e640aeacb257d54ddaaedca5db0 [0,0,0,1,0,0|2,0,1]=4 4241 B12R1.386 NC(=O)C1CCCC1OCC=O 12503b6d7ee6faf4d3e9a702fcb4fc99 [0,0,0,1,0,0|3,0,0]=4 4242 B12R1.386 NC(=O)C1CCCN1CCC=O 989304cc6a56938361c6f4d3577452df [0,0,0,1,0,0|3,0,0]=4 4243 B12R1.386 NC(=O)[C@@H]1CCCN1CCC=O 909b1ba78bf7373dbb14bb34230daa07 [0,0,0,1,0,0|3,0,0]=4 4244 B12R1.386 NC(=O)[C@H]1CCCN1CCC=O 13e71585e20e386a4e824579c6bfa570 [0,0,0,1,0,0|3,0,0]=4 4245 B12R1.386 O=C(O)C1CCCC1OCCF 0e8f30f64e3b2880dc26c9a7892894b9 [0,0,0,1,0,0|2,0,1]=4 4246 B12R1.386 O=C(O)C1CCCC1OCCS 874c1a933a95460070f6cc3efb9e970e [0,0,0,1,0,0|2,0,1]=4 4247 B12R1.386 O=C(O)C1CCCN1C/C=C/Cl 0f6f4c77c7cf87d800439b07daff19cf [0,0,0,1,0,0|2,0,1]=4 4248 B12R1.386 O=C(O)C1CCCN1C/C=C\Cl 7631b99dc3afdbb6ff3a3cc7fad5bb90 [0,0,0,1,0,0|2,0,1]=4 4249 B12R1.386 O=C(O)C1CCCN1C/C=C\O 2da888bb34b5e7143e7bc176b097d3f8 [0,0,0,1,0,0|2,0,1]=4 4250 B12R1.386 O=C(O)C1CCCN1CCCF 672e69b325cef9d4739796c6c8d610ae [0,0,0,1,0,0|2,0,1]=4 4251 B12R1.386 O=C(O)C1CCCN1CCCO 6e7d2ad7b2dac4879bd6c46dddb641df [0,0,0,1,0,0|2,0,1]=4 4252 B12R1.386 O=C(O)C1CCCN1CCCS 0f305891ffc8f6bb9e785695e3d4a6ff [0,0,0,1,0,0|2,0,1]=4 4253 B12R1.386 O=C(O)[C@@H]1CCCN1C/C=C/Cl 19f3e2537c27835bc506197fad4e9570 [0,0,0,1,0,0|2,0,1]=4 4254 B12R1.386 O=C(O)[C@@H]1CCCN1C/C=C\Cl fa4326ec2ad2c52fff5ac061a8c9539e [0,0,0,1,0,0|2,0,1]=4 4255 B12R1.386 O=C(O)[C@@H]1CCCN1C/C=C\O 38bfb1e15d2939e9826ed927076c78b8 [0,0,0,1,0,0|2,0,1]=4 4256 B12R1.386 O=C(O)[C@@H]1CCCN1CCCF a67faa2a72875aadc75a20066a85cc6b [0,0,0,1,0,0|2,0,1]=4 4257 B12R1.386 O=C(O)[C@@H]1CCCN1CCCO 7abe359d378e56955095e713821b39dc [0,0,0,1,0,0|2,0,1]=4 4258 B12R1.386 O=C(O)[C@@H]1CCCN1CCCS 1205bee19e8ed61510313b5ba2e36f82 [0,0,0,1,0,0|2,0,1]=4 4259 B12R1.386 O=C(O)[C@@H]1CCC[C@@H]1NCCF d62e2f67a4ba81017c0c290b6e030c58 [0,0,0,1,0,0|2,0,1]=4 4260 B12R1.386 O=C(O)[C@@H]1CCC[C@@H]1NCCO 8437ec49059462c1f928514deb1910f4 [0,0,0,1,0,0|2,0,1]=4 4261 B12R1.386 O=C(O)[C@@H]1CCC[C@@H]1NCCS a6945f56b53b0726174436a5d6b11bc4 [0,0,0,1,0,0|2,0,1]=4 4262 B12R1.386 O=C(O)[C@@H]1CCC[C@@H]1OCCF 8b9fd38a62017afdc74bfa0316e5a347 [0,0,0,1,0,0|2,0,1]=4 4263 B12R1.386 O=C(O)[C@@H]1CCC[C@@H]1OCCS 95ab2a3017bc33673701a42ec30039d2 [0,0,0,1,0,0|2,0,1]=4 4264 B12R1.386 O=C(O)[C@@H]1CCC[C@H]1OCCF 81a7d6fdd16dd872fc60e3a0536c7cdb [0,0,0,1,0,0|2,0,1]=4 4265 B12R1.386 O=C(O)[C@@H]1CCC[C@H]1OCCS 54f1cc450448c5c51e78be0142bec4ab [0,0,0,1,0,0|2,0,1]=4 4266 B12R1.386 O=C(O)[C@H]1CCCN1C/C=C/Cl 229285dad93a90b1603aa8c31113e18b [0,0,0,1,0,0|2,0,1]=4 4267 B12R1.386 O=C(O)[C@H]1CCCN1C/C=C\Cl b020b66a7cddac1cc0d9f8443450e2fc [0,0,0,1,0,0|2,0,1]=4 4268 B12R1.386 O=C(O)[C@H]1CCCN1C/C=C\O 462f000253884fc33d240362d3c3661a [0,0,0,1,0,0|2,0,1]=4 4269 B12R1.386 O=C(O)[C@H]1CCCN1CCCF 3e0cb63485d41a0fd741fab003c14be8 [0,0,0,1,0,0|2,0,1]=4 4270 B12R1.386 O=C(O)[C@H]1CCCN1CCCO ce6e2fcc9468db22007f04db7bfabd04 [0,0,0,1,0,0|2,0,1]=4 4271 B12R1.386 O=C(O)[C@H]1CCCN1CCCS 62bbbbba3a8ee3a43eb083b5d29f5735 [0,0,0,1,0,0|2,0,1]=4 4272 B12R1.386 O=C(O)[C@H]1CCC[C@@H]1NCCF ee7d46b58a2adec8739838fc0be1d9d4 [0,0,0,1,0,0|2,0,1]=4 4273 B12R1.386 O=C(O)[C@H]1CCC[C@@H]1NCCO 4b74ac1184672ef96b5e4728045eb8ac [0,0,0,1,0,0|2,0,1]=4 4274 B12R1.386 O=C(O)[C@H]1CCC[C@@H]1NCCS f00dfbbd6163169e3d56c6704f331fc9 [0,0,0,1,0,0|2,0,1]=4 4275 B12R1.386 O=C(O)[C@H]1CCC[C@H]1NCCF a89744aaa1bf7774ec29788cebe04b5f [0,0,0,1,0,0|2,0,1]=4 4276 B12R1.386 O=C(O)[C@H]1CCC[C@H]1NCCO 19a8bdfb5790ded200ab9d5e84a260f4 [0,0,0,1,0,0|2,0,1]=4 4277 B12R1.386 O=C(O)[C@H]1CCC[C@H]1NCCS 2acf4da215abd174778c23887ecef249 [0,0,0,1,0,0|2,0,1]=4 4278 B12R1.386 O=C(O)[C@H]1CCC[C@H]1OCCF 44e421678538b3f147b76364d0f9516a [0,0,0,1,0,0|2,0,1]=4 4279 B12R1.386 O=C(O)[C@H]1CCC[C@H]1OCCS 9be096b3c08c013ce33b12a9c0f79101 [0,0,0,1,0,0|2,0,1]=4 4280 B12R1.386 O=CCCN1CCCC1C(=O)O bb08800795f15aab8aa8eccd35a24f07 [0,0,0,1,0,0|2,0,0]=3 4281 B12R1.386 O=CCCN1CCC[C@@H]1C(=O)O 8968e894892f44c90ddd97889b2ae53d [0,0,0,1,0,0|2,0,0]=3 4282 B12R1.386 O=CCCN1CCC[C@H]1C(=O)O e06951b6271e697c345e689bb74c8528 [0,0,0,1,0,0|2,0,0]=3 4283 B12R1.386 O=CCCN1CCSC1C(=O)O 0d105e6ec78f4a60e29f184b30d5e2f2 [0,0,0,1,0,0|3,0,0]=4 4284 B12R1.386 O=CCCN1CSCC1C(=O)O 9bd5e714afd9d2a096c88d58023bb954 [0,0,0,1,0,0|3,0,0]=4 4285 B12R1.386 O=CCCN1CSC[C@@H]1C(=O)O 8f08771684357b5c7ec6dcb1c9f8813b [0,0,0,1,0,0|3,0,0]=4 4286 B12R1.386 O=CCCN1CSC[C@H]1C(=O)O 9f9cc70fcaaa64cb6b191abb043ad790 [0,0,0,1,0,0|3,0,0]=4 4287 B12R1.386 O=CCN[C@@H]1CCC[C@@H]1C(=O)O 47df8befd592e1d68457abf2fef0611f [0,0,0,1,0,0|2,0,0]=3 4288 B12R1.386 O=CCN[C@@H]1COC[C@@H]1C(=O)O 14033c1195c5fdbc4986fe1da66ce57c [0,0,0,1,0,0|3,0,0]=4 4289 B12R1.386 O=CCN[C@@H]1COC[C@H]1C(=O)O 4390ff3f4f71c46835cb935cc768315f [0,0,0,1,0,0|3,0,0]=4 4290 B12R1.386 O=CCN[C@H]1CCC[C@@H]1C(=O)O 3db89796227b57edff69f399771c4cd5 [0,0,0,1,0,0|2,0,0]=3 4291 B12R1.386 O=CCN[C@H]1CCC[C@H]1C(=O)O ac944f04ecbcca98fbad4240f3882e09 [0,0,0,1,0,0|2,0,0]=3 4292 B12R1.386 O=CCN[C@H]1COC[C@@H]1C(=O)O 7bbfffbde4764a93e48d56e8b33edbb3 [0,0,0,1,0,0|3,0,0]=4 4293 B12R1.386 O=CCN[C@H]1COC[C@H]1C(=O)O 62cc5192cc5b63cc7dccb65bfe5137a1 [0,0,0,1,0,0|3,0,0]=4 4294 B12R1.386 O=CCOC1CCCC1C(=O)O 99a8eb1350a0a63326319c1b65021390 [0,0,0,1,0,0|2,0,0]=3 4295 B12R1.386 O=CCO[C@@H]1CCC[C@@H]1C(=O)O bd200fef079b5ca482e79620842c5431 [0,0,0,1,0,0|2,0,0]=3 4296 B12R1.386 O=CCO[C@@H]1CCC[C@H]1C(=O)O d59394482c98dc1205372d397f0746be [0,0,0,1,0,0|2,0,0]=3 4297 B12R1.386 O=CCO[C@H]1CCC[C@H]1C(=O)O 556dac478d52ceae7888b4e9d1f6021f [0,0,0,1,0,0|2,0,0]=3 4298 B12R1.390 O=C(O)CCCCCNC1CC1 9d2efd054b2df89f273859f3cf87b696 [0,0,0,1,0,0|1,0,2]=4 4299 B12R1.390 O=C(O)CCCCCOC1CC1 d9f73c1f75605c8c666b29a2329ba2d3 [0,0,0,1,0,0|1,0,2]=4 4300 B12R1.390 O=C(O)CCCCNCC1CC1 2332e86a60f2402d937abc8d0f9b81a5 [0,0,0,1,0,0|1,0,2]=4 4301 B12R1.390 O=C(O)CCCCOCC1CC1 b7c6452faf2ef5cc08b9da872439324a [0,0,0,1,0,0|1,0,2]=4 4302 B12R1.390 O=C(O)CCCNCCC1CC1 21f7f789f47361c988dde0b9bcd8bb3a [0,0,0,1,0,0|1,0,2]=4 4303 B12R1.390 O=C(O)CCCOCCC1CC1 32c69780f07b26ee36a3826018eab396 [0,0,0,1,0,0|1,0,2]=4 4304 B12R1.390 O=C(O)CCOCCCC1CC1 a7571845e3911af88a130ff18aba8d17 [0,0,0,1,0,0|1,0,2]=4 4305 B12R1.395 C#C[C@H]1C[C@H]1COCCC(=O)O 14e35ed1d205e7dae187d93ffef15c78 [0,0,0,1,0,0|1,0,2]=4 4306 B12R1.395 CC(=O)CCCOC1CC1C=O 8da2df4b27bff2e1ac45008431d51bbb [0,0,0,1,0,0|3,0,0]=4 4307 B12R1.395 CO[C@H]1C[C@H]1NCCCC(=O)O ad1d60f6f4702b046f498e5d8b1a21fe [0,0,0,1,0,0|2,0,1]=4 4308 B12R1.395 N#CC1CC1COCCC(=O)O fc6c94b3baf90191149a615867925a68 [0,0,0,1,0,0|2,0,1]=4 4309 B12R1.395 NC(=O)CCCNC1CC1C=O 0b9a45555cf85d05176c1c682ff3ad49 [0,0,0,1,0,0|3,0,0]=4 4310 B12R1.395 NC(=O)CCCOC1CC1C=O 1f5c8718331064381156fdf3c5c8d779 [0,0,0,1,0,0|3,0,0]=4 4311 B12R1.395 O=C(O)CCCN[C@@H]1C[C@H]1CO cc724aef4eaaaa64e183525b1127b722 [0,0,0,1,0,0|2,0,1]=4 4312 B12R1.395 O=C(O)CCCN[C@H]1C[C@@H]1CO 3782d21718e3555a634047c373872711 [0,0,0,1,0,0|2,0,1]=4 4313 B12R1.395 O=C(O)CCCN[C@H]1C[C@H]1CO ec538050f9951292b0efa663bf89c09a [0,0,0,1,0,0|2,0,1]=4 4314 B12R1.395 O=C(O)CCNCC1CC1CO 01043809eaee99afab08e854591c30be [0,0,0,1,0,0|2,0,1]=4 4315 B12R1.395 O=CC1CC1NCCCC(=O)O 03ef0dbc8985d089ce4713c2b305dc10 [0,0,0,1,0,0|2,0,0]=3 4316 B12R1.405 CCN1CCCCCC1C(=O)O 28d0ecd95a31d5490656ce91b7ffad18 [0,0,0,1,0,0|1,0,2]=4 4317 B12R1.405 CCN1CCCCC[C@@H]1C(=O)O 1a87655fa87733b28a46795465e1469d [0,0,0,1,0,0|1,0,2]=4 4318 B12R1.405 CCN1CCCCC[C@H]1C(=O)O fbb1612037de3d2034737b6a6c708a12 [0,0,0,1,0,0|1,0,2]=4 4319 B12R1.405 O=C(O)C1CCCCCN1CF 90179ab866331e793378794bfacd4d7d [0,0,0,1,0,0|2,0,1]=4 4320 B12R1.405 O=C(O)C1CCCCCN1CO 551f428f8af6787ec64511784d37316c [0,0,0,1,0,0|2,0,1]=4 4321 B12R1.405 O=C(O)[C@@H]1CCCCCN1CF 1c1f5cf0f9211fe24434d4c2a8937469 [0,0,0,1,0,0|2,0,1]=4 4322 B12R1.405 O=C(O)[C@@H]1CCCCCN1CO a1707529d818563288a489327873d1d2 [0,0,0,1,0,0|2,0,1]=4 4323 B12R1.405 O=C(O)[C@H]1CCCCCN1CF 8364586d3c3e15746a34506e4d7b21ec [0,0,0,1,0,0|2,0,1]=4 4324 B12R1.405 O=C(O)[C@H]1CCCCCN1CO cfe3323652ae8854ea5458f4fe249b61 [0,0,0,1,0,0|2,0,1]=4 4325 B12R1.444 CCC1CCN1CCCC(=O)O b5261ace6f44f98d2d9e52cc6bfb60a9 [0,0,0,1,0,0|1,0,2]=4 4326 B12R1.444 COC1CCC1COCC(=O)O c56104ecefd1b129bea1e4a2ec20c7d1 [0,0,0,1,0,0|2,0,1]=4 4327 B12R1.444 COC1CCC1NCCC(=O)O 96c2433c34a02c14bbaabc360bc3801b [0,0,0,1,0,0|2,0,1]=4 4328 B12R1.444 CO[C@@H]1CC[C@@H]1COCC(=O)O 6036b89f4ab10c264b6a56a578159944 [0,0,0,1,0,0|2,0,1]=4 4329 B12R1.444 CO[C@@H]1CC[C@@H]1NCCC(=O)O 0cbdb1a267bdc0248726bf326089fcde [0,0,0,1,0,0|2,0,1]=4 4330 B12R1.444 CO[C@@H]1CC[C@H]1COCC(=O)O df86be5d95fac03d7213c5173772a862 [0,0,0,1,0,0|2,0,1]=4 4331 B12R1.444 CO[C@@H]1CC[C@H]1NCCC(=O)O 91966c8467c4440da1b0fa25b447a2f3 [0,0,0,1,0,0|2,0,1]=4 4332 B12R1.444 CO[C@H]1CC[C@@H]1NCCC(=O)O 60ce0bd23015afc0f92cbf1fc35439d7 [0,0,0,1,0,0|2,0,1]=4 4333 B12R1.444 CO[C@H]1CC[C@H]1NCCC(=O)O 862e72e3c7faeb3ce5376b3d99a12c82 [0,0,0,1,0,0|2,0,1]=4 4334 B12R1.444 O=C(O)CCCN1CCC1CO 3fa7368fd8c1506d4a1719fa81b20134 [0,0,0,1,0,0|2,0,1]=4 4335 B12R1.444 O=C(O)CCCN1CC[C@@H]1CO b22cfc7555edb4b943e8fb5bb6db0777 [0,0,0,1,0,0|2,0,1]=4 4336 B12R1.444 O=C(O)CCCN1CC[C@H]1CO 1756ccb1346d200da5608ec071ef897c [0,0,0,1,0,0|2,0,1]=4 4337 B12R1.459 C=CCCNC1CCCC1(C)O bf83c6c7dc10e60171fb78f082bfce99 [0,0,0,1,0,0|2,0,1]=4 4338 B12R1.459 C=CCCN[C@@H]1CCC[C@@]1(C)O b3375948d60c305e78d957f2c1d66410 [0,0,0,1,0,0|2,0,1]=4 4339 B12R1.459 C=CCCN[C@H]1CCC[C@]1(C)O 5739df8749177b6b194520754f0fb7ff [0,0,0,1,0,0|2,0,1]=4 4340 B12R1.459 C=CCOCC1CCCS1(=O)=O 2f90bbb21249d01cbb181552b22201e3 [0,0,0,1,0,0|2,0,1]=4 4341 B12R1.522 C#CCCCN1CCC1C(=O)O a219f23afa044b759684d6c7f5f0f5c6 [0,0,0,1,0,0|1,0,2]=4 4342 B12R1.522 C#CCCCN1CC[C@@H]1C(=O)O dd922357d427518f5e16eb59fdf72edf [0,0,0,1,0,0|1,0,2]=4 4343 B12R1.522 C#CCCCN1CC[C@H]1C(=O)O b5118a22b86a1196847a9648fb61f7dc [0,0,0,1,0,0|1,0,2]=4 4344 B12R1.522 C#CCCN[C@H]1CC[C@H]1C(=O)O 50eb971f07738e5ae799fa58b4ca44ae [0,0,0,1,0,0|1,0,2]=4 4345 B12R1.522 C#CCCOC1CCC1C(=O)O a8d47218105fd83e83b1b541e85945a8 [0,0,0,1,0,0|1,0,2]=4 4346 B12R1.522 C#CCCO[C@H]1CC[C@@H]1C(=O)O 53f0b662e44e9c83b2cb1b2414382799 [0,0,0,1,0,0|1,0,2]=4 4347 B12R1.522 C/C=C/CN[C@H]1CC[C@H]1C(=O)O 9d8c4a872140a7df88d027fdeef081df [0,0,0,1,0,0|1,0,2]=4 4348 B12R1.522 C/C=C/COC1CCC1C(=O)O c27f7e59c7fe2f9e5bb8e795633a6422 [0,0,0,1,0,0|1,0,2]=4 4349 B12R1.522 C/C=C/CO[C@H]1CC[C@@H]1C(=O)O 39a7c8ca521810e83e2977fc2faf5a51 [0,0,0,1,0,0|1,0,2]=4 4350 B12R1.522 C/C=C\CN[C@H]1CC[C@H]1C(=O)O 72388e3dd02de23ff248538d70d38a92 [0,0,0,1,0,0|1,0,2]=4 4351 B12R1.522 C/C=C\COC1CCC1C(=O)O 193106378aa10e56b9773260a38466f6 [0,0,0,1,0,0|1,0,2]=4 4352 B12R1.522 C/C=C\CO[C@H]1CC[C@@H]1C(=O)O 4c02bcbf6bb27b07a075a52ff93aa221 [0,0,0,1,0,0|1,0,2]=4 4353 B12R1.522 C=CCCCN1CCC1C(=O)N 85b00ce4ebf688a20107cc985b056a63 [0,0,0,1,0,0|2,0,0]=3 4354 B12R1.522 C=CCCCN1CCC1C(=O)O 13591a647783614702ee6c2a9d21996e [0,0,0,1,0,0|1,0,0]=2 4355 B12R1.522 C=CCCCN1CC[C@@H]1C(=O)N c4259bb5d9aced05cb8339ac31ea913a [0,0,0,1,0,0|2,0,0]=3 4356 B12R1.522 C=CCCCN1CC[C@@H]1C(=O)O 1cd34028c7b7cc785257577187b71ea1 [0,0,0,1,0,0|1,0,0]=2 4357 B12R1.522 C=CCCCN1CC[C@H]1C(=O)N 3680b56b8921f9bff245ab9c78834556 [0,0,0,1,0,0|2,0,0]=3 4358 B12R1.522 C=CCCCN1CC[C@H]1C(=O)O 348ef31ab55fa31304177ae2770ee90d [0,0,0,1,0,0|1,0,0]=2 4359 B12R1.522 C=CCCN[C@H]1CC[C@H]1C(=O)O 903bc66f3bc5c4641201f30c571dd564 [0,0,0,1,0,0|1,0,0]=2 4360 B12R1.522 C=CCCOC1CCC1C(=O)O d1494f74e448a594aa2dad8ee54dc977 [0,0,0,1,0,0|1,0,0]=2 4361 B12R1.522 C=CCCO[C@H]1CC[C@@H]1C(=O)O 03a093606b6baae31aa6945b2c9cfcf1 [0,0,0,1,0,0|1,0,0]=2 4362 B12R1.522 C=CCOCC1CCN1C(=O)C 59fcac15face9e2d2b917851b8914c91 [0,0,0,1,0,0|3,0,0]=4 4363 B12R1.522 CCCCCN1CCC1C(=O)O 868ef6ee956f72f47502d06d7f48c294 [0,0,0,1,0,0|1,0,2]=4 4364 B12R1.522 CCCCCN1CC[C@@H]1C(=O)O 527dfc21ae8859936644a484936e3ac3 [0,0,0,1,0,0|1,0,2]=4 4365 B12R1.522 CCCCCN1CC[C@H]1C(=O)O e660d12881171deded76f2ed1f507815 [0,0,0,1,0,0|1,0,2]=4 4366 B12R1.522 CCCCN[C@H]1CC[C@H]1C(=O)O 0718609899241007041aea70c5170d05 [0,0,0,1,0,0|1,0,2]=4 4367 B12R1.522 CCCCOC1CCC1C(=O)O 31fb62568f257eeb7251cdcb2723daa8 [0,0,0,1,0,0|1,0,2]=4 4368 B12R1.522 CCCCO[C@H]1CC[C@@H]1C(=O)O be56f78fbaef715fca1975af1b02085e [0,0,0,1,0,0|1,0,2]=4 4369 B12R1.522 COCCCN1CCC1C(=O)O 4c04f77b8c5451a95c46d91468903b32 [0,0,0,1,0,0|2,0,1]=4 4370 B12R1.522 COCCCN1CC[C@@H]1C(=O)O b2c8780de8d91811dd704396951ed7f6 [0,0,0,1,0,0|2,0,1]=4 4371 B12R1.522 COCCCN1CC[C@H]1C(=O)O fae27c4709f4aa2338fa88c88f9d1972 [0,0,0,1,0,0|2,0,1]=4 4372 B12R1.522 COCCN[C@H]1CC[C@H]1C(=O)O c12e6dcada4763795e6b83db8c78e8f8 [0,0,0,1,0,0|2,0,1]=4 4373 B12R1.522 COCCOC1CCC1C(=O)O a048c04e9d2f47aa68817190aba9469d [0,0,0,1,0,0|2,0,1]=4 4374 B12R1.522 COCCO[C@H]1CC[C@@H]1C(=O)O ca155855363ca8d0ef0039f2495838f8 [0,0,0,1,0,0|2,0,1]=4 4375 B12R1.522 CSCCCN1CCC1C(=O)O 78d720cc9ea85ba5a7878fd8a2e5f141 [0,0,0,1,0,0|2,0,1]=4 4376 B12R1.522 CSCCCN1CC[C@@H]1C(=O)O a16c0a571512e1b56040961900f0b671 [0,0,0,1,0,0|2,0,1]=4 4377 B12R1.522 CSCCCN1CC[C@H]1C(=O)O 5520628f947f5d19d065f54447f27297 [0,0,0,1,0,0|2,0,1]=4 4378 B12R1.522 CSCCN[C@H]1CC[C@H]1C(=O)O 344f9179b37b845d0d2bcce8106dc7b3 [0,0,0,1,0,0|2,0,1]=4 4379 B12R1.522 CSCCOC1CCC1C(=O)O 5e78ae2cd5097cad4841608696774e10 [0,0,0,1,0,0|2,0,1]=4 4380 B12R1.522 CSCCO[C@H]1CC[C@@H]1C(=O)O f5fb043c1cb012864ac76d741f6b2847 [0,0,0,1,0,0|2,0,1]=4 4381 B12R1.522 N#CCCCN1CCC1C(=O)O 913d145949f8b04cd778dd80fb19e6a0 [0,0,0,1,0,0|2,0,1]=4 4382 B12R1.522 N#CCCCN1CC[C@@H]1C(=O)O b04a4992ef6fc1c1363d44b5bd67db13 [0,0,0,1,0,0|2,0,1]=4 4383 B12R1.522 N#CCCCN1CC[C@H]1C(=O)O 0d49b2984dab279ebc6cd2af558161cf [0,0,0,1,0,0|2,0,1]=4 4384 B12R1.522 N#CCCN[C@H]1CC[C@H]1C(=O)O 86b44bcf5f1e3c0bf7915d039e9d9f8d [0,0,0,1,0,0|2,0,1]=4 4385 B12R1.522 N#CCCOC1CCC1C(=O)O f9b93de8aa585931b3c3622935c9bac8 [0,0,0,1,0,0|2,0,1]=4 4386 B12R1.522 N#CCCO[C@H]1CC[C@@H]1C(=O)O c4358257b2a27c60e631a8f900161ff9 [0,0,0,1,0,0|2,0,1]=4 4387 B12R1.522 NC(=O)C1CCN1CCCC=O 28b36f6b139d3e7719f66c5cfae76f8d [0,0,0,1,0,0|3,0,0]=4 4388 B12R1.522 NC(=O)[C@@H]1CCN1CCCC=O 30afad068894827af1c5ba9a82de4eb4 [0,0,0,1,0,0|3,0,0]=4 4389 B12R1.522 NC(=O)[C@H]1CCN1CCCC=O 9f7bd8aa1fd5ff6e2c931f8c2e7bdc2a [0,0,0,1,0,0|3,0,0]=4 4390 B12R1.522 O=C(O)C1CCC1OC/C=C/Cl 412258a184ec2762b08d158e94946291 [0,0,0,1,0,0|2,0,1]=4 4391 B12R1.522 O=C(O)C1CCC1OC/C=C\Cl eaf3d92ab8734050b67e15217e666760 [0,0,0,1,0,0|2,0,1]=4 4392 B12R1.522 O=C(O)C1CCC1OCCCF 9668454f37ca32411decfbb83b7dda0c [0,0,0,1,0,0|2,0,1]=4 4393 B12R1.522 O=C(O)C1CCC1OCCCS e4f0d54b25093bf3fb79745940ab9378 [0,0,0,1,0,0|2,0,1]=4 4394 B12R1.522 O=C(O)C1CCN1CCCCF 89e2e4c5c505be27958eeadc5d993cd1 [0,0,0,1,0,0|2,0,1]=4 4395 B12R1.522 O=C(O)C1CCN1CCCCO 482d3f8fb7a7c917aa957866b3876ad3 [0,0,0,1,0,0|2,0,1]=4 4396 B12R1.522 O=C(O)[C@@H]1CCN1CCCCF 6ef5e610fd561f0f014bf0006929a210 [0,0,0,1,0,0|2,0,1]=4 4397 B12R1.522 O=C(O)[C@@H]1CCN1CCCCO 9ac3555e2b2757d88e0b495b078945c4 [0,0,0,1,0,0|2,0,1]=4 4398 B12R1.522 O=C(O)[C@@H]1CC[C@@H]1NC/C=C/Cl 114df5f8e09bf443c9697daceecc8efc [0,0,0,1,0,0|2,0,1]=4 4399 B12R1.522 O=C(O)[C@@H]1CC[C@@H]1NC/C=C\Cl d5f4bd8b43de285f485ea30ac26be387 [0,0,0,1,0,0|2,0,1]=4 4400 B12R1.522 O=C(O)[C@@H]1CC[C@@H]1NC/C=C\O 36bfb6f4e4c87eb05cec2abba9b1f507 [0,0,0,1,0,0|2,0,1]=4 4401 B12R1.522 O=C(O)[C@@H]1CC[C@@H]1NCCCF 6f7ae8a08e2efb1904dc168cce52fc2f [0,0,0,1,0,0|2,0,1]=4 4402 B12R1.522 O=C(O)[C@@H]1CC[C@@H]1NCCCO 9608bb605098053f71115b67f26c9564 [0,0,0,1,0,0|2,0,1]=4 4403 B12R1.522 O=C(O)[C@@H]1CC[C@@H]1NCCCS c81802dfd3821a06c84154d7d22acfbe [0,0,0,1,0,0|2,0,1]=4 4404 B12R1.522 O=C(O)[C@H]1CCN1CCCCF 4206b12f34afb79e5af72ab0a04d3c22 [0,0,0,1,0,0|2,0,1]=4 4405 B12R1.522 O=C(O)[C@H]1CCN1CCCCO f342c7366bf2b3cfc66aeea4374d727f [0,0,0,1,0,0|2,0,1]=4 4406 B12R1.522 O=C(O)[C@H]1CC[C@@H]1OC/C=C/Cl 39dab21e68d7b86069278e8bb1cd9682 [0,0,0,1,0,0|2,0,1]=4 4407 B12R1.522 O=C(O)[C@H]1CC[C@@H]1OC/C=C\Cl 237730c7f3324eff38d9ebe4da8c0d18 [0,0,0,1,0,0|2,0,1]=4 4408 B12R1.522 O=C(O)[C@H]1CC[C@@H]1OCCCF cfc12796cadd44df35cad07ba31d2d46 [0,0,0,1,0,0|2,0,1]=4 4409 B12R1.522 O=C(O)[C@H]1CC[C@@H]1OCCCS c72b48807135e696bf35b8ba04346837 [0,0,0,1,0,0|2,0,1]=4 4410 B12R1.522 O=CCCCN1CCC1C(=O)O d2f1c5be54411d0ab5ac022d82532d3b [0,0,0,1,0,0|2,0,0]=3 4411 B12R1.522 O=CCCCN1CC[C@@H]1C(=O)O 4b699d7a1e00600c68e311ab4076ee3d [0,0,0,1,0,0|2,0,0]=3 4412 B12R1.522 O=CCCCN1CC[C@H]1C(=O)O 4e9a628e8fe14f6785903619d6d6f465 [0,0,0,1,0,0|2,0,0]=3 4413 B12R1.522 O=CCCN[C@H]1CC[C@H]1C(=O)O f011a5a6d6555ff67122eb3f6832eb52 [0,0,0,1,0,0|2,0,0]=3 4414 B12R1.522 O=CCCOC1CCC1C(=O)O f496626680eb8776c2880301c5986763 [0,0,0,1,0,0|2,0,0]=3 4415 B12R1.522 O=CCCO[C@H]1CC[C@@H]1C(=O)O 8ab52c0580ffe2bffb56ae3a75f0fdb4 [0,0,0,1,0,0|2,0,0]=3 4416 B12R1.842 C=CCCNCC1CCS1(=O)=O 25ba806c8390e92000ef973f7dbc5c49 [0,0,0,1,0,0|2,0,1]=4 4417 B12R1.842 C=CCCOCC1CCS1(=O)=O 158061a89e9613e2920e6f812ea6955c [0,0,0,1,0,0|2,0,1]=4 4418 B12R1.1343 O=C(O)CCN1CCCCCC1 6ed2e90f731eac4e658979eda5d73780 [0,0,0,1,0,0|1,0,2]=4 4419 B12R1.1343 O=C(O)CNC1CCCCCC1 3682f9e28927883757889fb3d93aede3 [0,0,0,1,0,0|1,0,2]=4 4420 B12R1.1343 O=C(O)COC1CCCCCC1 7e5cc9ed47a0c03f4fe7fb85c985896c [0,0,0,1,0,0|1,0,2]=4 4421 B12R1.1392 CC(=O)NC1/C=C\CCCCC1 514e90806d1a743f5d7039b67252c8aa [0,0,0,1,0,0|2,0,0]=3 4422 B12R1.1392 O=C(O)CN1CCCCCCC1 b947e4536c1423929c78c658665cc4c1 [0,0,0,1,0,0|1,0,2]=4 4423 B12R1.1755 C#CCCCN[C@@H]1C[C@@H]1C(=O)O 08ac206ffd8430632b14c5b5f2cedc03 [0,0,0,1,0,0|1,0,2]=4 4424 B12R1.1755 C#CCCCN[C@H]1C[C@@H]1C(=O)O a629e1af881558bdea681ed9bb511dff [0,0,0,1,0,0|1,0,2]=4 4425 B12R1.1755 C#CCCCN[C@H]1C[C@H]1C(=O)O d220c4d63cfc61abf857b99c384dc1fa [0,0,0,1,0,0|1,0,2]=4 4426 B12R1.1755 C#CCCCO[C@@H]1C[C@@H]1C(=O)O b246829e675aec4139c397f1a8d3ff05 [0,0,0,1,0,0|1,0,2]=4 4427 B12R1.1755 C#CCCCO[C@H]1C[C@@H]1C(=O)O 5a8bd2001b65f1c8454ae750f7a5059f [0,0,0,1,0,0|1,0,2]=4 4428 B12R1.1755 C#CCCCO[C@H]1C[C@H]1C(=O)O dc13719dd05eac105f3511f4789456b2 [0,0,0,1,0,0|1,0,2]=4 4429 B12R1.1755 C#CCCNCC1CC1C(=O)O 5f666d354ce1a54b21cf73cffa25a577 [0,0,0,1,0,0|1,0,2]=4 4430 B12R1.1755 C#CCCNC[C@@H]1C[C@H]1C(=O)O 54903ed4051a59703d984d6fcae7a2f6 [0,0,0,1,0,0|1,0,2]=4 4431 B12R1.1755 C#CCCOCC1CC1C(=O)O 5f28aa85fb339d98a08b9e70c6f9b96d [0,0,0,1,0,0|1,0,2]=4 4432 B12R1.1755 C#CCCOC[C@@H]1C[C@H]1C(=O)O 65b29898533df1ef25049205a0f68fbd [0,0,0,1,0,0|1,0,2]=4 4433 B12R1.1755 C#CCCOC[C@H]1C[C@@H]1C(=O)O 34eee01b40dd7ab00b58af4ca26fc15f [0,0,0,1,0,0|1,0,2]=4 4434 B12R1.1755 C#CCCOC[C@H]1C[C@H]1C(=O)O 570113f2199658af60be68654e2c1964 [0,0,0,1,0,0|1,0,2]=4 4435 B12R1.1755 C/C=C/CCO[C@@H]1C[C@@H]1C(=O)O 919d0d0b49ee02ae723717fe2b1ead53 [0,0,0,1,0,0|1,0,2]=4 4436 B12R1.1755 C/C=C/CCO[C@H]1C[C@@H]1C(=O)O 24e3ecd205a5683030ae4d97e293af10 [0,0,0,1,0,0|1,0,2]=4 4437 B12R1.1755 C/C=C/CCO[C@H]1C[C@H]1C(=O)O 2f5cb87e5870ae93608851468eb432ea [0,0,0,1,0,0|1,0,2]=4 4438 B12R1.1755 C/C=C/CNC[C@@H]1C[C@H]1C(=O)O b3220304c1e36156ace09f2ba4cd29e2 [0,0,0,1,0,0|1,0,2]=4 4439 B12R1.1755 C/C=C/COCC1CC1C(=O)O cced6d1e8802260c6a73cd18b675f3b1 [0,0,0,1,0,0|1,0,2]=4 4440 B12R1.1755 C/C=C/COC[C@@H]1C[C@H]1C(=O)O e4625a367bd55b98f9d2d5552b985404 [0,0,0,1,0,0|1,0,2]=4 4441 B12R1.1755 C/C=C/COC[C@H]1C[C@@H]1C(=O)O 9f45dac1db426ad9832c066732966344 [0,0,0,1,0,0|1,0,2]=4 4442 B12R1.1755 C/C=C/COC[C@H]1C[C@H]1C(=O)O 9385ad8cde8092f1d4f8a19977289c89 [0,0,0,1,0,0|1,0,2]=4 4443 B12R1.1755 C/C=C\CNC[C@@H]1C[C@H]1C(=O)O df1cba9cad5a9d42d68ed42c3acf1c56 [0,0,0,1,0,0|1,0,2]=4 4444 B12R1.1755 C/C=C\COCC1CC1C(=O)O fdd13d9477783aada04338d48ddb86e5 [0,0,0,1,0,0|1,0,2]=4 4445 B12R1.1755 C/C=C\COC[C@@H]1C[C@H]1C(=O)O dbdd7275fee809479e4d2e7b7f04f794 [0,0,0,1,0,0|1,0,2]=4 4446 B12R1.1755 C/C=C\COC[C@H]1C[C@@H]1C(=O)O 8ae77fb7d3942657d9a9f223ea8c7fee [0,0,0,1,0,0|1,0,2]=4 4447 B12R1.1755 C/C=C\COC[C@H]1C[C@H]1C(=O)O 0baf289e70da77aca1a25406f6098c94 [0,0,0,1,0,0|1,0,2]=4 4448 B12R1.1755 C=C=CCCO[C@@H]1C[C@@H]1C(=O)O 099497c4af8fa992a87a1de31b184dd3 [0,0,0,1,0,0|1,0,2]=4 4449 B12R1.1755 C=C=CCCO[C@H]1C[C@@H]1C(=O)O c2d3c0f095ec2ea09ed48a8ece59447d [0,0,0,1,0,0|1,0,2]=4 4450 B12R1.1755 C=C=CCCO[C@H]1C[C@H]1C(=O)O 5d388d706b553400dab53426b9cc22c5 [0,0,0,1,0,0|1,0,2]=4 4451 B12R1.1755 C=CCCCN[C@@H]1C[C@@H]1C(=O)O 96137732ce417876b5b349444f2265cc [0,0,0,1,0,0|1,0,0]=2 4452 B12R1.1755 C=CCCCN[C@H]1C[C@@H]1C(=O)O eb4c5aded294ddfd6f823d15270e816b [0,0,0,1,0,0|1,0,0]=2 4453 B12R1.1755 C=CCCCN[C@H]1C[C@H]1C(=O)O fe6fad41791b5724e7511f70ab6d8029 [0,0,0,1,0,0|1,0,0]=2 4454 B12R1.1755 C=CCCCO[C@@H]1C[C@@H]1C(=O)O 3a6b48925448328c961811b18a6f1a57 [0,0,0,1,0,0|1,0,0]=2 4455 B12R1.1755 C=CCCCO[C@H]1C[C@@H]1C(=O)O 01e704060cc5204a68477dd314afc042 [0,0,0,1,0,0|1,0,0]=2 4456 B12R1.1755 C=CCCCO[C@H]1C[C@H]1C(=O)O 141ecc67ece34a0c7c3ac159423782d8 [0,0,0,1,0,0|1,0,0]=2 4457 B12R1.1755 C=CCCNCC1CC1C(=O)O dce29f4b7af42f26aee43edb02e8ca72 [0,0,0,1,0,0|1,0,0]=2 4458 B12R1.1755 C=CCCNC[C@@H]1C[C@H]1C(=O)O 152889971736750c8ae983190a047e1e [0,0,0,1,0,0|1,0,0]=2 4459 B12R1.1755 C=CCCOCC1CC1C(=O)O 08e09e2fe9be8246f25c0e7bbcb6ec69 [0,0,0,1,0,0|1,0,0]=2 4460 B12R1.1755 C=CCCOC[C@@H]1C[C@H]1C(=O)O ce89d95e7509a79d39a3ed7b3df81a5a [0,0,0,1,0,0|1,0,0]=2 4461 B12R1.1755 C=CCCOC[C@H]1C[C@@H]1C(=O)O fa709b7d737b998623bff4cd335f1bbf [0,0,0,1,0,0|1,0,0]=2 4462 B12R1.1755 C=CCCOC[C@H]1C[C@H]1C(=O)O 37e5000709cd3c4dcd6632ee4060526a [0,0,0,1,0,0|1,0,0]=2 4463 B12R1.1755 C=COCCN[C@@H]1C[C@@H]1C(=O)O 3c09a524e65b1cc443124d4c82107205 [0,0,0,1,0,0|2,0,0]=3 4464 B12R1.1755 C=COCCN[C@H]1C[C@@H]1C(=O)O d4a81ccccd28ed8c5083d79ace8aaf72 [0,0,0,1,0,0|2,0,0]=3 4465 B12R1.1755 C=COCCN[C@H]1C[C@H]1C(=O)O 954eac33edafdf38dca8251634ed8f28 [0,0,0,1,0,0|2,0,0]=3 4466 B12R1.1755 C=COCCO[C@@H]1C[C@@H]1C(=O)O dba564ce57776052eacd3171d21171ad [0,0,0,1,0,0|2,0,0]=3 4467 B12R1.1755 C=COCCO[C@H]1C[C@@H]1C(=O)O 28f389f971e81c3136200b1dbccba578 [0,0,0,1,0,0|2,0,0]=3 4468 B12R1.1755 C=COCCO[C@H]1C[C@H]1C(=O)O 4859a3f39867fdfad549de8b849f53d9 [0,0,0,1,0,0|2,0,0]=3 4469 B12R1.1755 CC=CCNCC1CC1C(=O)O 56bd7600d3a2eed83a7a186f1cf75084 [0,0,0,1,0,0|1,0,2]=4 4470 B12R1.1755 CC=CCNC[C@@H]1C[C@H]1C(=O)O aa5508b38d4c108b95ae00cafb963db4 [0,0,0,1,0,0|1,0,2]=4 4471 B12R1.1755 CC=CCOCC1CC1C(=O)O 67fde6d13201c71e51e179372b8bf1ca [0,0,0,1,0,0|1,0,2]=4 4472 B12R1.1755 CC=CCOC[C@@H]1C[C@H]1C(=O)O 740c9bad20cad5651e37bbf7700a267b [0,0,0,1,0,0|1,0,2]=4 4473 B12R1.1755 CCCCCN[C@@H]1C[C@@H]1C(=O)O dc7a208490e75010e46b3e231a3c362e [0,0,0,1,0,0|1,0,2]=4 4474 B12R1.1755 CCCCCN[C@H]1C[C@@H]1C(=O)O aee5fbd6b6032990369b006524f546be [0,0,0,1,0,0|1,0,2]=4 4475 B12R1.1755 CCCCCN[C@H]1C[C@H]1C(=O)O d63ff5065e1e05c318a77db19eca620a [0,0,0,1,0,0|1,0,2]=4 4476 B12R1.1755 CCCCCO[C@@H]1C[C@@H]1C(=O)O 0de3b40982f4bf69442cd8f4f5d3369c [0,0,0,1,0,0|1,0,2]=4 4477 B12R1.1755 CCCCCO[C@H]1C[C@@H]1C(=O)O a35a1e2087a6e5cd445b48ca19572c22 [0,0,0,1,0,0|1,0,2]=4 4478 B12R1.1755 CCCCCO[C@H]1C[C@H]1C(=O)O ac5e67675507d1b46d847e01c497f0b1 [0,0,0,1,0,0|1,0,2]=4 4479 B12R1.1755 CCCCNCC1CC1C(=O)O 54459448b6659e20c9715d1a25cea263 [0,0,0,1,0,0|1,0,2]=4 4480 B12R1.1755 CCCCNC[C@@H]1C[C@H]1C(=O)O 724c370bbd468c0a2cdb3f6046b9bb3b [0,0,0,1,0,0|1,0,2]=4 4481 B12R1.1755 CCCCOCC1CC1C(=O)O 1540be510903897b88d1579006ee0d5a [0,0,0,1,0,0|1,0,2]=4 4482 B12R1.1755 CCCCOC[C@@H]1C[C@H]1C(=O)O 636afe16e837ecf8e8261d29f171be53 [0,0,0,1,0,0|1,0,2]=4 4483 B12R1.1755 CCCCOC[C@H]1C[C@@H]1C(=O)O fff6cd54ae73d4eec9d728a0fd3fb6e7 [0,0,0,1,0,0|1,0,2]=4 4484 B12R1.1755 CCCCOC[C@H]1C[C@H]1C(=O)O 5827add97c6eb51837ecdbdf511fc88f [0,0,0,1,0,0|1,0,2]=4 4485 B12R1.1755 COCCCN[C@@H]1C[C@@H]1C(=O)O 314f4f854ece1d6f9d60bd8a85e2fab4 [0,0,0,1,0,0|2,0,1]=4 4486 B12R1.1755 COCCCN[C@H]1C[C@@H]1C(=O)O a19ccab3d328b9a8c7eb4076b16081e7 [0,0,0,1,0,0|2,0,1]=4 4487 B12R1.1755 COCCCN[C@H]1C[C@H]1C(=O)O 2fc814e81c9631697ee7ab0e02fbf6b3 [0,0,0,1,0,0|2,0,1]=4 4488 B12R1.1755 COCCCO[C@@H]1C[C@@H]1C(=O)O 6009b1eb759a0eae5dca34c895c55ad4 [0,0,0,1,0,0|2,0,1]=4 4489 B12R1.1755 COCCCO[C@H]1C[C@@H]1C(=O)O 69334578e146dec1dd3ff7d31d6220a8 [0,0,0,1,0,0|2,0,1]=4 4490 B12R1.1755 COCCCO[C@H]1C[C@H]1C(=O)O 89a2afed3e51e1cbf6b960bf23dba3b5 [0,0,0,1,0,0|2,0,1]=4 4491 B12R1.1755 COCCNCC1CC1C(=O)O e40b42a80b578a9b2e41b61f99bffdaf [0,0,0,1,0,0|2,0,1]=4 4492 B12R1.1755 COCCNC[C@@H]1C[C@H]1C(=O)O 60b4a6f43cd33fe4088dda0682a95b3c [0,0,0,1,0,0|2,0,1]=4 4493 B12R1.1755 COCCOCC1CC1C(=O)O 586342ba992600b18e9baa2f4264ae9d [0,0,0,1,0,0|2,0,1]=4 4494 B12R1.1755 COCCOC[C@@H]1C[C@H]1C(=O)O e411dbbae3388a2033b4619c86c0dadd [0,0,0,1,0,0|2,0,1]=4 4495 B12R1.1755 COCCOC[C@H]1C[C@@H]1C(=O)O 644c31e23936d4fe281a297e09097dd3 [0,0,0,1,0,0|2,0,1]=4 4496 B12R1.1755 COCCOC[C@H]1C[C@H]1C(=O)O 85b644a30ffa6baaca8374d5da3b6767 [0,0,0,1,0,0|2,0,1]=4 4497 B12R1.1755 CSCCCN[C@@H]1C[C@@H]1C(=O)O 766ccbf56c879169973080185e6af941 [0,0,0,1,0,0|2,0,1]=4 4498 B12R1.1755 CSCCCN[C@H]1C[C@@H]1C(=O)O 33c28b7dc321aace36abd287f82e3057 [0,0,0,1,0,0|2,0,1]=4 4499 B12R1.1755 CSCCCN[C@H]1C[C@H]1C(=O)O c67296880a98ecf92d2e09140c9ec624 [0,0,0,1,0,0|2,0,1]=4 4500 B12R1.1755 CSCCCO[C@@H]1C[C@@H]1C(=O)O e7d8b0bfc150be2af60c374772ae2406 [0,0,0,1,0,0|2,0,1]=4 4501 B12R1.1755 CSCCCO[C@H]1C[C@@H]1C(=O)O 66263885c33b72ca65c76ab279b40be1 [0,0,0,1,0,0|2,0,1]=4 4502 B12R1.1755 CSCCCO[C@H]1C[C@H]1C(=O)O a28db2134774264fad43c0451a7d3a0f [0,0,0,1,0,0|2,0,1]=4 4503 B12R1.1755 CSCCNCC1CC1C(=O)O 4230753b5e36bc3777400bf1809aa5c4 [0,0,0,1,0,0|2,0,1]=4 4504 B12R1.1755 CSCCNC[C@@H]1C[C@H]1C(=O)O c7801a9f487ac036ea509d6790bb430b [0,0,0,1,0,0|2,0,1]=4 4505 B12R1.1755 CSCCOCC1CC1C(=O)O 6d9b3fd206a13950f5a944c02ae0dad8 [0,0,0,1,0,0|2,0,1]=4 4506 B12R1.1755 CSCCOC[C@@H]1C[C@H]1C(=O)O c6a103a07bbe2cfcb44251ee2af2c565 [0,0,0,1,0,0|2,0,1]=4 4507 B12R1.1755 CSCCOC[C@H]1C[C@@H]1C(=O)O 55861ec51c40dafe1cc5e22a7bb8f999 [0,0,0,1,0,0|2,0,1]=4 4508 B12R1.1755 CSCCOC[C@H]1C[C@H]1C(=O)O 2d046a5104e10e694cf43d28f637140c [0,0,0,1,0,0|2,0,1]=4 4509 B12R1.1755 N#CCCCN[C@@H]1C[C@@H]1C(=O)O c2364099e20164b4977b0d11c934c6fd [0,0,0,1,0,0|2,0,1]=4 4510 B12R1.1755 N#CCCCN[C@H]1C[C@@H]1C(=O)O 5394c4736f3f81ce9daa341b5efb5688 [0,0,0,1,0,0|2,0,1]=4 4511 B12R1.1755 N#CCCCN[C@H]1C[C@H]1C(=O)O e736b23570ff3c8af37a622ca9044a36 [0,0,0,1,0,0|2,0,1]=4 4512 B12R1.1755 N#CCCCO[C@@H]1C[C@@H]1C(=O)O efc66c67ca4c2cfa5900ab8e2e163bf4 [0,0,0,1,0,0|2,0,1]=4 4513 B12R1.1755 N#CCCCO[C@H]1C[C@@H]1C(=O)O 94410b9ea86c1e5b44dad0341a514803 [0,0,0,1,0,0|2,0,1]=4 4514 B12R1.1755 N#CCCCO[C@H]1C[C@H]1C(=O)O 3d0f21a3de18e1beb2c52a11ff9869be [0,0,0,1,0,0|2,0,1]=4 4515 B12R1.1755 N#CCCNCC1CC1C(=O)O 0740d0a4182b1263f4202829b1cdffd2 [0,0,0,1,0,0|2,0,1]=4 4516 B12R1.1755 N#CCCNC[C@@H]1C[C@H]1C(=O)O 95b2158683848c201da5a0b4d6afc7a5 [0,0,0,1,0,0|2,0,1]=4 4517 B12R1.1755 N#CCCOCC1CC1C(=O)O 18644544c814d5ec64b73dcbd5e35473 [0,0,0,1,0,0|2,0,1]=4 4518 B12R1.1755 N#CCCOC[C@@H]1C[C@H]1C(=O)O 4176bb87f1c5af27f59cc679aa4e7bea [0,0,0,1,0,0|2,0,1]=4 4519 B12R1.1755 N#CCCOC[C@H]1C[C@@H]1C(=O)O 7f874e94aabd9a036fa441581e9c4355 [0,0,0,1,0,0|2,0,1]=4 4520 B12R1.1755 N#CCCOC[C@H]1C[C@H]1C(=O)O 38223e73f4258029c14514f5b299331e [0,0,0,1,0,0|2,0,1]=4 4521 B12R1.1755 NOCCNCC1CC1C(=O)O 68ae8553fd0badbff345273bb55d038a [0,0,0,1,0,0|3,0,0]=4 4522 B12R1.1755 NOCCNC[C@@H]1C[C@H]1C(=O)O c5a7aab5c518608d76e5381161417791 [0,0,0,1,0,0|3,0,0]=4 4523 B12R1.1755 O=C(O)C1CC1CNCCCCl ddc6ec5d1930512dc4403a68da29709b [0,0,0,1,0,0|2,0,1]=4 4524 B12R1.1755 O=C(O)C1CC1CNCCCO d770801456a8cc956086b2de1eaf7023 [0,0,0,1,0,0|2,0,1]=4 4525 B12R1.1755 O=C(O)C1CC1COC/C=C/Cl a65e2ed1b8997a184d4e1ff43ed29e1f [0,0,0,1,0,0|2,0,1]=4 4526 B12R1.1755 O=C(O)C1CC1COC/C=C\Cl d4589b510da83d7518b52eafa93a2b69 [0,0,0,1,0,0|2,0,1]=4 4527 B12R1.1755 O=C(O)C1CC1COCC=CCl 12a4858478c48c1aae7cc784846a57f3 [0,0,0,1,0,0|2,0,1]=4 4528 B12R1.1755 O=C(O)C1CC1COCCCF 3f1fa94c93f8f14653d660c6cca3fdb4 [0,0,0,1,0,0|2,0,1]=4 4529 B12R1.1755 O=C(O)C1CC1COCCCS 32f6dd4b641aba10a64bc85b69291c2d [0,0,0,1,0,0|2,0,1]=4 4530 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1COC/C=C/Cl 091305d10f83b224b462de3dff9532b3 [0,0,0,1,0,0|2,0,1]=4 4531 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1COC/C=C\Cl 2affd9982b05b27763e76b1033dd9965 [0,0,0,1,0,0|2,0,1]=4 4532 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1COCCCF 6e3f3968b2cc86063af9186a14f48049 [0,0,0,1,0,0|2,0,1]=4 4533 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1COCCCS c01c7fce5843b23da4db20d91c294fef [0,0,0,1,0,0|2,0,1]=4 4534 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1NCCCCCl b37ec30697e0b77c8748073cc7929068 [0,0,0,1,0,0|2,0,1]=4 4535 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1NCCCCO 04d4470e8a4ee24c1665df4dc4263960 [0,0,0,1,0,0|2,0,1]=4 4536 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1NCCCCS 73a8b70f79e1051a90b850a876b4b662 [0,0,0,1,0,0|2,0,1]=4 4537 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1OCCCCF 64a4c9496bf58e6dd2d313c13da085c8 [0,0,0,1,0,0|2,0,1]=4 4538 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1OCCCCS da5980cd2fcd7fcda812c5863e762ae5 [0,0,0,1,0,0|2,0,1]=4 4539 B12R1.1755 O=C(O)[C@@H]1C[C@H]1CNC/C=C/Cl c67b94f6a1e1dc6e83d6c595646be678 [0,0,0,1,0,0|2,0,1]=4 4540 B12R1.1755 O=C(O)[C@@H]1C[C@H]1CNC/C=C\Cl fc6f1dc8198235e41f4508d30557bcbb [0,0,0,1,0,0|2,0,1]=4 4541 B12R1.1755 O=C(O)[C@@H]1C[C@H]1CNC/C=C\O f805575e3a0602be8ebb39580dd336e6 [0,0,0,1,0,0|2,0,1]=4 4542 B12R1.1755 O=C(O)[C@@H]1C[C@H]1CNCCCCl d14b6baa6a06833fd2715b5a9e283480 [0,0,0,1,0,0|2,0,1]=4 4543 B12R1.1755 O=C(O)[C@@H]1C[C@H]1CNCCCF 3de37d168bbc96c3acdfa18a09208113 [0,0,0,1,0,0|2,0,1]=4 4544 B12R1.1755 O=C(O)[C@@H]1C[C@H]1CNCCCO 891d7693caf3f5d67c8529b43acbd089 [0,0,0,1,0,0|2,0,1]=4 4545 B12R1.1755 O=C(O)[C@@H]1C[C@H]1CNCCCS 04222541b455f164f6c56027a9b0f443 [0,0,0,1,0,0|2,0,1]=4 4546 B12R1.1755 O=C(O)[C@@H]1C[C@H]1COC/C=C/Cl 6ab0f1295e59a5c9c9b29741193b540f [0,0,0,1,0,0|2,0,1]=4 4547 B12R1.1755 O=C(O)[C@@H]1C[C@H]1COC/C=C\Cl 713be3150e71ffcf8d0aa25e73289e7c [0,0,0,1,0,0|2,0,1]=4 4548 B12R1.1755 O=C(O)[C@@H]1C[C@H]1COCC=CCl 5bc1a283b7558a16d482bd82a1774c76 [0,0,0,1,0,0|2,0,1]=4 4549 B12R1.1755 O=C(O)[C@@H]1C[C@H]1COCCCF 2779992c845f673e08c50991d3d6b922 [0,0,0,1,0,0|2,0,1]=4 4550 B12R1.1755 O=C(O)[C@@H]1C[C@H]1COCCCS 53e245385493eaccf979dfcf18edc465 [0,0,0,1,0,0|2,0,1]=4 4551 B12R1.1755 O=C(O)[C@H]1C[C@@H]1COC/C=C/Cl 6dd7cc084dd572a6a92d0746a69d8df9 [0,0,0,1,0,0|2,0,1]=4 4552 B12R1.1755 O=C(O)[C@H]1C[C@@H]1COC/C=C\Cl 50405d46d009e721f8f55a882488ebbc [0,0,0,1,0,0|2,0,1]=4 4553 B12R1.1755 O=C(O)[C@H]1C[C@@H]1COCCCF ae859ce229c4a601a7b8d3065677ad59 [0,0,0,1,0,0|2,0,1]=4 4554 B12R1.1755 O=C(O)[C@H]1C[C@@H]1COCCCS f2eb795fb98d0ef6425ffaa7e9f4a96c [0,0,0,1,0,0|2,0,1]=4 4555 B12R1.1755 O=C(O)[C@H]1C[C@@H]1NCCCCCl 79637e755a99660fb3f73381bd25efc7 [0,0,0,1,0,0|2,0,1]=4 4556 B12R1.1755 O=C(O)[C@H]1C[C@@H]1NCCCCO 5669d1df690c3f584d4b5aa4b04c7627 [0,0,0,1,0,0|2,0,1]=4 4557 B12R1.1755 O=C(O)[C@H]1C[C@@H]1NCCCCS 90fba41661eb256f4b90b86dad8c2129 [0,0,0,1,0,0|2,0,1]=4 4558 B12R1.1755 O=C(O)[C@H]1C[C@@H]1OCCCCF 5fe317f37e72909bd066abaa1b6bde2f [0,0,0,1,0,0|2,0,1]=4 4559 B12R1.1755 O=C(O)[C@H]1C[C@@H]1OCCCCS 535f9cc95df0007ee0bce6294d9bacac [0,0,0,1,0,0|2,0,1]=4 4560 B12R1.1755 O=C(O)[C@H]1C[C@H]1NCCCCCl 4599adb3e0eb0defdc976d00af0b7db2 [0,0,0,1,0,0|2,0,1]=4 4561 B12R1.1755 O=C(O)[C@H]1C[C@H]1NCCCCO 45c339ac8ddbbd52e3c208a3ca70d9d3 [0,0,0,1,0,0|2,0,1]=4 4562 B12R1.1755 O=C(O)[C@H]1C[C@H]1NCCCCS 37baa51139bc15477e73dec08820c2bb [0,0,0,1,0,0|2,0,1]=4 4563 B12R1.1755 O=C(O)[C@H]1C[C@H]1OCCCCF a10d40a0772d2cad7b6d1a99442331b8 [0,0,0,1,0,0|2,0,1]=4 4564 B12R1.1755 O=C(O)[C@H]1C[C@H]1OCCCCS bbaff85c84bab3149bf0e991dd9efa32 [0,0,0,1,0,0|2,0,1]=4 4565 B12R1.1755 O=CCCCO[C@@H]1C[C@@H]1C(=O)O 396ffd56187941954f5cce8d8e9ec1a8 [0,0,0,1,0,0|2,0,0]=3 4566 B12R1.1755 O=CCCCO[C@H]1C[C@@H]1C(=O)O 67407d060f9427513bb2d8c63332d585 [0,0,0,1,0,0|2,0,0]=3 4567 B12R1.1755 O=CCCCO[C@H]1C[C@H]1C(=O)O 07b75d32f41f6c0ec87b72bd0aff6509 [0,0,0,1,0,0|2,0,0]=3 4568 B12R1.1755 O=CCCNC[C@@H]1C[C@H]1C(=O)O c177986fd9248672e217c51cfa1c0e67 [0,0,0,1,0,0|2,0,0]=3 4569 B12R1.1755 O=CCCOCC1CC1C(=O)O 7371c007915727c58d2a0bd1c73635cc [0,0,0,1,0,0|2,0,0]=3 4570 B12R1.1755 O=CCCOC[C@@H]1C[C@H]1C(=O)O 2dc00a6e44c45e9d4197a4d99d59a51d [0,0,0,1,0,0|2,0,0]=3 4571 B12R1.1755 O=CCCOC[C@H]1C[C@@H]1C(=O)O 12eca9632935bdace8c6de07adc4c3d7 [0,0,0,1,0,0|2,0,0]=3 4572 B12R1.1755 O=CCCOC[C@H]1C[C@H]1C(=O)O bf7ea1d301f77452f3ac068bb0305b18 [0,0,0,1,0,0|2,0,0]=3 4573 B12R1.1755 O=CNCCO[C@@H]1C[C@@H]1C(=O)O c9bf653d9581c6470ff94619ff5e3f90 [0,0,0,1,0,0|3,0,0]=4 4574 B12R1.1755 O=CNCCO[C@H]1C[C@@H]1C(=O)O 793c6b1a4e89b1603cd176bd968d03f1 [0,0,0,1,0,0|3,0,0]=4 4575 B12R1.1755 O=CNCCO[C@H]1C[C@H]1C(=O)O 20812e2adc4bd0df2f9c3510ef00a346 [0,0,0,1,0,0|3,0,0]=4 4576 B12R1.1755 O=COCCO[C@@H]1C[C@@H]1C(=O)O 875dddbd24195ffae024ad721ec238c1 [0,0,0,1,0,0|3,0,0]=4 4577 B12R1.1755 O=COCCO[C@H]1C[C@@H]1C(=O)O 7a8d308f954ba510f1a54848f58f8d9b [0,0,0,1,0,0|3,0,0]=4 4578 B12R1.1755 O=COCCO[C@H]1C[C@H]1C(=O)O 5f858762e53a39a36fb6c1eaad0eeed6 [0,0,0,1,0,0|3,0,0]=4 4579 B9R0.2 C=CCCCCNC(=O)C e363a045dea279ada86c2460a8f9bcff [2,0,0,0,0,0|2,0,0]=4 4580 B9R0.2 C=CCCCNCC(=O)C 6f9860b69421ae53f4aa8aab3f88206c [2,0,0,0,0,0|2,0,0]=4 4581 B9R0.2 C=CCCCNCC(=O)N 8c050bcb16397c545676f8ccaf3ff612 [2,0,0,0,0,0|2,0,0]=4 4582 B9R0.2 C=CCCCNCC(=O)O a6a74f703c15b040a944f1de5b7b31dd [2,0,0,0,0,0|1,0,0]=3 4583 B9R0.2 C=CCCCOCC(=O)C d117c37583b469359d4bb73ae405c58e [2,0,0,0,0,0|2,0,0]=4 4584 B9R0.2 C=CCCCOCC(=O)N a71db548756a9d786302c30982c036e5 [2,0,0,0,0,0|2,0,0]=4 4585 B9R0.2 C=CCCCOCC(=O)O 1c361a5699eb9366896dc4e13da269f8 [2,0,0,0,0,0|1,0,0]=3 4586 B9R0.2 C=CCCCOCS(=O)O c9d562aa38377771bc1c2a1e6304d1e4 [2,0,0,0,0,0|2,0,0]=4 4587 B9R0.2 C=CCCNCCC(=O)C 931becbc31ffa1a17243333f7bced09b [2,0,0,0,0,0|2,0,0]=4 4588 B9R0.2 C=CCCNCCC(=O)N 185ea1dfba44894df83c1b20bfe59e67 [2,0,0,0,0,0|2,0,0]=4 4589 B9R0.2 C=CCCNCCC(=O)O 6eb4f7dd1144c7fedf5fea8b2859a1ee [2,0,0,0,0,0|1,0,0]=3 4590 B9R0.2 C=CCCNCCS(=O)O d396b92b845845b863daeac25bb9a091 [2,0,0,0,0,0|2,0,0]=4 4591 B9R0.2 C=CCCOCCC(=O)C 132546dab84893072980505fc0c16835 [2,0,0,0,0,0|2,0,0]=4 4592 B9R0.2 C=CCCOCCC(=O)N aee188e7bbb14f2cdec6e6f3ddb9e064 [2,0,0,0,0,0|2,0,0]=4 4593 B9R0.2 C=CCCOCCC(=O)O 4d70a4bce8840eff55803b219a083b32 [2,0,0,0,0,0|1,0,0]=3 4594 B9R0.2 C=CCNCCCC(=O)N d7d54590933421a302fe06ba923c08bd [2,0,0,0,0,0|2,0,0]=4 4595 B9R0.2 C=CCNCCCC(=O)O 524c2ab7faae5f35e54c1740aff30774 [2,0,0,0,0,0|1,0,0]=3 4596 B9R0.2 C=CCOCCCC(=O)C 7c50ee2dd017285f672ea091a47723d2 [2,0,0,0,0,0|2,0,0]=4 4597 B9R0.2 C=CCOCCCC(=O)N c9f1b7b97de59f816cade2621052d370 [2,0,0,0,0,0|2,0,0]=4 4598 B9R0.2 C=COCCNCC(=O)O 8e73f67ff3897e4f73503772783dce81 [2,0,0,0,0,0|2,0,0]=4 4599 B9R0.2 C=COCCOCC(=O)O 811f84f15057d7b4da539ff618db8abc [2,0,0,0,0,0|2,0,0]=4 4600 B9R0.2 CCCCCCNC(=O)C 39216d9115deaeddca0efb3bbde5d8cb [2,0,0,0,0,0|2,0,0]=4 4601 B9R0.2 CCCCCNCC(=O)C 08234591298ac478e9a5e187e3c7cd4f [2,0,0,0,0,0|2,0,0]=4 4602 B9R0.2 CCCCCNCC(=O)N df1b9e1446c7d44676f292e2874ccd31 [2,0,0,0,0,0|2,0,0]=4 4603 B9R0.2 CCCCCNCC(=O)O 50016d51731d942cf0c89f16645029e7 [2,0,0,0,0,0|1,0,0]=3 4604 B9R0.2 CCCCCOCC(=O)C 499380b88b419c17c81350fa0478ac8c [2,0,0,0,0,0|2,0,0]=4 4605 B9R0.2 CCCCCOCC(=O)N ac3a2c078e0201ad0c0dae7872f135fb [2,0,0,0,0,0|2,0,0]=4 4606 B9R0.2 CCCCCOCC(=O)O 880094d6a378029586dbdb044c20be8e [2,0,0,0,0,0|1,0,0]=3 4607 B9R0.2 CCCCCOCS(=O)O b56ed3ff0a872daa7a558b28dc11bf7a [2,0,0,0,0,0|2,0,0]=4 4608 B9R0.2 CCCCNCCC(=O)C 23aeaf3a105e0d1d74c9a684b3a6ae92 [2,0,0,0,0,0|2,0,0]=4 4609 B9R0.2 CCCCNCCC(=O)N 2d98b6dd492f5bb47b303e933495165d [2,0,0,0,0,0|2,0,0]=4 4610 B9R0.2 CCCCNCCC(=O)O 2d9ff059f34708cc77b9165028ecaefa [2,0,0,0,0,0|1,0,0]=3 4611 B9R0.2 CCCCNCCS(=O)O d1550f302fc03798fde8c440dd73fdb7 [2,0,0,0,0,0|2,0,0]=4 4612 B9R0.2 CCCCOCCC(=O)C 6113a5294b2f420804d815edd80f0f40 [2,0,0,0,0,0|2,0,0]=4 4613 B9R0.2 CCCCOCCC(=O)N 5eb5a710abf4db2a2dded5d930468391 [2,0,0,0,0,0|2,0,0]=4 4614 B9R0.2 CCCCOCCC(=O)O f7b98599c570a58f82c0818a4675303f [2,0,0,0,0,0|1,0,0]=3 4615 B9R0.2 CCCNCCCC(=O)C 59b56db2c5ba6f2408c45d91cf5d07cf [2,0,0,0,0,0|2,0,0]=4 4616 B9R0.2 CCCNCCCC(=O)N ad3cbfcffc5634ad25d1d1d605d0c75d [2,0,0,0,0,0|2,0,0]=4 4617 B9R0.2 CCCNCCCC(=O)O 2c6599e2a5de3ceb0ce4fd582834477f [2,0,0,0,0,0|1,0,0]=3 4618 B9R0.2 CCCOCCCC(=O)C 3197867314079ee7d28a75ba48b024e1 [2,0,0,0,0,0|2,0,0]=4 4619 B9R0.2 CCCOCCCC(=O)N 070095bcac514fc69d894401c1bbf694 [2,0,0,0,0,0|2,0,0]=4 4620 B9R0.2 CCCOCCCC(=O)O 0bf29d754b3e882141bfdc8089deee25 [2,0,0,0,0,0|1,0,0]=3 4621 B9R0.2 CCNCCCCC(=O)N e58565c8abd8e5ef4e9f04f253e40e9c [2,0,0,0,0,0|2,0,0]=4 4622 B9R0.2 CCNCCCCC(=O)O c85642c501ae78ad2dab942f5836991c [2,0,0,0,0,0|1,0,0]=3 4623 B9R0.2 CCNCCOCC(=O)O c0319d2f7183e13649b4e14cf4dc44f0 [2,0,0,0,0,0|2,0,0]=4 4624 B9R0.2 CCNCCSCC(=O)O e5cfcab4344048d57fb6458a9d7ade29 [2,0,0,0,0,0|2,0,0]=4 4625 B9R0.2 CCOCCCCC(=O)C ecee09a6206772fa3d500ecaf82261c4 [2,0,0,0,0,0|2,0,0]=4 4626 B9R0.2 CCOCCCCC(=O)N 6c8808518c393835c53b3e5d4f87702a [2,0,0,0,0,0|2,0,0]=4 4627 B9R0.2 CCOCCCCC(=O)O dd3c266ef7ca2d55081985bcebc78969 [2,0,0,0,0,0|1,0,0]=3 4628 B9R0.2 CCOCCNCC(=O)O fe73b6ce227ade0e3d2aa05ce85c310f [2,0,0,0,0,0|2,0,0]=4 4629 B9R0.2 CCOCCOCC(=O)O 8e941570ee8b640c0974e53e117ac279 [2,0,0,0,0,0|2,0,0]=4 4630 B9R0.2 CCOCNCCC(=O)O bb666c5cb5cf95e40e356d52c764ed2e [2,0,0,0,0,0|2,0,0]=4 4631 B9R0.2 CCOCOCCC(=O)O 799c8960883074d9b3c3c270cb41a5e2 [2,0,0,0,0,0|2,0,0]=4 4632 B9R0.2 CCSCCNCC(=O)O d9a8c386d66ab795d4b3734359c61f59 [2,0,0,0,0,0|2,0,0]=4 4633 B9R0.2 CCSCCOCC(=O)O 7dcca9bd15b343f0086a7f56a35270d1 [2,0,0,0,0,0|2,0,0]=4 4634 B9R0.2 COCCCNCC(=O)O bb99ed747e50bacf9b72c7121db02d06 [2,0,0,0,0,0|2,0,0]=4 4635 B9R0.2 COCCCOCC(=O)O ec52a61a98845b6bf28deaf0b8243269 [2,0,0,0,0,0|2,0,0]=4 4636 B9R0.2 COCCNCCC(=O)O 30d6a6eb8d13e89f1e6baa6cbd54590b [2,0,0,0,0,0|2,0,0]=4 4637 B9R0.2 COCCOCCC(=O)O 25825b2e7473038d51278d15c2f9a50b [2,0,0,0,0,0|2,0,0]=4 4638 B9R0.2 COCNCCCC(=O)O 64bd770f694cab9d693114f7ad1b17c7 [2,0,0,0,0,0|2,0,0]=4 4639 B9R0.2 CSCCCNCC(=O)O 1ee764be5870ee9d6a465670ba4c3b41 [2,0,0,0,0,0|2,0,0]=4 4640 B9R0.2 CSCCCOCC(=O)O eaeded9547b84d8ef5e124eca9ee4fd2 [2,0,0,0,0,0|2,0,0]=4 4641 B9R0.2 CSCCNCCC(=O)O 808165acc4fc0c35acf13aa79babe8b9 [2,0,0,0,0,0|2,0,0]=4 4642 B9R0.2 CSCCOCCC(=O)O bd1672f73e380f6fe93fe8a89c7b9218 [2,0,0,0,0,0|2,0,0]=4 4643 B9R0.2 CSCNCCCC(=O)O 7eae2fdc26b7518d89f6059c70e462f4 [2,0,0,0,0,0|2,0,0]=4 4644 B9R0.2 O=C(O)CCCCNCF f1da66cc537567fc1409c1b8a001e59a [2,0,0,0,0,0|2,0,0]=4 4645 B9R0.2 O=C(O)CCCCNCO a429407eaab02fb376aa947f0797c09f [2,0,0,0,0,0|2,0,0]=4 4646 B9R0.2 O=C(O)CCCCOCF 272aa66e75d0e45407420628e364d2e7 [2,0,0,0,0,0|2,0,0]=4 4647 B9R0.2 O=C(O)CCCNCCF 0ab78b72bdcdd94b4fcf99e3ac56449a [2,0,0,0,0,0|2,0,0]=4 4648 B9R0.2 O=C(O)CCCNCCI 7033442a1b0a8ae6af132618bc1c6df8 [2,0,0,0,0,0|2,0,0]=4 4649 B9R0.2 O=C(O)CCCNCCO aaad7be98a5cc430b61cd9b864cc9997 [2,0,0,0,0,0|2,0,0]=4 4650 B9R0.2 O=C(O)CCCNCCS ec86078ea056d643545478c3e7a92429 [2,0,0,0,0,0|2,0,0]=4 4651 B9R0.2 O=C(O)CCCOCCS d487913876e55d03c8afd0183250981c [2,0,0,0,0,0|2,0,0]=4 4652 B9R0.2 O=C(O)CCNCCCCl 1f163366118bc570454513ac2f5e8fbb [2,0,0,0,0,0|2,0,0]=4 4653 B9R0.2 O=C(O)CCNCCCF a17270c122f9805cda800592e5e91910 [2,0,0,0,0,0|2,0,0]=4 4654 B9R0.2 O=C(O)CCNCCCO 11321b019c242b6c5e41fa5801169200 [2,0,0,0,0,0|2,0,0]=4 4655 B9R0.2 O=C(O)CCNCCCS 9bd4ee04c37720e288052c22d2384dc9 [2,0,0,0,0,0|2,0,0]=4 4656 B9R0.2 O=C(O)CCOCCCF 20d201b31423e454de60bb0a61187076 [2,0,0,0,0,0|2,0,0]=4 4657 B9R0.2 O=C(O)CCOCCCS 63a015d01ea8847197749ff6208e8461 [2,0,0,0,0,0|2,0,0]=4 4658 B9R0.2 O=C(O)CNCCCCCl 738ccc3cf8a76961c1007f23612565a7 [2,0,0,0,0,0|2,0,0]=4 4659 B9R0.2 O=C(O)CNCCCCF 87df936d60601b25837503e691186b45 [2,0,0,0,0,0|2,0,0]=4 4660 B9R0.2 O=C(O)CNCCCCO 8e5b81d8439207e41841bfd4f00422f6 [2,0,0,0,0,0|2,0,0]=4 4661 B9R0.2 O=C(O)CNCCCCS 453564c18d03243292ce248980af0648 [2,0,0,0,0,0|2,0,0]=4 4662 B9R0.2 O=C(O)COCCCCF 12acb17f17ee14046729a98f278631b2 [2,0,0,0,0,0|2,0,0]=4 4663 B9R0.2 O=C(O)COCCCCS fb95717e8a0986d68c391e1936081030 [2,0,0,0,0,0|2,0,0]=4 4664 B9R0.2 O=CCCCNCC(=O)O 00744a469b104f3f873a6267c7e8ee73 [2,0,0,0,0,0|2,0,0]=4 4665 B9R0.2 O=CCCCOCC(=O)O b0cdc41918441c731c2718b00d81dcd2 [2,0,0,0,0,0|2,0,0]=4 4666 B9R0.2 O=CCCNCCC(=O)O 65f36927815c9ad4e958ab911ae7459a [2,0,0,0,0,0|2,0,0]=4 4667 B9R0.2 O=CCCOCCC(=O)O c361370d412c815155a03ec5c084d013 [2,0,0,0,0,0|2,0,0]=4 4668 B9R0.2 O=CCNCCCC(=O)O b0fd6156dd240d44b8433e7a48df34bb [2,0,0,0,0,0|2,0,0]=4 4669 B9R0.45 C=CCCCCCNC=O 37acb8face8da4e33847766c3e966de6 [2,0,0,0,0,0|1,0,0]=3 4670 B9R0.45 C=CCCCCCNCC 890f1c6c1d85667d7cffa859ba2c1d3e [2,0,0,0,0,0|1,0,1]=4 4671 B9R0.45 C=CCCCCCNCF 5758c179fab104be34b09f047afc1fd5 [2,0,0,0,0,0|2,0,0]=4 4672 B9R0.45 C=CCCCCCNCO 4058549cb0627342cdb023e8e5d092ea [2,0,0,0,0,0|1,0,0]=3 4673 B9R0.45 C=CCCCCCOCC 23f590b48ebd5146440db0699ec4bb83 [2,0,0,0,0,0|1,0,1]=4 4674 B9R0.45 C=CCCCCCOCF b04f839cfe9fd44ba94f605d82c4d0ae [2,0,0,0,0,0|2,0,0]=4 4675 B9R0.45 C=CCCCCNCC=C 8ac5ddba0a702b080640fb7723c96adf [2,0,0,0,0,0|1,0,1]=4 4676 B9R0.45 C=CCCCCNCC=O f0ee6c8a8d5e62e34bed7266da448702 [2,0,0,0,0,0|1,0,0]=3 4677 B9R0.45 C=CCCCCNCCBr 07640e6f216624020c084c51b2b6c0e3 [2,0,0,0,0,0|2,0,0]=4 4678 B9R0.45 C=CCCCCNCCC 1c3124d4bfead54322e8b6cd10acbe7e [2,0,0,0,0,0|1,0,1]=4 4679 B9R0.45 C=CCCCCNCCF bb135346f8d1f2fd9649100cc9cfdedb [2,0,0,0,0,0|2,0,0]=4 4680 B9R0.45 C=CCCCCNCCI 0a6513107528ba2abea852f44f3eb8ef [2,0,0,0,0,0|2,0,0]=4 4681 B9R0.45 C=CCCCCNCCO e90dd5dffbcd01a756bbd1f730cda699 [2,0,0,0,0,0|1,0,0]=3 4682 B9R0.45 C=CCCCCNCCS 981cc28718f0e82344c822015e52ce6e [2,0,0,0,0,0|1,1,0]=4 4683 B9R0.45 C=CCCCCOCC=C f6554188cdda1eefbb9a452a96a54e31 [2,0,0,0,0,0|1,0,1]=4 4684 B9R0.45 C=CCCCCOCC=O 4cdebe78f89dc273e9c86e4da9bd53c6 [2,0,0,0,0,0|1,0,0]=3 4685 B9R0.45 C=CCCCCOCCC f624e5cfeefd7c8f70f95b431a05113e [2,0,0,0,0,0|1,0,1]=4 4686 B9R0.45 C=CCCCCOCCF e5688e416989ce0b8e2de252ce333c03 [2,0,0,0,0,0|2,0,0]=4 4687 B9R0.45 C=CCCCCOCCS 10dfd3c079a28d4d3066722414bfb2da [2,0,0,0,0,0|1,1,0]=4 4688 B9R0.45 C=CCCCNC/C=C\O 4a617864c7aaefd605502f4dc07725d2 [2,0,0,0,0,0|1,0,1]=4 4689 B9R0.45 C=CCCCNCCC=C c42b4450581d48e6b8cf2987820be704 [2,0,0,0,0,0|1,0,1]=4 4690 B9R0.45 C=CCCCNCCC=O b5f2a59fd8e719a8a9da68d8ba7268fd [2,0,0,0,0,0|1,0,0]=3 4691 B9R0.45 C=CCCCNCCCC fa1d0b4e193451fb553c9cd2afd75cca [2,0,0,0,0,0|1,0,1]=4 4692 B9R0.45 C=CCCCNCCCCl c0c501ba24935f3fdc55a6800c85d9f5 [2,0,0,0,0,0|2,0,0]=4 4693 B9R0.45 C=CCCCNCCCF 4fbf6888b4902e4977d561796e7f3c35 [2,0,0,0,0,0|2,0,0]=4 4694 B9R0.45 C=CCCCNCCCO 49ff67fd32a7e48d035cc39e8c6c93f5 [2,0,0,0,0,0|1,0,0]=3 4695 B9R0.45 C=CCCCNCCCS e91fc8975e9281b0c28f44d8e3139816 [2,0,0,0,0,0|1,1,0]=4 4696 B9R0.45 C=CCCCOCCC=C 295e6ddf540018db3a0c5b09f6fc6942 [2,0,0,0,0,0|1,0,1]=4 4697 B9R0.45 C=CCCCOCCC=O c8bdd6d9eb4b2f37ce346479c10f311b [2,0,0,0,0,0|1,0,0]=3 4698 B9R0.45 C=CCCCOCCCC e8806365586991cd800b2ef6da7fc881 [2,0,0,0,0,0|1,0,1]=4 4699 B9R0.45 C=CCCCOCCCF 2e6d7089b14dd641e54a76ae7dadaa14 [2,0,0,0,0,0|2,0,0]=4 4700 B9R0.45 C=CCCCOCCCS 00ab52b736b42ecb74aa8e1b43a7e9be [2,0,0,0,0,0|1,1,0]=4 4701 B9R0.45 C=CCCNCCCC=O b39d2f6f1f09b8a0598e7314d1e74905 [2,0,0,0,0,0|1,0,0]=3 4702 B9R0.45 C=CCCNCCCCC a855019ae48c9b8cf6923444d001ccd3 [2,0,0,0,0,0|1,0,1]=4 4703 B9R0.45 C=CCCNCCCCCl a117ce913481632f0688d24994247e2a [2,0,0,0,0,0|2,0,0]=4 4704 B9R0.45 C=CCCNCCCCF efc5a9a56f0e77778e0d77be991290d0 [2,0,0,0,0,0|2,0,0]=4 4705 B9R0.45 C=CCCNCCCCO 483ccf905bb3e32f0679d7de05961fd6 [2,0,0,0,0,0|1,0,0]=3 4706 B9R0.45 C=CCCNCCCCS eb80eda9fad56453c79d6797c2b54750 [2,0,0,0,0,0|1,1,0]=4 4707 B9R0.45 C=CCCOCCCC=O 7836d275180373c5f8265311bdcc7219 [2,0,0,0,0,0|1,0,0]=3 4708 B9R0.45 C=CCCOCCCCC 6e7cf8472e35f7c7bd7858bc8c7bfd04 [2,0,0,0,0,0|1,0,1]=4 4709 B9R0.45 C=CCCOCCCCF d4ec7484466a64c13890e327fd29e039 [2,0,0,0,0,0|2,0,0]=4 4710 B9R0.45 C=CCCOCCCCS 46572775d6dca25538d12c4917173d07 [2,0,0,0,0,0|1,1,0]=4 4711 B9R0.45 C=CCCOCCNC=O fcf0b9e1b7f9441ddd6414ff3f5d365f [2,0,0,0,0,0|2,0,0]=4 4712 B9R0.45 C=CCCOCCOC=O 669d6dddab0aec33a8de73c11c6d8591 [2,0,0,0,0,0|2,0,0]=4 4713 B9R0.45 C=CCNCCCCCC 6384eba9acd253c5ddf82f9491922adb [2,0,0,0,0,0|1,0,1]=4 4714 B9R0.45 C=CCNCCCCCCl 39b003764fbe36df5eaf2287055cfd68 [2,0,0,0,0,0|2,0,0]=4 4715 B9R0.45 C=CCNCCCCCO b81fe78c797f2a70aa21f5595d13d0f6 [2,0,0,0,0,0|1,0,0]=3 4716 B9R0.45 C=CCNCCOCCO bc56290d34b38e37fb1d7738d9ad2f64 [2,0,0,0,0,0|2,0,0]=4 4717 B9R0.45 C=CCNCCSCCO ebc87df9fab511d2adbcb824964ed78b [2,0,0,0,0,0|2,0,0]=4 4718 B9R0.45 C=CCOCCCCC=O 37f121bf5671a3553e184a5b90c564ae [2,0,0,0,0,0|1,0,0]=3 4719 B9R0.45 C=CCOCCCCCC 87e2c78ad35addafbe1ba3af3a2416ee [2,0,0,0,0,0|1,0,1]=4 4720 B9R0.45 C=CCOCCNCCO 637d5384b367c2111cf0eccdf31f0731 [2,0,0,0,0,0|2,0,0]=4 4721 B9R0.45 C=CCOCCOCC=O e4b73568850416f4ea1023ab94f464f0 [2,0,0,0,0,0|2,0,0]=4 4722 B9R0.45 C=COCCCNCC=O d1b8cec6c4446a37f94418572c0f2b2e [2,0,0,0,0,0|2,0,0]=4 4723 B9R0.45 C=COCCCNCCO 06c96074c4860e09f343f58912e6352b [2,0,0,0,0,0|2,0,0]=4 4724 B9R0.45 C=COCCNCCC=O 153c0a3143369e95ecaf8adab41d9798 [2,0,0,0,0,0|2,0,0]=4 4725 B9R0.45 C=COCCNCCCO d27f80adf1430ea08deaa2cefb519d7b [2,0,0,0,0,0|2,0,0]=4 4726 B9R0.45 C=COCCOCCC=O 934f6180f8ff75aa610fcf5b6c5cfee7 [2,0,0,0,0,0|2,0,0]=4 4727 B9R0.45 CCCCCCCNC=O 9b073fb330d599f3dde0b2db41b840f2 [2,0,0,0,0,0|1,0,1]=4 4728 B9R0.45 CCCCCCNCC=O 7bf21a30ec03a5d95442fb7cb6f190b9 [2,0,0,0,0,0|1,0,1]=4 4729 B9R0.45 CCCCCCOCC=O bd855bb441849ecb00a1d491cea228b2 [2,0,0,0,0,0|1,0,1]=4 4730 B9R0.45 CCCCCNCCC=O eb975a62ee073d19d198cbf0dd0dbc33 [2,0,0,0,0,0|1,0,1]=4 4731 B9R0.45 CCCCCOCCC=O ed64f81c6eb909127bbb96fe2d29088b [2,0,0,0,0,0|1,0,1]=4 4732 B9R0.45 CCCCNCCCC=O be1900420fface744e26218846840016 [2,0,0,0,0,0|1,0,1]=4 4733 B9R0.45 CCCCOCCCC=O e3a2ccc9f19eff655a1e3387aa118b3a [2,0,0,0,0,0|1,0,1]=4 4734 B9R0.45 CCCNCCCCC=O f2022f14c7209eed0862d6ecf6b84706 [2,0,0,0,0,0|1,0,1]=4 4735 B9R0.45 CCCOCCCCC=O 8b78d2c4a466c2768be601b9198fb016 [2,0,0,0,0,0|1,0,1]=4 4736 B9R0.45 O=CCCCCNCCBr 5abec0ed0917442c8c232cdb425a9841 [2,0,0,0,0,0|2,0,0]=4 4737 B9R0.45 O=CCCCCNCCF eb9f24cce8e482daf38d14d9d549bbb1 [2,0,0,0,0,0|2,0,0]=4 4738 B9R0.45 O=CCCCCNCCI 70b4665906e4318f4c49372e2844c374 [2,0,0,0,0,0|2,0,0]=4 4739 B9R0.45 O=CCCCCNCCO 85ae23fbf5ae9276f3b511278a68fed1 [2,0,0,0,0,0|2,0,0]=4 4740 B9R0.45 O=CCCCCNCCS deffd1d2c176beb2f0f71b26a9711ee2 [2,0,0,0,0,0|2,0,0]=4 4741 B9R0.45 O=CCCCCOCC=O 7ef8386ecbb49019770effbfa4132a27 [2,0,0,0,0,0|2,0,0]=4 4742 B9R0.45 O=CCCCCOCCF 9b2c7b33aa8c8f306ca8eb570fcf7b58 [2,0,0,0,0,0|2,0,0]=4 4743 B9R0.45 O=CCCCCOCCS bc4f0fef628b9966ab9f3b44089a7d10 [2,0,0,0,0,0|2,0,0]=4 4744 B9R0.45 O=CCCCNCCCCl 3dae4dda634271ae27163fd45f5d3163 [2,0,0,0,0,0|2,0,0]=4 4745 B9R0.45 O=CCCCNCCCO 58ef7b77b7be690608fd65ce9c6abe71 [2,0,0,0,0,0|2,0,0]=4 4746 B9R0.45 O=CCCCOCCC=O de1a62baa6fb31c701c46d9e029ef69d [2,0,0,0,0,0|2,0,0]=4 4747 B9R0.45 O=CCCCOCCCF e1070872c292eb7b879ef21318c9c15c [2,0,0,0,0,0|2,0,0]=4 4748 B9R0.45 O=CCCCOCCCS 138cbbec11bd45b1a4d85bf9b5287b7a [2,0,0,0,0,0|2,0,0]=4 4749 B9R0.45 O=CCCNCCCCCl f851f5adb29aefdb303aca6a0afddb51 [2,0,0,0,0,0|2,0,0]=4 4750 B9R0.45 O=CCCNCCCCO e756673586d39ac10639a8b5db39bc11 [2,0,0,0,0,0|2,0,0]=4 4751 B9R0.45 O=CCCNCCCCS a16cbec588d57d2616e56c10fc4cf764 [2,0,0,0,0,0|2,0,0]=4 4752 B9R0.45 O=CCCOCCCCF b28a94840b1fc0f0b86ff0a09810e8f8 [2,0,0,0,0,0|2,0,0]=4 4753 B9R0.45 O=CCCOCCCCS 1e02f2461dcb63ee34b6c10ad7ae6e80 [2,0,0,0,0,0|2,0,0]=4 4754 B9R0.45 O=CCNCCCCCCl a090314f6f7fb6541d79b47c4505cb08 [2,0,0,0,0,0|2,0,0]=4 4755 B9R0.45 O=CCNCCCCCO e20d30c887448f62cb966ff66604b03d [2,0,0,0,0,0|2,0,0]=4 4756 B9R0.45 O=CNCCCCCCCl a8d8b40eb8e24dc175f39e3613e37fe1 [2,0,0,0,0,0|2,0,0]=4 4757 B9R0.45 O=CNCCCCCCO da506faeac8e24bf810b2dadaf20a2f0 [2,0,0,0,0,0|2,0,0]=4 4758 B11R0.2 C=CCCCCN(C)CC(=O)N dca956a59c79897c2924f808579c8354 [1,1,0,0,0,0|2,0,0]=4 4759 B11R0.2 C=CCCCCN(C)CC(=O)O 18367dceb2b3a20182a1300d45c94504 [1,1,0,0,0,0|1,0,0]=3 4760 B11R0.2 C=CCCCNC(C)CC(=O)O e88385591f109e5ccb6cd9db4f674a16 [1,1,0,0,0,0|1,0,0]=3 4761 B11R0.2 C=CCCCN[C@@H](C)CC(=O)O 6624fe1d528d72bf55f18e827fe5de4c [1,1,0,0,0,0|1,0,0]=3 4762 B11R0.2 C=CCCCN[C@H](C)CC(=O)O f81a8d09bbdd109c7b34008d5a7188eb [1,1,0,0,0,0|1,0,0]=3 4763 B11R0.2 C=CCCCOC(C)CC(=O)N 7130af155eea3e40cb1b402ec69398b9 [1,1,0,0,0,0|2,0,0]=4 4764 B11R0.2 C=CCCCOC(C)CC(=O)O 7db8181421a3540b64e316ca5fa6d925 [1,1,0,0,0,0|1,0,0]=3 4765 B11R0.2 C=CCCCO[C@@H](C)CC(=O)O 9a38c7dbbb0d537b283f2cef8c07b852 [1,1,0,0,0,0|1,0,0]=3 4766 B11R0.2 C=CCCCO[C@H](C)CC(=O)O 8f91f1a49776bd2e354d270e3e1aea8b [1,1,0,0,0,0|1,0,0]=3 4767 B11R0.2 C=CCCNCC(=O)CC(=O)O 95924d53ea53be34460099e229aad240 [1,1,0,0,0,0|1,0,1]=4 4768 B11R0.2 C=CCCNCC(O)CC(=O)O 7a09c74223ee371fd41a82e413a1814c [1,1,0,0,0,0|1,0,0]=3 4769 B11R0.2 C=CCCNC[C@@H](O)CC(=O)O c4eb6b76e60982c2f61532eaa9683327 [1,1,0,0,0,0|1,0,0]=3 4770 B11R0.2 C=CCCNC[C@H](O)CC(=O)O 462e57b866cc82513846c0535ffc78fe [1,1,0,0,0,0|1,0,0]=3 4771 B11R0.2 C=CCCOCC(=O)CC(=O)O d2da94661ed29cbf13a1e34e690a3d1e [1,1,0,0,0,0|1,0,1]=4 4772 B11R0.2 C=CCOCCN(C)CC(=O)O 93da7ba73c5ddd14dd0cc4c63660722a [1,1,0,0,0,0|2,0,0]=4 4773 B11R0.2 C=COCCNC(C)CC(=O)O 15bfe89550f956ccb06896d2485887c0 [1,1,0,0,0,0|2,0,0]=4 4774 B11R0.2 CC(CC(=O)O)NCCCC=O ee9d93472910ac671c0fa69eebff9ed1 [1,1,0,0,0,0|2,0,0]=4 4775 B11R0.2 CC(CC(=O)O)NCCCCCl b331d0c86b049005bf08062a71d294c4 [1,1,0,0,0,0|2,0,0]=4 4776 B11R0.2 CC(CC(=O)O)NCCCCF 0ab1ef0cfae5c2805fd9d4711c296ea0 [1,1,0,0,0,0|2,0,0]=4 4777 B11R0.2 CC(CC(=O)O)NCCCCO 6e13e79fbb4ef5e1dab6d3cf15f5e138 [1,1,0,0,0,0|2,0,0]=4 4778 B11R0.2 CC(CC(=O)O)NCCCCS b1ff01afe8b912f8bf615c463090cd2d [1,1,0,0,0,0|2,0,0]=4 4779 B11R0.2 CC(CC(=O)O)OCCCC=O e2a469c73cc3552276e1d79d041d532c [1,1,0,0,0,0|2,0,0]=4 4780 B11R0.2 CC(CC(=O)O)OCCCCF 83ec30abf4260741aee18f3da935bde5 [1,1,0,0,0,0|2,0,0]=4 4781 B11R0.2 CC(CCNCCBr)CC(=O)O bba1e8138b07ce55051d0aabea777ad3 [1,1,0,0,0,0|2,0,0]=4 4782 B11R0.2 CC(CCNCCF)CC(=O)O 981d7b96788088140e88d6f568d7e70a [1,1,0,0,0,0|2,0,0]=4 4783 B11R0.2 CC(CCNCCI)CC(=O)O 1fb2dd48d2ae1d6e4aaa846221efafd4 [1,1,0,0,0,0|2,0,0]=4 4784 B11R0.2 CC(CCNCCO)CC(=O)O ef40bd0cccd720b29e6419d585cbd8c9 [1,1,0,0,0,0|2,0,0]=4 4785 B11R0.2 CC(CCNCCS)CC(=O)O 763121a5e4adb3523211fa7efd1ad56f [1,1,0,0,0,0|2,0,0]=4 4786 B11R0.2 CC(CCOCCF)CC(=O)O 8b0e6d33ad5baeaace35366d9ba4a1ef [1,1,0,0,0,0|2,0,0]=4 4787 B11R0.2 CC(CCOCCS)CC(=O)O bdb288c9ac72be4a538660ab84972031 [1,1,0,0,0,0|2,0,0]=4 4788 B11R0.2 CCCCCCN(C)CC(=O)O fffbd83ababffa159958606d9a112cce [1,1,0,0,0,0|1,0,1]=4 4789 B11R0.2 CCCCCNC(C)CC(=O)O 35ff80d8a8ecd4079ace6eaf7231bc4a [1,1,0,0,0,0|1,0,1]=4 4790 B11R0.2 CCCCCN[C@@H](C)CC(=O)O c45c1d80dfd9c8037699654c10768e13 [1,1,0,0,0,0|1,0,1]=4 4791 B11R0.2 CCCCCN[C@H](C)CC(=O)O de2ba2e7faa23b2ad6983512ff9a06fc [1,1,0,0,0,0|1,0,1]=4 4792 B11R0.2 CCCCCOC(C)CC(=O)O c4f6d91d5cba7a6eb60e8eedc267d663 [1,1,0,0,0,0|1,0,1]=4 4793 B11R0.2 CCCCCO[C@@H](C)CC(=O)O 760c1d1cf7508749ba57f8e374efa729 [1,1,0,0,0,0|1,0,1]=4 4794 B11R0.2 CCCCCO[C@H](C)CC(=O)O 8b6a404610ba4ea008d74ddda615d1d3 [1,1,0,0,0,0|1,0,1]=4 4795 B11R0.2 CCCCNCC(O)CC(=O)O 5cd44d1731f9375b8f32ca873f44f433 [1,1,0,0,0,0|1,0,1]=4 4796 B11R0.2 CCCCNC[C@@H](O)CC(=O)O 26599441bd630ac3e4d20d4b6672416d [1,1,0,0,0,0|1,0,1]=4 4797 B11R0.2 CCCCNC[C@H](O)CC(=O)O a6b23ab90314f2eda54f59837c52415c [1,1,0,0,0,0|1,0,1]=4 4798 B11R0.2 CCCNCCC(C)CC(=O)O 3df807e8d4a6f4424410fa08035527d6 [1,1,0,0,0,0|1,0,1]=4 4799 B11R0.2 CCCOCCC(C)CC(=O)O 9bbb78eef3e48b584e04ea8fe4ce94ed [1,1,0,0,0,0|1,0,1]=4 4800 B11R0.2 CN(CCCCC=O)CC(=O)O 621b35401dcb3806a6b053759672c2b2 [1,1,0,0,0,0|2,0,0]=4 4801 B11R0.2 CN(CCCCCF)CC(=O)O 12639e047e14b8526dd0c46ed16ca6a0 [1,1,0,0,0,0|2,0,0]=4 4802 B11R0.2 CN(CCCCCO)CC(=O)O 83b7e21eeb46918d762b90e77be80bca [1,1,0,0,0,0|2,0,0]=4 4803 B11R0.2 C[C@@H](CC(=O)O)NCCCC=O 44d356bb3bb9e73104c56d50188f6d48 [1,1,0,0,0,0|2,0,0]=4 4804 B11R0.2 C[C@@H](CC(=O)O)NCCCCF f221a374204d6d070cc508a569cb6fdc [1,1,0,0,0,0|2,0,0]=4 4805 B11R0.2 C[C@@H](CC(=O)O)NCCCCO 704779c61403675510f67ed57c0e6f28 [1,1,0,0,0,0|2,0,0]=4 4806 B11R0.2 C[C@@H](CC(=O)O)OCCCC=O 74289a04be60128d4ff653694df330fa [1,1,0,0,0,0|2,0,0]=4 4807 B11R0.2 C[C@@H](CC(=O)O)OCCCCF e7e443470709eda4bdf8c6e4d188719b [1,1,0,0,0,0|2,0,0]=4 4808 B11R0.2 C[C@H](CC(=O)O)NCCCC=O 7c8bebb1978e2281eb8de61b8774f4cd [1,1,0,0,0,0|2,0,0]=4 4809 B11R0.2 C[C@H](CC(=O)O)NCCCCF 64cd394c1ecb451ee05250a0826800a4 [1,1,0,0,0,0|2,0,0]=4 4810 B11R0.2 C[C@H](CC(=O)O)NCCCCO 9493a0e444e889bab899afcf7d491c35 [1,1,0,0,0,0|2,0,0]=4 4811 B11R0.2 C[C@H](CC(=O)O)OCCCC=O 91f651deb7ed2c77ab6487807ae9a9cb [1,1,0,0,0,0|2,0,0]=4 4812 B11R0.2 C[C@H](CC(=O)O)OCCCCF 97c0633bc8ada75a21b39ea490d61d95 [1,1,0,0,0,0|2,0,0]=4 4813 B11R0.2 O=C(O)CC(O)CNCCCF b597f9da5bfa5502b4b824595ef9dadc [1,1,0,0,0,0|2,0,0]=4 4814 B11R0.2 O=C(O)CC(O)CNCCCO e8421a993a6e4ebc00c059e03d8b5589 [1,1,0,0,0,0|2,0,0]=4 4815 B11R0.2 O=C(O)CC(O)CNCCCS fea648af86df17193bb32e89e7cfa1c9 [1,1,0,0,0,0|2,0,0]=4 4816 B11R0.2 O=C(O)C[C@@H](O)CNCCCF 4192980fb55d1138c4144bb3a565c35f [1,1,0,0,0,0|2,0,0]=4 4817 B11R0.2 O=C(O)C[C@@H](O)CNCCCO 8fbb8fade9c7cc3a07ee7bc8b12b519d [1,1,0,0,0,0|2,0,0]=4 4818 B11R0.2 O=C(O)C[C@@H](O)CNCCCS 4c4801d0aad5ae9804124921d86ad8ff [1,1,0,0,0,0|2,0,0]=4 4819 B11R0.2 O=C(O)C[C@H](O)CNCCCF 4494c06e74da87814ee9518fabf1782a [1,1,0,0,0,0|2,0,0]=4 4820 B11R0.2 O=C(O)C[C@H](O)CNCCCO 663e42a4437f78547401fb74b1c19cf7 [1,1,0,0,0,0|2,0,0]=4 4821 B11R0.2 O=C(O)C[C@H](O)CNCCCS 1d742f00a2dc0009c7b61bf82ba5f91c [1,1,0,0,0,0|2,0,0]=4 4822 B11R0.2 O=CCCNCC(O)CC(=O)O a5d82134291a398853fd122771701d9e [1,1,0,0,0,0|2,0,0]=4 4823 B11R0.2 O=CCCNC[C@@H](O)CC(=O)O e6716139b4859e624df68e1953929f39 [1,1,0,0,0,0|2,0,0]=4 4824 B11R0.2 O=CCCNC[C@H](O)CC(=O)O 93f45fd92535606d713593f9e2e28db9 [1,1,0,0,0,0|2,0,0]=4 4825 B11R0.30 C=C(Br)CCOCCCC(=O)C c97e283615d58e85e661322155783ddf [1,1,0,0,0,0|2,0,0]=4 4826 B11R0.30 C=C(Br)CCOCCCC(=O)N 980cf2e64f65923e13483d838610b162 [1,1,0,0,0,0|2,0,0]=4 4827 B11R0.30 C=C(Br)CNCCCCC(=O)C 6340793052b4a14b319c5d72039c8ef1 [1,1,0,0,0,0|2,0,0]=4 4828 B11R0.30 C=C(Br)CNCCCCC(=O)N 7b24fe3ea748dfc0c0dec8969d999eaa [1,1,0,0,0,0|2,0,0]=4 4829 B11R0.30 C=C(Br)CNCCCCC(=O)O aae50b2a43bb2d7a0e909f50b44ac595 [1,1,0,0,0,0|1,0,0]=3 4830 B11R0.30 C=C(Br)CNCCOCC(=O)O 46399bce4bd180b7e9fc51f7815188b7 [1,1,0,0,0,0|2,0,0]=4 4831 B11R0.30 C=C(Br)CNCCSCC(=O)O d38ad59574cfdd82aa19b19a738b8096 [1,1,0,0,0,0|2,0,0]=4 4832 B11R0.30 C=C(Br)COCCCCC(=O)C af714107e0d3c34b3a0d5b6a7c40d811 [1,1,0,0,0,0|2,0,0]=4 4833 B11R0.30 C=C(Br)COCCCCC(=O)N 8f59855019fe006e20b786726dd085e3 [1,1,0,0,0,0|2,0,0]=4 4834 B11R0.30 C=C(Br)COCCCCC(=O)O 841b4538034b27166db4c5ad24813017 [1,1,0,0,0,0|1,0,0]=3 4835 B11R0.30 C=C(Br)COCCOCC(=O)O 0aea137df943713ba8615cf5902af81e [1,1,0,0,0,0|2,0,0]=4 4836 B11R0.30 C=C(C)CCCNCCC(=O)N 5676d953f781f0ff8f816995da33d0e7 [1,1,0,0,0,0|2,0,0]=4 4837 B11R0.30 C=C(C)CCCNCCC(=O)O 544896bfdf9464fa0a936c441c95e572 [1,1,0,0,0,0|1,0,0]=3 4838 B11R0.30 C=C(C)CCCNCCS(=O)O 19078f1413e3575e3d902902c7f4717a [1,1,0,0,0,0|2,0,0]=4 4839 B11R0.30 C=C(C)CCCOCCC(=O)C 0abda35b2e3f9d496c584b42d6ea7718 [1,1,0,0,0,0|2,0,0]=4 4840 B11R0.30 C=C(C)CCCOCCC(=O)N fce9df11dcdbc608edbcb5d5ba5d0bf6 [1,1,0,0,0,0|2,0,0]=4 4841 B11R0.30 C=C(C)CCCOCCC(=O)O d1d9a510249864686b07c2c599d33cf7 [1,1,0,0,0,0|1,0,0]=3 4842 B11R0.30 C=C(C)CCNCCCC(=O)C 1cb95118c601357a36caebe7d2643e27 [1,1,0,0,0,0|2,0,0]=4 4843 B11R0.30 C=C(C)CCNCCCC(=O)N 14490118326f11d592276b3be60176b3 [1,1,0,0,0,0|2,0,0]=4 4844 B11R0.30 C=C(C)CCNCCCC(=O)O 4c01cc892d0c201003dffca49566a552 [1,1,0,0,0,0|1,0,0]=3 4845 B11R0.30 C=C(C)CCOCCCC(=O)C c857b7afecf58a12a51526b4b3ab25d1 [1,1,0,0,0,0|2,0,0]=4 4846 B11R0.30 C=C(C)CCOCCCC(=O)N d60753e03fcc6d3bb100636e7a7a8d9c [1,1,0,0,0,0|2,0,0]=4 4847 B11R0.30 C=C(C)CNCCCCC(=O)C e5e47fbe4a23264284b3e9004bab5dfc [1,1,0,0,0,0|2,0,0]=4 4848 B11R0.30 C=C(C)CNCCCCC(=O)N 07c208af9060d31ec411e72c1734e686 [1,1,0,0,0,0|2,0,0]=4 4849 B11R0.30 C=C(C)CNCCCCC(=O)O e9f19bdfbade7f5ebcb1d3a03088003e [1,1,0,0,0,0|1,0,0]=3 4850 B11R0.30 C=C(C)CNCCOCC(=O)O 341d888ab489099c9f65e21d06623337 [1,1,0,0,0,0|2,0,0]=4 4851 B11R0.30 C=C(C)CNCCSCC(=O)O 439950f306d0634682e555f978a53d4c [1,1,0,0,0,0|2,0,0]=4 4852 B11R0.30 C=C(C)COCCCCC(=O)C d77d62703298529e1957989657facca2 [1,1,0,0,0,0|2,0,0]=4 4853 B11R0.30 C=C(C)COCCCCC(=O)N 7acbea428b280a1bfb9fed501a2849f9 [1,1,0,0,0,0|2,0,0]=4 4854 B11R0.30 C=C(C)COCCCCC(=O)O 35e8b99d3aa4c924a74b1d98c7280906 [1,1,0,0,0,0|1,0,0]=3 4855 B11R0.30 C=C(C)COCCOCC(=O)O ade362170870553a6a4f4565dfe46b49 [1,1,0,0,0,0|2,0,0]=4 4856 B11R0.30 C=C(Cl)CNCCCCC(=O)N 0bca2bcea8b9c54e1388aaf2b252dc0e [1,1,0,0,0,0|2,0,0]=4 4857 B11R0.30 C=C(Cl)CNCCOCC(=O)O 2d3f160a438e839d71fd77275a0effac [1,1,0,0,0,0|2,0,0]=4 4858 B11R0.30 C=C(Cl)CNCCSCC(=O)O 61b268a2d9bb2a25ff3d8cc1b8c9f1b9 [1,1,0,0,0,0|2,0,0]=4 4859 B11R0.30 C=C(Cl)COCCCCC(=O)C 133e8d95683991b2f584e2a4f87e6587 [1,1,0,0,0,0|2,0,0]=4 4860 B11R0.30 C=C(Cl)COCCCCC(=O)N 56ccf7b79bb77b2bb091252cdeb41c2b [1,1,0,0,0,0|2,0,0]=4 4861 B11R0.30 C=C(Cl)COCCCCC(=O)O 6495c6d7945090ac2cd10f8a9bc1bb06 [1,1,0,0,0,0|1,0,0]=3 4862 B11R0.30 C=C(Cl)COCCOCC(=O)O ea11c632b66d7030f73052370df70a59 [1,1,0,0,0,0|2,0,0]=4 4863 B11R0.30 C=C(F)CNCCCCC(=O)N 1e0a9a416694b5708784a6569ea0c20d [1,1,0,0,0,0|2,0,0]=4 4864 B11R0.30 C=C(F)CNCCCCC(=O)O 0439aba0cc8c17a27577baa5041ef23c [1,1,0,0,0,0|1,0,0]=3 4865 B11R0.30 C=C(F)CNCCOCC(=O)O e2cc53f786732b6d9d0184c938a9b19a [1,1,0,0,0,0|2,0,0]=4 4866 B11R0.30 C=C(F)CNCCSCC(=O)O e2b70ba3fde5f46981d24bb01cb4a654 [1,1,0,0,0,0|2,0,0]=4 4867 B11R0.30 C=C(F)COCCCCC(=O)C 0beb89e5864100a7398d1311aea94be5 [1,1,0,0,0,0|2,0,0]=4 4868 B11R0.30 C=C(F)COCCCCC(=O)N 50e66ba8b88b9d788fd5bacb28c8fc6e [1,1,0,0,0,0|2,0,0]=4 4869 B11R0.30 C=C(F)COCCCCC(=O)O 7befe79ade50792c8803ada47635f246 [1,1,0,0,0,0|1,0,0]=3 4870 B11R0.30 C=C(F)COCCOCC(=O)O 009586bf80e1391f7a84ddc2e71f9b8b [1,1,0,0,0,0|2,0,0]=4 4871 B11R0.30 C=C(I)COCCCCC(=O)C 1a0f33cbf37d982d073bbb6dc4ee2ca9 [1,1,0,0,0,0|2,0,0]=4 4872 B11R0.30 C=C(I)COCCCCC(=O)N 4d63351c5c24f31de4784926d0a9c695 [1,1,0,0,0,0|2,0,0]=4 4873 B11R0.30 C=C(I)COCCOCC(=O)O 59c31a2fa2aeaa12e6d65c5b486d5335 [1,1,0,0,0,0|2,0,0]=4 4874 B11R0.30 CC(=O)CCCCNCC(=O)O 1c57a7ba0f4b7994ec3637755a7dd6e5 [1,1,0,0,0,0|1,0,1]=4 4875 B11R0.30 CC(=O)CCCCOCC(=O)O 9b9d1beac29b1e52af0a87800aa596f1 [1,1,0,0,0,0|1,0,1]=4 4876 B11R0.30 CC(=O)CCCNCCC(=O)O fad58c31a6bbc58fdd7ddd380df80eaa [1,1,0,0,0,0|1,0,1]=4 4877 B11R0.30 CC(=O)CCCOCCC(=O)O 0a4e8bfaee2ea1356de7862b185bfccb [1,1,0,0,0,0|1,0,1]=4 4878 B11R0.30 CC(=O)CCNCCCC(=O)O 56f4d878dc3100248d1a3bb95b838ccd [1,1,0,0,0,0|1,0,1]=4 4879 B11R0.30 CC(C)CCCCNCC(=O)O 39a93d590261e532e6f29909d3f91c16 [1,1,0,0,0,0|1,0,1]=4 4880 B11R0.30 CC(C)CCCCOCC(=O)O 11166f2d7cea686a04aab0f10eb2bc17 [1,1,0,0,0,0|1,0,1]=4 4881 B11R0.30 CC(C)CCCNCCC(=O)O 9fddffe46eb38a449aed1424523e58eb [1,1,0,0,0,0|1,0,1]=4 4882 B11R0.30 CC(C)CCCOCCC(=O)O 045ec022986b652ea5c7631767d6500a [1,1,0,0,0,0|1,0,1]=4 4883 B11R0.30 CC(C)CCNCCCC(=O)O e6b38baa886c90ac0d215e2a16fee953 [1,1,0,0,0,0|1,0,1]=4 4884 B11R0.30 CC(C)CNCCCCC(=O)O 5548bd77a92bf974b6877feef8de1811 [1,1,0,0,0,0|1,0,1]=4 4885 B11R0.30 CC(C)COCCCCC(=O)O 9dd6d4e8425617c9be3c7d35609714a4 [1,1,0,0,0,0|1,0,1]=4 4886 B11R0.30 CC(C)NCCCCCC(=O)O 0fa6dda8948ff26f06556f714a7766aa [1,1,0,0,0,0|1,0,1]=4 4887 B11R0.30 CC(C)OCCCCCC(=O)O db9a0ab4c678c26853cc6d16db0df97a [1,1,0,0,0,0|1,0,1]=4 4888 B11R0.30 CC(O)CCCCNCC(=O)O 8ace7019a75bd4e3f2fa1cdb39804ad3 [1,1,0,0,0,0|1,0,1]=4 4889 B11R0.30 CC(O)CCCNCCC(=O)O e545876e5122d6c93c5b82e9664781f0 [1,1,0,0,0,0|1,0,1]=4 4890 B11R0.30 CC(O)CCNCCCC(=O)O 6ee06c85843817aac8d5c523a45d2881 [1,1,0,0,0,0|1,0,1]=4 4891 B11R0.30 CC(O)CNCCCCC(=O)O 0fa47e549b47d5274161f6feb011a766 [1,1,0,0,0,0|1,0,1]=4 4892 B11R0.30 C[C@@H](O)CCCCNCC(=O)O 383e38e7bfaf5340113526b5bf38e00f [1,1,0,0,0,0|1,0,1]=4 4893 B11R0.30 C[C@@H](O)CCNCCCC(=O)O 9848f914bbdde66026dc5d82813febcd [1,1,0,0,0,0|1,0,1]=4 4894 B11R0.30 C[C@@H](O)CNCCCCC(=O)O fa7248fda5a7fc7c2d2e7dede51ec1b1 [1,1,0,0,0,0|1,0,1]=4 4895 B11R0.30 C[C@H](O)CCNCCCC(=O)O 0b4d40863c274eac47c210c41da2fdff [1,1,0,0,0,0|1,0,1]=4 4896 B11R0.30 C[C@H](O)CNCCCCC(=O)O 43b960b9894303888fc34352756603c5 [1,1,0,0,0,0|1,0,1]=4 4897 B11R0.30 NC(=O)CCCCNCC(=O)O 6682312f5a1b38d63cd044d72fb79846 [1,1,0,0,0,0|2,0,0]=4 4898 B11R0.30 NC(=O)CCCCOCC(=O)O 45ba4ceba8b92f16949d17d9cdbb81b2 [1,1,0,0,0,0|2,0,0]=4 4899 B11R0.30 NC(=O)CCCNCCC(=O)O 6003a41b4b8987071f37be3cbb711c88 [1,1,0,0,0,0|2,0,0]=4 4900 B11R0.30 NC(=O)CCCOCCC(=O)O 1e106da7712357d566cf80c0280b4e5f [1,1,0,0,0,0|2,0,0]=4 4901 B11R0.30 NC(=O)CCNCCCC(=O)O e782ef760c5710cc0f6e8f5520fd5d44 [1,1,0,0,0,0|2,0,0]=4 4902 B11R0.30 NC(=O)CNCCCCC(=O)O cfb91fe6bce99097b386e1b9c73dd0dd [1,1,0,0,0,0|2,0,0]=4 4903 B11R0.30 NC(=O)COCCCCC(=O)O 45bdfb28548944cbea97a36b8eb59637 [1,1,0,0,0,0|2,0,0]=4 4904 B11R0.30 NC(=S)CCNCCCC(=O)O 0b0fccb31b8b9cb7629e0e8403f925cd [1,1,0,0,0,0|2,0,0]=4 4905 B11R0.30 O=C(O)CCCCNCC(=O)O abfaebbce99cbb8145b3559e72aeeeca [1,1,0,0,0,0|2,0,0]=4 4906 B11R0.30 O=C(O)CCCCNCC(F)F 9c223d8ce652d420b959b2f70513cc0a [1,1,0,0,0,0|2,0,0]=4 4907 B11R0.30 O=C(O)CCCCOCC(=O)O a77fd82fc2f34ce7f1215325280a8376 [1,1,0,0,0,0|2,0,0]=4 4908 B11R0.30 O=C(O)CCCCOCC(F)F 83d1f5b14fc879abdc48147fdec24ca2 [1,1,0,0,0,0|2,0,0]=4 4909 B11R0.30 O=C(O)CCCNCCC(=O)O 0649a98bcffeb078ae2231333128bde3 [1,1,0,0,0,0|2,0,0]=4 4910 B11R0.30 O=C(O)CCCNCCC(F)F 2c1b3ef75bbe7cfd3b015e0f089f4ee6 [1,1,0,0,0,0|2,0,0]=4 4911 B11R0.30 O=C(O)CCCOCCC(F)F cca1cb0ac5d3c78ea3177449afc925bd [1,1,0,0,0,0|2,0,0]=4 4912 B11R0.30 O=C(O)CNCCCCC(F)F 7f071f6e392c7aeaadb036754b526099 [1,1,0,0,0,0|2,0,0]=4 4913 B11R0.40 C#CC(=O)NCCCCCC=C 182841f63f2b7accee7db020589e506b [1,1,0,0,0,0|2,0,0]=4 4914 B11R0.40 C=CCCCCCCN(C)C=O 0f21b832edb1c0664a15175fc8f190da [1,1,0,0,0,0|2,0,0]=4 4915 B11R0.40 C=CCCCCCCN(C)CO f42b5eb82b21fd57626ec7c2cc38e3f2 [1,1,0,0,0,0|2,0,0]=4 4916 B11R0.40 C=CCCCCCNC(=O)C=C 0e4d5641b1892615dcd9c55ce33f8093 [1,1,0,0,0,0|2,0,0]=4 4917 B11R0.40 C=CCCCCCNC(=O)C=O 9774b8175107d9651ad0108738c02c94 [1,1,0,0,0,0|1,0,1]=4 4918 B11R0.40 C=CCCCCCNC(=O)CC 26c14c6db596a82a3f1a5ba949ac12f2 [1,1,0,0,0,0|2,0,0]=4 4919 B11R0.40 C=CCCCCCNC(=O)CF 383e89edf6c49e915e53d11797c91b82 [1,1,0,0,0,0|2,0,0]=4 4920 B11R0.40 C=CCCCCCNC(=O)CO cd204ba3b2db84dd98668282e43c1935 [1,1,0,0,0,0|1,0,0]=3 4921 B11R0.40 C=CCCCCCNC(=O)CS 1846b33170a6391d8ddc40c3a67042fd [1,1,0,0,0,0|1,1,0]=4 4922 B11R0.40 C=CCCCCCOC(=C)C=O 4383dc7b074adee677666ce673ccbd9f [1,1,0,0,0,0|2,0,0]=4 4923 B11R0.40 C=CCCCCNCC(=C)CO 53a85b75dbaec9089207fca7f75e5107 [1,1,0,0,0,0|2,0,0]=4 4924 B11R0.40 C=CCCCCNCC(=C)OC b4c1723502eee4927937de3b32714b9c [1,1,0,0,0,0|2,0,0]=4 4925 B11R0.40 C=CCCCCNCC(=O)CC 920be5a0a2d5d343f4431906fa2e0710 [1,1,0,0,0,0|2,0,0]=4 4926 B11R0.40 C=CCCCCNCC(=O)CO 61a4f8f0e687cc04e68fb9f662c8507f [1,1,0,0,0,0|1,0,0]=3 4927 B11R0.40 C=CCCCCNCC(=O)NC ff5652fd166d2a89e3206de63222d6c5 [1,1,0,0,0,0|2,0,0]=4 4928 B11R0.40 C=CCCCCNCC(=O)NO 6eea32b16363483c11169fd5d61ebd3e [1,1,0,0,0,0|1,0,0]=3 4929 B11R0.40 C=CCCCCNCC(=O)OC 9793dbbee288dbcc904bdfdc467eead2 [1,1,0,0,0,0|1,0,0]=3 4930 B11R0.40 C=CCCCCOCC(=C)OC dec5749cfd3108c8086b02760df15b81 [1,1,0,0,0,0|2,0,0]=4 4931 B11R0.40 C=CCCCCOCC(=O)CC 23552c039cd37fdf08ab0585dd01cccb [1,1,0,0,0,0|2,0,0]=4 4932 B11R0.40 C=CCCCCOCC(=O)NC b3ea337a6c7ff6570176c18bcfdf334a [1,1,0,0,0,0|2,0,0]=4 4933 B11R0.40 C=CCCCCOCC(=O)OC c2a5e504b8fe567a17ce6510530e06a6 [1,1,0,0,0,0|1,0,0]=3 4934 B11R0.40 C=CCCCNCCC(=O)NC 4e7ddff7f04929ad85e41f358ffad988 [1,1,0,0,0,0|2,0,0]=4 4935 B11R0.40 C=CCCCNCCC(=O)NO 5e9b8b4c18dc6e95d3dafb5843bfe7af [1,1,0,0,0,0|1,0,0]=3 4936 B11R0.40 C=CCCCNCCC(=O)OC 03ae0f5343a761711b970197563b910a [1,1,0,0,0,0|1,0,0]=3 4937 B11R0.40 C=CCCCNCOC(=O)OC c5e83c3e156ad6a761bdabf83661eb43 [1,1,0,0,0,0|2,0,0]=4 4938 B11R0.40 C=CCCCOCCC(=O)NC 8b9a10fd93b42ea1f5ad0ccfd9a0905e [1,1,0,0,0,0|2,0,0]=4 4939 B11R0.40 C=CCCCOCCC(=O)OC af25e5caddbc710aac8373a02f9f65a9 [1,1,0,0,0,0|1,0,0]=3 4940 B11R0.40 C=CCCCOCOC(=O)OC 60b2d11371d7dcf399630fa95180dff3 [1,1,0,0,0,0|2,0,0]=4 4941 B11R0.40 C=CCCNCCCC(=O)C=C e0663bb6577636b44f40f091cc278688 [1,1,0,0,0,0|2,0,0]=4 4942 B11R0.40 C=CCCNCCCC(=O)NC 753559c5c83579f152478485cbf4d27f [1,1,0,0,0,0|2,0,0]=4 4943 B11R0.40 C=CCCNCCCC(=O)OC a13f98b3ef337f4094f8371aaf20bb0e [1,1,0,0,0,0|1,0,0]=3 4944 B11R0.40 C=CCCOCCCC(=O)C=C 7727d04353f3d0279f9a5808ae0ecbca [1,1,0,0,0,0|2,0,0]=4 4945 B11R0.40 C=CCCOCCCC(=O)NC ae735883771e46df0f7098cf69438f94 [1,1,0,0,0,0|2,0,0]=4 4946 B11R0.40 C=CCCOCCCC(=O)OC 393b6363e165ff3c61c249ab76125099 [1,1,0,0,0,0|1,0,0]=3 4947 B11R0.40 C=CCCOCCOC(=O)OC 9f4ad0a1ed4320c39dc956830989f093 [1,1,0,0,0,0|2,0,0]=4 4948 B11R0.40 C=CCNCCCCC(=O)OC 59e25587f83759760f06f8b306103bae [1,1,0,0,0,0|1,0,0]=3 4949 B11R0.40 C=CCOCCCCC(=O)OC 2f86a5aa905bc370d55876cced815f22 [1,1,0,0,0,0|1,0,0]=3 4950 B11R0.40 C=CCOCCNCC(=O)NO 02a53a9746115e53a9d30d7ea238abe2 [1,1,0,0,0,0|2,0,0]=4 4951 B11R0.40 C=CCOCCNCC(=O)OC 533fc95f0e89c9d59ed47943d3da7db1 [1,1,0,0,0,0|2,0,0]=4 4952 B11R0.40 C=CCOCCOCC(=O)OC b7333167375dfd4dac96e2e3231a9a86 [1,1,0,0,0,0|2,0,0]=4 4953 B11R0.40 C=COCCCNCC(=O)CO 6a384396bc0401773ab20c9c47fc1a68 [1,1,0,0,0,0|2,0,0]=4 4954 B11R0.40 C=COCCCNCC(=O)OC 1efe96f8fecaaa386eb4404673bd2994 [1,1,0,0,0,0|2,0,0]=4 4955 B11R0.40 C=COCCNCCC(=O)OC 8a6b5be05604bf2c8e9dc4bd0778a20b [1,1,0,0,0,0|2,0,0]=4 4956 B11R0.40 C=COCCOCCC(=O)OC 5c7e8dada14a9f35c364b1cc433da801 [1,1,0,0,0,0|2,0,0]=4 4957 B11R0.40 CCCCCCCNC(=O)CO 649c57dfd5f4fa0f4565341b8aa151e7 [1,1,0,0,0,0|1,0,1]=4 4958 B11R0.40 CCCCCCNCC(=O)CO 22481f5647b4924598aea5bd39f61ac5 [1,1,0,0,0,0|1,0,1]=4 4959 B11R0.40 CCCCCCNCC(=O)NO 70ed1d49a75a058f80d6cb8d6355c00e [1,1,0,0,0,0|1,0,1]=4 4960 B11R0.40 CCCCCCNCC(=O)OC b4b64d05ad9791105a1ead038a87d73e [1,1,0,0,0,0|1,0,1]=4 4961 B11R0.40 CCCCCCOCC(=O)OC 09bff5c54ea2c2317e4ffa1248f416e4 [1,1,0,0,0,0|1,0,1]=4 4962 B11R0.40 CCCCCNCCC(=O)NO 0e3cd417c385fa2267d618895d9f197e [1,1,0,0,0,0|1,0,1]=4 4963 B11R0.40 CCCCCNCCC(=O)OC 528d03f621767c5da7a29df90a9b38b7 [1,1,0,0,0,0|1,0,1]=4 4964 B11R0.40 CCCCCOCCC(=O)OC ccac832df9f8c79f4c2f2e191d935c4d [1,1,0,0,0,0|1,0,1]=4 4965 B11R0.40 CCCCNCCCC(=O)OC af4a3bbabc42a3dd3e1785630a7ed514 [1,1,0,0,0,0|1,0,1]=4 4966 B11R0.40 CCCCOCCCC(=O)OC 2c00c25d55f4aed289459825ca6caf67 [1,1,0,0,0,0|1,0,1]=4 4967 B11R0.40 CCCNCCCCC(=O)OC 060557c49fc8b2682bce09dcecd26897 [1,1,0,0,0,0|1,0,1]=4 4968 B11R0.40 CCCOCCCCC(=O)OC c38c96dc4e6815105987ed08074c5cd5 [1,1,0,0,0,0|1,0,1]=4 4969 B11R0.40 CCNCCCCCC(=O)OC 78bd529289af6b285c7f270dc69f9cc3 [1,1,0,0,0,0|1,0,1]=4 4970 B11R0.40 CCOCCCCCC(=O)OC 9b80041f3611c56f4bedd2a18eade3b1 [1,1,0,0,0,0|1,0,1]=4 4971 B11R0.40 COC(=O)CCCCCNC=O 22efc9ad3758996849ae1e958f0b43cd [1,1,0,0,0,0|2,0,0]=4 4972 B11R0.40 COC(=O)CCCCCNCF 2fdeafd19615aabdfecac65c7ee85598 [1,1,0,0,0,0|2,0,0]=4 4973 B11R0.40 COC(=O)CCCCCNCO af7eaee93a3fef3c4544e48a16c6e56f [1,1,0,0,0,0|2,0,0]=4 4974 B11R0.40 COC(=O)CCCCCOCF 3b8a2ff8fc1bef6bde3b7c835f3e6a30 [1,1,0,0,0,0|2,0,0]=4 4975 B11R0.40 COC(=O)CCCCNCC=O 4ab0720286230216fec2e56a50b11011 [1,1,0,0,0,0|2,0,0]=4 4976 B11R0.40 COC(=O)CCCCNCCBr 389a9425bed3fc47018de90353426cdc [1,1,0,0,0,0|2,0,0]=4 4977 B11R0.40 COC(=O)CCCCNCCF acdfcaf980a2e2514f502844739bd67a [1,1,0,0,0,0|2,0,0]=4 4978 B11R0.40 COC(=O)CCCCNCCI 8fc5f158498fb34376eecf1a634e8fc5 [1,1,0,0,0,0|2,0,0]=4 4979 B11R0.40 COC(=O)CCCCNCCO e7f0e01865858a91030334a948df571f [1,1,0,0,0,0|2,0,0]=4 4980 B11R0.40 COC(=O)CCCCNCCS 530b407c8654dbd48105c768dba745e8 [1,1,0,0,0,0|2,0,0]=4 4981 B11R0.40 COC(=O)CCCCOCC=O 91396fca85df59181da3d13a3ce3ce4f [1,1,0,0,0,0|2,0,0]=4 4982 B11R0.40 COC(=O)CCCCOCCF 1d20051be253a43f413739bd5e7398e1 [1,1,0,0,0,0|2,0,0]=4 4983 B11R0.40 COC(=O)CCCCOCCS 5f146b13f8bc53f0b1d9f8770994d494 [1,1,0,0,0,0|2,0,0]=4 4984 B11R0.40 COC(=O)CCCNCCC=O ff5e004c5473c559ed17b6eadd369b4e [1,1,0,0,0,0|2,0,0]=4 4985 B11R0.40 COC(=O)CCCNCCCCl 8508da7d6b43fa27c5046753d4a650fb [1,1,0,0,0,0|2,0,0]=4 4986 B11R0.40 COC(=O)CCCNCCCF c509034befe6b0b71c5e6bf9f704b220 [1,1,0,0,0,0|2,0,0]=4 4987 B11R0.40 COC(=O)CCCNCCCO ae78a0866713110e761cbc6c0669803d [1,1,0,0,0,0|2,0,0]=4 4988 B11R0.40 COC(=O)CCCNCCCS b8568108aca169fbbea4b0e8d5dcbc4d [1,1,0,0,0,0|2,0,0]=4 4989 B11R0.40 COC(=O)CCCOCCC=O 7e20773b50f615e5bf6590df878b7507 [1,1,0,0,0,0|2,0,0]=4 4990 B11R0.40 COC(=O)CCCOCCCF ad4a657375774e174695b5c380767605 [1,1,0,0,0,0|2,0,0]=4 4991 B11R0.40 COC(=O)CCCOCCCS 614db15c725c13d73ce896e4a3526258 [1,1,0,0,0,0|2,0,0]=4 4992 B11R0.40 COC(=O)CCNCCCC=O 36ecc984faa2b4edb05e1eef24adeddf [1,1,0,0,0,0|2,0,0]=4 4993 B11R0.40 COC(=O)CCNCCCCCl bb826384e531e4c800eddcc5d242e17f [1,1,0,0,0,0|2,0,0]=4 4994 B11R0.40 COC(=O)CCNCCCCF d4b42e07dbe86fc7a477b2dc03e98869 [1,1,0,0,0,0|2,0,0]=4 4995 B11R0.40 COC(=O)CCNCCCCO 01547e1a5ff564f49609eb19c19b3246 [1,1,0,0,0,0|2,0,0]=4 4996 B11R0.40 COC(=O)CCNCCCCS e5445b20c264ac106343d36efa453bce [1,1,0,0,0,0|2,0,0]=4 4997 B11R0.40 COC(=O)CCOCCCC=O 9a2e5e19c2bcf1573b84c91f41579bf1 [1,1,0,0,0,0|2,0,0]=4 4998 B11R0.40 COC(=O)CCOCCCCF fdd63d188c06e45bc0534668d783c9fe [1,1,0,0,0,0|2,0,0]=4 4999 B11R0.40 COC(=O)CCOCCCCS 3b9308a913cffb35eed8fd20b29ba3e8 [1,1,0,0,0,0|2,0,0]=4 5000 B11R0.40 COC(=O)CNCCCCC=O 44cb8d3deb7b70f3ec297431d02ef7a4 [1,1,0,0,0,0|2,0,0]=4 5001 B11R0.40 COC(=O)CNCCCCCCl 0c1d69aaf18f86e286dc851d6b343161 [1,1,0,0,0,0|2,0,0]=4 5002 B11R0.40 COC(=O)CNCCCCCF 820ed3e8b866d3514f6760b96b1f6d43 [1,1,0,0,0,0|2,0,0]=4 5003 B11R0.40 COC(=O)CNCCCCCO 5569fb90468880f109cc36d64e9a9a82 [1,1,0,0,0,0|2,0,0]=4 5004 B11R0.40 COC(=O)COCCCCC=O c980f88c2addfeab188fbf48650b4298 [1,1,0,0,0,0|2,0,0]=4 5005 B11R0.40 COC(=O)COCCCCCF cba36326a78ca1f965959e137fb7ac72 [1,1,0,0,0,0|2,0,0]=4 5006 B11R0.40 O=C(CCNCCCCF)NO 017670fe7ceb2cab251c80df3081b80f [1,1,0,0,0,0|2,0,0]=4 5007 B11R0.40 O=C(CCNCCCCO)NO a88ee6183f2279d0ef7955aee8b5390f [1,1,0,0,0,0|2,0,0]=4 5008 B11R0.40 O=C(CNCCCCCF)NO bb2e68b122e81136ef69349e61ee5e9c [1,1,0,0,0,0|2,0,0]=4 5009 B11R0.40 O=C(CNCCCCCO)NO 147cd889eb10e26d74dc067964e2b2a2 [1,1,0,0,0,0|2,0,0]=4 5010 B11R0.40 O=C(CO)CNCCCCCCl 606a142a4758e981892716dfd004ff3b [1,1,0,0,0,0|2,0,0]=4 5011 B11R0.40 O=C(CO)CNCCCCCO dd2db0edcecc3767d3c9d40443d3d1ae [1,1,0,0,0,0|2,0,0]=4 5012 B11R0.40 O=C(CO)NCCCCCCCl dbfc21936551b9a9fe635f023097f8d4 [1,1,0,0,0,0|2,0,0]=4 5013 B11R0.40 O=C(CO)NCCCCCCO 7bfceec3914389840f05d685c72f8368 [1,1,0,0,0,0|2,0,0]=4 5014 B11R0.40 O=CCCCCNCC(=O)NO abde188407949f5585ca4d6488af4616 [1,1,0,0,0,0|2,0,0]=4 5015 B11R0.40 O=CCCCNCCC(=O)NO eaee7b65fe0aa1a5da7866d7fcd8e6e9 [1,1,0,0,0,0|2,0,0]=4 5016 B11R0.42 C=CCCCCCN(C)C(=O)C 664801ee289f12ee51070a36b79d9684 [1,1,0,0,0,0|2,0,0]=4 5017 B11R0.42 C=CCCCCNC(C)C(=O)C 2c680ab8978db1a691a2a56a14a01be3 [1,1,0,0,0,0|2,0,0]=4 5018 B11R0.42 C=CCCCCNC(C)C(=O)N 05bc97200aa192ef2b2432d11d52637d [1,1,0,0,0,0|2,0,0]=4 5019 B11R0.42 C=CCCCCNC(C)C(=O)O ef3467223fd89dc986b31ceb793c94a2 [1,1,0,0,0,0|1,0,0]=3 5020 B11R0.42 C=CCCCCNC(F)C(=O)N 3f718fd4179f78986f6aea6c1b4876b2 [1,1,0,0,0,0|2,0,0]=4 5021 B11R0.42 C=CCCCCNC(F)C(=O)O 3eda636dc2e7f28e464cc27fb3c4e67e [1,1,0,0,0,0|1,0,0]=3 5022 B11R0.42 C=CCCCCNC(O)C(=O)O 54ba432986884fa133ea41d4291ad8d5 [1,1,0,0,0,0|1,0,0]=3 5023 B11R0.42 C=CCCCCN[C@@H](C)C(=O)N 7134511cc25dc0141a3c2cee227e191a [1,1,0,0,0,0|2,0,0]=4 5024 B11R0.42 C=CCCCCN[C@@H](C)C(=O)O 11d49dc439a978136fe85f150411ad48 [1,1,0,0,0,0|1,0,0]=3 5025 B11R0.42 C=CCCCCN[C@@H](F)C(=O)O 4cdbd55cc52d3cd606666d598baa041b [1,1,0,0,0,0|1,0,0]=3 5026 B11R0.42 C=CCCCCN[C@H](C)C(=O)N 1536b95bd7d2adc368209394534b6394 [1,1,0,0,0,0|2,0,0]=4 5027 B11R0.42 C=CCCCCN[C@H](C)C(=O)O 6336b98519562764364617a0efcdbfe6 [1,1,0,0,0,0|1,0,0]=3 5028 B11R0.42 C=CCCCCOC(C)C(=O)C 1c485c6e914f008b6a09023a1c513e8d [1,1,0,0,0,0|2,0,0]=4 5029 B11R0.42 C=CCCCCOC(C)C(=O)N 862bc5b6dc1aa252c909607f5bd1cefe [1,1,0,0,0,0|2,0,0]=4 5030 B11R0.42 C=CCCCCOC(C)C(=O)O 268ccf752852c616900da8c671378436 [1,1,0,0,0,0|1,0,0]=3 5031 B11R0.42 C=CCCCCOC(F)C(=O)N d839e5e48b9c6de4276161ef0643f241 [1,1,0,0,0,0|2,0,0]=4 5032 B11R0.42 C=CCCCCO[C@@H](C)C(=O)N 4b9aa368007c971318c02d873388131f [1,1,0,0,0,0|2,0,0]=4 5033 B11R0.42 C=CCCCCO[C@@H](C)C(=O)O f3df5e1772cb5c7fd174d41c3a0bfeb4 [1,1,0,0,0,0|1,0,0]=3 5034 B11R0.42 C=CCCCCO[C@H](C)C(=O)N 2f959e43d59d36c8b469bc25e0094ba2 [1,1,0,0,0,0|2,0,0]=4 5035 B11R0.42 C=CCCCCO[C@H](C)C(=O)O f195d31d72ffa962d27a71c5bd633f51 [1,1,0,0,0,0|1,0,0]=3 5036 B11R0.42 C=CCCCNCC(=C)C(=O)O 4cc8fc264a24adf25c2afe4edf38376a [1,1,0,0,0,0|1,0,1]=4 5037 B11R0.42 C=CCCCNCC(=O)C(=O)O e3f5f131212cd142c005faab488cc43a [1,1,0,0,0,0|1,0,1]=4 5038 B11R0.42 C=CCCCNCC(C)C(=O)O 1e4884361eab86fe6bf7c0c8a519b646 [1,1,0,0,0,0|1,0,0]=3 5039 B11R0.42 C=CCCCNCC(F)C(=O)O af62f0f9494ff551fecc11ed7deb1ed6 [1,1,0,0,0,0|1,0,0]=3 5040 B11R0.42 C=CCCCNCC(O)C(=O)O 89410c49f2508ff58f41c21aaf2ae6da [1,1,0,0,0,0|1,0,0]=3 5041 B11R0.42 C=CCCCNC[C@@H](C)C(=O)O a7f30d91285436bedbf627c86d5f64a5 [1,1,0,0,0,0|1,0,0]=3 5042 B11R0.42 C=CCCCNC[C@@H](O)C(=O)O cbf2e1d6be57ddb84a1b507bed63c235 [1,1,0,0,0,0|1,0,0]=3 5043 B11R0.42 C=CCCCNC[C@H](C)C(=O)O c05c60d7e9ff8c7bf06a33f6fd6e61f5 [1,1,0,0,0,0|1,0,0]=3 5044 B11R0.42 C=CCCCNC[C@H](O)C(=O)O 557dbf149aff437149a73fe8fbd6d10e [1,1,0,0,0,0|1,0,0]=3 5045 B11R0.42 C=CCCCOCC(=C)C(=O)O bc9e744963d29b0dd1f7635f12b8f9f1 [1,1,0,0,0,0|1,0,1]=4 5046 B11R0.42 C=CCCCOCC(=O)C(=O)O 27914073a8860aa62759c34c784f5da4 [1,1,0,0,0,0|1,0,1]=4 5047 B11R0.42 C=CCCCOCC(C)C(=O)C f4d4e0700f0dec70356e7fc7abea931b [1,1,0,0,0,0|2,0,0]=4 5048 B11R0.42 C=CCCCOCC(C)C(=O)O 36c19f9573b2538bfd2cd43c5bee8271 [1,1,0,0,0,0|1,0,0]=3 5049 B11R0.42 C=CCCCOC[C@@H](C)C(=O)O 6404390c1ee7719f475d1571d4ef75be [1,1,0,0,0,0|1,0,0]=3 5050 B11R0.42 C=CCCCOC[C@H](C)C(=O)O 76f92d00efbd6193d1df8b4cd4a65219 [1,1,0,0,0,0|1,0,0]=3 5051 B11R0.42 C=CCCNCCC(C)C(=O)C 8e549ac4d725de203371d04a03f5eb3a [1,1,0,0,0,0|2,0,0]=4 5052 B11R0.42 C=CCCNCCC(F)C(=O)O 4e9c7d5fb9363cdd1f63c70b636cb42d [1,1,0,0,0,0|1,0,0]=3 5053 B11R0.42 C=CCCNCCC(O)C(=O)O 81b6345347be5fdcd52775aff9654765 [1,1,0,0,0,0|1,0,0]=3 5054 B11R0.42 C=CCCNCC[C@H](O)C(=O)O 92719c3815d369c232f5c8b9748a3d2f [1,1,0,0,0,0|1,0,0]=3 5055 B11R0.42 C=CCCOCCC(C)C(=O)C 02eaa135e7ae6ec60dafd1100cf2cb6f [1,1,0,0,0,0|2,0,0]=4 5056 B11R0.42 C=CCOCCNC(C)C(=O)O 0ac98be00910c33f2bdbe1709131a15a [1,1,0,0,0,0|2,0,0]=4 5057 B11R0.42 C=CCOCCNC(O)C(=O)O 79334d57cc7c822090bd788c2187839a [1,1,0,0,0,0|2,0,0]=4 5058 B11R0.42 C=CCOCCN[C@@H](C)C(=O)O 1a234607a13135fbbf9aae76dc620c17 [1,1,0,0,0,0|2,0,0]=4 5059 B11R0.42 C=CCOCCN[C@H](C)C(=O)O 3c2d70ccf106c02ffeaebc0cdbf87a38 [1,1,0,0,0,0|2,0,0]=4 5060 B11R0.42 C=CCOCCOC(C)C(=O)O db2bc1e6d047aa241469a095a7b206ce [1,1,0,0,0,0|2,0,0]=4 5061 B11R0.42 C=CCOCCOC(F)C(=O)O 0126dbf3ac20632a636ea6fb7956caba [1,1,0,0,0,0|2,0,0]=4 5062 B11R0.42 C=CCOCCO[C@@H](C)C(=O)O 4cdd7fcf38434d39773676e3b1df6df8 [1,1,0,0,0,0|2,0,0]=4 5063 B11R0.42 C=CCOCCO[C@@H](F)C(=O)O ea4a2649102e255143b51a48fd4cb8d3 [1,1,0,0,0,0|2,0,0]=4 5064 B11R0.42 C=CCOCCO[C@H](C)C(=O)O 1d22f07dcca60d76fbdfea97bf113021 [1,1,0,0,0,0|2,0,0]=4 5065 B11R0.42 C=COCCCNC(C)C(=O)O 0eb9824465ac468c114068beab2c097e [1,1,0,0,0,0|2,0,0]=4 5066 B11R0.42 C=COCCCN[C@@H](C)C(=O)O e28672167232786c8ed4792cc6f031c7 [1,1,0,0,0,0|2,0,0]=4 5067 B11R0.42 C=COCCCN[C@H](C)C(=O)O f4ab00b3f21feadf223cb8454f291788 [1,1,0,0,0,0|2,0,0]=4 5068 B11R0.42 C=COCCNCC(C)C(=O)O 8a13b6844c7b74ab9a1a074e910c5363 [1,1,0,0,0,0|2,0,0]=4 5069 B11R0.42 C=COCCNCC(O)C(=O)O 77afb956ae492ca6d3b59d274c632bed [1,1,0,0,0,0|2,0,0]=4 5070 B11R0.42 C=COCCNC[C@H](O)C(=O)O 0e4b522f96d32fa8e52798f618d4b3b7 [1,1,0,0,0,0|2,0,0]=4 5071 B11R0.42 C=COCCOCC(C)C(=O)O 8eee7050fd69a540638baaa846a810a7 [1,1,0,0,0,0|2,0,0]=4 5072 B11R0.42 CC(CCCNCCBr)C(=O)O f993012066c5246b198ccbd0d901dad3 [1,1,0,0,0,0|2,0,0]=4 5073 B11R0.42 CC(CCCNCCF)C(=O)O 0a58968733c5578ba00df270f8b683f9 [1,1,0,0,0,0|2,0,0]=4 5074 B11R0.42 CC(CCCNCCI)C(=O)O 4387609a1933463348bbdedc5c2acb5f [1,1,0,0,0,0|2,0,0]=4 5075 B11R0.42 CC(CCCNCCO)C(=O)O 5399f2a28bf18de06d42c9bec805fd96 [1,1,0,0,0,0|2,0,0]=4 5076 B11R0.42 CC(CCCNCCS)C(=O)O 10670fe7f9f6b8515ea82a6322840ae3 [1,1,0,0,0,0|2,0,0]=4 5077 B11R0.42 CC(CCCOCCF)C(=O)O 5b703a09be3689cf6d24114b38e7f575 [1,1,0,0,0,0|2,0,0]=4 5078 B11R0.42 CC(CCCOCCS)C(=O)O 0b39aaa3468af1cff8546b1bf363f6ef [1,1,0,0,0,0|2,0,0]=4 5079 B11R0.42 CC(CNCCCC=O)C(=O)O 6e868dd6729be5c6125658bde52ad4fc [1,1,0,0,0,0|2,0,0]=4 5080 B11R0.42 CC(CNCCCCCl)C(=O)O d9a9a3d5798f61652990c93457d2ee04 [1,1,0,0,0,0|2,0,0]=4 5081 B11R0.42 CC(CNCCCCF)C(=O)O ad006fcc6fdb92c3bf8db9ca1c4a4984 [1,1,0,0,0,0|2,0,0]=4 5082 B11R0.42 CC(CNCCCCO)C(=O)O 51dec7e27fa7da6558a4218a5b3c02c0 [1,1,0,0,0,0|2,0,0]=4 5083 B11R0.42 CC(CNCCCCS)C(=O)O fd3127d41f8d19526de4b5cf8d0e9082 [1,1,0,0,0,0|2,0,0]=4 5084 B11R0.42 CC(COCCCC=O)C(=O)O 7a870e40922d197135c706c34155709d [1,1,0,0,0,0|2,0,0]=4 5085 B11R0.42 CC(COCCCCF)C(=O)O 36e6a15f06e34ceb655797ee41f963d2 [1,1,0,0,0,0|2,0,0]=4 5086 B11R0.42 CC(COCCCCS)C(=O)O 80a102b471ea2a87f600ee611a224060 [1,1,0,0,0,0|2,0,0]=4 5087 B11R0.42 CC(NCCCCC=O)C(=O)O 72173ef09ef9e352aba21286c12af51e [1,1,0,0,0,0|2,0,0]=4 5088 B11R0.42 CC(NCCCCCCl)C(=O)O 367ae711b8cbab97d33b7930fa5b93a4 [1,1,0,0,0,0|2,0,0]=4 5089 B11R0.42 CC(NCCCCCF)C(=O)O 61170dc10b3ff42752f4221c6fa290bf [1,1,0,0,0,0|2,0,0]=4 5090 B11R0.42 CC(NCCCCCO)C(=O)O fc4381ef531faf41d073a6c02bce2035 [1,1,0,0,0,0|2,0,0]=4 5091 B11R0.42 CC(OCCCCC=O)C(=O)O 5d6bb8f6e0d8a4c1c99c82e63e5ebd9d [1,1,0,0,0,0|2,0,0]=4 5092 B11R0.42 CC(OCCCCCF)C(=O)O 635dad89702c82dc68f6fea8c076366e [1,1,0,0,0,0|2,0,0]=4 5093 B11R0.42 CCCCCCNC(C)C(=O)O 50bfa12bfc8c95b1997dd92553c2e32b [1,1,0,0,0,0|1,0,1]=4 5094 B11R0.42 CCCCCCNC(O)C(=O)O d5631789bd7704646a19262486df8915 [1,1,0,0,0,0|1,0,1]=4 5095 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 395de785801e54e5b92d8ae30cfb56de [1,1,0,0,0,0|1,0,1]=4 5096 B11R0.42 CCCCCCN[C@H](C)C(=O)O 49da1238680c9629cec61a676283fa13 [1,1,0,0,0,0|1,0,1]=4 5097 B11R0.42 CCCCCCOC(C)C(=O)O ba21e8aa3b32a1583572a63691edc513 [1,1,0,0,0,0|1,0,1]=4 5098 B11R0.42 CCCCCCOC(F)C(=O)O 6513d7d3184867dd4d6531ac1435f34c [1,1,0,0,0,0|1,0,1]=4 5099 B11R0.42 CCCCCCO[C@@H](C)C(=O)O 71ae583b09335f51d5b93320f22a9636 [1,1,0,0,0,0|1,0,1]=4 5100 B11R0.42 CCCCCCO[C@@H](F)C(=O)O bc9bab01eee21fa811102268d0d068e6 [1,1,0,0,0,0|1,0,1]=4 5101 B11R0.42 CCCCCCO[C@H](C)C(=O)O 30eec93387a99e6543ce01b336b219ad [1,1,0,0,0,0|1,0,1]=4 5102 B11R0.42 CCCCCNCC(C)C(=O)O d7ab8a865b04f3ca26ed1bb56f29829b [1,1,0,0,0,0|1,0,1]=4 5103 B11R0.42 CCCCCNCC(F)C(=O)O 6dd9378b212fed9498da6f1ac0af33ab [1,1,0,0,0,0|1,0,1]=4 5104 B11R0.42 CCCCCNCC(O)C(=O)O 4e5cb041e0083e3d17fdc334715c0c74 [1,1,0,0,0,0|1,0,1]=4 5105 B11R0.42 CCCCCNC[C@@H](C)C(=O)O 3e8b2dbf5e151483377f52c4aa7ca0f3 [1,1,0,0,0,0|1,0,1]=4 5106 B11R0.42 CCCCCNC[C@@H](O)C(=O)O 7c3f58b6f5b64e5c04dcd3ba9159f99b [1,1,0,0,0,0|1,0,1]=4 5107 B11R0.42 CCCCCNC[C@H](C)C(=O)O 906bee280cec00a604dd42f884ea0431 [1,1,0,0,0,0|1,0,1]=4 5108 B11R0.42 CCCCCNC[C@H](O)C(=O)O 116e84833776cfa4df322a97659aa73d [1,1,0,0,0,0|1,0,1]=4 5109 B11R0.42 CCCCCOCC(C)C(=O)O abdc6858bb4bef1d08a29ea26aabc6cc [1,1,0,0,0,0|1,0,1]=4 5110 B11R0.42 CCCCCOC[C@@H](C)C(=O)O c0e8d04b997b71c90836c735580fb74d [1,1,0,0,0,0|1,0,1]=4 5111 B11R0.42 CCCCCOC[C@H](C)C(=O)O e68c2b0f49fdf9ce2ac4956f8f5292fa [1,1,0,0,0,0|1,0,1]=4 5112 B11R0.42 CCCCNCCC(F)C(=O)O 8e9109fc2b84600842974fef2be5abe0 [1,1,0,0,0,0|1,0,1]=4 5113 B11R0.42 CCCCNCCC(O)C(=O)O c62833d2767c42162c05c00866c68c67 [1,1,0,0,0,0|1,0,1]=4 5114 B11R0.42 CCCCNCC[C@H](O)C(=O)O b87f453e24319785102f4b7103d302e5 [1,1,0,0,0,0|1,0,1]=4 5115 B11R0.42 CCCNCCCC(C)C(=O)O 9a4c115d144a60b49341a6de4b76f6c9 [1,1,0,0,0,0|1,0,1]=4 5116 B11R0.42 CCCOCCCC(C)C(=O)O 01585b70a1b61ec5a4fd8b0afc139c7c [1,1,0,0,0,0|1,0,1]=4 5117 B11R0.42 C[C@@H](CNCCCC=O)C(=O)O 7dd4600a9bdb1ce82712cbfb25f0c70b [1,1,0,0,0,0|2,0,0]=4 5118 B11R0.42 C[C@@H](CNCCCCF)C(=O)O 8e95ee71746c30b535dbf7275d3d6996 [1,1,0,0,0,0|2,0,0]=4 5119 B11R0.42 C[C@@H](CNCCCCO)C(=O)O 13fb9dad6b986b4529bbd59252d1fb36 [1,1,0,0,0,0|2,0,0]=4 5120 B11R0.42 C[C@@H](COCCCC=O)C(=O)O 13382fba44752e9b197e392877bcf908 [1,1,0,0,0,0|2,0,0]=4 5121 B11R0.42 C[C@@H](COCCCCF)C(=O)O ee56b3f59d1599297da33a3c70eb1776 [1,1,0,0,0,0|2,0,0]=4 5122 B11R0.42 C[C@@H](NCCCCC=O)C(=O)O f7e81257ed402a74e62519079c6b5ca0 [1,1,0,0,0,0|2,0,0]=4 5123 B11R0.42 C[C@@H](NCCCCCCl)C(=O)O 43a549663308329945e14a44007f5f2e [1,1,0,0,0,0|2,0,0]=4 5124 B11R0.42 C[C@@H](NCCCCCF)C(=O)O 133a3ac908b473639816170f249b624f [1,1,0,0,0,0|2,0,0]=4 5125 B11R0.42 C[C@@H](NCCCCCO)C(=O)O ab537cd2731b5048a8aa82edb106b6d7 [1,1,0,0,0,0|2,0,0]=4 5126 B11R0.42 C[C@@H](OCCCCC=O)C(=O)O 1af58ec7938d43a84439caa2dec841c2 [1,1,0,0,0,0|2,0,0]=4 5127 B11R0.42 C[C@@H](OCCCCCF)C(=O)O 0dd95bc42b77368a1b2cce3a9036c2a7 [1,1,0,0,0,0|2,0,0]=4 5128 B11R0.42 C[C@H](CNCCCC=O)C(=O)O bad81203efd443dafc5533b3c057f118 [1,1,0,0,0,0|2,0,0]=4 5129 B11R0.42 C[C@H](CNCCCCF)C(=O)O 45085acdd096c58b06de42f69a74ebdb [1,1,0,0,0,0|2,0,0]=4 5130 B11R0.42 C[C@H](CNCCCCO)C(=O)O 4063dc10fdcd4429e12152c301ba60d8 [1,1,0,0,0,0|2,0,0]=4 5131 B11R0.42 C[C@H](COCCCC=O)C(=O)O e4bbd986f433363496c47ca534a77878 [1,1,0,0,0,0|2,0,0]=4 5132 B11R0.42 C[C@H](COCCCCF)C(=O)O 2418931f9815c40ba60596daeef1f645 [1,1,0,0,0,0|2,0,0]=4 5133 B11R0.42 C[C@H](NCCCCC=O)C(=O)O ff04ef48dcec02d99b54e325d958f6fb [1,1,0,0,0,0|2,0,0]=4 5134 B11R0.42 C[C@H](NCCCCCCl)C(=O)O 0d8b3336357ef7a813df2ad1159d8cd8 [1,1,0,0,0,0|2,0,0]=4 5135 B11R0.42 C[C@H](NCCCCCF)C(=O)O 1f2ebdd115197ad1180fa4549e438f1c [1,1,0,0,0,0|2,0,0]=4 5136 B11R0.42 C[C@H](NCCCCCO)C(=O)O 013ac2706385c076dd48e585382b77af [1,1,0,0,0,0|2,0,0]=4 5137 B11R0.42 C[C@H](OCCCCC=O)C(=O)O 111f168da1407d5a38bd3273a0e91acc [1,1,0,0,0,0|2,0,0]=4 5138 B11R0.42 C[C@H](OCCCCCF)C(=O)O 0a4f02d7c00f4424470149709ff5c13d [1,1,0,0,0,0|2,0,0]=4 5139 B11R0.42 O=C(O)C(F)CCNCCCF 20aab4ab1db877e067ca7ce87e5196e4 [1,1,0,0,0,0|2,0,0]=4 5140 B11R0.42 O=C(O)C(F)CCNCCCO 4b202a1b5e3bba575f1a3b2fee92c0ca [1,1,0,0,0,0|2,0,0]=4 5141 B11R0.42 O=C(O)C(F)CCNCCCS 02df3d9fc4e4e92494bf98e252487f42 [1,1,0,0,0,0|2,0,0]=4 5142 B11R0.42 O=C(O)C(F)CNCCCCF 00ee1754ed970571480fdc59e00d294e [1,1,0,0,0,0|2,0,0]=4 5143 B11R0.42 O=C(O)C(F)CNCCCCO 2a84dcc3ad29fe1889989e00f1ccb20d [1,1,0,0,0,0|2,0,0]=4 5144 B11R0.42 O=C(O)C(O)CCNCCCF b55a287ddbbb142fafbff5d157ee232b [1,1,0,0,0,0|2,0,0]=4 5145 B11R0.42 O=C(O)C(O)CCNCCCO 73b60751b2b9a82b9883811a26ce210d [1,1,0,0,0,0|2,0,0]=4 5146 B11R0.42 O=C(O)C(O)CNCCCCCl 8f356771434c5c2ff41c5cd1cd50317b [1,1,0,0,0,0|2,0,0]=4 5147 B11R0.42 O=C(O)C(O)CNCCCCF 418dd8c527fffa3fbd0c14c12850dd0a [1,1,0,0,0,0|2,0,0]=4 5148 B11R0.42 O=C(O)C(O)CNCCCCO 145ca259f9416fe00b8d81c2df187cc9 [1,1,0,0,0,0|2,0,0]=4 5149 B11R0.42 O=C(O)C(O)NCCCCCF 7045c79cb8d5343b2fb79526c0352dc2 [1,1,0,0,0,0|2,0,0]=4 5150 B11R0.42 O=C(O)C(O)NCCCCCO 3e6ba4b727c0b43ba4e996e67d3a9fe2 [1,1,0,0,0,0|2,0,0]=4 5151 B11R0.42 O=C(O)[C@@H](O)CCNCCCF 1da7f3449d95c674941c66cb2b9de388 [1,1,0,0,0,0|2,0,0]=4 5152 B11R0.42 O=C(O)[C@@H](O)CCNCCCO e624afb6aed08fc3dbe024b776bc8a81 [1,1,0,0,0,0|2,0,0]=4 5153 B11R0.42 O=C(O)[C@@H](O)CNCCCCCl 1a5c341d5b32bffa91f14c120b2da658 [1,1,0,0,0,0|2,0,0]=4 5154 B11R0.42 O=C(O)[C@@H](O)CNCCCCF e232a63334cd0cf785988d9303b2bb62 [1,1,0,0,0,0|2,0,0]=4 5155 B11R0.42 O=C(O)[C@@H](O)CNCCCCO 2aa6c41d906977475989cd086090dc11 [1,1,0,0,0,0|2,0,0]=4 5156 B11R0.42 O=C(O)[C@H](O)CNCCCCF 4619e327e2e778741d03409e6a3a0b18 [1,1,0,0,0,0|2,0,0]=4 5157 B11R0.42 O=C(O)[C@H](O)CNCCCCO 1412dd69c649025554f5c222fb23c1d9 [1,1,0,0,0,0|2,0,0]=4 5158 B11R0.42 O=CCCCCNC(O)C(=O)O afc8da8d34f792250a02d336469f4e3d [1,1,0,0,0,0|2,0,0]=4 5159 B11R0.42 O=CCCCNCC(F)C(=O)O d55477f78c943c27b1ee0ee149c615c8 [1,1,0,0,0,0|2,0,0]=4 5160 B11R0.42 O=CCCCNCC(O)C(=O)O 7c74ad6f8324920483f94b2b2f42295a [1,1,0,0,0,0|2,0,0]=4 5161 B11R0.42 O=CCCCNC[C@@H](O)C(=O)O 2356c2cf26c733e8e4bdb5fc6068225a [1,1,0,0,0,0|2,0,0]=4 5162 B11R0.42 O=CCCCNC[C@H](O)C(=O)O 01aedf367a69e159822395a8e116621b [1,1,0,0,0,0|2,0,0]=4 5163 B11R0.42 O=CCCNCCC(F)C(=O)O 6de9843c21c071bda69d0b927f690482 [1,1,0,0,0,0|2,0,0]=4 5164 B11R0.42 O=CCCNCCC(O)C(=O)O c36f5564f55a7b226882109711a25c12 [1,1,0,0,0,0|2,0,0]=4 5165 B11R0.42 O=CCCNCC[C@H](O)C(=O)O 131122ed267b64e13a186a5cef1fae6b [1,1,0,0,0,0|2,0,0]=4 5166 B11R0.46 C=CCCCN(C)CCC(=O)C 111080208cc28eafa0ddf892ec896fc9 [1,1,0,0,0,0|2,0,0]=4 5167 B11R0.46 C=CCCCN(C)CCC(=O)N 7b831f285fa4c4569d7ca46bbdde9402 [1,1,0,0,0,0|2,0,0]=4 5168 B11R0.46 C=CCCCN(C)CCC(=O)O bc2e3834d31d71696289cfcfcf3fa0b0 [1,1,0,0,0,0|1,0,0]=3 5169 B11R0.46 C=CCCC[C@H](C)OCC(=O)N c1fd30ff0cccc445b8dcb11939707ffc [1,1,0,0,0,0|2,0,0]=4 5170 B11R0.46 C=CCCC[C@H](C)OCC(=O)O 7e08510543e564fde34d2d269f71cb52 [1,1,0,0,0,0|1,0,0]=3 5171 B11R0.46 C=CCCNC(C)CCC(=O)O 7ade98402aaa227191c230c8833a4b5d [1,1,0,0,0,0|1,0,0]=3 5172 B11R0.46 C=CCCN[C@@H](C)CCC(=O)O 65ef9b8a2c46de8ac0057a5941c6b7bd [1,1,0,0,0,0|1,0,0]=3 5173 B11R0.46 C=CCCOC(C)CCC(=O)O 5b27a9accfc034b3ffabfd9fe2c8c595 [1,1,0,0,0,0|1,0,0]=3 5174 B11R0.46 C=CCNCC(=O)CCC(=O)O 9dd701c272e0b323e39b3683654b147c [1,1,0,0,0,0|1,0,1]=4 5175 B11R0.46 CC(CCC(=O)O)NCCC=O c6e05b069d281f6f0174481b4a43fac7 [1,1,0,0,0,0|2,0,0]=4 5176 B11R0.46 CC(CCC(=O)O)NCCCCl 0c5726326a5ac744389838ca32f33650 [1,1,0,0,0,0|2,0,0]=4 5177 B11R0.46 CC(CCC(=O)O)NCCCF c72d9ab1b6334f56ab15801ac7c5c4eb [1,1,0,0,0,0|2,0,0]=4 5178 B11R0.46 CC(CCC(=O)O)NCCCO 9f474b864a0f9a1d6914b674e5d77698 [1,1,0,0,0,0|2,0,0]=4 5179 B11R0.46 CC(CCC(=O)O)OCCC=O 52fa7656c31b86cc211b5c2e40656d70 [1,1,0,0,0,0|2,0,0]=4 5180 B11R0.46 CC(CCC(=O)O)OCCCF a30a71ea7c3b566a9ad3318917402b5a [1,1,0,0,0,0|2,0,0]=4 5181 B11R0.46 CC(CCC(=O)O)OCCCS 72cf467bc9040fda699004aa4e91ad77 [1,1,0,0,0,0|2,0,0]=4 5182 B11R0.46 CC(CCCCO)NCC(=O)O 1e3367a2bce532bdba078601384912b2 [1,1,0,0,0,0|2,0,0]=4 5183 B11R0.46 CCCCCC(C)NCC(=O)O 1bfdcef2296e34b5c0fe308e42cf1372 [1,1,0,0,0,0|1,0,1]=4 5184 B11R0.46 CCCCCC(C)OCC(=O)O 57324f0b00c57fa34b0ceda6a018e6d9 [1,1,0,0,0,0|1,0,1]=4 5185 B11R0.46 CCCCCN(C)CCC(=O)O 099f3f711cc11015825f627121b0638e [1,1,0,0,0,0|1,0,1]=4 5186 B11R0.46 CCCCC[C@@H](C)OCC(=O)O 977fea29395a7a8bfc512e7fc52361b2 [1,1,0,0,0,0|1,0,1]=4 5187 B11R0.46 CCCCC[C@H](C)NCC(=O)O 0380343a2030d4f567471addb377c0f8 [1,1,0,0,0,0|1,0,1]=4 5188 B11R0.46 CCCCC[C@H](C)OCC(=O)O 2b403272079d6041b1d247155ecbff7c [1,1,0,0,0,0|1,0,1]=4 5189 B11R0.46 CCCCNC(C)CCC(=O)O 25c90a2485d50f2e9558822a2afe4934 [1,1,0,0,0,0|1,0,1]=4 5190 B11R0.46 CCCCN[C@@H](C)CCC(=O)O 58abdf559e912f346c8193efceaa0201 [1,1,0,0,0,0|1,0,1]=4 5191 B11R0.46 CCCCOC(C)CCC(=O)O 650839c4954f706a638df6d6a91762ae [1,1,0,0,0,0|1,0,1]=4 5192 B11R0.46 CN(CCCC=O)CCC(=O)O 3f02e5fc36171de11bc4c8d948f5e1a2 [1,1,0,0,0,0|2,0,0]=4 5193 B11R0.46 CN(CCCCF)CCC(=O)O 076b63b0e507ace524d2d3a6f1c52c73 [1,1,0,0,0,0|2,0,0]=4 5194 B11R0.46 CN(CCCCO)CCC(=O)O 2bc2d7f7b9b8b0c02d377a30bfb30a8f [1,1,0,0,0,0|2,0,0]=4 5195 B11R0.46 C[C@@H](CCC(=O)O)NCCC=O 96a15778e28e2b72456755712ed24172 [1,1,0,0,0,0|2,0,0]=4 5196 B11R0.46 C[C@@H](CCC(=O)O)NCCCF 4c98ba9fbad36ec0b7f799189ec29383 [1,1,0,0,0,0|2,0,0]=4 5197 B11R0.46 C[C@@H](CCC(=O)O)NCCCO 42d62f7c0c1655845a0f648060232319 [1,1,0,0,0,0|2,0,0]=4 5198 B11R0.111 C=CC(=O)CCCNCC(=O)O 462757829ce5ff6dde207d38c9a77f25 [1,1,0,0,0,0|1,0,1]=4 5199 B11R0.111 C=CC(=O)CCCOCC(=O)O 2c439353d52c7bb94cac9fb988b02c0b [1,1,0,0,0,0|1,0,1]=4 5200 B11R0.111 C=CC(C)COCCCC(=O)C c6c9d8fff020a51ea00570293f9dcc68 [1,1,0,0,0,0|2,0,0]=4 5201 B11R0.111 C=CC(C)COCCCC(=O)N 77c50c2af37056acde10d69d4ffb4ed9 [1,1,0,0,0,0|2,0,0]=4 5202 B11R0.111 C=CC(C)COCCCC(=O)O e009fc86a19e6f6949a7d7d3fb53c9dc [1,1,0,0,0,0|1,0,0]=3 5203 B11R0.111 C=CC(C)NCCCCC(=O)C 36a1f5f288ab7adf7d9663252995c5ca [1,1,0,0,0,0|2,0,0]=4 5204 B11R0.111 C=CC(C)NCCCCC(=O)N 30e33830ff64eec10ee6e8b322e5072f [1,1,0,0,0,0|2,0,0]=4 5205 B11R0.111 C=CC(C)NCCCCC(=O)O e2ba5801a4e2349df0f4e02a951e65e7 [1,1,0,0,0,0|1,0,0]=3 5206 B11R0.111 C=CC(C)NCCOCC(=O)O bc26651a46eb63da79139fdbd35e22d0 [1,1,0,0,0,0|2,0,0]=4 5207 B11R0.111 C=CC(C)NCCSCC(=O)O e6224c565e196187dd6564679b32aa13 [1,1,0,0,0,0|2,0,0]=4 5208 B11R0.111 C=CC(C)OCCCCC(=O)C 1a52154541e8da6c546f0cac9b302ea5 [1,1,0,0,0,0|2,0,0]=4 5209 B11R0.111 C=CC(C)OCCCCC(=O)N c804c87a8b5563e62a7c261d3d83b77a [1,1,0,0,0,0|2,0,0]=4 5210 B11R0.111 C=CC(C)OCCCCC(=O)O d3490ad49368eb16a2cd22ced0979aa3 [1,1,0,0,0,0|1,0,0]=3 5211 B11R0.111 C=CC(C)OCCOCC(=O)O b15bd0ee857ff16d8ca84f7f9fa41d9e [1,1,0,0,0,0|2,0,0]=4 5212 B11R0.111 C=CC(O)CNCCCC(=O)C b4e17aa5fb4484ad3812a7f0ce56ff11 [1,1,0,0,0,0|2,0,0]=4 5213 B11R0.111 C=CC(O)CNCCCC(=O)N 602b5fcd1305748ad20c18fa3b4324d0 [1,1,0,0,0,0|2,0,0]=4 5214 B11R0.111 C=CC(O)CNCCCC(=O)O 4cb85aa7bc7348fef9dbff636ceb2379 [1,1,0,0,0,0|1,0,0]=3 5215 B11R0.111 C=C[C@H](C)OCCCCC(=O)C 1a435d58798cb1f50da405c5b06c5865 [1,1,0,0,0,0|2,0,0]=4 5216 B11R0.111 C=C[C@H](C)OCCCCC(=O)N 0374149342913d3cef15e3a1837528a6 [1,1,0,0,0,0|2,0,0]=4 5217 B11R0.111 C=C[C@H](C)OCCCCC(=O)O df57aa3d35506c1aefdb3a461ef1f3df [1,1,0,0,0,0|1,0,0]=3 5218 B11R0.111 C=C[C@H](C)OCCOCC(=O)O 6bc4c55e7f1b4997c68a5973d5233c84 [1,1,0,0,0,0|2,0,0]=4 5219 B11R0.111 CC(C=O)NCCCCC(=O)O af7f8961a4c0836811d4da32e31cae7f [1,1,0,0,0,0|2,0,0]=4 5220 B11R0.111 CC(C=O)OCCCCC(=O)O 15364b586a28a3ed45b87fe27ac885d6 [1,1,0,0,0,0|2,0,0]=4 5221 B11R0.111 CC(CO)CCCNCC(=O)O 1de1fc102d36f3ca60c60feaef5a18df [1,1,0,0,0,0|2,0,0]=4 5222 B11R0.111 CC(CO)CCNCCC(=O)O c1d6cecf9a207e3fcbb9eb8ac8dc0ed4 [1,1,0,0,0,0|2,0,0]=4 5223 B11R0.111 CC(CO)CNCCCC(=O)O b1ae6f9c8b7f795e4c4a6b2eb0136324 [1,1,0,0,0,0|2,0,0]=4 5224 B11R0.111 CC(CO)NCCCCC(=O)O 8a44e8d6b033cd0087db382fadbb5769 [1,1,0,0,0,0|2,0,0]=4 5225 B11R0.111 CCC(C)CCCOCC(=O)O 0499bf36e08b4b6291cbe67911409c42 [1,1,0,0,0,0|1,0,1]=4 5226 B11R0.111 CCC(C)CCNCCC(=O)O cec12697eb033e4fbae2a331d12d45c2 [1,1,0,0,0,0|1,0,1]=4 5227 B11R0.111 CCC(C)CCOCCC(=O)O 4b77e9d8aa524d45b395588cd9a284ae [1,1,0,0,0,0|1,0,1]=4 5228 B11R0.111 CCC(C)CNCCCC(=O)O 09cbf9bf2923470c1370f970f974ffdd [1,1,0,0,0,0|1,0,1]=4 5229 B11R0.111 CCC(C)NCCCCC(=O)O 9c5b51db971f07f8217489ecab23b5ff [1,1,0,0,0,0|1,0,1]=4 5230 B11R0.111 CCC(C)OCCCCC(=O)O 719924b88b0deb49fa59be4ee32bc9b0 [1,1,0,0,0,0|1,0,1]=4 5231 B11R0.111 CCC(O)CNCCCC(=O)O 4758614ea6560ee12ecbdf67b15a3ea9 [1,1,0,0,0,0|1,0,1]=4 5232 B11R0.111 CCC(S)CCOCCC(=O)O 17852c227724ccb40abd0882458ac146 [1,1,0,0,0,0|1,0,1]=4 5233 B11R0.111 CC[C@@H](C)CNCCCC(=O)O cbbb4833d76c35ba1c919a574dc3e7a6 [1,1,0,0,0,0|1,0,1]=4 5234 B11R0.111 CC[C@@H](O)CNCCCC(=O)O f623457a926912731522f7071f5ddda7 [1,1,0,0,0,0|1,0,1]=4 5235 B11R0.111 CC[C@H](C)CCCOCC(=O)O 650fab3a57b034a98a3481ab37720e3e [1,1,0,0,0,0|1,0,1]=4 5236 B11R0.111 CC[C@H](C)CCOCCC(=O)O b62c105d7bb109321d0f567dcae2cb8b [1,1,0,0,0,0|1,0,1]=4 5237 B11R0.111 CC[C@H](C)CNCCCC(=O)O 581363f28c8dee1645a4a70b50ddfe0e [1,1,0,0,0,0|1,0,1]=4 5238 B11R0.111 C[C@@H](CO)CCNCCC(=O)O 30a375361b9f4af6db8d2a9012d9a68f [1,1,0,0,0,0|2,0,0]=4 5239 B11R0.111 C[C@@H](CO)CNCCCC(=O)O 495a53f1c00368528d8892b9ab51f372 [1,1,0,0,0,0|2,0,0]=4 5240 B11R0.111 C[C@@H](CO)NCCCCC(=O)O 79c29743d7d4ad51d55419e583527ba4 [1,1,0,0,0,0|2,0,0]=4 5241 B11R0.111 C[C@H](C=O)NCCCCC(=O)O 74c777713205aba69e6ac82d0f977dbf [1,1,0,0,0,0|2,0,0]=4 5242 B11R0.111 C[C@H](C=O)OCCCCC(=O)O 2f9e844b1b93833f94223244705c8a50 [1,1,0,0,0,0|2,0,0]=4 5243 B11R0.111 C[C@H](CO)CNCCCC(=O)O 1a3e02c5e0e49b1c6153afee32ab4d8d [1,1,0,0,0,0|2,0,0]=4 5244 B11R0.111 C[C@H](CO)NCCCCC(=O)O e63c72f49e346371737a769985b09cc7 [1,1,0,0,0,0|2,0,0]=4 5245 B11R0.111 O=C(O)CCCNCC(F)CO e0ce63e5164a9fbab0e64bf81c442e4c [1,1,0,0,0,0|2,0,0]=4 5246 B11R0.111 O=C(O)CCCNCC(O)CF 30209f0d030ba40ef812d525bf05c6ba [1,1,0,0,0,0|2,0,0]=4 5247 B11R0.111 O=C(O)CCCNCC(O)CO ab2951dded088b502e96f7014e2f2d40 [1,1,0,0,0,0|2,0,0]=4 5248 B11R0.111 O=C(O)CCCNC[C@@H](F)CO fbeea5ab965e7a22517422448962c6de [1,1,0,0,0,0|2,0,0]=4 5249 B11R0.111 O=C(O)CCCNC[C@@H](O)CO 8b77ce7807c010d7e4095c355a594d1c [1,1,0,0,0,0|2,0,0]=4 5250 B11R0.111 O=C(O)CCCNC[C@H](F)CO 33364142682d0c2b783a9f7a45cfebb3 [1,1,0,0,0,0|2,0,0]=4 5251 B11R0.111 O=C(O)CCCNC[C@H](O)CO 79e1acfd6bde6efc5b7ae65df1aa4e82 [1,1,0,0,0,0|2,0,0]=4 5252 B11R0.111 O=C(O)CCNCCC(O)CO 915db0b58bf081b309421a3744f3b6e8 [1,1,0,0,0,0|2,0,0]=4 5253 B11R0.147 C=CCCC(C)NCCC(=O)N 22694d35d2d39d9d40b447249b20a1c1 [1,1,0,0,0,0|2,0,0]=4 5254 B11R0.147 C=CCCC(C)NCCC(=O)O 336c37156388903affc4d3fac03da16f [1,1,0,0,0,0|1,0,0]=3 5255 B11R0.147 C=CCCC(C)NCCS(=O)O 317da934e4c8704fe161665798de1360 [1,1,0,0,0,0|2,0,0]=4 5256 B11R0.147 C=CCCC(C)OCCC(=O)C c29b87f1d64193a55544e18ee82d70dd [1,1,0,0,0,0|2,0,0]=4 5257 B11R0.147 C=CCCC(C)OCCC(=O)N c1876a14329bf9bab38132ff847c43ef [1,1,0,0,0,0|2,0,0]=4 5258 B11R0.147 C=CCCC(C)OCCC(=O)O c8005f5a8bf42c9b20de5db906950509 [1,1,0,0,0,0|1,0,0]=3 5259 B11R0.147 C=CCCC(O)CNCC(=O)N 2d989fbb7a1e4bca8093622a8806a9fb [1,1,0,0,0,0|2,0,0]=4 5260 B11R0.147 C=CCCC(O)CNCC(=O)O b682c721d9fa6728137e9d00e94695b5 [1,1,0,0,0,0|1,0,0]=3 5261 B11R0.147 C=CCCN(C)CCCC(=O)C 6b5ea6086b936f8c35af47fe20bce151 [1,1,0,0,0,0|2,0,0]=4 5262 B11R0.147 C=CCCN(C)CCCC(=O)N 34642667ebc9aa1d7aae537adbc09b99 [1,1,0,0,0,0|2,0,0]=4 5263 B11R0.147 C=CCCN(C)CCCC(=O)O 0ba853d0f3ac6a911361fd3d33b1d9d6 [1,1,0,0,0,0|1,0,0]=3 5264 B11R0.147 C=CCC[C@@H](C)OCCC(=O)C f643928d2174d9110eda71b62cbc0cad [1,1,0,0,0,0|2,0,0]=4 5265 B11R0.147 C=CCC[C@@H](C)OCCC(=O)N 590ef195c261d0851c105f324ecf3eeb [1,1,0,0,0,0|2,0,0]=4 5266 B11R0.147 C=CCC[C@@H](C)OCCC(=O)O 39dc89129a3bc546d97c0d0caf093529 [1,1,0,0,0,0|1,0,0]=3 5267 B11R0.147 C=CCC[C@@H](O)CNCC(=O)C 5a633ad4845d761d741e6b5589f02813 [1,1,0,0,0,0|2,0,0]=4 5268 B11R0.147 C=CCC[C@@H](O)CNCC(=O)N 7cae5c5810d809613856e164b69f3d5c [1,1,0,0,0,0|2,0,0]=4 5269 B11R0.147 C=CCC[C@@H](O)CNCC(=O)O 72191a00a7a0ec1d5615ec262f326774 [1,1,0,0,0,0|1,0,0]=3 5270 B11R0.147 CC(CCCO)NCCC(=O)O 0a84f673b85627d338064254e1b9d482 [1,1,0,0,0,0|2,0,0]=4 5271 B11R0.147 CCCCC(C)COCC(=O)O 9ef64333eda5ab77446d850437b4b702 [1,1,0,0,0,0|1,0,1]=4 5272 B11R0.147 CCCCC(C)NCCC(=O)O c7b1f15f3546628c2966408987ee05d4 [1,1,0,0,0,0|1,0,1]=4 5273 B11R0.147 CCCCC(O)CNCC(=O)O 12d23a216214115c26b91a124bcfe6f6 [1,1,0,0,0,0|1,0,1]=4 5274 B11R0.147 CCCCN(C)CCCC(=O)O d27e769f81999c0feb094daf3684f278 [1,1,0,0,0,0|1,0,1]=4 5275 B11R0.147 CCCC[C@@H](C)NCCC(=O)O b6fdd76e08178d66c6878d9a951d46a6 [1,1,0,0,0,0|1,0,1]=4 5276 B11R0.147 CN(CCC=O)CCCC(=O)O 3f4953d79ca5c8abf0cd8a42b5820739 [1,1,0,0,0,0|2,0,0]=4 5277 B11R0.147 CN(CCCF)CCCC(=O)O 7847e8daa408c57a846702c31809d4ce [1,1,0,0,0,0|2,0,0]=4 5278 B11R0.147 CN(CCCO)CCCC(=O)O 5943ca1e540c5e55779b3ddbe6e0cecd [1,1,0,0,0,0|2,0,0]=4 5279 B11R0.147 CN(CCCS)CCCC(=O)O 7ae1a8afe0cc8572683c4290214feb77 [1,1,0,0,0,0|2,0,0]=4 5280 B11R0.147 C[C@H](CCCO)CNCC(=O)O 5a64b86a049ce0228ff2384ea32773b8 [1,1,0,0,0,0|2,0,0]=4 5281 B11R0.147 C[C@H](CCCO)NCCC(=O)O f39244f1439986cbae7056b6fb46fb5c [1,1,0,0,0,0|2,0,0]=4 5282 B11R0.159 C=CCCCCNCS(=O)(=O)O 0627244cfad3951b37ce5d524513897c [1,1,0,0,0,0|2,0,0]=4 5283 B11R0.159 C=CCCCCOCS(=O)(=O)O e9d9bda24635d0c2ceb1645789c47483 [1,1,0,0,0,0|2,0,0]=4 5284 B11R0.159 C=CCCCNCCS(=O)(=O)O 430e2068f6278fe80b036092b86167d2 [1,1,0,0,0,0|2,0,0]=4 5285 B11R0.159 C=CCCCOCCS(=O)(=O)O 4ddbc0260622a52efde4af9d74a1d41b [1,1,0,0,0,0|2,0,0]=4 5286 B11R0.159 C=CCCNCCCS(=O)(=O)O 7cffdcfb05710aa0b20a9718b7f4ce39 [1,1,0,0,0,0|2,0,0]=4 5287 B11R0.159 C=CCCOCCCS(=O)(=O)O babc6bf46c6d60d408e90cd77e56f986 [1,1,0,0,0,0|2,0,0]=4 5288 B11R0.159 C=CCOCCCCS(=O)(=O)O 8028cc4021fc8c188fa507428f9764ba [1,1,0,0,0,0|2,0,0]=4 5289 B11R0.176 C=CCC(C)CNCCC(=O)N d0975bf6be19fc7c31a007196d77bc49 [1,1,0,0,0,0|2,0,0]=4 5290 B11R0.176 C=CCC(C)CNCCC(=O)O 1ecd5a2f20e52ea2bfbac226506e06fd [1,1,0,0,0,0|1,0,0]=3 5291 B11R0.176 C=CCC(C)CNCCS(=O)O 20ae3ff74bb60ebd150ca5a24dbc50c9 [1,1,0,0,0,0|2,0,0]=4 5292 B11R0.176 C=CCC(C)COCCC(=O)C 442278ed5e3fd6e87548b77a1f79f919 [1,1,0,0,0,0|2,0,0]=4 5293 B11R0.176 C=CCC(C)COCCC(=O)N 122606d23dcc58a091c7ef2f0b37f415 [1,1,0,0,0,0|2,0,0]=4 5294 B11R0.176 C=CCC(C)COCCC(=O)O 7da5151627dce117261f03e3872dc554 [1,1,0,0,0,0|1,0,0]=3 5295 B11R0.176 C=CCC(C)OCCCC(=O)C 72b8c9f06566392235d7155abdc326ab [1,1,0,0,0,0|2,0,0]=4 5296 B11R0.176 C=CCC(C)OCCCC(=O)N 300d197472755afdb1214bf27029797f [1,1,0,0,0,0|2,0,0]=4 5297 B11R0.176 C=CCC(O)CNCCC(=O)C 478a13e82cb229d488a4258253846a83 [1,1,0,0,0,0|2,0,0]=4 5298 B11R0.176 C=CCC(O)CNCCC(=O)N 4a6a76a92e90ae675e55e5ae30c7fe13 [1,1,0,0,0,0|2,0,0]=4 5299 B11R0.176 C=CCC(O)CNCCC(=O)O c90f8e08ebb30cb6a2cd4edbc3aea50b [1,1,0,0,0,0|1,0,0]=3 5300 B11R0.176 C=CCN(C)CCCCC(=O)C 7d6543a848976a645616086e8c65ff46 [1,1,0,0,0,0|2,0,0]=4 5301 B11R0.176 C=CCN(C)CCCCC(=O)N 171dc10733884d1584256f9e9ed2f908 [1,1,0,0,0,0|2,0,0]=4 5302 B11R0.176 C=CCN(C)CCCCC(=O)O de26898023e2f0bb52a2587f20c91829 [1,1,0,0,0,0|1,0,0]=3 5303 B11R0.176 C=CCN(C)CCOCC(=O)O 36556235dd46abd9b947cb074f70089e [1,1,0,0,0,0|2,0,0]=4 5304 B11R0.176 C=CC[C@@H](C)OCCCC(=O)C 07533f864e902403d9fa95c720aff5e2 [1,1,0,0,0,0|2,0,0]=4 5305 B11R0.176 C=CC[C@@H](C)OCCCC(=O)N 0476019e88b34056733c0f643394a560 [1,1,0,0,0,0|2,0,0]=4 5306 B11R0.176 C=CC[C@H](C)OCCCC(=O)C 56dc3dff3acd786707915a73c25893d1 [1,1,0,0,0,0|2,0,0]=4 5307 B11R0.176 C=CC[C@H](C)OCCCC(=O)N 17c41af8123cac6b669d203e734f5c14 [1,1,0,0,0,0|2,0,0]=4 5308 B11R0.176 CC(CCO)CNCCC(=O)O 1ab39c4fac67489d41b1d4f91d97f4c7 [1,1,0,0,0,0|2,0,0]=4 5309 B11R0.176 CC(CCO)NCCCC(=O)O 2ab90a0be5ab9a8c6a31ff20f85d9888 [1,1,0,0,0,0|2,0,0]=4 5310 B11R0.176 CCCC(C)CCOCC(=O)O 58d54a522ab047b6bc16c21f6d8fc26f [1,1,0,0,0,0|1,0,1]=4 5311 B11R0.176 CCCC(C)CNCCC(=O)O 73577dfd03901eef4bbe55dae4ae1fb2 [1,1,0,0,0,0|1,0,1]=4 5312 B11R0.176 CCCC(C)COCCC(=O)O bd84fe650b47e44f2be6aeb7b4c8bf06 [1,1,0,0,0,0|1,0,1]=4 5313 B11R0.176 CCCC(C)NCCCC(=O)O 04c4a7a7f4ffa1b1244fa093c18dae54 [1,1,0,0,0,0|1,0,1]=4 5314 B11R0.176 CCCC(O)CNCCC(=O)O 74f98abd31079fd9c6942e28afbcf109 [1,1,0,0,0,0|1,0,1]=4 5315 B11R0.176 CCCC(S)CCOCC(=O)O 82e8413d3a62e6cdf39de4a52bb4d7db [1,1,0,0,0,0|1,0,1]=4 5316 B11R0.176 CCCN(C)CCCCC(=O)O daac98f71969a61f3a6ff1214645bf8a [1,1,0,0,0,0|1,0,1]=4 5317 B11R0.176 CCC[C@H](C)NCCCC(=O)O 0524477b3463cafee31b71a289309eed [1,1,0,0,0,0|1,0,1]=4 5318 B11R0.176 CN(CC=O)CCCCC(=O)O f2f147fe012603e2b1794a77ead24a28 [1,1,0,0,0,0|2,0,0]=4 5319 B11R0.176 CN(CCF)CCCCC(=O)O 71a182ebaa7165e270a8035109e56244 [1,1,0,0,0,0|2,0,0]=4 5320 B11R0.176 CN(CCO)CCCCC(=O)O d79c655a40001a61187c32d43162451b [1,1,0,0,0,0|2,0,0]=4 5321 B11R0.176 CN(CCS)CCCCC(=O)O cce85b55a77bc80c23be6c823ca8ebe7 [1,1,0,0,0,0|2,0,0]=4 5322 B11R0.176 C[C@@H](CCO)NCCCC(=O)O aa94313cd6d93ff1eae8e62290362358 [1,1,0,0,0,0|2,0,0]=4 5323 B11R0.176 C[C@H](CCO)NCCCC(=O)O 16c2017fc07560fe8790be04a376de0d [1,1,0,0,0,0|2,0,0]=4 5324 B11R0.176 O=C(O)CCOC[C@@H](O)CCO 1943caf4cbf992cc7ad4ec2408f04729 [1,1,0,0,0,0|2,0,0]=4 5325 B11R0.3 C#CCCCCCCNCC=C e1dca476c799ffe498b628def614e01d [1,1,0,0,0,0|1,0,1]=4 5326 B11R0.3 C#CCCCCCCNCC=O 03a3b50d2fcf9d8c5b85b66ba9a10e35 [1,1,0,0,0,0|0,0,2]=4 5327 B11R0.3 C#CCCCCCCOCC=C 392e848506bbe8de13c10e027f0ccda6 [1,1,0,0,0,0|1,0,1]=4 5328 B11R0.3 C#CCCCCCCOCC=O 312ebe70fe4798563dd97f0dcfdc0bdc [1,1,0,0,0,0|0,0,2]=4 5329 B11R0.3 C#CCCCCCNCCC=C 45b713cb260af3f4bf5c150cad712e84 [1,1,0,0,0,0|1,0,1]=4 5330 B11R0.3 C#CCCCCCNCCC=O 0528a63c223db8c344eba572888c2a3f [1,1,0,0,0,0|0,0,2]=4 5331 B11R0.3 C#CCCCCCOCCC=C c34b48fb7aa2647040479b5e3f6bd75e [1,1,0,0,0,0|1,0,1]=4 5332 B11R0.3 C#CCCCCCOCCC=O f0596342481e78986acec51e324041c8 [1,1,0,0,0,0|0,0,2]=4 5333 B11R0.3 C#CCCCCNCCCC=C c667457660be4d464c4e34a5b584afc9 [1,1,0,0,0,0|1,0,1]=4 5334 B11R0.3 C#CCCCCNCCCC=O 831c6073ed4f04f935eea659102743af [1,1,0,0,0,0|0,0,2]=4 5335 B11R0.3 C#CCCCCOCCCC=C a03d2adcfe5cc166a9a5971776734f19 [1,1,0,0,0,0|1,0,1]=4 5336 B11R0.3 C#CCCCCOCCCC=O ab1598c1293389c129e412c390018b05 [1,1,0,0,0,0|0,0,2]=4 5337 B11R0.3 C#CCCCNCCCCC=C 0a6cf1eb85413fcd67683d500529c59d [1,1,0,0,0,0|1,0,1]=4 5338 B11R0.3 C#CCCCNCCCCC=O c60d17c066a2c9b52b4421db019e8715 [1,1,0,0,0,0|0,0,2]=4 5339 B11R0.3 C#CCCCOCCCCC=C 491bfdba7b72c8aaf7a59bd18e48aa8a [1,1,0,0,0,0|1,0,1]=4 5340 B11R0.3 C#CCCCOCCCCC=O 211c2ef4b3739ed5a2ffffbcbe2e5990 [1,1,0,0,0,0|0,0,2]=4 5341 B11R0.3 C#CCCNCCCCCC=C fe2a5f8e2cba207f1ce89ee0c093d47f [1,1,0,0,0,0|1,0,1]=4 5342 B11R0.3 C#CCCNCCCCCC=O 3904c7b99600d0e4a78e443167168826 [1,1,0,0,0,0|0,0,2]=4 5343 B11R0.3 C#CCCOCCCCCC=C 151860c5f7e4ce4358f8101f7df555e6 [1,1,0,0,0,0|1,0,1]=4 5344 B11R0.3 C#CCCOCCCCCC=O 4c0b83251d077ad9531babbf8d30eb8a [1,1,0,0,0,0|0,0,2]=4 5345 B11R0.3 C#CCNCCCCCCC=C 486b57f778b8c3f0e9023dfc8b50a459 [1,1,0,0,0,0|1,0,1]=4 5346 B11R0.3 C#CCNCCCCCCC=O 9a8a3ea345965139e6887a9556496a66 [1,1,0,0,0,0|0,0,2]=4 5347 B11R0.3 C#CCOCCCCCCC=C 7712a5f947d8e24aef4ecdab4a594aec [1,1,0,0,0,0|1,0,1]=4 5348 B11R0.3 C#CCOCCCCCCC=O ac9f6a2e0c12f838ae1902207e952c0e [1,1,0,0,0,0|0,0,2]=4 5349 B11R0.3 C/C=C/CCCOCCCC=O 7bcb0e0439cb2196243206e1ea6c159e [1,1,0,0,0,0|1,0,0]=3 5350 B11R0.3 C/C=C/CCOCCCCC=O 6101818191c9a7a26ef7914bc4455eae [1,1,0,0,0,0|1,0,0]=3 5351 B11R0.3 C/C=C/CCOCCOCC=O 0fdacc351fb081cf0f9776f924ea9108 [1,1,0,0,0,0|2,0,0]=4 5352 B11R0.3 C/C=C/CNCCCCCCO cdf0d52a075ece1bb240a0814bfd9729 [1,1,0,0,0,0|1,0,1]=4 5353 B11R0.3 C/C=C/COCCCCCC=O d4e9745163301d7b8e112f407d05beae [1,1,0,0,0,0|1,0,0]=3 5354 B11R0.3 C/C=C\CCCNCCCCO 5dacd7c8214b914449a51fec0c6766c5 [1,1,0,0,0,0|1,0,1]=4 5355 B11R0.3 C/C=C\CCCOCCCC=O 07250c98eb751e21f337b02d3011f463 [1,1,0,0,0,0|1,0,0]=3 5356 B11R0.3 C/C=C\CCCOCCNC=O 8736fb4408b6649fefa607201a39633d [1,1,0,0,0,0|2,0,0]=4 5357 B11R0.3 C/C=C\CCCOCCOC=O 763f59a303dcd48248d48af64f1db77d [1,1,0,0,0,0|2,0,0]=4 5358 B11R0.3 C/C=C\CNCCCCCCO 42e28273b98b0f681dc90950a5c4c0ac [1,1,0,0,0,0|1,0,1]=4 5359 B11R0.3 C/C=C\COCCCCCC=O 561e313e5399e3b9aac96be56cb260a2 [1,1,0,0,0,0|1,0,0]=3 5360 B11R0.3 C=C/C=C/CCNCCCC=O 8ae9cffad8fed316370e0af54ed52beb [1,1,0,0,0,0|0,0,2]=4 5361 B11R0.3 C=C=CCCOCCCCC=C 540690109a8810ab50dc0f142dc3b74f [1,1,0,0,0,0|2,0,0]=4 5362 B11R0.3 C=C=CCCOCCCCC=O 0ef19cdf26aad60771e0187cfcfced77 [1,1,0,0,0,0|1,0,0]=3 5363 B11R0.3 C=C=CCCOCCOCC=O ffcef9146492a65fd72b8bafebe3fd01 [1,1,0,0,0,0|2,0,0]=4 5364 B11R0.3 C=CCC#CCCOCCC=O fbde0ffef1a8a6c3c2ec7689580a8967 [1,1,0,0,0,0|0,0,2]=4 5365 B11R0.3 C=CCCC/C=C/COCC=O d2b05efceb6d21ecbde0b88afa3575b5 [1,1,0,0,0,0|0,0,2]=4 5366 B11R0.3 C=CCCCCCCCNC#N af2ac252e41727b2358f2e0586b61edf [1,1,0,0,0,0|1,0,1]=4 5367 B11R0.3 C=CCCCCCCCOCC ed14b0620af6de10a0e50df9aa44f9c3 [1,1,0,0,0,0|1,0,1]=4 5368 B11R0.3 C=CCCCCCCCOCF 8461249b228d9c69521f686d4a9e58c7 [1,1,0,0,0,0|1,0,1]=4 5369 B11R0.3 C=CCCCCCCNCC#N 09c313159064aae637a460c7471e9590 [1,1,0,0,0,0|1,0,1]=4 5370 B11R0.3 C=CCCCCCCNCCBr 2c05498f95e69c90df5041d2dad3d87d [1,1,0,0,0,0|1,0,1]=4 5371 B11R0.3 C=CCCCCCCNCCC a40bb91c630069b9a44746e8fb1ba5be [1,1,0,0,0,0|1,0,1]=4 5372 B11R0.3 C=CCCCCCCNCCF d92840ca8df9ce4d78866dfc97e5672b [1,1,0,0,0,0|1,0,1]=4 5373 B11R0.3 C=CCCCCCCNCCI a654cb2779351e00ab509aeee1415718 [1,1,0,0,0,0|1,0,1]=4 5374 B11R0.3 C=CCCCCCCNCCO 2c9abafa186d2b5691cddaec3db0e98a [1,1,0,0,0,0|0,0,1]=3 5375 B11R0.3 C=CCCCCCCNCCS e7a9c4131e06e0cb3500d33497915b53 [1,1,0,0,0,0|0,1,1]=4 5376 B11R0.3 C=CCCCCCCOCC#N c3c58094343fd6b76f0eaa5a3223feb6 [1,1,0,0,0,0|1,0,1]=4 5377 B11R0.3 C=CCCCCCCOCC=C f2a995c2a28ed1cfc5833967cab3bf67 [1,1,0,0,0,0|1,0,0]=3 5378 B11R0.3 C=CCCCCCCOCC=O 95a6faf93a2a1e9e5b0e9707cc2419c6 [1,1,0,0,0,0|0,0,0]=2 5379 B11R0.3 C=CCCCCCCOCCC af0fc2056d78c68262c9655cb905d458 [1,1,0,0,0,0|1,0,1]=4 5380 B11R0.3 C=CCCCCCCOCCF 5961db8943a81edbbd0ef67a0dbc9cd0 [1,1,0,0,0,0|1,0,1]=4 5381 B11R0.3 C=CCCCCCCOCCS c6d9ee1d3908efa0a8693a557ea93275 [1,1,0,0,0,0|0,1,1]=4 5382 B11R0.3 C=CCCCCCCOCOC 4bb0e749ca5cca8dfa5b022fe5af6c34 [1,1,0,0,0,0|1,0,1]=4 5383 B11R0.3 C=CCCCCCCOCSC 0749bb539c45c5c1e49b51b6151473c0 [1,1,0,0,0,0|2,0,0]=4 5384 B11R0.3 C=CCCCCCNC/C=C/C 86d7d05a8c6e1b372dfb46edbcde0e8f [1,1,0,0,0,0|1,0,1]=4 5385 B11R0.3 C=CCCCCCNC/C=C/Cl aeaafe71fdd293154d8b0a614e3148cc [1,1,0,0,0,0|1,0,1]=4 5386 B11R0.3 C=CCCCCCNC/C=C\C 3d75f8ebb13f9df77f05338293760f0a [1,1,0,0,0,0|1,0,1]=4 5387 B11R0.3 C=CCCCCCNC/C=C\Cl a028cfc824ea8695d7a9a971e6f1fc1a [1,1,0,0,0,0|1,0,1]=4 5388 B11R0.3 C=CCCCCCNC/C=C\O cf40c938ec5d478afc09346f8cb65bfd [1,1,0,0,0,0|0,0,1]=3 5389 B11R0.3 C=CCCCCCNCC=CC 28ba02f43d4b62b2988943a1d865c38c [1,1,0,0,0,0|1,0,1]=4 5390 B11R0.3 C=CCCCCCNCCC#N 779ce933440a74396ed165acbbedc8bd [1,1,0,0,0,0|1,0,1]=4 5391 B11R0.3 C=CCCCCCNCCC=C fa8d5b042b97a2bbbb210e47db3308d9 [1,1,0,0,0,0|1,0,0]=3 5392 B11R0.3 C=CCCCCCNCCC=O 1e409b9944f6189c10735b36f975897c [1,1,0,0,0,0|0,0,0]=2 5393 B11R0.3 C=CCCCCCNCCCC 009368897ac39b99fc20760d8f7a7a77 [1,1,0,0,0,0|1,0,1]=4 5394 B11R0.3 C=CCCCCCNCCCCl 09dfe18013515b26584005f3a021a915 [1,1,0,0,0,0|1,0,1]=4 5395 B11R0.3 C=CCCCCCNCCCF 1ae72dd4ccda3fa7c24820119c92ce2a [1,1,0,0,0,0|1,0,1]=4 5396 B11R0.3 C=CCCCCCNCCCO 96e9a84a1f13802799f12ff9218c17fe [1,1,0,0,0,0|0,0,1]=3 5397 B11R0.3 C=CCCCCCNCCCS b2aa653c074a7ed9b40f15aebf4e6a0f [1,1,0,0,0,0|0,1,1]=4 5398 B11R0.3 C=CCCCCCNCCOC b39b20556e9ace5e00358650f9657ead [1,1,0,0,0,0|1,0,1]=4 5399 B11R0.3 C=CCCCCCNCCON 987c8b4501bb193f5cb8737fbf4c305a [1,1,0,0,0,0|1,0,1]=4 5400 B11R0.3 C=CCCCCCNCCSC 03250f27acb49100a7d183a633179854 [1,1,0,0,0,0|2,0,0]=4 5401 B11R0.3 C=CCCCCCOC/C=C/C 93c07bc1462fb88f727be746252ec57d [1,1,0,0,0,0|1,0,1]=4 5402 B11R0.3 C=CCCCCCOC/C=C/Cl 4ec5f9f78b15f2d078cee410790b72fb [1,1,0,0,0,0|1,0,1]=4 5403 B11R0.3 C=CCCCCCOC/C=C\C c5cd5f075580d0a4da2bffe86cc06a8f [1,1,0,0,0,0|1,0,1]=4 5404 B11R0.3 C=CCCCCCOC/C=C\Cl eae4900a92c938433f7c0e6a9c9d36f8 [1,1,0,0,0,0|1,0,1]=4 5405 B11R0.3 C=CCCCCCOCC=CC 7373ace1643cc5d6ca76832e7efee507 [1,1,0,0,0,0|1,0,1]=4 5406 B11R0.3 C=CCCCCCOCC=CCl 054db196910fa926123e5dc46981c84a [1,1,0,0,0,0|1,0,1]=4 5407 B11R0.3 C=CCCCCCOCCC#N d9ae0ec0ffacf89447a2ffc2191351fe [1,1,0,0,0,0|1,0,1]=4 5408 B11R0.3 C=CCCCCCOCCC=C adc26bca1d798a19f5d4e07147099fbb [1,1,0,0,0,0|1,0,0]=3 5409 B11R0.3 C=CCCCCCOCCC=O 87264142ebb2ce7fb13e032ce4b50092 [1,1,0,0,0,0|0,0,0]=2 5410 B11R0.3 C=CCCCCCOCCCC 580bca9ccc39bf087cb9fbf52b121e2d [1,1,0,0,0,0|1,0,1]=4 5411 B11R0.3 C=CCCCCCOCCCF 24a46a32f89a0fe4b574efb8fafecc42 [1,1,0,0,0,0|1,0,1]=4 5412 B11R0.3 C=CCCCCCOCCCS a15cb655e05011a26384140c45b6310d [1,1,0,0,0,0|0,1,1]=4 5413 B11R0.3 C=CCCCCCOCCOC ea4963199fea63ca489aa0221e3da1f5 [1,1,0,0,0,0|1,0,1]=4 5414 B11R0.3 C=CCCCCCOCCSC 9a2db9941cc688895fa25ccaeb85d81c [1,1,0,0,0,0|2,0,0]=4 5415 B11R0.3 C=CCCCCNCCCC#N 45afe60f73b511e80943e00865353dd7 [1,1,0,0,0,0|1,0,1]=4 5416 B11R0.3 C=CCCCCNCCCC=C 9cef8b2ab77dc8751e30ec57ef4ef698 [1,1,0,0,0,0|1,0,0]=3 5417 B11R0.3 C=CCCCCNCCCC=O 42acc17f97f6a3bdebd9fcb4df16c2e3 [1,1,0,0,0,0|0,0,0]=2 5418 B11R0.3 C=CCCCCNCCCCC c38c9382edb4f72ed2fe2f11cb49092f [1,1,0,0,0,0|1,0,1]=4 5419 B11R0.3 C=CCCCCNCCCCCl bf6c2281c4073566b29818bf3b7b16fe [1,1,0,0,0,0|1,0,1]=4 5420 B11R0.3 C=CCCCCNCCCCF 9a88c2fa76a36a9846c8dd2998158365 [1,1,0,0,0,0|1,0,1]=4 5421 B11R0.3 C=CCCCCNCCCCO 5dd011111637e0f5e3ce1284d3335035 [1,1,0,0,0,0|0,0,1]=3 5422 B11R0.3 C=CCCCCNCCCCS 077daa8b08b43995d649c9690315a327 [1,1,0,0,0,0|0,1,1]=4 5423 B11R0.3 C=CCCCCNCCCOC a13100beab3a0718d419d0d3a9811bb3 [1,1,0,0,0,0|1,0,1]=4 5424 B11R0.3 C=CCCCCNCCCSC c38b1574aa1e858b83fa8c2f072a342a [1,1,0,0,0,0|2,0,0]=4 5425 B11R0.3 C=CCCCCNCCOC=C 773c189853fe1a59836f1d2e8a47ffa9 [1,1,0,0,0,0|2,0,0]=4 5426 B11R0.3 C=CCCCCOC/C=C/C=O 2954d16b640da8b666f4404cb8cc141a [1,1,0,0,0,0|0,0,2]=4 5427 B11R0.3 C=CCCCCOCC/C=C/C 2e186128ba33da1087ce5d8a3d8338c5 [1,1,0,0,0,0|1,0,1]=4 5428 B11R0.3 C=CCCCCOCCCC#N 1f0d6c96e0ecaf20d4c38a084255ebfd [1,1,0,0,0,0|1,0,1]=4 5429 B11R0.3 C=CCCCCOCCCC=C e07013a8feb474cafd2963351f790de5 [1,1,0,0,0,0|1,0,0]=3 5430 B11R0.3 C=CCCCCOCCCC=O 8bc1c5bae0b5e4e93d2bd2125d67bc10 [1,1,0,0,0,0|0,0,0]=2 5431 B11R0.3 C=CCCCCOCCCCC 8b612cdb52ccc179804553965ee56419 [1,1,0,0,0,0|1,0,1]=4 5432 B11R0.3 C=CCCCCOCCCCF 30fa2ea128edfb6a84457832f1bc2512 [1,1,0,0,0,0|1,0,1]=4 5433 B11R0.3 C=CCCCCOCCCCS 3ea3211ba2364761ad6e77f40ae623dc [1,1,0,0,0,0|0,1,1]=4 5434 B11R0.3 C=CCCCCOCCCOC 96a3354e2cac9e46ea9ff19d896f2eb7 [1,1,0,0,0,0|1,0,1]=4 5435 B11R0.3 C=CCCCCOCCCSC 39892027f6b2ef9601ae41bdedcff3a8 [1,1,0,0,0,0|2,0,0]=4 5436 B11R0.3 C=CCCCCOCCNC=O cda4ac195472fdf90bf4098d00f6686b [1,1,0,0,0,0|1,0,0]=3 5437 B11R0.3 C=CCCCCOCCOC=C debd93f0bd2315d047a873f5fc24bdd5 [1,1,0,0,0,0|2,0,0]=4 5438 B11R0.3 C=CCCCCOCCOC=O 71488cc5c489c74e91a6bfd95219590c [1,1,0,0,0,0|1,0,0]=3 5439 B11R0.3 C=CCCCNCCC/C=C\C f524d63c950ab83ee0bab2d7082894ef [1,1,0,0,0,0|1,0,1]=4 5440 B11R0.3 C=CCCCNCCCCC#N 29f1e2482cb86dad2f726a0fd3d8229c [1,1,0,0,0,0|1,0,1]=4 5441 B11R0.3 C=CCCCNCCCCC=O b4f04e9d901316e1799a182353a580e5 [1,1,0,0,0,0|0,0,0]=2 5442 B11R0.3 C=CCCCNCCCCCC 76af61b3540584ce9d68dfdb439ae738 [1,1,0,0,0,0|1,0,1]=4 5443 B11R0.3 C=CCCCNCCCCCCl b2beaea8e1665101cedf5b03ce0a3135 [1,1,0,0,0,0|1,0,1]=4 5444 B11R0.3 C=CCCCNCCCCCF 70be3f1548118068c06efe6b86499984 [1,1,0,0,0,0|1,0,1]=4 5445 B11R0.3 C=CCCCNCCCCCO ed7a1c0d1a7ad4c234f4ec30bd6073b5 [1,1,0,0,0,0|0,0,1]=3 5446 B11R0.3 C=CCCCNCCCCOC 13ae4ee90bfd22e14ee349fe84b44633 [1,1,0,0,0,0|1,0,1]=4 5447 B11R0.3 C=CCCCNCCCCON 3ac503eb596efe0d2eb974150fa3a755 [1,1,0,0,0,0|1,0,1]=4 5448 B11R0.3 C=CCCCNCCCCSC 53dde2f1dca9d54dad98c0320daaf970 [1,1,0,0,0,0|2,0,0]=4 5449 B11R0.3 C=CCCCNCCCOC=C 0af10c1b13f38594e54466d800cd2974 [1,1,0,0,0,0|2,0,0]=4 5450 B11R0.3 C=CCCCNCCOCC=C a399683f5ff9200b80f50ba82157b839 [1,1,0,0,0,0|2,0,0]=4 5451 B11R0.3 C=CCCCNCCOCC=O 07e90b91052dac92ae840264ac749c9b [1,1,0,0,0,0|1,0,0]=3 5452 B11R0.3 C=CCCCNCCOCCO 6fe3ea703bff0b60b0c7111be2d29918 [1,1,0,0,0,0|1,0,1]=4 5453 B11R0.3 C=CCCCNCCSCCO 17ac5fbcff651a6f8e7c3ecd22e6afee [1,1,0,0,0,0|1,0,1]=4 5454 B11R0.3 C=CCCCOCCC/C=C/C 040b819fba93e1adbd966e99e50373f1 [1,1,0,0,0,0|1,0,1]=4 5455 B11R0.3 C=CCCCOCCC/C=C\C 79e0b3c6e26e8df4b65bd460e0bc9b0d [1,1,0,0,0,0|1,0,1]=4 5456 B11R0.3 C=CCCCOCCCC=CC dd8035c7aa145cd01c8008cd3c2b0621 [1,1,0,0,0,0|1,0,1]=4 5457 B11R0.3 C=CCCCOCCCCC#N 836edce9c78f318e58da12c9682ba8a5 [1,1,0,0,0,0|1,0,1]=4 5458 B11R0.3 C=CCCCOCCCCC=O 3cfc81eb47355d9e2f69b6bc64854e18 [1,1,0,0,0,0|0,0,0]=2 5459 B11R0.3 C=CCCCOCCCCCC 7b128642b816d84d36be162dfb6b66f7 [1,1,0,0,0,0|1,0,1]=4 5460 B11R0.3 C=CCCCOCCCCCF ed617faee53e0d6da0f041b207555b13 [1,1,0,0,0,0|1,0,1]=4 5461 B11R0.3 C=CCCCOCCCCOC 81cdfcbd233ace056bb1a6e74584759b [1,1,0,0,0,0|1,0,1]=4 5462 B11R0.3 C=CCCCOCCCCSC ec38d71477d31728526e4a52731e2b89 [1,1,0,0,0,0|2,0,0]=4 5463 B11R0.3 C=CCCCOCCOCC=C 49ff577742b0dc0c2897d2db2e9ab6c0 [1,1,0,0,0,0|2,0,0]=4 5464 B11R0.3 C=CCCCOCCOCC=O e27bdf8f73898427e041f14762667d90 [1,1,0,0,0,0|1,0,0]=3 5465 B11R0.3 C=CCCNCCCCCC#N 98bb6e6ba24b6a207c68eb1d22c5ce76 [1,1,0,0,0,0|1,0,1]=4 5466 B11R0.3 C=CCCNCCCCCC=O ab5041ad18d920e22f404fe453f4d71e [1,1,0,0,0,0|0,0,0]=2 5467 B11R0.3 C=CCCNCCCCCCC ce62f32ebc0ff4d7c79abb8227eba886 [1,1,0,0,0,0|1,0,1]=4 5468 B11R0.3 C=CCCNCCCCCCCl c5391ff4e8b2661a4d15d0d9d68f0ea2 [1,1,0,0,0,0|1,0,1]=4 5469 B11R0.3 C=CCCNCCCCCCF 96608bc5b0b1991b887290fb940a1233 [1,1,0,0,0,0|1,0,1]=4 5470 B11R0.3 C=CCCNCCCCCCO eac0a933f6408e6c89b8d8d5b327ef77 [1,1,0,0,0,0|0,0,1]=3 5471 B11R0.3 C=CCCNCCCCCOC e94e2a0d0568da90af7515b6bfeb3db5 [1,1,0,0,0,0|1,0,1]=4 5472 B11R0.3 C=CCCNCCCOCCO 79006bef05cd16064d63328bba897664 [1,1,0,0,0,0|1,0,1]=4 5473 B11R0.3 C=CCCNCCOCCCO 9a638fdd576d8f95966d7cb8857b2a45 [1,1,0,0,0,0|1,0,1]=4 5474 B11R0.3 C=CCCOCCCCCC#N 05377c5af40aae0e7aebf672e6f283ad [1,1,0,0,0,0|1,0,1]=4 5475 B11R0.3 C=CCCOCCCCCC=O 416d3ad007ca1f20172aed4c5d0c5b0f [1,1,0,0,0,0|0,0,0]=2 5476 B11R0.3 C=CCCOCCCCCCC 8d06e26ebbdf8e7dffb8f7a6170401d7 [1,1,0,0,0,0|1,0,1]=4 5477 B11R0.3 C=CCCOCCCCCCF 034f47757fc3057a19b106b427d77de4 [1,1,0,0,0,0|1,0,1]=4 5478 B11R0.3 C=CCCOCCCCCCS a14bbc3920754f3bae6049e5fbd834a0 [1,1,0,0,0,0|0,1,1]=4 5479 B11R0.3 C=CCCOCCCCCOC eb6189d8bd262f7d4c84b16322d40630 [1,1,0,0,0,0|1,0,1]=4 5480 B11R0.3 C=CCCOCCCCOC=C 7d317358ed6dd4ee962b375be587dfc6 [1,1,0,0,0,0|2,0,0]=4 5481 B11R0.3 C=CCNCCCCCCCC bfc9a2fcdb2e10a56b8cbe225faaa255 [1,1,0,0,0,0|1,0,1]=4 5482 B11R0.3 C=CCNCCCCCCCO b42362915ec5348648478b7195305a17 [1,1,0,0,0,0|0,0,1]=3 5483 B11R0.3 C=CCNCCCCSCCO 66745d62b60b0325d29b2d9bd6acf520 [1,1,0,0,0,0|1,0,1]=4 5484 B11R0.3 C=CCNCCCOCCCO 735e8eb2f7ccf42c28893ac5047fd6c7 [1,1,0,0,0,0|1,0,1]=4 5485 B11R0.3 C=CCOCCCCCCCC 49a99e47fdc5a48a8387d42d9cb8bfc1 [1,1,0,0,0,0|1,0,1]=4 5486 B11R0.3 C=CCOCCCCCCOC 01d8c9b2a51c7c1f840d8ed2e9a6d6b3 [1,1,0,0,0,0|1,0,1]=4 5487 B11R0.3 C=CCOCCNCCCCO f080a11c20bc048df0b2c4c99ae5ce66 [1,1,0,0,0,0|1,0,1]=4 5488 B11R0.3 C=CCOCCOCCCC=O 99a21dd0666ad5b30e1d44882e8f8a99 [1,1,0,0,0,0|1,0,0]=3 5489 B11R0.3 C=CCOCCOCCNC=O 61e12f65529b221c959eac1504a9ca4c [1,1,0,0,0,0|2,0,0]=4 5490 B11R0.3 C=CCOCCOCCOC=O 89fc1e5cf3c107ab785724d12e2e2733 [1,1,0,0,0,0|2,0,0]=4 5491 B11R0.3 C=COCCCCOCCC=O 79851175ed72d9659f3bd377e9176893 [1,1,0,0,0,0|1,0,0]=3 5492 B11R0.3 C=COCCCNCCCC=O 0b8d184d7e8cc6e77d1d6b910496f0b6 [1,1,0,0,0,0|1,0,0]=3 5493 B11R0.3 C=COCCCNCCCCO 1b45c96bfd377d804b5dc21da3f854f8 [1,1,0,0,0,0|1,0,1]=4 5494 B11R0.3 C=COCCNCCCCC=O ad172a3ea531b2f59a60f99c9ebba4d2 [1,1,0,0,0,0|1,0,0]=3 5495 B11R0.3 C=COCCNCCCCCO d12244fdd96383a9b13ae2841330887f [1,1,0,0,0,0|1,0,1]=4 5496 B11R0.3 C=COCCNCCOCC=O 7eeb96f7fa342d1568591ba9c7eae05d [1,1,0,0,0,0|2,0,0]=4 5497 B11R0.3 C=COCCOCCCCC=O b7c9f78af258fa679a8f64b54ac5d6c9 [1,1,0,0,0,0|1,0,0]=3 5498 B11R0.3 C=COCCOCCOCC=O 93106b939995a2b4301c4e2eb4fc4393 [1,1,0,0,0,0|2,0,0]=4 5499 B11R0.3 CC=CCCCOCCCC=O de5095d65c7ef50436cd82d28dece0dc [1,1,0,0,0,0|1,0,0]=3 5500 B11R0.3 CC=CCNCCCCCC=O d5b11777982cc0778e5c44030b28be26 [1,1,0,0,0,0|1,0,0]=3 5501 B11R0.3 CC=CCNCCCCCCO b6c163168cc55e521125c84438b2a121 [1,1,0,0,0,0|1,0,1]=4 5502 B11R0.3 CC=CCOCCCCCC=O 593c902611cc57a64bfe84343d2aa1d0 [1,1,0,0,0,0|1,0,0]=3 5503 B11R0.3 CCCCCCCCCNC=O 450ec7c17222bfa50b1bec9a4e76d3ac [1,1,0,0,0,0|0,0,2]=4 5504 B11R0.3 CCCCCCCCNCC=O d9ced648acece07efb5d33c320d8dadf [1,1,0,0,0,0|0,0,2]=4 5505 B11R0.3 CCCCCCCCOCC=O 4b7128d965398d7a6aa7d6d1f071599b [1,1,0,0,0,0|0,0,2]=4 5506 B11R0.3 CCCCCCCNCCC=O 89a048b0cb7fedfdc94b7b98d38db122 [1,1,0,0,0,0|0,0,2]=4 5507 B11R0.3 CCCCCCCOCCC=O 5cfef64155cbae6dbc467da4dd4c8b26 [1,1,0,0,0,0|0,0,2]=4 5508 B11R0.3 CCCCCCNCCCC=O 30f6c36223cd033769b129f975d8cef5 [1,1,0,0,0,0|0,0,2]=4 5509 B11R0.3 CCCCCCOCCCC=O 30a74e5ed2ff3a69b75905a761317e27 [1,1,0,0,0,0|0,0,2]=4 5510 B11R0.3 CCCCCNCCCCC=O ea129e49922b9d9682c373f7b912d205 [1,1,0,0,0,0|0,0,2]=4 5511 B11R0.3 CCCCCOCCCCC=O be490e978aa800d48e6bb71673802e8a [1,1,0,0,0,0|0,0,2]=4 5512 B11R0.3 CCCCNCCCCCC=O 80098dd3accdff0dd2fb7e04b95bf055 [1,1,0,0,0,0|0,0,2]=4 5513 B11R0.3 CCCCOCCCCCC=O ab5f42922e3122d7a63b27a5b77b4744 [1,1,0,0,0,0|0,0,2]=4 5514 B11R0.3 CCCNCCCCCCC=O c21851ba291c00a5db0d5d6b91dbd36c [1,1,0,0,0,0|0,0,2]=4 5515 B11R0.3 CCCOCCCCCCC=O 94f0c4ecacac557229497fd5ef55ea31 [1,1,0,0,0,0|0,0,2]=4 5516 B11R0.3 COCCCCCCOCC=O 6689b83a6bb00c92a664ac452ab13f7a [1,1,0,0,0,0|1,0,1]=4 5517 B11R0.3 COCCCCCNCCC=O 7b1ac4ef6bf90be8e7c92724c282245b [1,1,0,0,0,0|1,0,1]=4 5518 B11R0.3 COCCCCCOCCC=O 55b7aa6cebf6bec34fde917474854c4d [1,1,0,0,0,0|1,0,1]=4 5519 B11R0.3 COCCCCNCCCC=O d859ac0edcc667b121095a8ec34e067d [1,1,0,0,0,0|1,0,1]=4 5520 B11R0.3 COCCCCOCCCC=O 77330a6541aca855a46d47f98c624a43 [1,1,0,0,0,0|1,0,1]=4 5521 B11R0.3 COCCCNCCCCC=O 81cf7ebb0e52a45398aa8f5f9d073f71 [1,1,0,0,0,0|1,0,1]=4 5522 B11R0.3 COCCCOCCCCC=O 5baf2feaf7c5139b7ea421124506a9ad [1,1,0,0,0,0|1,0,1]=4 5523 B11R0.3 COCCNCCCCCC=O 4718591fcf4c8cd8ba40c217df9d2b78 [1,1,0,0,0,0|1,0,1]=4 5524 B11R0.3 COCCOCCCCCC=O 4bf690e24050b203739dd4162a417caf [1,1,0,0,0,0|1,0,1]=4 5525 B11R0.3 COCOCCCCCCC=O 1cc14ca5b0a66c0ba1b857ca65174c19 [1,1,0,0,0,0|1,0,1]=4 5526 B11R0.3 CSCCCCNCCCC=O 5666e8b7c1cbb2d1400d9d1c2ee654b7 [1,1,0,0,0,0|1,0,1]=4 5527 B11R0.3 CSCCCCOCCCC=O 77199afd75665a4901237ae51325b33a [1,1,0,0,0,0|1,0,1]=4 5528 B11R0.3 CSCCCNCCCCC=O e8e5757c4d12c9770d382320b10a17e8 [1,1,0,0,0,0|1,0,1]=4 5529 B11R0.3 CSCCCOCCCCC=O ee77859902189d8481479d30cef355e3 [1,1,0,0,0,0|1,0,1]=4 5530 B11R0.3 CSCCNCCCCCC=O b0f190127f090cf2798133da24b2523a [1,1,0,0,0,0|1,0,1]=4 5531 B11R0.3 CSCCOCCCCCC=O f741ac44c314c228d430b7bd26f41fb4 [1,1,0,0,0,0|1,0,1]=4 5532 B11R0.3 N#CCCCCCNCCC=O 01a7fa4cd3ed2af3b51471cff889cec6 [1,1,0,0,0,0|1,0,1]=4 5533 B11R0.3 N#CCCCCCOCCC=O ef2a0b336dc9be22063bcc4ea9084078 [1,1,0,0,0,0|1,0,1]=4 5534 B11R0.3 N#CCCCCNCCCC=O d1f37c5386eb834459a11e4540086ec4 [1,1,0,0,0,0|1,0,1]=4 5535 B11R0.3 N#CCCCCOCCCC=O d4f73cc2dbb6afd269cea0a934178480 [1,1,0,0,0,0|1,0,1]=4 5536 B11R0.3 N#CCCCNCCCCC=O 4bd6721dc9fd676f40faae69d54e2ef2 [1,1,0,0,0,0|1,0,1]=4 5537 B11R0.3 N#CCCCOCCCCC=O 9d3c16560011f992b81471ccb5620e49 [1,1,0,0,0,0|1,0,1]=4 5538 B11R0.3 N#CCCNCCCCCC=O 96098f5b6d910eaa01478159bf66a985 [1,1,0,0,0,0|1,0,1]=4 5539 B11R0.3 N#CCCOCCCCCC=O 4993dc2c69fc797a214a96dc1fc0cdad [1,1,0,0,0,0|1,0,1]=4 5540 B11R0.3 N#CCNCCCCCCC=O 151457bd6c0e2bcb3e13c405bbd3b2ca [1,1,0,0,0,0|1,0,1]=4 5541 B11R0.3 N#CCOCCCCCCC=O 7d8bd56db1379be8aade468b8f7ae9dc [1,1,0,0,0,0|1,0,1]=4 5542 B11R0.3 NOCCNCCCCCC=O 7770943fbbc8a0ffe5dfe7272bca2dbb [1,1,0,0,0,0|2,0,0]=4 5543 B11R0.3 O/C=C\CNCCCCCCO e22278558a26781b0a28cfb685e5339a [1,1,0,0,0,0|1,0,1]=4 5544 B11R0.3 O=C/C=C/COCCCCC=O e6f165ab7ff470c17fc93d6e8fb72147 [1,1,0,0,0,0|1,0,1]=4 5545 B11R0.3 O=CCCCCCCNCCBr c7968203f406802b342bdb3df5c99e6a [1,1,0,0,0,0|1,0,1]=4 5546 B11R0.3 O=CCCCCCCNCCF 1898954ac8b278d99174714d6bad1fd2 [1,1,0,0,0,0|1,0,1]=4 5547 B11R0.3 O=CCCCCCCNCCI 98f37d481faed8a3d02fd488da9fdc96 [1,1,0,0,0,0|1,0,1]=4 5548 B11R0.3 O=CCCCCCCNCCO 4563f4506bdfa0337439838ef55d1213 [1,1,0,0,0,0|1,0,1]=4 5549 B11R0.3 O=CCCCCCCNCCS 555114ffa65ad68fb327b013b4b0042b [1,1,0,0,0,0|1,0,1]=4 5550 B11R0.3 O=CCCCCCCOCCF 18e788875d79f59913355d20c32a574e [1,1,0,0,0,0|1,0,1]=4 5551 B11R0.3 O=CCCCCCCOCCS 5981a0fea636e45940519daa52113065 [1,1,0,0,0,0|1,0,1]=4 5552 B11R0.3 O=CCCCCCNCCCCl fd71525cd608d0265dba4f5d691165ab [1,1,0,0,0,0|1,0,1]=4 5553 B11R0.3 O=CCCCCCNCCCO e8f48db490ac35989365ee24a0ce8127 [1,1,0,0,0,0|1,0,1]=4 5554 B11R0.3 O=CCCCCCOC/C=C/Cl e795b69403cc5f55e34cd3581917a0a7 [1,1,0,0,0,0|1,0,0]=3 5555 B11R0.3 O=CCCCCCOCC=CCl df1028709b93f1b66aa8f3118cbbe1b0 [1,1,0,0,0,0|1,0,0]=3 5556 B11R0.3 O=CCCCCCOCCC=O 841355cf505d11860e808a628e661a33 [1,1,0,0,0,0|1,0,0]=3 5557 B11R0.3 O=CCCCCCOCCCF 8aee16e47cf50fb440fa950b21ce39df [1,1,0,0,0,0|1,0,1]=4 5558 B11R0.3 O=CCCCCCOCCCS 8275620ce624adb0eead055700dcd6ac [1,1,0,0,0,0|1,0,1]=4 5559 B11R0.3 O=CCCCCNCCCCCl dcc4fe22f95b5e37f1f189301e54c790 [1,1,0,0,0,0|1,0,1]=4 5560 B11R0.3 O=CCCCCNCCCCO d03a813a710533d213d33230de522737 [1,1,0,0,0,0|1,0,1]=4 5561 B11R0.3 O=CCCCCNCCCCS 9ff220cd913c7d37aca52c99cfd1f14e [1,1,0,0,0,0|1,0,1]=4 5562 B11R0.3 O=CCCCCOCCCC=O 0f4ede3200b05f9a0b13b774542c443a [1,1,0,0,0,0|1,0,0]=3 5563 B11R0.3 O=CCCCCOCCCCF a40404b0829e05e1cad9f123f1d50528 [1,1,0,0,0,0|1,0,1]=4 5564 B11R0.3 O=CCCCCOCCCCS cb6b0058832acd9dd4546438e09c6cfc [1,1,0,0,0,0|1,0,1]=4 5565 B11R0.3 O=CCCCCOCCNC=O 40cce390c550d74b4de858ec16584fd7 [1,1,0,0,0,0|2,0,0]=4 5566 B11R0.3 O=CCCCCOCCOC=O c088744c6c41006381e1c5c23a7cc89b [1,1,0,0,0,0|2,0,0]=4 5567 B11R0.3 O=CCCCNCCCCCCl 86565134165a65c6f6f37a9962245a94 [1,1,0,0,0,0|1,0,1]=4 5568 B11R0.3 O=CCCCNCCCCCO 0241d2422a23be3107c4c8915a44c5bf [1,1,0,0,0,0|1,0,1]=4 5569 B11R0.3 O=CCCCOCCCCCF 312e14ae215ba24184b9e1cfac4bdf49 [1,1,0,0,0,0|1,0,1]=4 5570 B11R0.3 O=CCCCOCCOCC=O 79ca3f2cab6f3933ae58de8f4869456b [1,1,0,0,0,0|2,0,0]=4 5571 B11R0.3 O=CCCNCCCCCCCl faf688527cbdc36cac79fe6ccda89c31 [1,1,0,0,0,0|1,0,1]=4 5572 B11R0.3 O=CCCNCCCCCCO 114ae78e85061f9b979d8a595a972955 [1,1,0,0,0,0|1,0,1]=4 5573 B11R0.3 O=CCCOCCCCCCF 12608a84ec7419baec96fc9b9fe54aba [1,1,0,0,0,0|1,0,1]=4 5574 B11R0.3 O=CCCOCCCCCCS 65bf01bd887cf10c15d3e74f1e91b329 [1,1,0,0,0,0|1,0,1]=4 5575 B11R0.3 O=CCNCCCCCCCO 584c0678248808764029f11ce9b0f73a [1,1,0,0,0,0|1,0,1]=4 5576 B11R0.3 O=CNCCCCCCCCO ade378c7a1493dc87ce2ee94a0465e75 [1,1,0,0,0,0|1,0,1]=4 5577 B11R0.3 OCCCCCCNC/C=C/Cl 334f55928b541d36f7ef55830574b414 [1,1,0,0,0,0|1,0,1]=4 5578 B11R0.3 OCCCCCCNC/C=C\Cl eab4402e28a75d2a0dd178c341107d69 [1,1,0,0,0,0|1,0,1]=4 5579 B11R0.4 C=CCC(C)CNCCCCO e2fec2b32d30430625526c5706e086fa [1,1,0,0,0,0|1,0,1]=4 5580 B11R0.4 C=CCC(C)COCCCC=O 86273dcc0d1cbef28e03f931f8e3f986 [1,1,0,0,0,0|1,0,0]=3 5581 B11R0.4 C=CCC(C)COCCNC=O 229c101e17cbde50c1173a660f852852 [1,1,0,0,0,0|2,0,0]=4 5582 B11R0.4 C=CCC(C)COCCOC=O 3fd621c4dcf46e6ce4a5437ea611e6c7 [1,1,0,0,0,0|2,0,0]=4 5583 B11R0.4 C=CCC(C)OCCCCC=O a85030df13ae585a47e19aeaf834887a [1,1,0,0,0,0|1,0,0]=3 5584 B11R0.4 C=CCC(C)OCCOCC=O c666a0af191a4e5f3d1aad7bbc2b14d2 [1,1,0,0,0,0|2,0,0]=4 5585 B11R0.4 C=CCC(O)CNCCCC=O 950675210600901504239a81e1450f6d [1,1,0,0,0,0|1,0,0]=3 5586 B11R0.4 C=CCC(O)CNCCCCO 841e6ce7e5f0671c668bb3a9efb57cc4 [1,1,0,0,0,0|1,0,1]=4 5587 B11R0.4 C=CCCCCCN(C)CC=C 29b99b9248a80befd5832a7f7fb5ad36 [1,1,0,0,0,0|2,0,0]=4 5588 B11R0.4 C=CCCCCCN(C)CC=O 15adb8c5854e0647a26a6d9d035f3351 [1,1,0,0,0,0|1,0,0]=3 5589 B11R0.4 C=CCCCCCN(C)CCO d1cf8fe780cc2bc62e83b8f729a086ce [1,1,0,0,0,0|1,0,1]=4 5590 B11R0.4 C=CCCCCNC(=O)CC=O 96ac41f4c157f72ed8f8ad457b4987a5 [1,1,0,0,0,0|1,0,1]=4 5591 B11R0.4 C=CCCCCNC(C)CCO 0b9e4c3023b655bc89781a26e810f1f5 [1,1,0,0,0,0|1,0,1]=4 5592 B11R0.4 C=CCCCCN[C@@H](C)CCO 33dbe25a16d6c2f15eb2b9a1ba8654f8 [1,1,0,0,0,0|1,0,1]=4 5593 B11R0.4 C=CCCCCN[C@H](C)CCO b6ed3af8ea9dfae80724710301d8e40f [1,1,0,0,0,0|1,0,1]=4 5594 B11R0.4 C=CCCCCOC(C)CC=C 19e51f77f9663ff2a08fe5cb64be1894 [1,1,0,0,0,0|2,0,0]=4 5595 B11R0.4 C=CCCCCO[C@@H](C)CC=C 17e0626a2f9a12ecbf3a7f86c94b0617 [1,1,0,0,0,0|2,0,0]=4 5596 B11R0.4 C=CCCCCO[C@H](C)CC=C 81d50b224ee32594036548180ebe765c [1,1,0,0,0,0|2,0,0]=4 5597 B11R0.4 C=CCCCNCC(C)CC=C 50c3fe95ac3a2b74cc5c06440f0566f3 [1,1,0,0,0,0|2,0,0]=4 5598 B11R0.4 C=CCCCNCC(C)CCO c982c29a4454bfc419c14a0cc8ea33d1 [1,1,0,0,0,0|1,0,1]=4 5599 B11R0.4 C=CCCCNCC(O)CC=C 970e2120aaeeee23249e66d00ffd984d [1,1,0,0,0,0|2,0,0]=4 5600 B11R0.4 C=CCCCNC[C@@H](O)CCO cf2e807caaec56e80d23bd3928ad234b [1,1,0,0,0,0|1,0,1]=4 5601 B11R0.4 C=CCCCOCC(C)CC=C 96b8afba6cf3ae3c7e0c8c7ccb04d33d [1,1,0,0,0,0|2,0,0]=4 5602 B11R0.4 C=CCCCOC[C@@H](O)CCO 82261b6bfa7bbb025898e9ad4e60cac6 [1,1,0,0,0,0|1,0,1]=4 5603 B11R0.4 C=CCN(C)CCCCCC=O ef6a172582ef5642c8edc17655f6bd12 [1,1,0,0,0,0|1,0,0]=3 5604 B11R0.4 C=CCN(C)CCCCCCO b6944b41c89645608581e083cc91b01a [1,1,0,0,0,0|1,0,1]=4 5605 B11R0.4 C=CCN(C)CCOCCC=O ecc71518ac9838b662987e86e209c9e8 [1,1,0,0,0,0|2,0,0]=4 5606 B11R0.4 C=CC[C@@H](C)OCCCCC=O 141c3c17c70604a0668e2027ed399621 [1,1,0,0,0,0|1,0,0]=3 5607 B11R0.4 C=CC[C@@H](C)OCCOCC=O ba20fa75dfd6e1f3a7e511c411dd11b0 [1,1,0,0,0,0|2,0,0]=4 5608 B11R0.4 C=CC[C@H](C)OCCCCC=O f4967edbf4be84fe3dee3efb8a97e59a [1,1,0,0,0,0|1,0,0]=3 5609 B11R0.4 C=CC[C@H](C)OCCOCC=O f17b600a6c48777089196a5034a08223 [1,1,0,0,0,0|2,0,0]=4 5610 B11R0.81 C=CCCC(C)NCCCCO 64dafc1138332d74b7189009db0abb9b [1,1,0,0,0,0|1,0,1]=4 5611 B11R0.81 C=CCCC(C)OCCCC=O c11a0192edf2ab88bfb1a3b08af99a70 [1,1,0,0,0,0|1,0,0]=3 5612 B11R0.81 C=CCCC(C)OCCNC=O 2c84031c90f7f252991ed6d2392ae8a3 [1,1,0,0,0,0|2,0,0]=4 5613 B11R0.81 C=CCCC(C)OCCOC=O 6bf754ec535141e56c4951af2af98e00 [1,1,0,0,0,0|2,0,0]=4 5614 B11R0.81 C=CCCC(O)CNC/C=C\O f006c1294521601cb6f51dbc0232e900 [1,1,0,0,0,0|1,0,1]=4 5615 B11R0.81 C=CCCC(O)CNCCC=O 3e1eea7d29ae38b8ad222457f5530cea [1,1,0,0,0,0|1,0,0]=3 5616 B11R0.81 C=CCCC(O)CNCCCO 75ef93bfe42709e6e6203d7c73968939 [1,1,0,0,0,0|1,0,1]=4 5617 B11R0.81 C=CCCCCC(C)OCC=C 3a81d6b392a21d4f197b79d533af4958 [1,1,0,0,0,0|2,0,0]=4 5618 B11R0.81 C=CCCCCC(C)OCC=O 3ea11f7324b96c6a8f9c08d5798d067d [1,1,0,0,0,0|1,0,0]=3 5619 B11R0.81 C=CCCCCN(C)C/C=C\O 3238b4a3a07268f792293f3df05755de [1,1,0,0,0,0|1,0,1]=4 5620 B11R0.81 C=CCCCCN(C)CCC=C 434aec00b88332ce5c1830660e5e6030 [1,1,0,0,0,0|2,0,0]=4 5621 B11R0.81 C=CCCCCN(C)CCC=O cf7b9a683bc929961ff301def7308da0 [1,1,0,0,0,0|1,0,0]=3 5622 B11R0.81 C=CCCCCN(C)CCCO 6d8f806beac21e921bbbf856031c4966 [1,1,0,0,0,0|1,0,1]=4 5623 B11R0.81 C=CCCCC[C@@H](C)OCC=C 70bdfcdf8f374a09cd1066a600c62c4b [1,1,0,0,0,0|2,0,0]=4 5624 B11R0.81 C=CCCCC[C@@H](C)OCC=O 80002ace6db9b7e21bc9a02cc3a8891a [1,1,0,0,0,0|1,0,0]=3 5625 B11R0.81 C=CCCCNC(=O)CCC=O c86766d979e7a515fa9aa21e83340a1e [1,1,0,0,0,0|1,0,1]=4 5626 B11R0.81 C=CCCCNC(C)CCC=C 2f82fdd84a51469a68d527fde750e956 [1,1,0,0,0,0|2,0,0]=4 5627 B11R0.81 C=CCCCNC(C)CCCO fb96690bb92b81bf3906b6a54ab59de7 [1,1,0,0,0,0|1,0,1]=4 5628 B11R0.81 C=CCCCN[C@H](C)CCCO 9c4ee34aaa721825420c847ae923a31e [1,1,0,0,0,0|1,0,1]=4 5629 B11R0.81 C=CCCCOC(C)CCC=C 9a4763662ccda81a9420c65a8a977a12 [1,1,0,0,0,0|2,0,0]=4 5630 B11R0.81 C=CCCCO[C@H](C)CCC=C 42a9987a96455812a3d34abd30c89ea9 [1,1,0,0,0,0|2,0,0]=4 5631 B11R0.81 C=CCCN(C)CCCCC=O d1a004fa4d6a04ba9e1896fc38296ca5 [1,1,0,0,0,0|1,0,0]=3 5632 B11R0.81 C=CCCN(C)CCCCCO e6a3d283d276ec301402ac4fe8465a12 [1,1,0,0,0,0|1,0,1]=4 5633 B11R0.81 C=CCCN(C)CCOCC=O 9ae7d216d92c1e329f6f13ec331dd901 [1,1,0,0,0,0|2,0,0]=4 5634 B11R0.81 C=CCCNCC(O)CCC=C b99f4054685b901ecaaf6554caafae96 [1,1,0,0,0,0|2,0,0]=4 5635 B11R0.81 C=CCCNC[C@H](C)CCCO fdd3dd3ef91ac411fc0026e2aef2b02c [1,1,0,0,0,0|1,0,1]=4 5636 B11R0.81 C=CCCNC[C@H](O)CCC=C ab8bab3c3db3183e0ba9eecac3c34ddc [1,1,0,0,0,0|2,0,0]=4 5637 B11R0.81 C=CCC[C@@H](C)OCCCC=O 2ccab308e8c3af9acb03d40c7b5478ae [1,1,0,0,0,0|1,0,0]=3 5638 B11R0.81 C=CCC[C@@H](O)CNCCCO 0d66bb641ee96d269e5ae5b7917984d5 [1,1,0,0,0,0|1,0,1]=4 5639 B11R0.140 C=CCCCN(C)CCCC=C 5429123da29fcdfab860b82dab37bc05 [1,1,0,0,0,0|2,0,0]=4 5640 B11R0.140 C=CCCCN(C)CCCC=O d82d9debae4a354382b1bdbaa4b6c989 [1,1,0,0,0,0|1,0,0]=3 5641 B11R0.140 C=CCCCN(C)CCCCO ed190a50770c8800ff95890ca97f8469 [1,1,0,0,0,0|1,0,1]=4 5642 B11R0.140 C=CCCC[C@H](C)OCCC=C 2e766a67b1bd7277102f0e299920d47d [1,1,0,0,0,0|2,0,0]=4 5643 B11R0.140 C=CCCC[C@H](C)OCCC=O 6e96c757dd8d2cae3fb1de93af4cb5dd [1,1,0,0,0,0|1,0,0]=3 5644 B11R0.140 C=CCCNC(=O)CCCC=O dba504349451961ae902f6df0a2f94af [1,1,0,0,0,0|1,0,1]=4 5645 B11R0.140 C=CCCNC(C)CCCCO edf0e47fd24f635d5427f02fa538c561 [1,1,0,0,0,0|1,0,1]=4 5646 B13R0.62 C=CCCCCCN(CC)CC(=O)O f21fe68ac636cb507a861e635bf23145 [0,2,0,0,0,0|1,0,0]=3 5647 B13R0.62 C=CCCCCNC(CC)CC(=O)O e07bf5fbdd602c7bb08177e7a3634b76 [0,2,0,0,0,0|1,0,0]=3 5648 B13R0.62 C=CCCCCNC(CO)CC(=O)O 04b4bc98f10c4b448d0918de5a8178a8 [0,2,0,0,0,0|1,0,0]=3 5649 B13R0.62 C=CCCCCN[C@@H](CC)CC(=O)O 886531af223daa434045f1010ba69cb5 [0,2,0,0,0,0|1,0,0]=3 5650 B13R0.62 C=CCCCCN[C@@H](CO)CC(=O)O e6b47a62d199fea0863820fbeb0fef3e [0,2,0,0,0,0|1,0,0]=3 5651 B13R0.62 C=CCCCCN[C@H](CC)CC(=O)O 3c461e7fc69d9d3bf19f49170d0a4d43 [0,2,0,0,0,0|1,0,0]=3 5652 B13R0.62 C=CCCCCN[C@H](CO)CC(=O)O 108a2729ea72ac314687fcf02f29fbd5 [0,2,0,0,0,0|1,0,0]=3 5653 B13R0.62 C=CCCCCOC(CC)CC(=O)O 963adcfa31f80bcfc5e50c767b49491b [0,2,0,0,0,0|1,0,0]=3 5654 B13R0.62 C=CCCCCO[C@@H](CC)CC(=O)O 9cf62f306d885e0b7ad722bfb7efb024 [0,2,0,0,0,0|1,0,0]=3 5655 B13R0.62 C=CCCCCO[C@H](CC)CC(=O)O 8e061d1b32f9ee346fba977082b9d28d [0,2,0,0,0,0|1,0,0]=3 5656 B13R0.62 C=CCOCCNC(CC)CC(=O)O f1a705fd30df0301d9094da6b5bf7402 [0,2,0,0,0,0|2,0,0]=4 5657 B13R0.62 C=CCOCCNC(CO)CC(=O)O a1ee5b8cb34dd5082b9497eb8090f515 [0,2,0,0,0,0|2,0,0]=4 5658 B13R0.62 C=CCOCCN[C@@H](CC)CC(=O)O fb324f63798662eb568ca51d426c39c0 [0,2,0,0,0,0|2,0,0]=4 5659 B13R0.62 C=CCOCCN[C@@H](CO)CC(=O)O 1e2bc0afc605b58c0269dd0999837181 [0,2,0,0,0,0|2,0,0]=4 5660 B13R0.62 C=CCOCCN[C@H](CC)CC(=O)O f8c5b5f464c6553685c47eb133123304 [0,2,0,0,0,0|2,0,0]=4 5661 B13R0.62 C=CCOCCN[C@H](CO)CC(=O)O 313eb938ae213bb1d05f1674ec4b863a [0,2,0,0,0,0|2,0,0]=4 5662 B13R0.62 C=CCOCCOC(CC)CC(=O)O cd8c4f60a6c20e5e6c70c97e4283adfc [0,2,0,0,0,0|2,0,0]=4 5663 B13R0.62 C=CCOCCO[C@@H](CC)CC(=O)O ecdcb0fc89e6ee98254d2cf77d6ccd70 [0,2,0,0,0,0|2,0,0]=4 5664 B13R0.62 C=CCOCCO[C@H](CC)CC(=O)O 12aefb71bede5e8078b9e67cd7b13362 [0,2,0,0,0,0|2,0,0]=4 5665 B13R0.62 CCC(CC(=O)O)NCCCCC=O c9e170bf80505e94feb83391a3c7af34 [0,2,0,0,0,0|2,0,0]=4 5666 B13R0.62 CCC(CC(=O)O)OCCCCC=O 85cdae7908847326edb6d5fca820c6d0 [0,2,0,0,0,0|2,0,0]=4 5667 B13R0.62 CCN(CCCCCC=O)CC(=O)O 334f524c3acb83da457633af6e24ac42 [0,2,0,0,0,0|2,0,0]=4 5668 B13R0.62 CC[C@@H](CC(=O)O)NCCCCC=O 4db8f6e4b6fd0a7eb0803acc79fea7af [0,2,0,0,0,0|2,0,0]=4 5669 B13R0.62 CC[C@@H](CC(=O)O)OCCCCC=O e032564398f2f4fe15524b67e56210f6 [0,2,0,0,0,0|2,0,0]=4 5670 B13R0.62 CC[C@H](CC(=O)O)NCCCCC=O 65b921e12fe6aee73ace9dce1560ce91 [0,2,0,0,0,0|2,0,0]=4 5671 B13R0.62 CC[C@H](CC(=O)O)OCCCCC=O 6bfe6895412915533608f5b2a17321d8 [0,2,0,0,0,0|2,0,0]=4 5672 B13R0.62 O=CCCCCNC(CO)CC(=O)O 0e9d59e6e33e9fc4d40a8246a299c7d2 [0,2,0,0,0,0|2,0,0]=4 5673 B13R0.62 O=CCCCCN[C@@H](CO)CC(=O)O a1ef251142b7b139b9f2b37b0828709e [0,2,0,0,0,0|2,0,0]=4 5674 B13R0.62 O=CCCCCN[C@H](CO)CC(=O)O 2b4666095f750ddc87c8ead52760dd20 [0,2,0,0,0,0|2,0,0]=4 5675 B13R0.115 C=CCCC(C)NCC(O)CC(=O)O 2df55568de586f6ed84d67174cc86baf [0,2,0,0,0,0|1,0,0]=3 5676 B13R0.115 C=CCCC(C)NC[C@@H](O)CC(=O)O 67ebd701ae8bd4ebd1361f61dbeeb6ea [0,2,0,0,0,0|1,0,0]=3 5677 B13R0.115 C=CCCC(C)NC[C@H](O)CC(=O)O 85287c1fcdd86c93321b6e7a0aa8a699 [0,2,0,0,0,0|1,0,0]=3 5678 B13R0.115 C=CCCC(C)OCC(=O)CC(=O)O ef09e05de81ec1b0f5ac0e7f3e7d3663 [0,2,0,0,0,0|1,0,1]=4 5679 B13R0.115 C=CCCC(O)CNC(C)CC(=O)O f1ee934d331f7271914420ad69a4118b [0,2,0,0,0,0|1,0,0]=3 5680 B13R0.115 C=CCCN(C)CCC(C)CC(=O)O adcec56d510bd4cf6477274e1509f371 [0,2,0,0,0,0|1,0,0]=3 5681 B13R0.115 C=CCC[C@@H](C)OCC(=O)CC(=O)O 4bd9db6593baf34abe189a936a2b1134 [0,2,0,0,0,0|1,0,1]=4 5682 B13R0.115 C=CCC[C@@H](O)CNC(C)CC(=O)O 3591659b7e2aa2537078fd7cc324d549 [0,2,0,0,0,0|1,0,0]=3 5683 B13R0.115 C=CCC[C@@H](O)CN[C@@H](C)CC(=O)O 21af2d296437aa7fcee2ef184b155b02 [0,2,0,0,0,0|1,0,0]=3 5684 B13R0.115 C=CCC[C@@H](O)CN[C@H](C)CC(=O)O a45fe2b4deb19d5d79a6c701b79d5750 [0,2,0,0,0,0|1,0,0]=3 5685 B13R0.178 C=C(Br)CCOCCC(C)CC(=O)O 411caeeedd23599128d27e639ceab9d3 [0,2,0,0,0,0|1,0,0]=3 5686 B13R0.178 C=C(Br)CN(C)CCOCCC(=O)O c92a01548c396e730fe35e56569aebe7 [0,2,0,0,0,0|2,0,0]=4 5687 B13R0.178 C=C(C)CCCNCC(O)CC(=O)O 6ba005992a0aa99780a0178f71d50eba [0,2,0,0,0,0|1,0,0]=3 5688 B13R0.178 C=C(C)CCCNC[C@@H](O)CC(=O)O 63202d2f977f81b73ec1a5519a1346ad [0,2,0,0,0,0|1,0,0]=3 5689 B13R0.178 C=C(C)CCCNC[C@H](O)CC(=O)O 46dad19edb435c5d4f982c00a5762cf6 [0,2,0,0,0,0|1,0,0]=3 5690 B13R0.178 C=C(C)CCCOCC(=O)CC(=O)O 394acefd9dd95d367735fbbc668ca5cd [0,2,0,0,0,0|1,0,1]=4 5691 B13R0.178 C=C(C)CCNCCC(C)CC(=O)O ad7fa64fb00efdad9018ffc123060e31 [0,2,0,0,0,0|1,0,0]=3 5692 B13R0.178 C=C(C)CCOCCC(C)CC(=O)O fb0350e115f59c1d4502ff53ab3d8191 [0,2,0,0,0,0|1,0,0]=3 5693 B13R0.178 C=C(C)CN(C)CCOCCC(=O)O 5f7e2f4d3d13b9c3424af878689d7234 [0,2,0,0,0,0|2,0,0]=4 5694 B13R0.178 C=C(C)COCCOC(C)CC(=O)O 91bbb9ce65e50d78148d5c73e536f2b8 [0,2,0,0,0,0|2,0,0]=4 5695 B13R0.178 C=C(Cl)CN(C)CCOCCC(=O)O c5b3ce74c36e85aac10c49a52cd0cae8 [0,2,0,0,0,0|2,0,0]=4 5696 B13R0.178 CC(=O)CCCCCN(C)CC(=O)O 9c3b268f4eb8834e91a13dbeb4f052ac [0,2,0,0,0,0|1,0,1]=4 5697 B13R0.178 CC(=O)CCCCNC(C)CC(=O)O b61c4f67d73800ff375844340fda9f4a [0,2,0,0,0,0|1,0,1]=4 5698 B13R0.178 CC(=O)CCCCN[C@@H](C)CC(=O)O 6fbba9eeceefc689226427809161c3af [0,2,0,0,0,0|1,0,1]=4 5699 B13R0.178 CC(=O)CCCCN[C@H](C)CC(=O)O 9733c03d2b46e4c008eed466ee94c0e1 [0,2,0,0,0,0|1,0,1]=4 5700 B13R0.178 CC(=O)CCCCOC(C)CC(=O)O e63f709d71002aea1f4ffa83142233bc [0,2,0,0,0,0|1,0,1]=4 5701 B13R0.178 CC(=O)CCCCO[C@@H](C)CC(=O)O a0e9d40c8941019726e73ce34e79a097 [0,2,0,0,0,0|1,0,1]=4 5702 B13R0.178 CC(=O)CCCCO[C@H](C)CC(=O)O 7009af8092e6764669c48a5812f9dd74 [0,2,0,0,0,0|1,0,1]=4 5703 B13R0.178 CC(=O)CCCNCC(O)CC(=O)O 0d5febeda81898e25f16ab1ab4cb6da3 [0,2,0,0,0,0|1,0,1]=4 5704 B13R0.178 CC(=O)CCCNC[C@@H](O)CC(=O)O 8ea656d31271afdaff7636d6daf83f84 [0,2,0,0,0,0|1,0,1]=4 5705 B13R0.178 CC(=O)CCCNC[C@H](O)CC(=O)O fad1beb7129847fab782899d9204fb60 [0,2,0,0,0,0|1,0,1]=4 5706 B13R0.178 CC(=O)CCOCCC(C)CC(=O)O d041de29557835d05dfda5fda2cb1ca8 [0,2,0,0,0,0|1,0,1]=4 5707 B13R0.178 CC(CC(=O)O)NCCCCC(=O)N 27fa6b6cccf050ff9ca257b153866dbd [0,2,0,0,0,0|2,0,0]=4 5708 B13R0.178 CC(CC(=O)O)NCCCCC(=O)O 159763336de63c48bd34772c64c88490 [0,2,0,0,0,0|2,0,0]=4 5709 B13R0.178 CC(CCNCCC(=O)N)CC(=O)O 4f3277ae749b4b8c41e97b9c74ba1db0 [0,2,0,0,0,0|2,0,0]=4 5710 B13R0.178 CC(CCNCCC(=O)O)CC(=O)O e62dd8f9aead66a64290bbd1b2e78c06 [0,2,0,0,0,0|2,0,0]=4 5711 B13R0.178 CC(CCNCCC(=S)N)CC(=O)O 110a62d6b5fa0cc97f6e8c3ef39343bf [0,2,0,0,0,0|2,0,0]=4 5712 B13R0.178 CC(CCOCCC(=O)N)CC(=O)O 165b87c530e8bb8999d4438f97383082 [0,2,0,0,0,0|2,0,0]=4 5713 B13R0.178 CC(CCOCCC(=O)O)CC(=O)O 95328c3730d51b5d7354279898a2bbba [0,2,0,0,0,0|2,0,0]=4 5714 B13R0.178 CN(CCCCCC(=O)N)CC(=O)O dd695fd26c2f195814967cb2a9806e2a [0,2,0,0,0,0|2,0,0]=4 5715 B13R0.178 C[C@@H](CC(=O)O)NCCCCC(=O)N 63ae7c40b3f7a49029edc9797d1526e5 [0,2,0,0,0,0|2,0,0]=4 5716 B13R0.178 C[C@@H](CC(=O)O)NCCCCC(=O)O d90af49b71aec39be6bd2073efe370b5 [0,2,0,0,0,0|2,0,0]=4 5717 B13R0.178 C[C@H](CC(=O)O)NCCCCC(=O)N fbc82697c0d75ed739defc6d2659f147 [0,2,0,0,0,0|2,0,0]=4 5718 B13R0.178 C[C@H](CC(=O)O)NCCCCC(=O)O 61a176626d7f5addcc8a2be6d7c38bab [0,2,0,0,0,0|2,0,0]=4 5719 B13R0.178 NC(=O)CCCNCC(O)CC(=O)O 8fe358f981b4748afbc651668d0318cb [0,2,0,0,0,0|2,0,0]=4 5720 B13R0.178 NC(=O)CCCNC[C@@H](O)CC(=O)O 42510ee99cc7e8e77ef49e7685d80586 [0,2,0,0,0,0|2,0,0]=4 5721 B13R0.178 NC(=O)CCCNC[C@H](O)CC(=O)O a1b4cf8988bd875b34fa6b423cfd45f4 [0,2,0,0,0,0|2,0,0]=4 5722 B13R0.178 O=C(O)CCCNCC(O)CC(=O)O d166193fa6f9d859e49c1bca72663531 [0,2,0,0,0,0|2,0,0]=4 5723 B13R0.178 O=C(O)CCCNC[C@@H](O)CC(=O)O 6eff437d02bbfd492dfbe3ee78f66db7 [0,2,0,0,0,0|2,0,0]=4 5724 B13R0.178 O=C(O)CCCNC[C@H](O)CC(=O)O 67ab1cc0770ce12f297895f70b6da4b4 [0,2,0,0,0,0|2,0,0]=4 5725 B13R0.198 C=CC(=O)CCCNC(C)CC(=O)O 509e80a2da76a2883d23e85e947aa9c4 [0,2,0,0,0,0|1,0,1]=4 5726 B13R0.198 C=CC(=O)CCCN[C@@H](C)CC(=O)O 746540b44c9abf1d61c4430dc86947b2 [0,2,0,0,0,0|1,0,1]=4 5727 B13R0.198 C=CC(=O)CCCN[C@H](C)CC(=O)O 4485658e24af5099a853fc1b8589227d [0,2,0,0,0,0|1,0,1]=4 5728 B13R0.198 C=CC(=O)CCCOC(C)CC(=O)O 2db1d014a40a49fff16e2d9f18d4fe19 [0,2,0,0,0,0|1,0,1]=4 5729 B13R0.198 C=CC(=O)CCCO[C@@H](C)CC(=O)O 912c458c81df96a9fd260f15582f822e [0,2,0,0,0,0|1,0,1]=4 5730 B13R0.198 C=CC(=O)CCCO[C@H](C)CC(=O)O ecba1170944e4fe2c33d5b736c409e49 [0,2,0,0,0,0|1,0,1]=4 5731 B13R0.198 C=CC(C)COCCC(C)CC(=O)O f2cdc67da52187ef617e2e16ecc6d682 [0,2,0,0,0,0|1,0,0]=3 5732 B13R0.198 C=CC(O)CNCCC(C)CC(=O)O d21b95017e000a5af80b4578942811fd [0,2,0,0,0,0|1,0,0]=3 5733 B13R0.274 C=CCCCCCN(C)CC(=C)CO a6605dc4858ed24dcd86341eb7ac164c [0,2,0,0,0,0|2,0,0]=4 5734 B13R0.274 C=CCCCCCN(C)CC(=C)OC 4c97ea989970a5cf00673f1db1fd7ff7 [0,2,0,0,0,0|2,0,0]=4 5735 B13R0.274 C=CCCCCCN(C)CC(=O)CC 99fdaebef54ec4431f51c5c829bf7c8c [0,2,0,0,0,0|2,0,0]=4 5736 B13R0.274 C=CCCCCCN(C)CC(=O)CO baf8a0ef9c5f3dfdbf0970764c2ef780 [0,2,0,0,0,0|1,0,0]=3 5737 B13R0.274 C=CCCCCCN(C)CC(=O)NC 32932cd859ffad5cca707e57159c7270 [0,2,0,0,0,0|2,0,0]=4 5738 B13R0.274 C=CCCCCCN(C)CC(=O)OC 5aceca1a2791c7f1f0a15ba77f59542c [0,2,0,0,0,0|1,0,0]=3 5739 B13R0.274 C=CCCCCNC(=O)CC(=O)OC 6154f08ffbc758a19da12c2ed490b928 [0,2,0,0,0,0|1,0,1]=4 5740 B13R0.274 C=CCCCCNC(C)CC(=O)OC 9a9b2d0049e92b268c14f517a1f89570 [0,2,0,0,0,0|1,0,0]=3 5741 B13R0.274 C=CCCCCNC(C)OC(=O)OC 79109f7990ab23a74aed66b9a23019c9 [0,2,0,0,0,0|2,0,0]=4 5742 B13R0.274 C=CCCCCN[C@@H](C)CC(=O)OC b45ea80b82265683da61aa3069ba36df [0,2,0,0,0,0|1,0,0]=3 5743 B13R0.274 C=CCCCCN[C@H](C)CC(=O)OC e1057b087292a56cd47fc3c53117e287 [0,2,0,0,0,0|1,0,0]=3 5744 B13R0.274 C=CCCCCOC(C)CC(=O)OC f1e941ea004a5700f948ac26f0a79322 [0,2,0,0,0,0|1,0,0]=3 5745 B13R0.274 C=CCCCCOC(C)OC(=O)OC ce923e506bb5aaf58226840ba798b1e8 [0,2,0,0,0,0|2,0,0]=4 5746 B13R0.274 C=CCCCCO[C@@H](C)CC(=O)OC 085059fbef2b5acb8dfc87da88bd9b92 [0,2,0,0,0,0|1,0,0]=3 5747 B13R0.274 C=CCCCCO[C@H](C)CC(=O)OC df3b3b13d48c6bff4ee1dc2137519302 [0,2,0,0,0,0|1,0,0]=3 5748 B13R0.274 C=CCCCNCC(=C)CC(=O)OC bd21f58c582056e26a5364cb2d393344 [0,2,0,0,0,0|1,0,1]=4 5749 B13R0.274 C=CCCCNCC(=O)CC(=O)OC ca612b292435876145fe92535962b1e3 [0,2,0,0,0,0|1,0,1]=4 5750 B13R0.274 C=CCCCNCC(C)CC(=O)OC 5ee4918c81b5ec839bb4f1c8d71d9bee [0,2,0,0,0,0|1,0,0]=3 5751 B13R0.274 C=CCCCNCC(O)CC(=O)OC 87c4793ddc62eae44d8661bd8e6c313c [0,2,0,0,0,0|1,0,0]=3 5752 B13R0.274 C=CCCCNC[C@@H](O)CC(=O)OC bde800f451641909ed648bee3fcf9059 [0,2,0,0,0,0|1,0,0]=3 5753 B13R0.274 C=CCCCNC[C@H](O)CC(=O)OC 00e3173730da633350d50d5fc138fa4b [0,2,0,0,0,0|1,0,0]=3 5754 B13R0.274 C=CCCCOCC(=C)CC(=O)OC 9aca90b0ab1509b768f01b06abdeecff [0,2,0,0,0,0|1,0,1]=4 5755 B13R0.274 C=CCCCOCC(=O)CC(=O)OC 2cab9c2db0f57ee4394beab79e6a7fa7 [0,2,0,0,0,0|1,0,1]=4 5756 B13R0.274 C=CCCCOCC(C)CC(=O)OC a3971d295d45a298c73b3c3f08b532e2 [0,2,0,0,0,0|1,0,0]=3 5757 B13R0.274 C=CCCNCC[C@@H](C)CC(=O)OC 3987b6e84d7136a38b1298e5e0be77a8 [0,2,0,0,0,0|1,0,0]=3 5758 B13R0.274 C=CCCOCCC(=O)CC(=O)OC ccb2b2218fbeab9809ff0763c7ea4665 [0,2,0,0,0,0|1,0,1]=4 5759 B13R0.274 C=CCCOCC[C@@H](C)CC(=O)OC 6ffa11284d2cd5643a61a362961f3721 [0,2,0,0,0,0|1,0,0]=3 5760 B13R0.274 C=CCOCCNC(C)CC(=O)OC e57b6f137e9a16f33f13f61eacc91001 [0,2,0,0,0,0|2,0,0]=4 5761 B13R0.274 C=CCOCCN[C@@H](C)CC(=O)OC 4426d0b0137f2f723c40502555f3acc2 [0,2,0,0,0,0|2,0,0]=4 5762 B13R0.274 C=CCOCCN[C@H](C)CC(=O)OC 7bbc84b922db4150870128d2b84f4e7e [0,2,0,0,0,0|2,0,0]=4 5763 B13R0.274 C=CCOCCOC(C)CC(=O)OC fce403bea3d6f0d5c365874ea6b23d93 [0,2,0,0,0,0|2,0,0]=4 5764 B13R0.274 C=CCOCCO[C@@H](C)CC(=O)OC d27ff8ddd5e46d76c41dad7461c23862 [0,2,0,0,0,0|2,0,0]=4 5765 B13R0.274 C=CCOCCO[C@H](C)CC(=O)OC c2922d7069174a0b413a7b18bd486266 [0,2,0,0,0,0|2,0,0]=4 5766 B13R0.274 C=COCCCNC(C)CC(=O)OC 077ce10556b957177ce3855622a07422 [0,2,0,0,0,0|2,0,0]=4 5767 B13R0.274 C=COCCCN[C@@H](C)CC(=O)OC e1692fabb5a3646819d87cc85fe00c41 [0,2,0,0,0,0|2,0,0]=4 5768 B13R0.274 C=COCCNCC(C)CC(=O)OC b0b588ed0a417b733af059cdf7822678 [0,2,0,0,0,0|2,0,0]=4 5769 B13R0.274 C=COCCNCC(O)CC(=O)OC 2558ea057f2b7e68eaf1516ccc074c11 [0,2,0,0,0,0|2,0,0]=4 5770 B13R0.274 C=COCCNC[C@@H](O)CC(=O)OC 78751146f521e63028a7fd3f1fd4a6c5 [0,2,0,0,0,0|2,0,0]=4 5771 B13R0.274 C=COCCNC[C@H](O)CC(=O)OC f19d25c140a22cfae2d5d7daa206ab51 [0,2,0,0,0,0|2,0,0]=4 5772 B13R0.274 C=COCCOCC(C)CC(=O)OC bcf4edcb0137cb3ed4a14e205894471e [0,2,0,0,0,0|2,0,0]=4 5773 B13R0.274 COC(=O)CC(C)COCCCC=O 6e46ecc90c7999fb96de624e5acb404e [0,2,0,0,0,0|2,0,0]=4 5774 B13R0.274 COC(=O)CC(C)NCCCCC=O 90f2c3606874579cda6752087f4b1d33 [0,2,0,0,0,0|2,0,0]=4 5775 B13R0.274 COC(=O)CC(C)OCCCCC=O eeb3f756130b1f429f0701ab4c367394 [0,2,0,0,0,0|2,0,0]=4 5776 B13R0.274 COC(=O)CN(C)CCCCCC=O 7de83752826eeb269bab69f17bd3ba4d [0,2,0,0,0,0|2,0,0]=4 5777 B13R0.274 COC(=O)C[C@@H](C)NCCCCC=O 94c4611eb4800f121382532a4b66541f [0,2,0,0,0,0|2,0,0]=4 5778 B13R0.274 COC(=O)C[C@@H](C)OCCCCC=O 3424b9812e0a532c2851c90a89f4290d [0,2,0,0,0,0|2,0,0]=4 5779 B13R0.274 COC(=O)C[C@H](C)CCOCCC=O eb803e7975f50557d6953e7bda1156de [0,2,0,0,0,0|2,0,0]=4 5780 B13R0.274 COC(=O)C[C@H](C)NCCCCC=O f30dcfa0171101b995b6c5ca5cd8aa65 [0,2,0,0,0,0|2,0,0]=4 5781 B13R0.274 COC(=O)C[C@H](C)OCCCCC=O 5e32be2a0ee2a5b88fe4841adc80898e [0,2,0,0,0,0|2,0,0]=4 5782 B13R0.286 C=CCCCCCN(C)CS(=O)(=O)O 788f333f202481f094e551df05a20ded [0,2,0,0,0,0|2,0,0]=4 5783 B13R0.332 C=CCC(C)CNCC(O)CC(=O)O 6462936e4dc42e852bb1fd5aa1ee794f [0,2,0,0,0,0|1,0,0]=3 5784 B13R0.332 C=CCC(C)CNC[C@@H](O)CC(=O)O fb839b8648d24b535f8c101b908d1ed6 [0,2,0,0,0,0|1,0,0]=3 5785 B13R0.332 C=CCC(C)CNC[C@H](O)CC(=O)O 1d98c029b39e54800d38154a4f681ab4 [0,2,0,0,0,0|1,0,0]=3 5786 B13R0.332 C=CCC(C)COCC(=O)CC(=O)O 529b9b8bd921ae6310904c757b508b2b [0,2,0,0,0,0|1,0,1]=4 5787 B13R0.332 C=CCC(C)OCCC(C)CC(=O)O 80b68810a0a4cf6a909a5848cccf2feb [0,2,0,0,0,0|1,0,0]=3 5788 B13R0.332 C=CCC(O)CNCC(=O)CC(=O)O e8faf4ab99c9cbe07ad172d9f59da737 [0,2,0,0,0,0|1,0,1]=4 5789 B13R0.332 C=CCN(C)CCOC(C)CC(=O)O 8d26c9f788891c96b8a0bdb236cf0f77 [0,2,0,0,0,0|2,0,0]=4 5790 B13R0.332 C=CC[C@@H](C)OCCC(C)CC(=O)O 42f5e2cb922ddef330c3f5ce8ef8b518 [0,2,0,0,0,0|1,0,0]=3 5791 B13R0.332 C=CC[C@H](C)OCCC(C)CC(=O)O f570b29dd33eac7d9d040192140a8219 [0,2,0,0,0,0|1,0,0]=3 5792 B13R0.333 C=CCCCN(C)CC(=O)CC(=O)O bb820146b0b0218efca6f2e1a4668d7a [0,2,0,0,0,0|1,0,1]=4 5793 B13R0.333 C=CCCC[C@H](C)OC(C)CC(=O)O cbc4baeaed7f6ddcd1d33a34b77cfcdd [0,2,0,0,0,0|1,0,0]=3 5794 B13R0.333 C=CCOCC(O)CN(C)CC(=O)O 1fcb2df42b760031978c84b77ef5fdd3 [0,2,0,0,0,0|2,0,0]=4 5795 B13R0.335 C#CCCCCCCN(C)CC(=O)O bb854ded003d453a651b1f8af090bf89 [0,2,0,0,0,0|0,0,2]=4 5796 B13R0.335 C#CCCCCCNC(C)CC(=O)O 3def1b66200c3d86564462a85249229c [0,2,0,0,0,0|0,0,2]=4 5797 B13R0.335 C#CCCCCCN[C@@H](C)CC(=O)O dc4bdb4d00030c58e35d80cd65c6534d [0,2,0,0,0,0|0,0,2]=4 5798 B13R0.335 C#CCCCCCN[C@H](C)CC(=O)O 3087991f9b93c25c096b1df84055c56d [0,2,0,0,0,0|0,0,2]=4 5799 B13R0.335 C#CCCCCCOC(C)CC(=O)O 5cc1f989310bb807b3009a6671faea72 [0,2,0,0,0,0|0,0,2]=4 5800 B13R0.335 C#CCCCCCO[C@@H](C)CC(=O)O 09d9a0761e0046c380c598fd40fc80d0 [0,2,0,0,0,0|0,0,2]=4 5801 B13R0.335 C#CCCCCCO[C@H](C)CC(=O)O 3aa3a16424e976599ec6ee7a3ea4477b [0,2,0,0,0,0|0,0,2]=4 5802 B13R0.335 C#CCCCCNCC(O)CC(=O)O 407ccccaed9ff0a2628c59a6a828a2c7 [0,2,0,0,0,0|0,0,2]=4 5803 B13R0.335 C#CCCCCNC[C@@H](O)CC(=O)O 8df87b95884ee6c01fc8df50be2b1a50 [0,2,0,0,0,0|0,0,2]=4 5804 B13R0.335 C#CCCCCNC[C@H](O)CC(=O)O f7bc357c564eb27693a581d3a503e4e2 [0,2,0,0,0,0|0,0,2]=4 5805 B13R0.335 C#CCCCNCCC(C)CC(=O)O d89e909bddde18ad049e9850391c6763 [0,2,0,0,0,0|0,0,2]=4 5806 B13R0.335 C#CCCCOCCC(C)CC(=O)O 2e22cdd8816036b50ea34f5bcf0f30fb [0,2,0,0,0,0|0,0,2]=4 5807 B13R0.335 C/C=C/CCCOCC(=O)CC(=O)O 1a2d15d2835b66e7f2c8a73d02172707 [0,2,0,0,0,0|1,0,1]=4 5808 B13R0.335 C/C=C/CCOCCC(C)CC(=O)O 878dbbf21e1d3f4378001cf57b82ee2b [0,2,0,0,0,0|1,0,0]=3 5809 B13R0.335 C/C=C\CCCNCC(O)CC(=O)O 58e998fb2abf6369ee4731fe0b133525 [0,2,0,0,0,0|1,0,0]=3 5810 B13R0.335 C/C=C\CCCNC[C@@H](O)CC(=O)O 7c7a26bb95ac6e2dc36daeee911ba28f [0,2,0,0,0,0|1,0,0]=3 5811 B13R0.335 C/C=C\CCCNC[C@H](O)CC(=O)O 02771f83c467b936bd11c8b84fa05ec9 [0,2,0,0,0,0|1,0,0]=3 5812 B13R0.335 C/C=C\CCCOCC(=O)CC(=O)O 1fcde7586e965a510b2409178f54a970 [0,2,0,0,0,0|1,0,1]=4 5813 B13R0.335 C=C=CCCOCCC(C)CC(=O)O 2f2feb8ec6be00fadcb264d5c397db1f [0,2,0,0,0,0|1,0,0]=3 5814 B13R0.335 C=CCC#CCCOC(C)CC(=O)O dad4284c598b46d035b2a89732070d53 [0,2,0,0,0,0|0,0,2]=4 5815 B13R0.335 C=CCCCCCCN(C)CC(=C)Br 0bb7cbc193f1f72e2d562bc0eef242dc [0,2,0,0,0,0|2,0,0]=4 5816 B13R0.335 C=CCCCCCCN(C)CC(=C)C 666c0ff3ce64e2729c92ca3f48873e1b [0,2,0,0,0,0|2,0,0]=4 5817 B13R0.335 C=CCCCCCCN(C)CC(=C)Cl 4308009aea26650a3f7ce6751f97941f [0,2,0,0,0,0|2,0,0]=4 5818 B13R0.335 C=CCCCCCCN(C)CC(=C)F eb0a576e948013ae242f301d55f94b03 [0,2,0,0,0,0|2,0,0]=4 5819 B13R0.335 C=CCCCCCCN(C)CC(=O)N 80c91870c50c95d4cab3f1827cb173d8 [0,2,0,0,0,0|1,0,0]=3 5820 B13R0.335 C=CCCCCCCN(C)CC(=O)O d5a5dd4e54672039349b9ad81444b638 [0,2,0,0,0,0|0,0,0]=2 5821 B13R0.335 C=CCCCCCCN(C)CC(C)O 97354497231e40efae334e2cafc7b19f [0,2,0,0,0,0|1,0,1]=4 5822 B13R0.335 C=CCCCCCCN(C)C[C@@H](C)O 38e036fc6d18ca5d98ef97884182f408 [0,2,0,0,0,0|1,0,1]=4 5823 B13R0.335 C=CCCCCCCN(C)C[C@H](C)O 2dfe6776d8704c58c58f1fd5da9b3c09 [0,2,0,0,0,0|1,0,1]=4 5824 B13R0.335 C=CCCCCCCN(C)C[N+](=O)[O-] e58b1c1886ca5eef178d97d00416a3d4 [0,2,0,0,0,0|1,0,1]=4 5825 B13R0.335 C=CCCCCCNC(=O)CC(=O)C 23ac1532df3e5a2d8bf044b91852b87d [0,2,0,0,0,0|1,0,1]=4 5826 B13R0.335 C=CCCCCCNC(=O)CC(=O)N 3b557d705c44818892c3c57f1dfad4ee [0,2,0,0,0,0|1,0,1]=4 5827 B13R0.335 C=CCCCCCNC(C)CC(=O)O 454421224276ed8b2b562451120203ee [0,2,0,0,0,0|0,0,0]=2 5828 B13R0.335 C=CCCCCCNC(C)CC(C)O 22a77aa011b8053ff28368d4f23b21fd [0,2,0,0,0,0|1,0,1]=4 5829 B13R0.335 C=CCCCCCNC(C)OC(=O)C de865dcc2ef3e60a03dec6b6c3db2925 [0,2,0,0,0,0|2,0,0]=4 5830 B13R0.335 C=CCCCCCN[C@@H](C)CC(=O)O da04110e3fa2940436dd19da825e3a57 [0,2,0,0,0,0|0,0,0]=2 5831 B13R0.335 C=CCCCCCN[C@H](C)CC(=O)O 3f7840d69f70bdb124c81e9f90982048 [0,2,0,0,0,0|0,0,0]=2 5832 B13R0.335 C=CCCCCCOC(C)CC(=O)N d0478f4fef194906b9ea723644920be7 [0,2,0,0,0,0|1,0,0]=3 5833 B13R0.335 C=CCCCCCOC(C)CC(=O)O c082983c0daa718f729699494c92f063 [0,2,0,0,0,0|0,0,0]=2 5834 B13R0.335 C=CCCCCCOC(C)C[N+](=O)[O-] e873077e93798478f71525577c86d410 [0,2,0,0,0,0|1,0,1]=4 5835 B13R0.335 C=CCCCCCOC(C)OC(=O)C fb67f4e64edb3569e73d7c2ee9a1091c [0,2,0,0,0,0|2,0,0]=4 5836 B13R0.335 C=CCCCCCO[C@@H](C)CC(=O)O 4e00f4fc45d0b04d7b138d6ab80a8693 [0,2,0,0,0,0|0,0,0]=2 5837 B13R0.335 C=CCCCCCO[C@H](C)CC(=O)O 0a91e36ac7e07be35efef92a02762659 [0,2,0,0,0,0|0,0,0]=2 5838 B13R0.335 C=CCCCCNCC(=O)CC(=O)O 6c5de01ad9955eb0335b151e8e2e94ce [0,2,0,0,0,0|0,0,1]=3 5839 B13R0.335 C=CCCCCNCC(O)CC(=O)O cb17d4a40689d23abfc6f79d92cfd91f [0,2,0,0,0,0|0,0,0]=2 5840 B13R0.335 C=CCCCCNC[C@@H](O)CC(=O)O 7fe0f9685f49b6635a86c587b729fc2e [0,2,0,0,0,0|0,0,0]=2 5841 B13R0.335 C=CCCCCNC[C@H](O)CC(=O)O 2e81d7a4b50c292bb4012ef343246285 [0,2,0,0,0,0|0,0,0]=2 5842 B13R0.335 C=CCCCCOCC(=O)CC(=O)O 88ea4c40e76c13ef988f3e1d3b15c248 [0,2,0,0,0,0|0,0,1]=3 5843 B13R0.335 C=CCCCCOCC(C)NC(=O)C ce74bf0eeb13f759b6933ae03793df30 [0,2,0,0,0,0|2,0,0]=4 5844 B13R0.335 C=CCCCCOC[C@@H](C)NC(=O)C 2c97828d7a200d5b1d39c7265fb70c30 [0,2,0,0,0,0|2,0,0]=4 5845 B13R0.335 C=CCCCNCCC(C)CC(=O)O dd2dc969387ba12293e1419914270879 [0,2,0,0,0,0|0,0,0]=2 5846 B13R0.335 C=CCCCOCCC(C)CC(=O)O f79693daa2814019ad35eeb587eb166d [0,2,0,0,0,0|0,0,0]=2 5847 B13R0.335 C=CCCCOCCN(C)CC(=O)C e23abc1d695f3acdf957988f4e2c5b5d [0,2,0,0,0,0|2,0,0]=4 5848 B13R0.335 C=CCCCOCCN(C)CC(=O)O 9d10edcc316fd378d9b20385e86600ed [0,2,0,0,0,0|1,0,0]=3 5849 B13R0.335 C=CCOCCNCC(O)CC(=O)O 263b8b857981bb2ead6e064fbf83a8a1 [0,2,0,0,0,0|1,0,0]=3 5850 B13R0.335 C=CCOCCNC[C@@H](O)CC(=O)O 4a97a8a18a9d82681fd3b6b5ab441ff8 [0,2,0,0,0,0|1,0,0]=3 5851 B13R0.335 C=CCOCCNC[C@H](O)CC(=O)O 85f2fc6a558118895df92464fafd1395 [0,2,0,0,0,0|1,0,0]=3 5852 B13R0.335 C=CCOCCOCC(=O)CC(=O)O 8443f7333380fb1ba157624b4ff9c3bb [0,2,0,0,0,0|1,0,1]=4 5853 B13R0.335 C=COCCCNCC(=O)CC(=O)O 9b50fa8d96630087bb7157a66ce58ff8 [0,2,0,0,0,0|1,0,1]=4 5854 B13R0.335 C=COCCNCCC(C)CC(=O)O 7fe713f168f6d2a1b6a24b504e574289 [0,2,0,0,0,0|1,0,0]=3 5855 B13R0.335 C=COCCOCCC(C)CC(=O)O 0565d6722a22b07e6ba11fcae1525551 [0,2,0,0,0,0|1,0,0]=3 5856 B13R0.335 CC(CC(=O)N)OCCCCCC=O f37ba369ff01724bb73f64426d018c9d [0,2,0,0,0,0|2,0,0]=4 5857 B13R0.335 CC(CC(=O)O)NCCCCCC#N ea2755156e56fbb773867113d72bf434 [0,2,0,0,0,0|1,0,1]=4 5858 B13R0.335 CC(CC(=O)O)NCCCCCC=O ab6cac3e45776ad0c6603dc0cda246fa [0,2,0,0,0,0|1,0,0]=3 5859 B13R0.335 CC(CC(=O)O)NCCCCCCCl d2e2a3c3d0c93979ad199ca18dc4433c [0,2,0,0,0,0|1,0,1]=4 5860 B13R0.335 CC(CC(=O)O)NCCCCCCF d12b0a5b382edab3755fae22131251a1 [0,2,0,0,0,0|1,0,1]=4 5861 B13R0.335 CC(CC(=O)O)NCCCCCCO 9de2af404b07665295ae8c3ed2cf18b7 [0,2,0,0,0,0|1,0,1]=4 5862 B13R0.335 CC(CC(=O)O)OCCCCCC#N b3b1992e55772bd8c6bba4eb855cb925 [0,2,0,0,0,0|1,0,1]=4 5863 B13R0.335 CC(CC(=O)O)OCCCCCC=O 53c548931c4d1f372a640491c2666bff [0,2,0,0,0,0|1,0,0]=3 5864 B13R0.335 CC(CC(=O)O)OCCCCCCF 3f6f94d084ad51e5bf07822efe9e71bb [0,2,0,0,0,0|1,0,1]=4 5865 B13R0.335 CC(CCNCCCC#N)CC(=O)O 119cdc5f0d5cb44c0885849b75066799 [0,2,0,0,0,0|1,0,1]=4 5866 B13R0.335 CC(CCNCCCCCl)CC(=O)O af63f364344e2fbb4550b139f93e4de7 [0,2,0,0,0,0|1,0,1]=4 5867 B13R0.335 CC(CCNCCCCO)CC(=O)O dd023bb03765cb3195b442a8adfef7a3 [0,2,0,0,0,0|1,0,1]=4 5868 B13R0.335 CC(CCNCCCCS)CC(=O)O 20abfd09b0315246eee725f87f36b0f1 [0,2,0,0,0,0|1,0,1]=4 5869 B13R0.335 CC(CCOC/C=C/C=O)CC(=O)O 22840636b7781db923ea00055789e654 [0,2,0,0,0,0|1,0,1]=4 5870 B13R0.335 CC(CCOCCCC#N)CC(=O)O 60abedfc7672450065e23d874d644e44 [0,2,0,0,0,0|1,0,1]=4 5871 B13R0.335 CC(CCOCCCC=O)CC(=O)O 1b2ef5a81ab5aadd2fe4e725c89b7247 [0,2,0,0,0,0|1,0,0]=3 5872 B13R0.335 CC(CCOCCCCF)CC(=O)O 1f354d7c98d0a996f9349e3789f7fa42 [0,2,0,0,0,0|1,0,1]=4 5873 B13R0.335 CC(CCOCCCCS)CC(=O)O ee5e1c280da0c07fa43f3b0e39fdf369 [0,2,0,0,0,0|1,0,1]=4 5874 B13R0.335 CC(CCOCCNC=O)CC(=O)O f66981ff88ee490f983db9f6fe03307c [0,2,0,0,0,0|2,0,0]=4 5875 B13R0.335 CC(CCOCCOC=O)CC(=O)O 6ed792a7a8adc5844a45fde660f3c996 [0,2,0,0,0,0|2,0,0]=4 5876 B13R0.335 CC=CCCCOCC(=O)CC(=O)O b58dd65e2181b43c77fedffcdce826fe [0,2,0,0,0,0|1,0,1]=4 5877 B13R0.335 CCCCCCCCN(C)CC(=O)O 2509cae4848afb8cc8fdf123eaa8b2ec [0,2,0,0,0,0|0,0,2]=4 5878 B13R0.335 CCCCCCCNC(C)CC(=O)O b14f86f38320cfd6a27a70ecc828b328 [0,2,0,0,0,0|0,0,2]=4 5879 B13R0.335 CCCCCCCN[C@@H](C)CC(=O)O 78ec7b16ffd03697bbf4e1dfd2517334 [0,2,0,0,0,0|0,0,2]=4 5880 B13R0.335 CCCCCCCN[C@H](C)CC(=O)O de678031e40027065fc300037f2163d3 [0,2,0,0,0,0|0,0,2]=4 5881 B13R0.335 CCCCCCCOC(C)CC(=O)O 896a0faad7673db8e793bbaca96e9a30 [0,2,0,0,0,0|0,0,2]=4 5882 B13R0.335 CCCCCCCO[C@@H](C)CC(=O)O 5d628766a2b37860feeb3d9f9441d028 [0,2,0,0,0,0|0,0,2]=4 5883 B13R0.335 CCCCCCCO[C@H](C)CC(=O)O 28335f982a345dc6cf4998321a8e3b28 [0,2,0,0,0,0|0,0,2]=4 5884 B13R0.335 CCCCCCNCC(O)CC(=O)O 1d0810503fa4f352f884ebc35c4d553a [0,2,0,0,0,0|0,0,2]=4 5885 B13R0.335 CCCCCCNC[C@@H](O)CC(=O)O e37747d748d2c2f8294493b265704a8a [0,2,0,0,0,0|0,0,2]=4 5886 B13R0.335 CCCCCCNC[C@H](O)CC(=O)O 5b8dc34dad5b0d42e516cebeaa364b02 [0,2,0,0,0,0|0,0,2]=4 5887 B13R0.335 CCCCCNCCC(C)CC(=O)O 7c6b067f3313121e17e3f0e5160bc55f [0,2,0,0,0,0|0,0,2]=4 5888 B13R0.335 CCCCCOCCC(C)CC(=O)O 13de2c50606febe249aea52e03e3fe18 [0,2,0,0,0,0|0,0,2]=4 5889 B13R0.335 CN(CCCCCCC#N)CC(=O)O 2a26fb2f71e69a236c46fdbe3b6cf904 [0,2,0,0,0,0|1,0,1]=4 5890 B13R0.335 CN(CCCCCCC=O)CC(=O)N 0368d42feeccf35a1de284c2c08eb422 [0,2,0,0,0,0|2,0,0]=4 5891 B13R0.335 CN(CCCCCCC=O)CC(=O)O e8270a37c95c270ef229b47c7bd67aa4 [0,2,0,0,0,0|1,0,0]=3 5892 B13R0.335 CN(CCCCCCCO)CC(=O)O 64d27653af490c27fa06b75583571c77 [0,2,0,0,0,0|1,0,1]=4 5893 B13R0.335 CN(CCOCCCC=O)CC(=O)O 87957eee002eb71441270828c9f4f93c [0,2,0,0,0,0|2,0,0]=4 5894 B13R0.335 COCCCCCCN(C)CC(=O)O 66bdf5cc92dd77cc44e4b1e42c955aa1 [0,2,0,0,0,0|1,0,1]=4 5895 B13R0.335 COCCCCCNC(C)CC(=O)O 83e21652e08dfd2dc9edb6abdc87ac41 [0,2,0,0,0,0|1,0,1]=4 5896 B13R0.335 COCCCCCN[C@@H](C)CC(=O)O 74aebbfc8e490a683d29c11f6c1d43c6 [0,2,0,0,0,0|1,0,1]=4 5897 B13R0.335 COCCCCCN[C@H](C)CC(=O)O 07c091ebdfd43faf5b18b8b198f0484a [0,2,0,0,0,0|1,0,1]=4 5898 B13R0.335 COCCCCCOC(C)CC(=O)O b5b64dac317bf247469d549d1c79e116 [0,2,0,0,0,0|1,0,1]=4 5899 B13R0.335 COCCCCCO[C@@H](C)CC(=O)O 30093540b063423583ad877339947e52 [0,2,0,0,0,0|1,0,1]=4 5900 B13R0.335 COCCCCCO[C@H](C)CC(=O)O 8d71ddfbe122ad730fda38a77542f7dc [0,2,0,0,0,0|1,0,1]=4 5901 B13R0.335 COCCCCNCC(O)CC(=O)O 4eae5aa2a0e86dfbccb8c4979c8fc15a [0,2,0,0,0,0|1,0,1]=4 5902 B13R0.335 COCCCCNC[C@@H](O)CC(=O)O f423b0722aa931b3083748181d4be86c [0,2,0,0,0,0|1,0,1]=4 5903 B13R0.335 COCCCCNC[C@H](O)CC(=O)O 42b3f4ac6daa5541ac58736e0ec732ac [0,2,0,0,0,0|1,0,1]=4 5904 B13R0.335 COCCCNCCC(C)CC(=O)O bf6ca1c489b7ff130cac261f90d5737f [0,2,0,0,0,0|1,0,1]=4 5905 B13R0.335 COCCCOCCC(C)CC(=O)O 0e584bcedf31698ff44e5ee4080a3dc5 [0,2,0,0,0,0|1,0,1]=4 5906 B13R0.335 CSCCCNCCC(C)CC(=O)O 137625b43abe64b2d0c4c98fd8b08bc3 [0,2,0,0,0,0|1,0,1]=4 5907 B13R0.335 CSCCCOCCC(C)CC(=O)O b0e08529e86bbd2e7d6e9574422e9a11 [0,2,0,0,0,0|1,0,1]=4 5908 B13R0.335 C[C@@H](CC(=O)O)NCCCCCC#N 340e8164099ea44f8aa028ac2467c862 [0,2,0,0,0,0|1,0,1]=4 5909 B13R0.335 C[C@@H](CC(=O)O)NCCCCCC=O d917f6db7f7968b512b74e72f8d9333e [0,2,0,0,0,0|1,0,0]=3 5910 B13R0.335 C[C@@H](CC(=O)O)NCCCCCCF 76fb087d896288c1604793d3f6712715 [0,2,0,0,0,0|1,0,1]=4 5911 B13R0.335 C[C@@H](CC(=O)O)NCCCCCCO 04ed57060776409343d4196e54b3fffb [0,2,0,0,0,0|1,0,1]=4 5912 B13R0.335 C[C@@H](CC(=O)O)OCCCCCC#N e0efb523c6694dd4834e245d3799e09f [0,2,0,0,0,0|1,0,1]=4 5913 B13R0.335 C[C@@H](CC(=O)O)OCCCCCC=O dec03c9201a28e4874978d3f7c5702ed [0,2,0,0,0,0|1,0,0]=3 5914 B13R0.335 C[C@@H](CC(=O)O)OCCCCCCF bd765904adcae7d21c0be8751be3e1fd [0,2,0,0,0,0|1,0,1]=4 5915 B13R0.335 C[C@H](CC(=O)O)NCCCCCC#N 0c099993e93ed3f84c0673e19beb133d [0,2,0,0,0,0|1,0,1]=4 5916 B13R0.335 C[C@H](CC(=O)O)NCCCCCC=O 3d98f0c698bb433e423cb0051d70a2b8 [0,2,0,0,0,0|1,0,0]=3 5917 B13R0.335 C[C@H](CC(=O)O)NCCCCCCF ce0d016c8e024c13660f8724ad6f53bb [0,2,0,0,0,0|1,0,1]=4 5918 B13R0.335 C[C@H](CC(=O)O)NCCCCCCO 2fbd17b2ee44b22bed8af948a5288158 [0,2,0,0,0,0|1,0,1]=4 5919 B13R0.335 C[C@H](CC(=O)O)OCCCCCC#N f98528a3d1e1d85ec4d25c925b461d5b [0,2,0,0,0,0|1,0,1]=4 5920 B13R0.335 C[C@H](CC(=O)O)OCCCCCC=O 6a7efbbb6d8be1adf722150377031f87 [0,2,0,0,0,0|1,0,0]=3 5921 B13R0.335 C[C@H](CC(=O)O)OCCCCCCF 0293cdf3ab805e523319d7325e3c1eee [0,2,0,0,0,0|1,0,1]=4 5922 B13R0.335 N#CCCCCNCC(O)CC(=O)O 64d1305b5d189cfb3ec728f6bb067298 [0,2,0,0,0,0|1,0,1]=4 5923 B13R0.335 N#CCCCCNC[C@@H](O)CC(=O)O c02ea5cfe5dacea6f1e7f3597a80558c [0,2,0,0,0,0|1,0,1]=4 5924 B13R0.335 N#CCCCCNC[C@H](O)CC(=O)O f975db49223d561b57a583795fd9b5dc [0,2,0,0,0,0|1,0,1]=4 5925 B13R0.335 NOCCCCNCC(O)CC(=O)O 58aa8d2910fde362776c2e097d1de7c2 [0,2,0,0,0,0|2,0,0]=4 5926 B13R0.335 NOCCCCNC[C@@H](O)CC(=O)O 53d32d72476556d78537a34a4fca6827 [0,2,0,0,0,0|2,0,0]=4 5927 B13R0.335 NOCCCCNC[C@H](O)CC(=O)O 970032522940c00f536a863cf0979b4b [0,2,0,0,0,0|2,0,0]=4 5928 B13R0.335 O=C(O)CC(O)CNCCCCCF 1cfaae8953b6cf94bfc8596d60c8cf4a [0,2,0,0,0,0|1,0,1]=4 5929 B13R0.335 O=C(O)CC(O)CNCCCCCO d14b007c4ea43df74816ae8fd761c0bf [0,2,0,0,0,0|1,0,1]=4 5930 B13R0.335 O=C(O)C[C@@H](O)CNCCCCCF 2c848530e0eb842581f8d1c99b9f72b2 [0,2,0,0,0,0|1,0,1]=4 5931 B13R0.335 O=C(O)C[C@@H](O)CNCCCCCO a513f3204161a5c8e393508af5526bed [0,2,0,0,0,0|1,0,1]=4 5932 B13R0.335 O=C(O)C[C@H](O)CNCCCCCF 02ca18f1145085eb8fcc3f9ff134be38 [0,2,0,0,0,0|1,0,1]=4 5933 B13R0.335 O=C(O)C[C@H](O)CNCCCCCO f7db64a6fc040c90f1281872dc86a521 [0,2,0,0,0,0|1,0,1]=4 5934 B13R0.335 O=CCCCCNCC(O)CC(=O)O a17764285f812fe8b4ec8112ecf205d1 [0,2,0,0,0,0|1,0,0]=3 5935 B13R0.335 O=CCCCCNC[C@@H](O)CC(=O)O 55c915d29708b39662117257a8e83ee8 [0,2,0,0,0,0|1,0,0]=3 5936 B13R0.335 O=CCCCCNC[C@H](O)CC(=O)O 9cbcf89a918dc396df364f6898fe6ae4 [0,2,0,0,0,0|1,0,0]=3 5937 B13R0.335 O=CCCCCOCC(=O)CC(=O)O ad6b626f1261e54bdae7c078fb194e2a [0,2,0,0,0,0|1,0,1]=4 5938 B13R0.335 O=CCOCCNCC(O)CC(=O)O d153ba00b26868df0ec89566ba282aea [0,2,0,0,0,0|2,0,0]=4 5939 B13R0.335 O=CCOCCNC[C@@H](O)CC(=O)O 8cc9619dd4066798c9d0ac2cb48c8c3c [0,2,0,0,0,0|2,0,0]=4 5940 B13R0.335 O=CCOCCNC[C@H](O)CC(=O)O 81660040a71aee623e983a2e6cb6246e [0,2,0,0,0,0|2,0,0]=4 5941 B13R0.337 C=CCCCCCN(C)C(C)C(=O)C 3c0c20814c3bb5600f7696c66e90ab10 [0,2,0,0,0,0|2,0,0]=4 5942 B13R0.337 C=CCCCCCN(C)C(C)C(=O)N 49be77993b273c4b26e8acfe2e0c3393 [0,2,0,0,0,0|2,0,0]=4 5943 B13R0.337 C=CCCCCCN(C)C(C)C(=O)O 26ecb4da03f6891c92a6fa19cab71f4c [0,2,0,0,0,0|1,0,0]=3 5944 B13R0.337 C=CCCCCCN(C)C(F)C(=O)N caa2bb0d5bfcb0ccfd2d9755d89fc723 [0,2,0,0,0,0|2,0,0]=4 5945 B13R0.337 C=CCCCCCN(C)C(F)C(=O)O 05d6f7746885fe8a88dc0f29aa84a733 [0,2,0,0,0,0|1,0,0]=3 5946 B13R0.337 C=CCCCCCN(C)[C@@H](C)C(=O)N 525cc508dcdea04831fa0e99c85fe501 [0,2,0,0,0,0|2,0,0]=4 5947 B13R0.337 C=CCCCCCN(C)[C@@H](C)C(=O)O 09171a0128fffe0f69cc4781490940f9 [0,2,0,0,0,0|1,0,0]=3 5948 B13R0.337 C=CCCCCCN(C)[C@@H](F)C(=O)O aa545152872a536ddc1f1db699daca95 [0,2,0,0,0,0|1,0,0]=3 5949 B13R0.337 C=CCCCCCN(C)[C@H](C)C(=O)N 0c36c4817d539af38a862e30b1ac1fa5 [0,2,0,0,0,0|2,0,0]=4 5950 B13R0.337 C=CCCCCCN(C)[C@H](C)C(=O)O 2c3a601360b4829d37b019838d93798c [0,2,0,0,0,0|1,0,0]=3 5951 B13R0.337 C=CCCCCOC(C)C(C)C(=O)O d8237fbccaa47ebb8601be505b7967a1 [0,2,0,0,0,0|1,0,0]=3 5952 B13R0.337 C=CCOCCOC(C)C(C)C(=O)O a1bce0944366739479e081f59f1167bd [0,2,0,0,0,0|2,0,0]=4 5953 B13R0.337 CC(C(=O)O)N(C)CCCCCC=O 2e35824800b0e1d98b7c37afd674b8ab [0,2,0,0,0,0|2,0,0]=4 5954 B13R0.337 CC(OCCCCC=O)C(C)C(=O)O c30e5df97e2f43ed217ca1051da369f2 [0,2,0,0,0,0|2,0,0]=4 5955 B13R0.337 C[C@@H](C(=O)O)N(C)CCCCCC=O 1159994c9196d0efd3373780edc93190 [0,2,0,0,0,0|2,0,0]=4 5956 B13R0.337 C[C@H](C(=O)O)N(C)CCCCCC=O a88d96287f4b0e2c77900dcdf28c39f4 [0,2,0,0,0,0|2,0,0]=4 5957 B13R0.438 C=CCCCCN(C)C(C)CC(=O)O 390a5895ef674df4f498457266339227 [0,2,0,0,0,0|1,0,0]=3 5958 B13R0.438 C=CCOCCN(C)C(C)CC(=O)O b674ef43338f8ad5f258c83457748116 [0,2,0,0,0,0|2,0,0]=4 5959 B13R0.438 CC(CC(=O)O)N(C)CCCCC=O c35a4f75a6cce75bf61c5138a6398fa3 [0,2,0,0,0,0|2,0,0]=4 5960 B13R0.712 C=CCCCCNC(C)(C)CC(=O)C ee4eac1e90d95abd192f3bfd0b98be44 [0,2,0,0,0,0|2,0,0]=4 5961 B13R0.712 C=CCCCCNC(C)(C)CC(=O)N 948e9ea5596e60b3275b3d55daa81537 [0,2,0,0,0,0|2,0,0]=4 5962 B13R0.712 C=CCCCCNC(C)(C)CC(=O)O 4e90d62f3a1dd9b64668e0f5e884c73b [0,2,0,0,0,0|1,0,0]=3 5963 B13R0.712 C=CCCCNCC(C)(C)CC(=O)O 77c0734f75739fa607952a8bcdfe2aa7 [0,2,0,0,0,0|1,0,0]=3 5964 B13R0.712 C=CCOCCNC(C)(C)CC(=O)O 060a7a2cf0e819aabd9b183d8d78aebb [0,2,0,0,0,0|2,0,0]=4 5965 B13R0.712 CC(C)(CC(=O)O)NCCCCC=O 3492db7cba44910991dd284bdd302dd7 [0,2,0,0,0,0|2,0,0]=4 5966 B13R0.712 CC(C)(CNCCCC=O)CC(=O)O 0c50d1a13a60473f4700452353777234 [0,2,0,0,0,0|2,0,0]=4 5967 B13R0.113 C=CCCC(=O)NCCCC(=O)OC 62b4e9e23ed743eb3f5df034dc821a19 [0,2,0,0,0,0|1,0,1]=4 5968 B13R0.113 C=CCCC(C)NCCCC(=O)OC 8b4c7787e09954ebf85bd9fba5a747f7 [0,2,0,0,0,0|1,0,0]=3 5969 B13R0.113 C=CCCC(C)OCCCC(=O)C=C 3adf19bd027900cc142fcf3a27ce9d10 [0,2,0,0,0,0|2,0,0]=4 5970 B13R0.113 C=CCCC(C)OCCCC(=O)NC 939729f42dc418a08114820cce187f15 [0,2,0,0,0,0|2,0,0]=4 5971 B13R0.113 C=CCCC(C)OCCCC(=O)OC 668e018f39e498df70d830b3e8e40eae [0,2,0,0,0,0|1,0,0]=3 5972 B13R0.113 C=CCCC(C)OCCOC(=O)OC 09962e42f390e232babbde9aa38188e5 [0,2,0,0,0,0|2,0,0]=4 5973 B13R0.113 C=CCCC(O)CNCCC(=O)NC 695f2368eff44e49cc7309b583d58fc2 [0,2,0,0,0,0|2,0,0]=4 5974 B13R0.113 C=CCCC(O)CNCCC(=O)OC ab12234b1554c36760205e696f8fe696 [0,2,0,0,0,0|1,0,0]=3 5975 B13R0.113 C=CCCC(O)CNCOC(=O)OC 6aa7d2bb5a7251c7f7e126f50596f999 [0,2,0,0,0,0|2,0,0]=4 5976 B13R0.113 C=CCCN(C)CCCCC(=O)CC 77a49ecd86c61c980e51926106a871fb [0,2,0,0,0,0|2,0,0]=4 5977 B13R0.113 C=CCCN(C)CCCCC(=O)OC 04aa5b5545dcedd4b558e783dd5ba40e [0,2,0,0,0,0|1,0,0]=3 5978 B13R0.113 C=CCCN(C)CCOCC(=O)OC 6b6914657ea5ce33329f3e709db0c980 [0,2,0,0,0,0|2,0,0]=4 5979 B13R0.113 C=CCC[C@@H](C)OCCCC(=O)C=C 6a033a2f7025611678fa606294b587c4 [0,2,0,0,0,0|2,0,0]=4 5980 B13R0.113 C=CCC[C@@H](C)OCCCC(=O)NC 605ea64e0e33d8a65b796034967e9e96 [0,2,0,0,0,0|2,0,0]=4 5981 B13R0.113 C=CCC[C@@H](C)OCCCC(=O)OC dd72012b1d79fb7f86b865ff012416f2 [0,2,0,0,0,0|1,0,0]=3 5982 B13R0.113 C=CCC[C@@H](O)CNCCC(=O)NC bd5909c7a161051ae71e5be64af94cee [0,2,0,0,0,0|2,0,0]=4 5983 B13R0.113 C=CCC[C@@H](O)CNCCC(=O)NO 9195684c657cdf7bdaa9645de1a17e91 [0,2,0,0,0,0|1,0,0]=3 5984 B13R0.113 C=CCC[C@@H](O)CNCCC(=O)OC 78fa195455357668753c770069ee5f85 [0,2,0,0,0,0|1,0,0]=3 5985 B13R0.117 C=CCCC(C)NCCC(F)C(=O)O 2751ef781f19185ed7b5dd1c3cd7becd [0,2,0,0,0,0|1,0,0]=3 5986 B13R0.117 C=CCCC(C)NCCC(O)C(=O)O 855ce0d12f37a24d17a3ea740f8c5062 [0,2,0,0,0,0|1,0,0]=3 5987 B13R0.117 C=CCCC(C)NCC[C@H](O)C(=O)O 5a6aaeaa591f87768b9d5ee8c99cd821 [0,2,0,0,0,0|1,0,0]=3 5988 B13R0.117 C=CCCC(O)CNCC(=C)C(=O)O 94a46a586666e292beecdea87359ec50 [0,2,0,0,0,0|1,0,1]=4 5989 B13R0.117 C=CCCC(O)CNCC(=O)C(=O)O 03ab891e108bec0d237e299231af2ab0 [0,2,0,0,0,0|1,0,1]=4 5990 B13R0.117 C=CCCC(O)CNCC(C)C(=O)O a1b423508378dce9065439eb725e3efe [0,2,0,0,0,0|1,0,0]=3 5991 B13R0.117 C=CCCC(O)CNCC(O)C(=O)O 8814b6256d9a13cd4b2bad91b171a8e8 [0,2,0,0,0,0|1,0,0]=3 5992 B13R0.117 C=CCCC(O)CNC[C@H](O)C(=O)O efbf6233fb38a85687465634fc30baf0 [0,2,0,0,0,0|1,0,0]=3 5993 B13R0.117 C=CCCN(C)CCCC(C)C(=O)O fc356ed604a0dc044d218c7e83f296f3 [0,2,0,0,0,0|1,0,0]=3 5994 B13R0.117 C=CCC[C@@H](O)CNCC(C)C(=O)O 9d1f7ccb269be2ee25968f6449b463f2 [0,2,0,0,0,0|1,0,0]=3 5995 B13R0.117 C=CCC[C@@H](O)CNCC(F)C(=O)O 0ed2f9b0ae5baebce55196753cbaf9fd [0,2,0,0,0,0|1,0,0]=3 5996 B13R0.117 C=CCC[C@@H](O)CNCC(O)C(=O)O 4a0d61f432c1456f2f3f682616e96807 [0,2,0,0,0,0|1,0,0]=3 5997 B13R0.117 C=CCC[C@@H](O)CNC[C@@H](C)C(=O)O 948f7cbf9dfe6e265fa887ae3432bd23 [0,2,0,0,0,0|1,0,0]=3 5998 B13R0.117 C=CCC[C@@H](O)CNC[C@@H](O)C(=O)O b7d70d391de61d762b7122ca6ef0be2b [0,2,0,0,0,0|1,0,0]=3 5999 B13R0.117 C=CCC[C@@H](O)CNC[C@H](C)C(=O)O 72da094a3e42b675dcfc0bb802f7c620 [0,2,0,0,0,0|1,0,0]=3 6000 B13R0.117 C=CCC[C@@H](O)CNC[C@H](O)C(=O)O c79996180b39c3bbab2c3d5f1e4192c4 [0,2,0,0,0,0|1,0,0]=3 6001 B13R0.124 C=CCCC(C)NCCCS(=O)(=O)O 152cb6afd7b1b617351966a6ee7e52a8 [0,2,0,0,0,0|2,0,0]=4 6002 B13R0.124 C=CCCC(C)OCCCS(=O)(=O)O 244c9e1ed62d0361ed6387042b6f6824 [0,2,0,0,0,0|2,0,0]=4 6003 B13R0.124 C=CCCC(O)CNCCS(=O)(=O)O 1393996259b3a81f99fd42dc9c31a062 [0,2,0,0,0,0|2,0,0]=4 6004 B13R0.124 C=CCCN(C)CCCCS(=O)(=O)O 94100f1c6cf3f3c2c1222548c7ce6393 [0,2,0,0,0,0|2,0,0]=4 6005 B13R0.124 C=CCC[C@@H](C)OCCCS(=O)(=O)O b684490a35f6e97b950b4a5a80dd742e [0,2,0,0,0,0|2,0,0]=4 6006 B13R0.124 C=CCC[C@@H](O)CNCCS(=O)(=O)O c1ab64b48d4fa4a870d02ab28f0b3b38 [0,2,0,0,0,0|2,0,0]=4 6007 B13R0.172 C=CCCC(C)NC(C)CCC(=O)O 5316f2a735501044f84b6672bae3d120 [0,2,0,0,0,0|1,0,0]=3 6008 B13R0.172 C=CCCC(C)N[C@@H](C)CCC(=O)O f87ab7e15829abb73057b9db3be80efc [0,2,0,0,0,0|1,0,0]=3 6009 B13R0.172 C=CCCC(C)OC(C)CCC(=O)O f91071c223daf57c88bce968504a117a [0,2,0,0,0,0|1,0,0]=3 6010 B13R0.172 C=CCCN(C)CC(=O)CCC(=O)O 31353b82bf105a48a6de0da1b72e5ff8 [0,2,0,0,0,0|1,0,1]=4 6011 B13R0.172 C=CCC[C@@H](C)OC(C)CCC(=O)O ff494486d6ca3d1700220a20929cae4b [0,2,0,0,0,0|1,0,0]=3 6012 B13R0.172 C=CCC[C@@H](O)CN(C)CCC(=O)N f8a02588585229939aa60ae82b34ba21 [0,2,0,0,0,0|2,0,0]=4 6013 B13R0.172 C=CCC[C@@H](O)CN(C)CCC(=O)O 77cf6f8a4fb8e6bf58bffe3a650b56ff [0,2,0,0,0,0|1,0,0]=3 6014 B13R0.182 C=C(Br)CCOCC(=O)CCC(=O)O 7389920a1b60b7f913eafdfee93a7102 [0,2,0,0,0,0|1,0,1]=4 6015 B13R0.182 C=C(Br)CNCCN(C)CCC(=O)O aafb457d094ea1bcae235de31de8a688 [0,2,0,0,0,0|2,0,0]=4 6016 B13R0.182 C=C(Br)COCCN(C)CCC(=O)O cfdeb093ca7ffad5439df3065d4a9ad0 [0,2,0,0,0,0|2,0,0]=4 6017 B13R0.182 C=C(C)CCN(C)CCCCC(=O)O dc9c35466c9c18c6263e86e393542fb3 [0,2,0,0,0,0|1,0,0]=3 6018 B13R0.182 C=C(C)CCNCC(=O)CCC(=O)O a54144a6fb363eee572d14c71ee748f9 [0,2,0,0,0,0|1,0,1]=4 6019 B13R0.182 C=C(C)CCOCC(=O)CCC(=O)O 5bd6551a6dacda713bdbf7f42adef947 [0,2,0,0,0,0|1,0,1]=4 6020 B13R0.182 C=C(C)CNCCN(C)CCC(=O)O 51e6d3a5ab5a9b06ed43f628588e95bd [0,2,0,0,0,0|2,0,0]=4 6021 B13R0.182 C=C(C)COCCN(C)CCC(=O)O 9b0ae74efbf4bf2a0d530edef1ecb532 [0,2,0,0,0,0|2,0,0]=4 6022 B13R0.182 C=C(Cl)CNCCN(C)CCC(=O)O 6bcf8ee300fe040863b0982f4f37785b [0,2,0,0,0,0|2,0,0]=4 6023 B13R0.182 C=C(Cl)COCCN(C)CCC(=O)O 8c08b817ab181d6fa47ca5b9ee14509e [0,2,0,0,0,0|2,0,0]=4 6024 B13R0.182 C=C(F)CNCCN(C)CCC(=O)O 849517d99b98bda2db6644f11254b8ad [0,2,0,0,0,0|2,0,0]=4 6025 B13R0.182 C=C(F)COCCN(C)CCC(=O)O e13c21d5e6c9421e5bb0c6d6a1e8a2db [0,2,0,0,0,0|2,0,0]=4 6026 B13R0.182 CC(=O)CCCCN(C)CCC(=O)O 766a7b149e6763a1213bab6e2685c2b9 [0,2,0,0,0,0|1,0,1]=4 6027 B13R0.182 CC(=O)CCCNC(C)CCC(=O)O 4bb801337d853fb7577f16cb04012060 [0,2,0,0,0,0|1,0,1]=4 6028 B13R0.182 CC(=O)CCCN[C@@H](C)CCC(=O)O 04f03379dee4ad6413127139324dde80 [0,2,0,0,0,0|1,0,1]=4 6029 B13R0.182 CC(=O)CCCOC(C)CCC(=O)O 4e1d6d5d56ad7bc3f09f620f607f4326 [0,2,0,0,0,0|1,0,1]=4 6030 B13R0.182 CC(=O)CCN(C)CCCCC(=O)O cac37bc0fcd7ef40433785edf83e6243 [0,2,0,0,0,0|1,0,1]=4 6031 B13R0.182 CC(CCC(=O)O)NCCCC(=O)N 535100733bb5420357fd5abccf0ab6ec [0,2,0,0,0,0|2,0,0]=4 6032 B13R0.182 CC(CCC(=O)O)OCCCC(=O)N 78fd9615ef8f2f94bcabdab1b9641eac [0,2,0,0,0,0|2,0,0]=4 6033 B13R0.182 CC(CCC(=O)O)OCCCC(=O)O 8edeb1ab38cbd3a4fe8fa00f8ce25191 [0,2,0,0,0,0|2,0,0]=4 6034 B13R0.182 CN(CCCCC(=O)O)CCC(=O)N 749411c10b8d9d04df5e2ede56113678 [0,2,0,0,0,0|2,0,0]=4 6035 B13R0.182 CN(CCCCC(=O)O)CCC(=O)O 7fb6f50a3b82f33c3ab17c22b17e0c23 [0,2,0,0,0,0|2,0,0]=4 6036 B13R0.182 C[C@@H](CCC(=O)O)NCCCC(=O)N 9507998634dab658073fd7398b5eb0ba [0,2,0,0,0,0|2,0,0]=4 6037 B13R0.188 C#CCCCN(C)CCCCC(=O)O a17a95d0486b5b4f8565e7465a8bda75 [0,2,0,0,0,0|0,0,2]=4 6038 B13R0.188 C=CCCCC(=O)NCCCC(=O)N 60ab21936833194ae8ee4048b7004326 [0,2,0,0,0,0|1,0,1]=4 6039 B13R0.188 C=CCCCN(C)CCCCC(=O)C ec5eeae5be192e4b5fa7c19c997154b1 [0,2,0,0,0,0|1,0,0]=3 6040 B13R0.188 C=CCCCN(C)CCCCC(=O)N d31b8e6993bf07cb501824ec9a51a89b [0,2,0,0,0,0|1,0,0]=3 6041 B13R0.188 C=CCCCN(C)CCCCC(=O)O 863bd406579c8d1f23e1a47372ce7681 [0,2,0,0,0,0|0,0,0]=2 6042 B13R0.188 C=CCCCN(C)CCCCC(C)O 8999de3e45029dbcbaa8d9a8bfc9e124 [0,2,0,0,0,0|1,0,1]=4 6043 B13R0.188 C=CCCCN(C)CCCC[C@@H](C)O 112e9c3cea14dad971eac68c7ac3ddc1 [0,2,0,0,0,0|1,0,1]=4 6044 B13R0.188 C=CCCCN(C)CCCNC(=O)C af90f618422a686c82681be0381cfdb1 [0,2,0,0,0,0|2,0,0]=4 6045 B13R0.188 C=CCCCN(C)CCCOC(=O)C b667e7548528082b68af1533940067b3 [0,2,0,0,0,0|2,0,0]=4 6046 B13R0.188 C=CCCCN(C)CCCSC(=O)C 7cf372660486ce1c2f3907dda43fc6da [0,2,0,0,0,0|2,0,0]=4 6047 B13R0.188 C=CCCCN(C)CCOCC(=O)N 28cb0025b68c56f9920fb6348c63ed05 [0,2,0,0,0,0|2,0,0]=4 6048 B13R0.188 C=CCCCN(C)CCOCC(=O)O 5b12ff237a206cc0bc6040afbc1c19f5 [0,2,0,0,0,0|1,0,0]=3 6049 B13R0.188 C=CCCC[C@H](C)OCCCC(=C)C 8aca1bff4f62f4feb73d0d85cff05df4 [0,2,0,0,0,0|2,0,0]=4 6050 B13R0.188 C=CCCC[C@H](C)OCCCC(=O)C 4c5c00d6aa0b97d1461a088f5cc9e992 [0,2,0,0,0,0|1,0,0]=3 6051 B13R0.188 C=CCCC[C@H](C)OCCCC(=O)N 781d7aa0a8f29da2c5db0fba8fe049ad [0,2,0,0,0,0|1,0,0]=3 6052 B13R0.188 C=CCCC[C@H](C)OCCCC(=O)O 8fcc281bd09f34c00fec4edc1b8fd2a8 [0,2,0,0,0,0|0,0,0]=2 6053 B13R0.188 C=CCCC[C@H](C)OCCNC(=O)C 7a1bc527da9efc49a89c441d9032830b [0,2,0,0,0,0|2,0,0]=4 6054 B13R0.188 C=CCCC[C@H](C)OCCNC(=O)N 5bccdacbbc8fc3de7dca1fc8af84e09d [0,2,0,0,0,0|2,0,0]=4 6055 B13R0.188 C=CCCC[C@H](C)OCCOC(=O)C 5f584f85e1407609639886d80ebad563 [0,2,0,0,0,0|2,0,0]=4 6056 B13R0.188 C=CCCC[C@H](C)OCCSC(=O)C 34b1f3b97aa94aa6571f38b248970966 [0,2,0,0,0,0|2,0,0]=4 6057 B13R0.188 C=CCCNC(=O)CCCCC(=O)C 1dada92e61d5185b2a13e2b9b01302c1 [0,2,0,0,0,0|1,0,1]=4 6058 B13R0.188 C=CCCNC(=O)CCCCC(=O)N 83126c9850b65999e3cbb2757e1d921e [0,2,0,0,0,0|1,0,1]=4 6059 B13R0.188 C=CCCNC(=O)NCCCC(=O)O 5ba767c1a5c68613becbf921b55c73e1 [0,2,0,0,0,0|1,0,1]=4 6060 B13R0.188 C=CCCNC(=S)NCCCC(=O)O f2d9085c66b699110b090da92ecc9ea9 [0,2,0,0,0,0|1,0,1]=4 6061 B13R0.188 C=CCNCC(=O)NCCCC(=O)O a5a9bbd72ae49f2adc498f80bb242f0c [0,2,0,0,0,0|1,0,1]=4 6062 B13R0.188 CC(CCCCO)NCCCC(=O)O a726a535697da378eca5c5f4a9f3249f [0,2,0,0,0,0|1,0,1]=4 6063 B13R0.188 CCCCCC(C)COCCC(=O)O f2dcde8cd3125b9901e3d41fcd39a123 [0,2,0,0,0,0|0,0,2]=4 6064 B13R0.188 CCCCCN(C)CCCCC(=O)O 5a6fba36257fb22c191571da0a40ce25 [0,2,0,0,0,0|0,0,2]=4 6065 B13R0.188 CN(CCCC#N)CCCCC(=O)O 548df6f1eb3f8e867592cc9e4e3068ff [0,2,0,0,0,0|1,0,1]=4 6066 B13R0.188 CN(CCCC=O)CCCCC(=O)O 8e396b58ca83ef012e3300ecbe504a14 [0,2,0,0,0,0|1,0,0]=3 6067 B13R0.188 CN(CCCCF)CCCCC(=O)O c2a1258eaf8c677c4ed8455e2e3ce0b6 [0,2,0,0,0,0|1,0,1]=4 6068 B13R0.188 CN(CCCCO)CCCCC(=O)O d742991c6d4b4c477a1f1f86a978af30 [0,2,0,0,0,0|1,0,1]=4 6069 B13R0.188 COCCCN(C)CCCCC(=O)O 0658e72e234ca7cc8bd6ce61515173e8 [0,2,0,0,0,0|1,0,1]=4 6070 B13R0.188 CSCCCN(C)CCCCC(=O)O eb13f6bf68f660b925bc804bbc7cdfd0 [0,2,0,0,0,0|1,0,1]=4 6071 B13R0.345 C=CCCC(C)N(C)CCCC(=O)N 5f0f4dcc078ff0bcea1ee67954ce4913 [0,2,0,0,0,0|2,0,0]=4 6072 B13R0.345 C=CCCC(C)N(C)CCCC(=O)O f346077982191b40957ca24b15c8e833 [0,2,0,0,0,0|1,0,0]=3 6073 B13R0.456 C=CCOC(C)(C)COCCC(=O)O 36799946b94b3de20436ec062d4230b6 [0,2,0,0,0,0|2,0,0]=4 6074 B13R0.21 C=CCC(C)CNCCCS(=O)(=O)O 92bd2687873b1f50c93bf6beecfb92d1 [0,2,0,0,0,0|2,0,0]=4 6075 B13R0.21 C=CCC(C)COCCCS(=O)(=O)O 21bec52dbbcab1d704cdd0ba7f4bee83 [0,2,0,0,0,0|2,0,0]=4 6076 B13R0.21 C=CCC(C)OCCCCS(=O)(=O)O 21b0ad750ad5803d8ee30a7aad007941 [0,2,0,0,0,0|2,0,0]=4 6077 B13R0.21 C=CCC(O)CNCCCS(=O)(=O)O 38489cbe6ee90b501abb47440cd75870 [0,2,0,0,0,0|2,0,0]=4 6078 B13R0.21 C=CC[C@@H](C)OCCCCS(=O)(=O)O 65891238bd6ea0813a321390e09fe9dc [0,2,0,0,0,0|2,0,0]=4 6079 B13R0.21 C=CC[C@H](C)OCCCCS(=O)(=O)O b426d334182836f45cbfa9c341fb82bf [0,2,0,0,0,0|2,0,0]=4 6080 B13R0.196 C=CCCCN(C)CCCS(=O)(=O)O 5a19fa14e40c7ceb56cdcdc635960727 [0,2,0,0,0,0|2,0,0]=4 6081 B13R0.196 C=CCCC[C@H](C)OCCS(=O)(=O)O 0b688f08491b796eeb102359ed825fb7 [0,2,0,0,0,0|2,0,0]=4 6082 B13R0.280 C/C=C/CCCOCCCS(=O)(=O)O 090518f161e60074c89aba0f8f175ed4 [0,2,0,0,0,0|2,0,0]=4 6083 B13R0.280 C/C=C/CCOCCCCS(=O)(=O)O c41f993f0f9266212f5113657cf65fa9 [0,2,0,0,0,0|2,0,0]=4 6084 B13R0.280 C/C=C/CNCCCCCS(=O)(=O)O c55ff8d5bc64a80c450cd59dc2272252 [0,2,0,0,0,0|2,0,0]=4 6085 B13R0.280 C/C=C\CCCNCCCS(=O)(=O)O 93069dc4bcae41f8a1a921a20bee453c [0,2,0,0,0,0|2,0,0]=4 6086 B13R0.280 C/C=C\CCCOCCCS(=O)(=O)O d8fad818ca58b833ca161ac2f2cc19f5 [0,2,0,0,0,0|2,0,0]=4 6087 B13R0.280 C/C=C\CNCCCCCS(=O)(=O)O 53237ed63468281c0254f8a778492f49 [0,2,0,0,0,0|2,0,0]=4 6088 B13R0.280 C=C=CCCOCCCCS(=O)(=O)O f294e3d716f98bd6d1fe444b9da9561a [0,2,0,0,0,0|2,0,0]=4 6089 B13R0.280 C=CCCCCCCNCC(C)(C)O 11e4474515be3ba0f5489d19c7af0a07 [0,2,0,0,0,0|1,0,1]=4 6090 B13R0.280 C=CCCCCCCNCS(=O)(=O)O 186a2e41b82d21bd633dbfdacad51772 [0,2,0,0,0,0|1,0,0]=3 6091 B13R0.280 C=CCCCCCCOCC(C)(C)O 1ebf803e78e3cfacd1375b47624ec371 [0,2,0,0,0,0|1,0,1]=4 6092 B13R0.280 C=CCCCCCCOCS(=O)(=O)C f970546a3de74ad8214310bd76207242 [0,2,0,0,0,0|1,0,1]=4 6093 B13R0.280 C=CCCCCCCOCS(=O)(=O)N 92c02a7de2cfeeae2dd7b8478e9b176e [0,2,0,0,0,0|1,0,1]=4 6094 B13R0.280 C=CCCCCCCOCS(=O)(=O)O c254796424a38f39dfed366743d76781 [0,2,0,0,0,0|1,0,0]=3 6095 B13R0.280 C=CCCCCCNCCC(C)(C)O 72755a89fe4836c96930aa18d53e73f8 [0,2,0,0,0,0|1,0,1]=4 6096 B13R0.280 C=CCCCCCNCCS(=O)(=O)C bacf71a82aba525b3fa95b4e4a5fb675 [0,2,0,0,0,0|1,0,1]=4 6097 B13R0.280 C=CCCCCCNCCS(=O)(=O)N 2dbc066c282b9645a18177ce0b537ef4 [0,2,0,0,0,0|1,0,1]=4 6098 B13R0.280 C=CCCCCCNCCS(=O)(=O)O 210ffee37555f88a72ffa32a22f50c38 [0,2,0,0,0,0|1,0,0]=3 6099 B13R0.280 C=CCCCCCOCCC(C)(C)O 223ac7168df6039bbd9d1c0a41fec4f8 [0,2,0,0,0,0|1,0,1]=4 6100 B13R0.280 C=CCCCCCOCCS(=N)(=O)C 9217484171be0424ddc57c8eabf9ad50 [0,2,0,0,0,0|2,0,0]=4 6101 B13R0.280 C=CCCCCCOCCS(=O)(=O)C fbe04820eda4ad0d4847043d6c396d84 [0,2,0,0,0,0|1,0,1]=4 6102 B13R0.280 C=CCCCCCOCCS(=O)(=O)N 460b10c6d583fdc67e7f22e897444186 [0,2,0,0,0,0|1,0,1]=4 6103 B13R0.280 C=CCCCCCOCCS(=O)(=O)O f02fc49f36e0cd4cf049e4077d2f1eea [0,2,0,0,0,0|1,0,0]=3 6104 B13R0.280 C=CCCCCNCCCC(C)(C)O 056f34ffe54a157847ba8ac64c965eca [0,2,0,0,0,0|1,0,1]=4 6105 B13R0.280 C=CCCCCNCCCS(=O)(=O)C fd44a54980697fcddb1d79c8079235c5 [0,2,0,0,0,0|1,0,1]=4 6106 B13R0.280 C=CCCCCNCCCS(=O)(=O)N 03fedf5c1636e3b8a6a8736619bb2ad4 [0,2,0,0,0,0|1,0,1]=4 6107 B13R0.280 C=CCCCCNCCCS(=O)(=O)O a868c74427188ae976dcacd6ac8e0874 [0,2,0,0,0,0|1,0,0]=3 6108 B13R0.280 C=CCCCCNCCOS(=O)(=O)O cb2aa11991427c053ffdcd066244c85b [0,2,0,0,0,0|2,0,0]=4 6109 B13R0.280 C=CCCCCOCCCC(C)(C)O ccbcfbdb867da40bfc04c25b38c772f8 [0,2,0,0,0,0|1,0,1]=4 6110 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 1a5f157bd2f8e3d060bfe6bdacd84343 [0,2,0,0,0,0|1,0,1]=4 6111 B13R0.280 C=CCCCCOCCCS(=O)(=O)N 3991e433267281c32d4a2074786b6df2 [0,2,0,0,0,0|1,0,1]=4 6112 B13R0.280 C=CCCCCOCCCS(=O)(=O)O 4e874e94369f7b972d7abae5014b64d7 [0,2,0,0,0,0|1,0,0]=3 6113 B13R0.280 C=CCCCNCCCCS(=O)(=O)C fa46f7624532ba5dea833d111df28e4d [0,2,0,0,0,0|1,0,1]=4 6114 B13R0.280 C=CCCCNCCCCS(=O)(=O)O 740fd788631b65c1e42858c08277d681 [0,2,0,0,0,0|1,0,0]=3 6115 B13R0.280 C=CCCCOCCCCS(=O)(=O)C 17413597addeb8da8ea4bb834b10f851 [0,2,0,0,0,0|1,0,1]=4 6116 B13R0.280 C=CCCCOCCCCS(=O)(=O)O 5c0c3b578e07782f362ee88b7dd6ef6c [0,2,0,0,0,0|1,0,0]=3 6117 B13R0.280 C=CCCCOCCCNS(=O)(=O)O e71e4471b08759e3f10d19e0c2041c1b [0,2,0,0,0,0|2,0,0]=4 6118 B13R0.280 C=CCCNCCCCCC(C)(C)O e6e8cc45d413982a6f0ab069a4b9dc49 [0,2,0,0,0,0|1,0,1]=4 6119 B13R0.280 C=CCCNCCCCCS(=O)(=O)C 90b5143d2e4f94da456c2500d1d36823 [0,2,0,0,0,0|1,0,1]=4 6120 B13R0.280 C=CCCNCCCCCS(=O)(=O)O 367b1ff75cf586178f062502925478e5 [0,2,0,0,0,0|1,0,0]=3 6121 B13R0.280 C=CCCOCCCCCC(C)(C)O 3947c631c6458ea56ea28e9f932cbd08 [0,2,0,0,0,0|1,0,1]=4 6122 B13R0.280 C=CCCOCCCCCS(=O)(=O)C 46e6df62b86d14233c9722d3b1041fd8 [0,2,0,0,0,0|1,0,1]=4 6123 B13R0.280 C=CCNCCCCCCS(=O)(=O)O f6d05a1b6ef21bb29741992d2ff53936 [0,2,0,0,0,0|1,0,0]=3 6124 B13R0.280 C=CCOCCNCCCS(=O)(=O)O ea61dc04274398dff9e1952eae4fa48b [0,2,0,0,0,0|2,0,0]=4 6125 B13R0.280 C=CCOCCOCCCS(=O)(=O)O 30f299fc5b0d68e17b5cb129359c71c1 [0,2,0,0,0,0|2,0,0]=4 6126 B13R0.280 C=COCCCCOCCS(=O)(=O)O 28c762b448796ad541e6cf3cfbbd99de [0,2,0,0,0,0|2,0,0]=4 6127 B13R0.280 C=COCCCNCCCS(=O)(=O)O 1402bb5792c6ef380420ab89bbb76a97 [0,2,0,0,0,0|2,0,0]=4 6128 B13R0.280 C=COCCNCCCCS(=O)(=O)O 92bc5329a54c335cbca484ac98e00716 [0,2,0,0,0,0|2,0,0]=4 6129 B13R0.280 C=COCCOCCCCS(=O)(=O)O 7ce0f27901f99f8a5b2ca2e402faf14a [0,2,0,0,0,0|2,0,0]=4 6130 B13R0.280 CC=CCCCOCCCS(=O)(=O)O ab186c5f2c016a88c52c893d3cbb00d5 [0,2,0,0,0,0|2,0,0]=4 6131 B13R0.280 O=CCCCCCCNCS(=O)(=O)O b3fe1a9144cab8009538277cd417aac9 [0,2,0,0,0,0|2,0,0]=4 6132 B13R0.280 O=CCCCCCNCCS(=O)(=O)O dfd77f2e8d8457ffdcceda0191c44637 [0,2,0,0,0,0|2,0,0]=4 6133 B13R0.280 O=CCCCCCOCCS(=O)(=O)O 9bef5eab116068446b63a250440767c3 [0,2,0,0,0,0|2,0,0]=4 6134 B13R0.280 O=CCCCCNCCCS(=O)(=O)O f56e5eeac7c53f0017efceb6840e42ac [0,2,0,0,0,0|2,0,0]=4 6135 B13R0.280 O=CCCCCOCCCS(=O)(=O)O f06f6b565fdb77aa1292a8d4d668ee0b [0,2,0,0,0,0|2,0,0]=4 6136 B13R0.280 O=CCCCOCCCCS(=O)(=O)O 946d68b180ff5909a7ea6a1079f4933a [0,2,0,0,0,0|2,0,0]=4 6137 B13R0.280 O=CCCNCCCCCS(=O)(=O)O 438dd2e43f017c74782c931aff854feb [0,2,0,0,0,0|2,0,0]=4 6138 B13R0.280 O=CCNCCCCCCS(=O)(=O)O 9fd579599f49bbc23c8e87a81270d3fd [0,2,0,0,0,0|2,0,0]=4 6139 B13R0.280 O=S(=O)(O)CCCCCNC/C=C/Cl 74373c634947fcd065968a5537382c14 [0,2,0,0,0,0|2,0,0]=4 6140 B13R0.280 O=S(=O)(O)CCCCCNC/C=C\Cl 7c8bd30db68ecab053557e772da33eb5 [0,2,0,0,0,0|2,0,0]=4 6141 B13R0.280 O=S(=O)(O)CCCCCNC/C=C\O cadaf05f22546a68f389f29a11bd2703 [0,2,0,0,0,0|2,0,0]=4 6142 B13R0.431 C=CC(C)COCCCCS(=O)(=O)O 6f0c4085591498d945bb667c2992e899 [0,2,0,0,0,0|2,0,0]=4 6143 B13R0.431 C=CC(C)NCCCCCS(=O)(=O)O 3f796b8e8875baca1f2c319cce43f5df [0,2,0,0,0,0|2,0,0]=4 6144 B13R0.431 C=CC(O)CNCCCCS(=O)(=O)O 3ba6788ed2b965d2ffb1c60f628adb1e [0,2,0,0,0,0|2,0,0]=4 6145 B13R0.442 C=C(Br)CCOCCCCS(=O)(=O)O 54b6d219844ed8c91aadd09ed82ef742 [0,2,0,0,0,0|2,0,0]=4 6146 B13R0.442 C=C(Br)CNCCCCCS(=O)(=O)O 80715a1874c852048de7d99565bbeaa1 [0,2,0,0,0,0|2,0,0]=4 6147 B13R0.442 C=C(C)CCCNCCCS(=O)(=O)O 75bc2b36386395accf27ce79acb5bdba [0,2,0,0,0,0|2,0,0]=4 6148 B13R0.442 C=C(C)CCCOCCCS(=O)(=O)O 26cba3c85cab2e708ab29756ef5439f7 [0,2,0,0,0,0|2,0,0]=4 6149 B13R0.442 C=C(C)CCNCCCCS(=O)(=O)O b2233f5ebbb8a5a6c38ce0e3f8126b8b [0,2,0,0,0,0|2,0,0]=4 6150 B13R0.442 C=C(C)CCOCCCCS(=O)(=O)O 9e853bbacecfe2719c33a4118ff5ca5f [0,2,0,0,0,0|2,0,0]=4 6151 B13R0.442 C=C(C)CNCCCCCS(=O)(=O)O 4b0a2cf871f83cdfc4531d121fa2558d [0,2,0,0,0,0|2,0,0]=4 6152 B13R0.442 C=C(Cl)CNCCCCCS(=O)(=O)O 0c916dc3754834dbd3573d2207ddc2d2 [0,2,0,0,0,0|2,0,0]=4 6153 B13R0.442 C=C(F)CNCCCCCS(=O)(=O)O 36fccdb0d16bc581db9fe25129e99bf8 [0,2,0,0,0,0|2,0,0]=4 6154 B13R0.1172 C=CCCCCC(C)OCS(=O)(=O)O 357eb3e4631468090929cc0928e7ad71 [0,2,0,0,0,0|2,0,0]=4 6155 B13R0.1172 C=CCCCCN(C)CCS(=O)(=O)O ca4a7465fbf6dfc61b2208ac4c3bdf45 [0,2,0,0,0,0|2,0,0]=4 6156 B13R0.1172 C=CCCCC[C@@H](C)OCS(=O)(=O)O 470876fa74a0ce913bbc6cca6232c9ef [0,2,0,0,0,0|2,0,0]=4 6157 B13R0.1215 C=CCCCCOCCS(=O)(=O)OC 728c5b31473d79f73b2674ed2e45643c [0,2,0,0,0,0|2,0,0]=4 6158 B13R0.88 C#CCN(C)CCCCCCC(=O)O 45b06de87c68b6aba6eeb42f93229349 [0,2,0,0,0,0|0,0,2]=4 6159 B13R0.88 C/C=C/C(C)OCCCCCC(=O)C ee58304895fb30ff42f43f52d5b94e07 [0,2,0,0,0,0|2,0,0]=4 6160 B13R0.88 C/C=C/C(C)OCCCCCC(=O)N 4c5aa63455bb0236d0d7a0da3b23a42d [0,2,0,0,0,0|2,0,0]=4 6161 B13R0.88 C/C=C/C(C)OCCCOCC(=O)O cf04947bcdcc0d8cee025f92e19542cf [0,2,0,0,0,0|2,0,0]=4 6162 B13R0.88 C/C=C/C(C)OCCOCCC(=O)O 86eda004bbca9174f9643bbf8df8ab06 [0,2,0,0,0,0|2,0,0]=4 6163 B13R0.88 C=CCC(=O)NCCCCCC(=O)N bd225e4093b171dfb447cd322b154bcd [0,2,0,0,0,0|1,0,1]=4 6164 B13R0.88 C=CCC(C)CNCCCCC(=O)N 46edc0f90dad5d9719af3ad13460a357 [0,2,0,0,0,0|1,0,0]=3 6165 B13R0.88 C=CCC(C)CNCCCCC(=O)O 342e004756421e89c86fff6c0cbe4fe8 [0,2,0,0,0,0|0,0,0]=2 6166 B13R0.88 C=CCC(C)CNCCCNC(=O)C f83752fe502728941c866da70c9230ad [0,2,0,0,0,0|2,0,0]=4 6167 B13R0.88 C=CCC(C)CNCCOCC(=O)O 949eb5295226c96d59ca0cd4cda592bc [0,2,0,0,0,0|1,0,0]=3 6168 B13R0.88 C=CCC(C)CNCCSCC(=O)O 6bc62db511ff107c68d4b36f110a6b62 [0,2,0,0,0,0|1,0,0]=3 6169 B13R0.88 C=CCC(C)COCCC#CC(=O)O 9764dd2a2c295b6f6a8a36a7f53cdb97 [0,2,0,0,0,0|0,0,2]=4 6170 B13R0.88 C=CCC(C)COCCCCC(=O)C f5a89e4cb250b4c64b7c2acea7004f19 [0,2,0,0,0,0|1,0,0]=3 6171 B13R0.88 C=CCC(C)COCCCCC(=O)N e4222533531f579072702fdef79a605e [0,2,0,0,0,0|1,0,0]=3 6172 B13R0.88 C=CCC(C)COCCCCC(=O)O d279bd724b789fb0606ff097f3083883 [0,2,0,0,0,0|0,0,0]=2 6173 B13R0.88 C=CCC(C)COCCCC[N+](=O)[O-] a691269e60df8d0753d75d2aa8777c3c [0,2,0,0,0,0|1,0,1]=4 6174 B13R0.88 C=CCC(C)COCCCNC(=O)C dc0c5f745a018bb594107398ae3e874f [0,2,0,0,0,0|2,0,0]=4 6175 B13R0.88 C=CCC(C)COCCCOC(=O)C af26eb21f3930391adfd1480a32fe465 [0,2,0,0,0,0|2,0,0]=4 6176 B13R0.88 C=CCC(C)COCCCSC(=O)C b576aae43bef6c15ae43b217ebfffb2e [0,2,0,0,0,0|2,0,0]=4 6177 B13R0.88 C=CCC(C)COCCOCC(=O)N 8bc78ed85ea0feb2ba5f6083abb40f8d [0,2,0,0,0,0|2,0,0]=4 6178 B13R0.88 C=CCC(C)COCCOCC(=O)O 80109748e4db010ae93770be2781b274 [0,2,0,0,0,0|1,0,0]=3 6179 B13R0.88 C=CCC(C)COCCSCC(=O)N 4a0fbe26488cf3b5fb156594ce097b45 [0,2,0,0,0,0|2,0,0]=4 6180 B13R0.88 C=CCC(C)OCCCCCC(=O)C b300e43a52b997f6b5af69b7ea74cfb3 [0,2,0,0,0,0|1,0,0]=3 6181 B13R0.88 C=CCC(C)OCCCCCC(=O)N c514364c6e6950c786874103d17d9d75 [0,2,0,0,0,0|1,0,0]=3 6182 B13R0.88 C=CCC(C)OCCCCOC(=O)C 8b1f3726d4ee98426918e6113fa353a7 [0,2,0,0,0,0|2,0,0]=4 6183 B13R0.88 C=CCC(C)OCCCCSC(=O)C b49a39395cae3b374b0fbb386ab7930b [0,2,0,0,0,0|2,0,0]=4 6184 B13R0.88 C=CCC(C)OCCCOCC(=O)O 445b3a0039788c621d3bc9f0cb67f3ed [0,2,0,0,0,0|1,0,0]=3 6185 B13R0.88 C=CCC(C)OCCOCCC(=O)O 3aa1796d28886dea20b8f3d79fffe7d5 [0,2,0,0,0,0|1,0,0]=3 6186 B13R0.88 C=CCC(O)CNCCCCC(=O)C 89b46b6ffda36bb12682fc133b5f8480 [0,2,0,0,0,0|1,0,0]=3 6187 B13R0.88 C=CCC(O)CNCCCCC(=O)N 22536f77d486d43d700a03d086759102 [0,2,0,0,0,0|1,0,0]=3 6188 B13R0.88 C=CCC(O)CNCCCCC(=O)O f35bdf46c41f8b05831cb2af619b52ee [0,2,0,0,0,0|0,0,0]=2 6189 B13R0.88 C=CCC(O)CNCCCCC(C)O 43e5855f8c4b39bbd99160e7e257d4bb [0,2,0,0,0,0|1,0,1]=4 6190 B13R0.88 C=CCC(O)CNCCCC[C@@H](C)O 9d4bd9048e7f316a8a4ec1b166763247 [0,2,0,0,0,0|1,0,1]=4 6191 B13R0.88 C=CCC(O)CNCCCNC(=O)C 921484b3db665eaf764994d0ea2f740c [0,2,0,0,0,0|2,0,0]=4 6192 B13R0.88 C=CCC(O)CNCCCOC(=O)C c333228efebae0620d172a4ec2362558 [0,2,0,0,0,0|2,0,0]=4 6193 B13R0.88 C=CCC(O)CNCCCSC(=O)C f7cdb3a9601c1ee98421f80f970b13ed [0,2,0,0,0,0|2,0,0]=4 6194 B13R0.88 C=CCC(O)CNCCOCC(=O)N 9e18c88f165bba1a1b2dd887a91042bf [0,2,0,0,0,0|2,0,0]=4 6195 B13R0.88 C=CCC(O)CNCCOCC(=O)O 8bda7d219c15a76ae464aef0bcd128b2 [0,2,0,0,0,0|1,0,0]=3 6196 B13R0.88 C=CCN(C)CCCCCCC(=O)O a30ce3567070f7a2ca7c9ae4270e4c29 [0,2,0,0,0,0|0,0,0]=2 6197 B13R0.88 C=CCN(C)CCCCCOC(=O)C 71756898bc84db36d25af143aba9f4a5 [0,2,0,0,0,0|2,0,0]=4 6198 B13R0.88 C=CCN(C)CCOCCCC(=O)C 77e15f28e3de3ffb55937b15bba3dc04 [0,2,0,0,0,0|2,0,0]=4 6199 B13R0.88 C=CCN(C)CCOCCCC(=O)N dcb0c991f58cc6b9071b45be97bc9a18 [0,2,0,0,0,0|2,0,0]=4 6200 B13R0.88 C=CCN(C)CCOCCCC(=O)O 34aaf82dad06045f71c3eb25fc9e1e72 [0,2,0,0,0,0|1,0,0]=3 6201 B13R0.88 C=CC[C@@H](C)OCCCCCC(=O)C 176e83becf5356ff677cb9e137da0883 [0,2,0,0,0,0|1,0,0]=3 6202 B13R0.88 C=CC[C@@H](C)OCCCCCC(=O)N 8d05eda49ae61915cf55ce65c1ff6404 [0,2,0,0,0,0|1,0,0]=3 6203 B13R0.88 C=CC[C@@H](C)OCCCCOC(=O)C 963200c1e189e76e8ef043adea193b99 [0,2,0,0,0,0|2,0,0]=4 6204 B13R0.88 C=CC[C@@H](C)OCCCCSC(=O)C b3bea86aef781422f36468efd304d037 [0,2,0,0,0,0|2,0,0]=4 6205 B13R0.88 C=CC[C@@H](C)OCCCOCC(=O)O 6c97f1869b9020dd8a051b1e3e1f332b [0,2,0,0,0,0|1,0,0]=3 6206 B13R0.88 C=CC[C@@H](C)OCCOCCC(=O)O e37135d43ff1e0929e22ae57248dcdd4 [0,2,0,0,0,0|1,0,0]=3 6207 B13R0.88 C=CC[C@H](C)OCCCCCC(=O)C 62cf1249854cb9f3f742c3f0f82b729f [0,2,0,0,0,0|1,0,0]=3 6208 B13R0.88 C=CC[C@H](C)OCCCCCC(=O)N 98d07552267cbe6a06b9cc8ec05f7a6d [0,2,0,0,0,0|1,0,0]=3 6209 B13R0.88 C=CC[C@H](C)OCCCCOC(=O)C 6de2874d9cf15aff5918886db4bb6311 [0,2,0,0,0,0|2,0,0]=4 6210 B13R0.88 C=CC[C@H](C)OCCCCSC(=O)C 334b8a5930f85b4f455982e923985ff6 [0,2,0,0,0,0|2,0,0]=4 6211 B13R0.88 C=CC[C@H](C)OCCCOCC(=O)O cb6fdf58f72ddbda8197b8dd512ce2d5 [0,2,0,0,0,0|1,0,0]=3 6212 B13R0.88 C=CC[C@H](C)OCCOCCC(=O)O 612b1b77b015fbd316abfa4e6eb7e56d [0,2,0,0,0,0|1,0,0]=3 6213 B13R0.88 C=COC(=O)CNCCCCC(=O)O a38865d6823db834a19f8c2df0545936 [0,2,0,0,0,0|1,0,1]=4 6214 B13R0.88 C=COC(=O)COCCCCC(=O)O 6a6c03cf6e4e73a7ed8e3d1b36918445 [0,2,0,0,0,0|1,0,1]=4 6215 B13R0.88 CC(CC#N)NCCCCCC(=O)O 83a6d7c3034f6f4dd99e2c60aadf7c04 [0,2,0,0,0,0|1,0,1]=4 6216 B13R0.88 CC(CC#N)OCCCCCC(=O)O 8f2115c88b4c9a2b617bb5604c811c31 [0,2,0,0,0,0|1,0,1]=4 6217 B13R0.88 CC(CCCCCCC(=O)O)OCF 2eb0795fcb3b347ce38708f7730863e4 [0,2,0,0,0,0|1,0,1]=4 6218 B13R0.88 CC(CCO)CNCCCCC(=O)O 5bd8860eb2a2a53e1b61ceef80d00f2d [0,2,0,0,0,0|1,0,1]=4 6219 B13R0.88 CC(CCO)NCCCCCC(=O)O ef7105ce4330619dfc37f790d3d3fb3f [0,2,0,0,0,0|1,0,1]=4 6220 B13R0.88 CC=CC(C)OCCCCCC(=O)C cf70dd149e869e21efe0c5c6439bf54c [0,2,0,0,0,0|2,0,0]=4 6221 B13R0.88 CC=CC(C)OCCCCCC(=O)N 2a51e0480ee33cd8d63ac0535f63a306 [0,2,0,0,0,0|2,0,0]=4 6222 B13R0.88 CC=CC(C)OCCCOCC(=O)O a8065a7d1710004962746a478adf0d34 [0,2,0,0,0,0|2,0,0]=4 6223 B13R0.88 CC=CC(C)OCCOCCC(=O)O 15ffd2fcc1f22a7d158584c2760e9c7c [0,2,0,0,0,0|2,0,0]=4 6224 B13R0.88 CCCC(C)CCCOCCC(=O)O 6f8fb9722a4f93a46c062dcdbe574f8a [0,2,0,0,0,0|0,0,2]=4 6225 B13R0.88 CCCC(C)CCOCCCC(=O)O d955a35c876b1bc9664a027e2100bdce [0,2,0,0,0,0|0,0,2]=4 6226 B13R0.88 CCCC(C)CNCCCCC(=O)O 462fdb7ba95f264ab88df683cba002c3 [0,2,0,0,0,0|0,0,2]=4 6227 B13R0.88 CCCC(C)COCCCCC(=O)O a76f6c36ae6419ed5923269685d8f284 [0,2,0,0,0,0|0,0,2]=4 6228 B13R0.88 CCCC(C)NCCCCCC(=O)O bcee38a7bf0dc6ed80fc0abeb3567072 [0,2,0,0,0,0|0,0,2]=4 6229 B13R0.88 CCCC(C)OCCCCCC(=O)O 87636ff0b23c01bb4d48fe6d13ebc4d8 [0,2,0,0,0,0|0,0,2]=4 6230 B13R0.88 CCCC(O)CNCCCCC(=O)O 1895969de1f94a4add3a74e488e695e3 [0,2,0,0,0,0|0,0,2]=4 6231 B13R0.88 CCCC(S)CCOCCCC(=O)O 1ddb6e284e99154f683a92cce44a0053 [0,2,0,0,0,0|0,0,2]=4 6232 B13R0.88 CCCN(C)CCCCCCC(=O)O b0f59cfd36622ab723bc1e297a452899 [0,2,0,0,0,0|0,0,2]=4 6233 B13R0.88 CCOC(C)CCCCCCC(=O)O 0895d603eb38158c32cc45b10a690085 [0,2,0,0,0,0|0,0,2]=4 6234 B13R0.88 CN(CC#N)CCCCCCC(=O)O fc5bcb9fdd71574b2aa6fbd7a4dfb0a2 [0,2,0,0,0,0|1,0,1]=4 6235 B13R0.88 CN(CC=O)CCCCCCC(=O)O e5f400e9d1a51cb9b3fff7b1b4835052 [0,2,0,0,0,0|1,0,0]=3 6236 B13R0.88 CN(CCF)CCCCCCC(=O)O a71018f9d72c82766b14cea229527159 [0,2,0,0,0,0|1,0,1]=4 6237 B13R0.88 CN(CCO)CCCCCCC(=O)O 661c83b3f126f00fe412b2ae3220c3a4 [0,2,0,0,0,0|1,0,1]=4 6238 B13R0.88 CN(CCS)CCCCCCC(=O)O fa0b036c08517598b654a8ff199c9cc6 [0,2,0,0,0,0|1,0,1]=4 6239 B13R0.88 COCC(C)NCCCCCC(=O)O e4b7402bbba39cce8cfb56dbe689caf2 [0,2,0,0,0,0|1,0,1]=4 6240 B13R0.88 COCC(C)OCCCCCC(=O)O a87a24c295a5cb86f81acd5e6a29f8a9 [0,2,0,0,0,0|1,0,1]=4 6241 B13R0.88 COCC(O)CNCCCCC(=O)O 93c6fc40c4f765752c2dc29a288cd440 [0,2,0,0,0,0|1,0,1]=4 6242 B13R0.88 COCN(C)CCCCCCC(=O)O 51ac2eb96136d510d0445cbe53d4ed95 [0,2,0,0,0,0|1,0,1]=4 6243 B13R0.88 COC[C@@H](O)CNCCCCC(=O)O 35b12ab28f833cc6d7f3537b73a0da3e [0,2,0,0,0,0|1,0,1]=4 6244 B13R0.88 CSCN(C)CCCCCCC(=O)O 7b19fcccd3c658735c5afc6faa10a289 [0,2,0,0,0,0|1,0,1]=4 6245 B13R0.88 C[C@@H](CCO)NCCCCCC(=O)O 76f5842c740a46d22146d99684a0b75e [0,2,0,0,0,0|1,0,1]=4 6246 B13R0.88 C[C@H](CCO)NCCCCCC(=O)O 583b28e1ae83c2447ea921dfb2a6b8c2 [0,2,0,0,0,0|1,0,1]=4 6247 B13R0.88 N#CCC(O)CNCCCCC(=O)O 4f7c04290e6a5f5623a4c1139443e9da [0,2,0,0,0,0|1,0,1]=4 6248 B13R0.88 N#CC[C@@H](O)CNCCCCC(=O)O f536102ddedbbfeca9166eaa51e9267f [0,2,0,0,0,0|1,0,1]=4 6249 B13R0.88 N#CC[C@H](O)CNCCCCC(=O)O 62299df6f525e8a53b69f7abb98c3f88 [0,2,0,0,0,0|1,0,1]=4 6250 B13R0.88 O=C(O)CCCCOC[C@@H](O)CCO bcf9c98985201c49adc7b938f7aadb0a [0,2,0,0,0,0|1,0,1]=4 6251 B13R0.101 C=CC(C)N(C)CCOCCC(=O)O b83f94666157fe564c949c197c890c6b [0,2,0,0,0,0|2,0,0]=4 6252 B13R0.101 C=C[C@@H](C)[C@@H](C)OCCCCC(=O)C f4dbe33c48ce5bef0476a56b11cf218e [0,2,0,0,0,0|2,0,0]=4 6253 B13R0.101 C=C[C@@H](C)[C@@H](C)OCCCCC(=O)N 5f51d31c274a09f0abcfd8f141ab981b [0,2,0,0,0,0|2,0,0]=4 6254 B13R0.101 C=C[C@@H](C)[C@@H](C)OCCOCC(=O)O 1388ebf19cddcfb479bb926ebaddd129 [0,2,0,0,0,0|2,0,0]=4 6255 B13R0.101 C=C[C@@H](C)[C@H](C)OCCCCC(=O)C 6bdd84c80b6678045db56f1d63abc6c1 [0,2,0,0,0,0|2,0,0]=4 6256 B13R0.101 C=C[C@@H](C)[C@H](C)OCCCCC(=O)N 978ad9b2373420fb17c6692f4fefbe88 [0,2,0,0,0,0|2,0,0]=4 6257 B13R0.101 C=C[C@@H](C)[C@H](C)OCCOCC(=O)O eef13bb124471d781db480e2a624cf8e [0,2,0,0,0,0|2,0,0]=4 6258 B13R0.101 C=C[C@H](C)[C@@H](C)OCCCCC(=O)C 4328c4a036f6838ef47cc0b26b92dd06 [0,2,0,0,0,0|2,0,0]=4 6259 B13R0.101 C=C[C@H](C)[C@@H](C)OCCCCC(=O)N 5d3b9916fd758131cffc035af1cfc07e [0,2,0,0,0,0|2,0,0]=4 6260 B13R0.101 C=C[C@H](C)[C@@H](C)OCCOCC(=O)O e918a9c948c8d6b730da856771944252 [0,2,0,0,0,0|2,0,0]=4 6261 B13R0.101 C=C[C@H](C)[C@H](C)OCCCCC(=O)C 7f089bdcb1de73d5bfc4d609d9586dc8 [0,2,0,0,0,0|2,0,0]=4 6262 B13R0.101 C=C[C@H](C)[C@H](C)OCCCCC(=O)N a97db9424269ded83f77ea3e4ddbef2c [0,2,0,0,0,0|2,0,0]=4 6263 B13R0.101 C=C[C@H](C)[C@H](C)OCCOCC(=O)O 545cbe0dc408b078b4ad1d79d2ed593a [0,2,0,0,0,0|2,0,0]=4 6264 B13R0.180 C=C(Br)CCOCCCC(C)C(=O)O 9b5bc006078e31d2b864e9e6f912a7aa [0,2,0,0,0,0|1,0,0]=3 6265 B13R0.180 C=C(Br)CNCCSCC(C)C(=O)O ae039abf8e3c2c58413a513208cf45f7 [0,2,0,0,0,0|2,0,0]=4 6266 B13R0.180 C=C(C)CCCNCCC(O)C(=O)O c39e82ff400d5da2b4652731f77bc5ff [0,2,0,0,0,0|1,0,0]=3 6267 B13R0.180 C=C(C)CCCNCC[C@H](O)C(=O)O 4eb9e430e5b31b7da4f1f7fa92af6c33 [0,2,0,0,0,0|1,0,0]=3 6268 B13R0.180 C=C(C)CCNCCCC(C)C(=O)O cb0610d66b78ce50ff336404d85c9c08 [0,2,0,0,0,0|1,0,0]=3 6269 B13R0.180 C=C(C)CCOCCCC(C)C(=O)O 78283e219c7493f2e4a5904ae1927ef9 [0,2,0,0,0,0|1,0,0]=3 6270 B13R0.180 C=C(C)CNCCSCC(C)C(=O)O 54ed6838384846163d933bd89aa2fe86 [0,2,0,0,0,0|2,0,0]=4 6271 B13R0.180 C=C(C)COCCOCC(C)C(=O)O 1afad3fc343fe5a2aa6b6c9dc7594014 [0,2,0,0,0,0|2,0,0]=4 6272 B13R0.180 C=C(Cl)CNCCSCC(C)C(=O)O 472b402c56ebb1eed32c9dae07894765 [0,2,0,0,0,0|2,0,0]=4 6273 B13R0.180 C=C(F)CNCCSCC(C)C(=O)O 3a99133d20dd12dabf468b2a3de40889 [0,2,0,0,0,0|2,0,0]=4 6274 B13R0.180 C=C(I)[C@H](C)CNCCCCC(=O)N 03585670f03436847fe6ed30651956f7 [0,2,0,0,0,0|2,0,0]=4 6275 B13R0.180 C=C(I)[C@H](C)CNCCCCC(=O)O b49f54465733950fe363cdb7750e7882 [0,2,0,0,0,0|1,0,0]=3 6276 B13R0.180 C=C(I)[C@H](C)CNCCOCC(=O)O cd99ac16ecfec3cdc24857801efa3b8a [0,2,0,0,0,0|2,0,0]=4 6277 B13R0.180 C=C(I)[C@H](C)CNCCSCC(=O)O eba119a0e2bc57d273215d207049dce3 [0,2,0,0,0,0|2,0,0]=4 6278 B13R0.180 C=C(I)[C@H](C)COCCCCC(=O)C 7f0458fd8b71b02ac34708ba84082c3e [0,2,0,0,0,0|2,0,0]=4 6279 B13R0.180 C=C(I)[C@H](C)COCCCCC(=O)N 28fe90381cffc447c68301d0fedea721 [0,2,0,0,0,0|2,0,0]=4 6280 B13R0.180 C=C(I)[C@H](C)COCCCCC(=O)O da5799da3e32c6b88fba6a6717330e16 [0,2,0,0,0,0|1,0,0]=3 6281 B13R0.180 C=C(I)[C@H](C)COCCOCC(=O)O 32e6339b5eb017055ab3a804076d8f8f [0,2,0,0,0,0|2,0,0]=4 6282 B13R0.180 CC(=O)C(C)NCCCCCC(=O)O 69ddac5877a6518d67ac33c75dd56431 [0,2,0,0,0,0|1,0,1]=4 6283 B13R0.180 CC(=O)CCCCCNC(C)C(=O)O a177d63caeb09d7ee50062be8c113301 [0,2,0,0,0,0|1,0,1]=4 6284 B13R0.180 CC(=O)CCCCCNC(O)C(=O)O 76cba0cdbbbf181fb5783528abf68f63 [0,2,0,0,0,0|1,0,1]=4 6285 B13R0.180 CC(=O)CCCCCN[C@@H](C)C(=O)O 04f0a63dd745710b37347932cf5fe8dd [0,2,0,0,0,0|1,0,1]=4 6286 B13R0.180 CC(=O)CCCCCN[C@H](C)C(=O)O 5ff71e074ad87dbb586a55bea8c490e3 [0,2,0,0,0,0|1,0,1]=4 6287 B13R0.180 CC(=O)CCCCCOC(C)C(=O)O d8344f4ffef35539a43a6f9c0e9c69fc [0,2,0,0,0,0|1,0,1]=4 6288 B13R0.180 CC(=O)CCCCCO[C@@H](C)C(=O)O de69450a0d889627c1851bc40ef123e1 [0,2,0,0,0,0|1,0,1]=4 6289 B13R0.180 CC(=O)CCCCCO[C@H](C)C(=O)O 00b626ce7eb639e1467e2bc75d44e49b [0,2,0,0,0,0|1,0,1]=4 6290 B13R0.180 CC(=O)CCCCNCC(C)C(=O)O 8f69dc2186dc18f982ba9d55ceb8ca8f [0,2,0,0,0,0|1,0,1]=4 6291 B13R0.180 CC(=O)CCCCNCC(F)C(=O)O a919b057b71d18c9729e0d3a89716842 [0,2,0,0,0,0|1,0,1]=4 6292 B13R0.180 CC(=O)CCCCNCC(O)C(=O)O 025dae0714e926c36aebb90a3e830930 [0,2,0,0,0,0|1,0,1]=4 6293 B13R0.180 CC(=O)CCCCNC[C@@H](C)C(=O)O e824f7500ada446a5adb29ba54430b3c [0,2,0,0,0,0|1,0,1]=4 6294 B13R0.180 CC(=O)CCCCNC[C@@H](O)C(=O)O 24f4c7d83b37cc787baa93b12394fdd4 [0,2,0,0,0,0|1,0,1]=4 6295 B13R0.180 CC(=O)CCCCNC[C@H](C)C(=O)O 10b247997e92ba42c1e464f487a87401 [0,2,0,0,0,0|1,0,1]=4 6296 B13R0.180 CC(=O)CCCCNC[C@H](O)C(=O)O d3fca6afc06264566ebcbdeec1797d64 [0,2,0,0,0,0|1,0,1]=4 6297 B13R0.180 CC(=O)CCCCOCC(C)C(=O)O 170185d74a69f32e58b98d6fd44d17fb [0,2,0,0,0,0|1,0,1]=4 6298 B13R0.180 CC(=O)CCCCOC[C@@H](C)C(=O)O 4103ec1b72096dfaeefbc5b63909aba2 [0,2,0,0,0,0|1,0,1]=4 6299 B13R0.180 CC(=O)CCCCOC[C@H](C)C(=O)O 3ad626b09b0e6c62d8fb578a948caf78 [0,2,0,0,0,0|1,0,1]=4 6300 B13R0.180 CC(=O)CCCNCCC(F)C(=O)O 3a1235478f59043919f7236619524fec [0,2,0,0,0,0|1,0,1]=4 6301 B13R0.180 CC(=O)CCCNCCC(O)C(=O)O c8e7d7105a18a5c126281845edca50af [0,2,0,0,0,0|1,0,1]=4 6302 B13R0.180 CC(=O)CCCNCC[C@H](O)C(=O)O c9dd38291f8aba515ac4bc683c8da3a5 [0,2,0,0,0,0|1,0,1]=4 6303 B13R0.180 CC(=O)CCOCCCC(C)C(=O)O 65c29076e386aa6215110d15ee4dd821 [0,2,0,0,0,0|1,0,1]=4 6304 B13R0.180 CC(CCCNCCC(=O)N)C(=O)O e67dde9dada60922aac22d6be52b503e [0,2,0,0,0,0|2,0,0]=4 6305 B13R0.180 CC(CCCNCCC(=O)O)C(=O)O e8a95117b195be04dcfae528122a39b8 [0,2,0,0,0,0|2,0,0]=4 6306 B13R0.180 CC(CCCNCCC(=S)N)C(=O)O a611d083706dbde83b447c87928dd4e1 [0,2,0,0,0,0|2,0,0]=4 6307 B13R0.180 CC(CCCOCCC(=O)N)C(=O)O f787dad6d1935a22469a9445eb7ff86c [0,2,0,0,0,0|2,0,0]=4 6308 B13R0.180 CC(CCCOCCC(=O)O)C(=O)O a39dcc864cc33d45def7045087107144 [0,2,0,0,0,0|2,0,0]=4 6309 B13R0.180 CC(CNCCCCC(=O)N)C(=O)O 77a1d9da1055ee7604cea0dbe21b96ab [0,2,0,0,0,0|2,0,0]=4 6310 B13R0.180 CC(CNCCCCC(=O)O)C(=O)O 0b334f02d596b40c9094915b9e68a282 [0,2,0,0,0,0|2,0,0]=4 6311 B13R0.180 CC(COCCCCC(=O)N)C(=O)O d5ae998e4c5288ed8382785b0b0b9af1 [0,2,0,0,0,0|2,0,0]=4 6312 B13R0.180 CC(COCCCCC(=O)O)C(=O)O 8f59e639ea9c1e83748267b47e42c510 [0,2,0,0,0,0|2,0,0]=4 6313 B13R0.180 CC(NCCCCCC(=O)N)C(=O)O 2addccf32313af0f600eaa63300a21de [0,2,0,0,0,0|2,0,0]=4 6314 B13R0.180 CC(NCCCCCC(=O)O)C(=O)N dc1b25bfe14e1a576f9c390beba79f13 [0,2,0,0,0,0|2,0,0]=4 6315 B13R0.180 CC(NCCCCCC(=O)O)C(=O)O adfbbe35d20c32add333fc1795e47b53 [0,2,0,0,0,0|2,0,0]=4 6316 B13R0.180 C[C@@H](CNCCCCC(=O)N)C(=O)O d9c0c9c0603689f2063d0ecdd6b7cb58 [0,2,0,0,0,0|2,0,0]=4 6317 B13R0.180 C[C@@H](CNCCCCC(=O)O)C(=O)O 0df9ccc35d7a067be9346d0dfafa8154 [0,2,0,0,0,0|2,0,0]=4 6318 B13R0.180 C[C@@H](COCCCCC(=O)N)C(=O)O cfbbc07e6091a58a234a7fef2025c9b2 [0,2,0,0,0,0|2,0,0]=4 6319 B13R0.180 C[C@@H](COCCCCC(=O)O)C(=O)O 44819f97b5156e5fe4ee294f5c106cad [0,2,0,0,0,0|2,0,0]=4 6320 B13R0.180 C[C@@H](NCCCCCC(=O)N)C(=O)O 9ef8a7a544e7f6fc201d3b2b94c1fab5 [0,2,0,0,0,0|2,0,0]=4 6321 B13R0.180 C[C@@H](NCCCCCC(=O)O)C(=O)N c88076d403805acc1620cff393b6235b [0,2,0,0,0,0|2,0,0]=4 6322 B13R0.180 C[C@@H](NCCCCCC(=O)O)C(=O)O 2b4d12d4669e6a35554e020b639891aa [0,2,0,0,0,0|2,0,0]=4 6323 B13R0.180 C[C@H](CNCCCCC(=O)N)C(=O)O d52bce8d99521ff8124226a6f2ec9229 [0,2,0,0,0,0|2,0,0]=4 6324 B13R0.180 C[C@H](CNCCCCC(=O)O)C(=O)O ac0173135b6f1066d009d07b1e350f06 [0,2,0,0,0,0|2,0,0]=4 6325 B13R0.180 C[C@H](COCCCCC(=O)N)C(=O)O 40d3fa75f6fddcb620f1ee60ff030eea [0,2,0,0,0,0|2,0,0]=4 6326 B13R0.180 C[C@H](COCCCCC(=O)O)C(=O)O 7cca133eb7f3e96eff331236ba7083b6 [0,2,0,0,0,0|2,0,0]=4 6327 B13R0.180 C[C@H](NCCCCCC(=O)N)C(=O)O 3b0584b43850f87c6f4c6a594e12a97e [0,2,0,0,0,0|2,0,0]=4 6328 B13R0.180 C[C@H](NCCCCCC(=O)O)C(=O)N e0ebc1792cc61842686aaf81dcecc3e2 [0,2,0,0,0,0|2,0,0]=4 6329 B13R0.180 C[C@H](NCCCCCC(=O)O)C(=O)O dd8c82a941bf813eb47d0b6bf95d290a [0,2,0,0,0,0|2,0,0]=4 6330 B13R0.180 NC(=O)CCCCCNC(O)C(=O)O 85adb3006b4f94112a18be7255348ae0 [0,2,0,0,0,0|2,0,0]=4 6331 B13R0.180 NC(=O)CCCCNCC(O)C(=O)O c7f8c1dfabe06ba6a516ac54f225681d [0,2,0,0,0,0|2,0,0]=4 6332 B13R0.180 NC(=O)CCCCNC[C@@H](O)C(=O)O 7ecbd0a6556380bb473c5c73fbba4568 [0,2,0,0,0,0|2,0,0]=4 6333 B13R0.180 NC(=O)CCCCNC[C@H](O)C(=O)O 4709c72bafa080d3acc1d19487dec73f [0,2,0,0,0,0|2,0,0]=4 6334 B13R0.180 NC(=O)CCCNCCC(F)C(=O)O e437e2b8e4c2d741a00f338bcb675d13 [0,2,0,0,0,0|2,0,0]=4 6335 B13R0.180 NC(=O)CCCNCCC(O)C(=O)O d0d6d117ef3b273b98d61f1fc62dec4c [0,2,0,0,0,0|2,0,0]=4 6336 B13R0.180 NC(=O)CCCNCC[C@H](O)C(=O)O b11a8658b14bae211d0138f1e761fb21 [0,2,0,0,0,0|2,0,0]=4 6337 B13R0.180 O=C(O)CCCCNCC(O)C(=O)O b62f2b882a041a6f3eafc7c1884ae47b [0,2,0,0,0,0|2,0,0]=4 6338 B13R0.180 O=C(O)CCCCNC[C@H](O)C(=O)O aae71e970eaefad4e3da92651f8448e9 [0,2,0,0,0,0|2,0,0]=4 6339 B13R0.201 C=CC(=O)CCCNCCC(=O)NO 14d95f987b648627268847db3bd15b4c [0,2,0,0,0,0|1,0,1]=4 6340 B13R0.201 C=CC(=O)CCCNCCC(=O)OC cbf7f1ece41dd78cc939a0005c5123f2 [0,2,0,0,0,0|1,0,1]=4 6341 B13R0.201 C=CC(=O)CCCOCCC(=O)OC d1fb8a3b72f834ecd9f6dd33a4e178d2 [0,2,0,0,0,0|1,0,1]=4 6342 B13R0.201 C=CC(=O)NCCCCCC(=O)OC fdabc7c588ec6347cbbf789deaf3d45c [0,2,0,0,0,0|1,0,1]=4 6343 B13R0.201 C=CC(C)COCCCCC(=O)CC eb52c9214e954fb88d72b9cb5ffe26bf [0,2,0,0,0,0|2,0,0]=4 6344 B13R0.201 C=CC(C)COCCCCC(=O)OC a670c2d9a5b8de9a0663fb06d29d692c [0,2,0,0,0,0|1,0,0]=3 6345 B13R0.201 C=CC(C)COCCOCC(=O)OC 333f04b2bdad9623a7fcad22bdd727fd [0,2,0,0,0,0|2,0,0]=4 6346 B13R0.201 C=CC(C)NCCCCCC(=O)OC 0445e4f72cf27735aef31e1db47450f3 [0,2,0,0,0,0|1,0,0]=3 6347 B13R0.201 C=CC(C)NCCCOCC(=O)OC 80b298f1fcd1f9b74da7fd59641e9d9c [0,2,0,0,0,0|2,0,0]=4 6348 B13R0.201 C=CC(C)NCCCSCC(=O)OC 2e002c5db5dcf57b6e72bbad61093e33 [0,2,0,0,0,0|2,0,0]=4 6349 B13R0.201 C=CC(C)OCCCCCC(=O)OC 296d21f5ff550f6ac36c727e6620bc5f [0,2,0,0,0,0|1,0,0]=3 6350 B13R0.201 C=CC(C)OCCCOCC(=O)OC 46bde4c0d55a87a8e7dc85e2daeab6ae [0,2,0,0,0,0|2,0,0]=4 6351 B13R0.201 C=CC(C)OCCCSCC(=O)OC 691b3490b297fdbe5c979ae85da6beb3 [0,2,0,0,0,0|2,0,0]=4 6352 B13R0.201 C=CC(C)OCCOCCC(=O)OC 68b522cb2bbc1ee87e159d87f578bad5 [0,2,0,0,0,0|2,0,0]=4 6353 B13R0.201 C=CC(O)CNCCCCC(=O)CC 06e014767c11702cfb278b02d09e47f8 [0,2,0,0,0,0|2,0,0]=4 6354 B13R0.201 C=CC(O)CNCCCCC(=O)OC 7ad0f317bbf11ee70ea23345ef551da2 [0,2,0,0,0,0|1,0,0]=3 6355 B13R0.201 C=CC(O)CNCCOCC(=O)OC d8675498e4210a7a11e0e5cc4c4a5692 [0,2,0,0,0,0|2,0,0]=4 6356 B13R0.201 C=C[C@H](C)OCCCCCC(=O)OC 7f6bc64bc348de05975fada4a0f2710e [0,2,0,0,0,0|1,0,0]=3 6357 B13R0.201 C=C[C@H](C)OCCCOCC(=O)OC 9389d9d29c17cc5b21736cd5e38b3304 [0,2,0,0,0,0|2,0,0]=4 6358 B13R0.201 C=C[C@H](C)OCCCSCC(=O)OC a0727394ed059db4f6e2ae3a7b940c6f [0,2,0,0,0,0|2,0,0]=4 6359 B13R0.201 COC(=O)CCCCCNC(C)C=O 24be51a2094e21d88e3e80d25790acf6 [0,2,0,0,0,0|2,0,0]=4 6360 B13R0.201 COC(=O)CCCCCN[C@H](C)C=O 5255b0014b066e64bcea8d4082944631 [0,2,0,0,0,0|2,0,0]=4 6361 B13R0.201 COC(=O)CCCCCOC(C)C=O f97b8fec25a8e6c65c857307621e5515 [0,2,0,0,0,0|2,0,0]=4 6362 B13R0.201 COC(=O)CCCCCO[C@H](C)C=O 44225ff88185c46db624df85af569263 [0,2,0,0,0,0|2,0,0]=4 6363 B13R0.204 C=CC(=O)CCCNCC(C)C(=O)O 451e708eb13526b677208014a4585373 [0,2,0,0,0,0|1,0,1]=4 6364 B13R0.204 C=CC(=O)CCCNCC(F)C(=O)O 5c5810d76d153c693d1c1f40f1ab8605 [0,2,0,0,0,0|1,0,1]=4 6365 B13R0.204 C=CC(=O)CCCNCC(O)C(=O)O 7d12d1ef95c2e29e53ca88a84f0cee2b [0,2,0,0,0,0|1,0,1]=4 6366 B13R0.204 C=CC(=O)CCCNC[C@@H](C)C(=O)O 83cea2ea7bb01d04bc125e38cc851f63 [0,2,0,0,0,0|1,0,1]=4 6367 B13R0.204 C=CC(=O)CCCNC[C@@H](O)C(=O)O d7fdc58304c2149a54228b446f0d3c2d [0,2,0,0,0,0|1,0,1]=4 6368 B13R0.204 C=CC(=O)CCCNC[C@H](C)C(=O)O 787c3caa4178901f265054d91c7c3299 [0,2,0,0,0,0|1,0,1]=4 6369 B13R0.204 C=CC(=O)CCCNC[C@H](O)C(=O)O f04232cb6b392df742c590f9dac4ca60 [0,2,0,0,0,0|1,0,1]=4 6370 B13R0.204 C=CC(=O)CCCOCC(C)C(=O)O 96cebee4ac6d44db85ba7c1f24c811ea [0,2,0,0,0,0|1,0,1]=4 6371 B13R0.204 C=CC(=O)CCCOC[C@@H](C)C(=O)O 359590573a2ac93f76ba969074cebb59 [0,2,0,0,0,0|1,0,1]=4 6372 B13R0.204 C=CC(=O)CCCOC[C@H](C)C(=O)O 67feb8c8bfbb5a96d2b7d7e2d67bd199 [0,2,0,0,0,0|1,0,1]=4 6373 B13R0.204 C=CC(C)COCCCC(C)C(=O)O e102fbe89241709176fe3c8e4970fb20 [0,2,0,0,0,0|1,0,0]=3 6374 B13R0.204 C=CC(C)NCCSCC(C)C(=O)O 888d9170887e469e4206ecd25d181ecd [0,2,0,0,0,0|2,0,0]=4 6375 B13R0.204 C=CC(O)CNCCCC(C)C(=O)O 321881c960da62fa42233b404220042a [0,2,0,0,0,0|1,0,0]=3 6376 B13R0.208 C=CC(=O)CCCN(C)CCC(=O)O 71d18e1d95f186f854c03257a28a7fae [0,2,0,0,0,0|1,0,1]=4 6377 B13R0.208 C=CC(C)COCC(=O)CCC(=O)O 5b5befa6187d4f8120cd29df9480355a [0,2,0,0,0,0|1,0,1]=4 6378 B13R0.208 C=CC(C)NCCN(C)CCC(=O)O 9a113b5bc665a2002ad4aa7eafdabef9 [0,2,0,0,0,0|2,0,0]=4 6379 B13R0.208 C=CC(C)OCCN(C)CCC(=O)O bc216d16373c9dd3aa9ef8c8317a28d9 [0,2,0,0,0,0|2,0,0]=4 6380 B13R0.208 C=CC(O)CNCC(=O)CCC(=O)O 35049061c05ca647b5c9ff5fce9b7b84 [0,2,0,0,0,0|1,0,1]=4 6381 B13R0.291 C=CC(C)(C)CCCNCCC(=O)C d4b377b803b26e03883501c6833bab8e [0,2,0,0,0,0|2,0,0]=4 6382 B13R0.291 C=CC(C)(C)CCCNCCC(=O)N 86445b13c45ec4e0ac0423241f8dc580 [0,2,0,0,0,0|2,0,0]=4 6383 B13R0.291 C=CC(C)(C)CCCNCCC(=O)O 1ac765afb4ca8b1d932eac0c079cf183 [0,2,0,0,0,0|1,0,0]=3 6384 B13R0.291 C=CC(C)(C)COCCCCC(=O)C e74799959d1bfdce56b8e660eaacbc2f [0,2,0,0,0,0|2,0,0]=4 6385 B13R0.291 C=CC(C)(C)COCCCCC(=O)N 2db3cf82589eb7b3a969c4afd4055c35 [0,2,0,0,0,0|2,0,0]=4 6386 B13R0.291 C=CC(C)(C)COCCCCC(=O)O 0e028113f3c1406ec925aaa3d0eb25de [0,2,0,0,0,0|1,0,0]=3 6387 B13R0.291 C=CC(C)(C)COCCOCC(=O)O f203adbd3f7b171439d7fdb0517c63bf [0,2,0,0,0,0|2,0,0]=4 6388 B13R0.291 CC(C)(C=O)CCCNCCC(=O)O 37f563125072d2261663fa0827d43869 [0,2,0,0,0,0|2,0,0]=4 6389 B13R0.291 CC(C)(C=O)CCCOCCC(=O)O f6950cc45249316c5af07a05ee6a5aa6 [0,2,0,0,0,0|2,0,0]=4 6390 B13R0.291 CC(C)(C=O)COCCCCC(=O)O 68cec5520c445f93448f7c23c3391bcc [0,2,0,0,0,0|2,0,0]=4 6391 B13R0.1120 C#CC(C=C)OCCCCCC(=O)C 55c56c80fb52f31528ecfc318553db58 [0,2,0,0,0,0|2,0,0]=4 6392 B13R0.1120 C#CC(C=C)OCCCCCC(=O)N 5aacca9a31afea7bc4f78054080468f9 [0,2,0,0,0,0|2,0,0]=4 6393 B13R0.1120 C#CC(C=C)OCCCCCC(=O)O cca41daaabee93802680d73c6bdc9c0d [0,2,0,0,0,0|1,0,0]=3 6394 B13R0.1120 C#CC(C=C)OCCCOCC(=O)O 2b7d13f866e375cc7940d1b0cac449dc [0,2,0,0,0,0|2,0,0]=4 6395 B13R0.1120 C#CC(C=C)OCCOCCC(=O)O 5754419389fc764523ea43e75b4e59b9 [0,2,0,0,0,0|2,0,0]=4 6396 B13R0.1120 C=CC(C=C)OCCCCCC(=O)C 2d2bcbb30e0a96c9ca4efc8ace8e282c [0,2,0,0,0,0|2,0,0]=4 6397 B13R0.1120 C=CC(C=C)OCCCCCC(=O)N 716ad942ce998be6a2cbea23423fbe6d [0,2,0,0,0,0|2,0,0]=4 6398 B13R0.1120 C=CC(C=C)OCCCCCC(=O)O 47392e41be70eaa4eb87585efbb7176a [0,2,0,0,0,0|1,0,0]=3 6399 B13R0.1120 C=CC(C=C)OCCCOCC(=O)O 785d4c8e74b085f77fec9141fb77836e [0,2,0,0,0,0|2,0,0]=4 6400 B13R0.1120 C=CC(C=C)OCCOCCC(=O)O f551386712f5db3b91fe80840532e537 [0,2,0,0,0,0|2,0,0]=4 6401 B13R0.1120 C=CC(CC)OCCCCCC(=O)C 1e0868454726d56e23e7261eb874d8c7 [0,2,0,0,0,0|2,0,0]=4 6402 B13R0.1120 C=CC(CC)OCCCCCC(=O)N 995be23072c40bbb136015ecb3a15354 [0,2,0,0,0,0|2,0,0]=4 6403 B13R0.1120 C=CC(CC)OCCCCCC(=O)O 22e13ec60f451d89167295e04769225e [0,2,0,0,0,0|1,0,0]=3 6404 B13R0.1120 C=CC(CC)OCCCOCC(=O)O 4c46a7ea15613d50808fc1a47a806056 [0,2,0,0,0,0|2,0,0]=4 6405 B13R0.1120 C=CC(CC)OCCOCCC(=O)O 7ef48717a4b6fca1775a20c57201316a [0,2,0,0,0,0|2,0,0]=4 6406 B13R0.1120 C=C[C@@H](CO)NCCCCCC(=O)C a8eb2b87b387e833ae265f34c6170393 [0,2,0,0,0,0|2,0,0]=4 6407 B13R0.1120 C=C[C@@H](CO)NCCCCCC(=O)N e2c895c0da76b92b8f8a8d81d32d8aaa [0,2,0,0,0,0|2,0,0]=4 6408 B13R0.1120 C=C[C@@H](CO)NCCCCCC(=O)O be20f4533e23224851a37a3f2c1f3931 [0,2,0,0,0,0|1,0,0]=3 6409 B13R0.1120 C=C[C@@H](CO)NCCCOCC(=O)O ab0caaeacf24f9c1843e9bfec045e44c [0,2,0,0,0,0|2,0,0]=4 6410 B13R0.1120 C=C[C@@H](CO)NCCOCCC(=O)O 1387cd4883da1a94b862360931402e18 [0,2,0,0,0,0|2,0,0]=4 6411 B13R0.1120 CCC(C=O)NCCCCCC(=O)O e22c00d6627112de24bb901d17dfa06f [0,2,0,0,0,0|2,0,0]=4 6412 B13R0.1120 CCC(C=O)OCCCCCC(=O)O 6a688111a77916ce3dce2a6e2922a6d0 [0,2,0,0,0,0|2,0,0]=4 6413 B13R0.1120 N#CC(C=O)NCCCCCC(=O)O fcf8080e27b5ded1e40495b1ad97d8d1 [0,2,0,0,0,0|2,0,0]=4 6414 B13R0.1120 O=CC(C=O)NCCCCCC(=O)O 9c63d6c650ad57bf889d9731038c5e55 [0,2,0,0,0,0|2,0,0]=4 6415 B13R0.1120 O=CC(C=O)OCCCCCC(=O)O a5d69bdf6cbd89b67172679289d1e5de [0,2,0,0,0,0|2,0,0]=4 6416 B13R0.1 C#CCCCCN(C)CCCC(=O)O bc71162420d15636a5f58b35d5ca2993 [0,2,0,0,0,0|0,0,2]=4 6417 B13R0.1 C/C=C\CCCN(C)CCCC(=O)N 58d086a78f96cd3c05d778e0ae5f8c07 [0,2,0,0,0,0|2,0,0]=4 6418 B13R0.1 C/C=C\CCCN(C)CCCC(=O)O abba1bc34198481b368ced76dcaf2586 [0,2,0,0,0,0|1,0,0]=3 6419 B13R0.1 C=CCCCCC(=O)NCCC(=O)N dac1f28b3ff23ce213457ace1a5a26cb [0,2,0,0,0,0|1,0,1]=4 6420 B13R0.1 C=CCCCCC(=O)NCCS(=O)O 49746c1a8eba7acf6ff8a1c83dc8613c [0,2,0,0,0,0|1,0,1]=4 6421 B13R0.1 C=CCCCCC(C)OCCC(=C)C 097e89728241cbde20eb6c26bacc171d [0,2,0,0,0,0|2,0,0]=4 6422 B13R0.1 C=CCCCCC(C)OCCC(=O)C 10a8b8543881fcb83d9ab76f533ab756 [0,2,0,0,0,0|1,0,0]=3 6423 B13R0.1 C=CCCCCC(C)OCCC(=O)N 7c30feb18b6a1f435b8c98fc3e82ad3e [0,2,0,0,0,0|1,0,0]=3 6424 B13R0.1 C=CCCCCC(C)OCCC(=O)O a10a0d1a1eaa7a375d6a619cb2150d80 [0,2,0,0,0,0|0,0,0]=2 6425 B13R0.1 C=CCCCCC(C)OCCS(=O)C 5536434076a0165a6d83757f40a35e65 [0,2,0,0,0,0|2,0,0]=4 6426 B13R0.1 C=CCCCCC(C)OCOC(=O)C 085ad48e6faccf13f5b021deee3c283d [0,2,0,0,0,0|2,0,0]=4 6427 B13R0.1 C=CCCCCC(C)OCSC(=O)N 1c2954dee1749c7b3855a4397c110a02 [0,2,0,0,0,0|2,0,0]=4 6428 B13R0.1 C=CCCCCN(C)C/C=C/C(=O)O 4478bdbb7a6a086aaa2b771cef8f025e [0,2,0,0,0,0|0,0,2]=4 6429 B13R0.1 C=CCCCCN(C)CC=CC(=O)O 318bafed9c21eaa8f24ce2f65edcc294 [0,2,0,0,0,0|0,0,2]=4 6430 B13R0.1 C=CCCCCN(C)CCCC(=C)C f07b0b48c4c8671118e4d5ec195b5f89 [0,2,0,0,0,0|2,0,0]=4 6431 B13R0.1 C=CCCCCN(C)CCCC(=O)C ca883837cf5a3b3058d3d2b8827cfdd5 [0,2,0,0,0,0|1,0,0]=3 6432 B13R0.1 C=CCCCCN(C)CCCC(=O)N 4603c41a9eb6ccb2ca078c95bbc4f732 [0,2,0,0,0,0|1,0,0]=3 6433 B13R0.1 C=CCCCCN(C)CCCC(=O)O 5880fa34e4c0316eb4f55bdf8ba66584 [0,2,0,0,0,0|0,0,0]=2 6434 B13R0.1 C=CCCCCN(C)CCCC(C)O 24026ce4259ad6f4b19347974881c5c3 [0,2,0,0,0,0|1,0,1]=4 6435 B13R0.1 C=CCCCCN(C)CCC[N+](=O)[O-] 5fb44a021a4b1db3df954e1d8988d00e [0,2,0,0,0,0|1,0,1]=4 6436 B13R0.1 C=CCCCCN(C)CCNC(=O)C fc4f96f275b849ad3cd8260eb90a6793 [0,2,0,0,0,0|2,0,0]=4 6437 B13R0.1 C=CCCCCN(C)CCNC(=O)N ef95af327dd0b858aaa746ab98188ca7 [0,2,0,0,0,0|2,0,0]=4 6438 B13R0.1 C=CCCCCN(C)CCOC(=O)C 34481f8770e4101a38eeef91f2ca2f20 [0,2,0,0,0,0|2,0,0]=4 6439 B13R0.1 C=CCCCCN(C)CCSC(=O)C 1a72e9f5ec63ea1f4a19368021343a15 [0,2,0,0,0,0|2,0,0]=4 6440 B13R0.1 C=CCCCC[C@@H](C)OCCC(=C)C 4e645ee7ea7c2499170c1524c16d6ce4 [0,2,0,0,0,0|2,0,0]=4 6441 B13R0.1 C=CCCCC[C@@H](C)OCCC(=O)C 5667de20e115c4f298a1b21fe5fd7902 [0,2,0,0,0,0|1,0,0]=3 6442 B13R0.1 C=CCCCC[C@@H](C)OCCC(=O)N 5fff010a2ec6e7ac3c758aae6e43c1e7 [0,2,0,0,0,0|1,0,0]=3 6443 B13R0.1 C=CCCCC[C@@H](C)OCCC(=O)O bfa1881bde9b6302742d9453eba2a61d [0,2,0,0,0,0|0,0,0]=2 6444 B13R0.1 C=CCCCC[C@@H](C)OCCS(=O)C 997d6f72eb5449aa7b290c423057a030 [0,2,0,0,0,0|2,0,0]=4 6445 B13R0.1 C=CCCCC[C@@H](C)OCOC(=O)C 26f609b4f264031126f4e631356240f0 [0,2,0,0,0,0|2,0,0]=4 6446 B13R0.1 C=CCCCC[C@@H](C)OCSC(=O)N 9458b71c436122e8fd67eae5951dfe47 [0,2,0,0,0,0|2,0,0]=4 6447 B13R0.1 C=CCCCNC(=O)CCCC(=O)C 91a6faa83ec58fd5fd7d15619bc05eeb [0,2,0,0,0,0|1,0,1]=4 6448 B13R0.1 C=CCCCNC(=O)CCCC(=O)N e91c8110e190d503a08b63ec04d155a6 [0,2,0,0,0,0|1,0,1]=4 6449 B13R0.1 C=CCCCNC(=O)NCCC(=O)O c1f606b41dad09bb262cabacc9486b76 [0,2,0,0,0,0|1,0,1]=4 6450 B13R0.1 C=CCCCNC(=S)NCCC(=O)O 51c2179c7b9d6eab86ba7daefab0217b [0,2,0,0,0,0|1,0,1]=4 6451 B13R0.1 C=CCCNCC(=O)NCCC(=O)O 121d75662faa46e26228f23e4c2c76ca [0,2,0,0,0,0|1,0,1]=4 6452 B13R0.1 C=CCCOCC(=O)NCCC(=O)O a925c17dfba2855d47f489590bbd98ec [0,2,0,0,0,0|1,0,1]=4 6453 B13R0.1 C=CCNCCC(=O)NCCC(=O)O 7d4f89b86d725a70f4133c6f97c69ca6 [0,2,0,0,0,0|1,0,1]=4 6454 B13R0.1 C=CCOCCC(C)CCCC(=C)C ca017176cc24a22d90dbff954ef6f169 [0,2,0,0,0,0|2,0,0]=4 6455 B13R0.1 C=CCOCCN(C)CCCC(=O)N 3bc529def67d7becfe40e7ec55e2579e [0,2,0,0,0,0|2,0,0]=4 6456 B13R0.1 C=CCOCCN(C)CCCC(=O)O d4be296402bb1b1455e6bcc264ae1f86 [0,2,0,0,0,0|1,0,0]=3 6457 B13R0.1 CCCCCCC(C)COCC(=O)O e8cb84463d4c42a53af0231f0184c636 [0,2,0,0,0,0|0,0,2]=4 6458 B13R0.1 CCCCCCC(C)NCCC(=O)O f76c107b5556bc38336392a31d94b7a6 [0,2,0,0,0,0|0,0,2]=4 6459 B13R0.1 CCCCCCC(C)OCCC(=O)O fbf74add55c316cbf09693fb9af81d13 [0,2,0,0,0,0|0,0,2]=4 6460 B13R0.1 CCCCCCN(C)CCCC(=O)O dfe38c98b9c6b8e2674a2b55eff76e67 [0,2,0,0,0,0|0,0,2]=4 6461 B13R0.1 CCCCCC[C@@H](C)NCCC(=O)O a1963d6d70dabce63f9c8954e43ef9cc [0,2,0,0,0,0|0,0,2]=4 6462 B13R0.1 CCCCCC[C@@H](C)OCCC(=O)O cd0d197c68b78adbfbefc8bbee6ddfb0 [0,2,0,0,0,0|0,0,2]=4 6463 B13R0.1 CCCCCC[C@H](C)NCCC(=O)O ec61bb383850e7ae5e169be113997cbf [0,2,0,0,0,0|0,0,2]=4 6464 B13R0.1 CCCCCC[C@H](C)OCCC(=O)O a4ab9929f11ea125410c3c3e11f89276 [0,2,0,0,0,0|0,0,2]=4 6465 B13R0.1 CN(CCCC(=O)O)CCOCC=O f2606bb59102b49be4e146a46dbd7ce0 [0,2,0,0,0,0|2,0,0]=4 6466 B13R0.1 CN(CCCCC#N)CCCC(=O)O 179459183b572156e55fc578d063f41e [0,2,0,0,0,0|1,0,1]=4 6467 B13R0.1 CN(CCCCC=O)CCCC(=O)N 910b9d63fd7f73a3fcb21ec76daa42ce [0,2,0,0,0,0|2,0,0]=4 6468 B13R0.1 CN(CCCCC=O)CCCC(=O)O 634c15b61c957eba464a4a6dd8f86679 [0,2,0,0,0,0|1,0,0]=3 6469 B13R0.1 CN(CCCCCF)CCCC(=O)O fdbe46acdc8b65fa3ad7771f1760e8d4 [0,2,0,0,0,0|1,0,1]=4 6470 B13R0.1 CN(CCCCCO)CCCC(=O)O de3071b835cb49fc81e31793c2f3eb9b [0,2,0,0,0,0|1,0,1]=4 6471 B13R0.1 CN(CCCCON)CCCC(=O)O 682b043dc72b441942db79fa9248f906 [0,2,0,0,0,0|2,0,0]=4 6472 B13R0.1 COCCCCN(C)CCCC(=O)O 5366afd7dcc9d517bc3009a3f80442d8 [0,2,0,0,0,0|1,0,1]=4 6473 B13R0.139 C=CCCCN(C)C(C)CCC(=O)O af4c046b9f6baba57e57d169d3bb82e9 [0,2,0,0,0,0|1,0,0]=3 6474 B13R0.194 C=CCCCC(=O)NCCC(=O)NO 15aeb0cd95812ddd2e1d4939969e51b5 [0,2,0,0,0,0|1,0,1]=4 6475 B13R0.194 C=CCCCC(=O)NCCC(=O)OC b1f30d4dd1a44c70489e03d8bcbc25ef [0,2,0,0,0,0|1,0,1]=4 6476 B13R0.194 C=CCCCN(C)CCCC(=O)C=C 5773caea54a4d69654c26b5c47e7286d [0,2,0,0,0,0|2,0,0]=4 6477 B13R0.194 C=CCCCN(C)CCCC(=O)NC 9fea5e477ee3255c119d68f33c6effa5 [0,2,0,0,0,0|2,0,0]=4 6478 B13R0.194 C=CCCCN(C)CCCC(=O)OC b7a8378a86c7540c28ae6a35c9be0a48 [0,2,0,0,0,0|1,0,0]=3 6479 B13R0.194 C=CCCC[C@H](C)OCCC(=O)NC 3e3212fa41c120f1f31e08a0d0a4f490 [0,2,0,0,0,0|2,0,0]=4 6480 B13R0.194 C=CCCC[C@H](C)OCCC(=O)OC cc024c54df5f9c84f4d29a4a658a4675 [0,2,0,0,0,0|1,0,0]=3 6481 B13R0.194 C=CCCC[C@H](C)OCOC(=O)OC fbe09e53fbfd09e5a00b9ec764499519 [0,2,0,0,0,0|2,0,0]=4 6482 B13R0.194 C=CCCNC(=O)CCCC(=O)OC 6c4cf6b65f64b925e2449d2b3b7717c4 [0,2,0,0,0,0|1,0,1]=4 6483 B13R0.194 C=CCCNC(C)CCCC(=O)OC 3acc7d1b76493c53b9d684ca39452f52 [0,2,0,0,0,0|1,0,0]=3 6484 B13R0.194 C=CCCOC(C)CCCC(=O)OC 73587b6421b68af78977c6e6a90c84a7 [0,2,0,0,0,0|1,0,0]=3 6485 B13R0.194 COC(=O)CCCC(C)OCCC=O 759ec6ec35bf9a8f109510c112b4b593 [0,2,0,0,0,0|2,0,0]=4 6486 B13R0.331 C=CCC(C)CN(C)CCCC(=O)N d5382733a72fdb94d884cc5e7bed109c [0,2,0,0,0,0|2,0,0]=4 6487 B13R0.331 C=CCC(C)CN(C)CCCC(=O)O c0fe4c56afd6c6902bc29f8218e6801b [0,2,0,0,0,0|1,0,0]=3 6488 B13R0.339 C=CCCCN(C)CCC(C)C(=O)C 2ecf065a0784cf704fc4a4e362debb9e [0,2,0,0,0,0|2,0,0]=4 6489 B13R0.339 C=CCCC[C@H](C)OCC(C)C(=O)O 4969ccdf1a4955edb5768a25a0a04dd9 [0,2,0,0,0,0|1,0,0]=3 6490 B13R0.1398 C=C(C)CCCN(C)CCCC(=O)N 27219e7a761b5bbc8313cb329081f00e [0,2,0,0,0,0|2,0,0]=4 6491 B13R0.1398 C=C(C)CCCN(C)CCCC(=O)O e8754955104c2bdf45ffd79fc8450459 [0,2,0,0,0,0|1,0,0]=3 6492 B13R0.1398 CC(=O)CCCN(C)CCCC(=O)O cedce2c1d479b1999244f95d16b1cf78 [0,2,0,0,0,0|1,0,1]=4 6493 B13R0.1398 CN(CCCC(=O)N)CCCC(=O)O 462028371f54c307119b3446865a343b [0,2,0,0,0,0|2,0,0]=4 6494 B13R0.1398 CN(CCCC(=O)O)CCCC(=O)O bf6f2d2e3381e7b275fc7e76776c909c [0,2,0,0,0,0|2,0,0]=4 6495 B13R0.54 C#CCCCCCCCNCC(=O)O 6fd8106c28d085af5cc7b0214ff00921 [0,2,0,0,0,0|0,0,2]=4 6496 B13R0.54 C#CCCCCCCCOCC(=O)O 1b8969cabb15fdb68dcf9c50d64993d2 [0,2,0,0,0,0|0,0,2]=4 6497 B13R0.54 C#CCCCCCCNCCC(=O)O 8367b14320fe0910d76e3f4ff451cbbb [0,2,0,0,0,0|0,0,2]=4 6498 B13R0.54 C#CCCCCCCOCCC(=O)O e29e7afc82ed8467723fc6d8f036a9a6 [0,2,0,0,0,0|0,0,2]=4 6499 B13R0.54 C#CCCCCNCCCCC(=O)O fd84cdab7d67d100cc0291d4eadb7e97 [0,2,0,0,0,0|0,0,2]=4 6500 B13R0.54 C#CCCCCNCCOCC(=O)O d3092c967d5fb7197cb2c89d0fe86e5e [0,2,0,0,0,0|0,0,2]=4 6501 B13R0.54 C#CCCCCOCCCCC(=O)O 1966b42b2d4125f1113e5da9acaae71e [0,2,0,0,0,0|0,0,2]=4 6502 B13R0.54 C#CCCCCOCCOCC(=O)O cfbfa2e3be4942dba54b2e1386e907f2 [0,2,0,0,0,0|0,0,2]=4 6503 B13R0.54 C#CCCCNCCCCCC(=O)O 4fd7361c698a348141f9c81d28765fe3 [0,2,0,0,0,0|0,0,2]=4 6504 B13R0.54 C#CCCCNCCCOCC(=O)O 04b2ea3444c155bbfa822e1567a4b5da [0,2,0,0,0,0|0,0,2]=4 6505 B13R0.54 C#CCCCNCCOCCC(=O)O de5214ce90feb91ce938b5963fda560a [0,2,0,0,0,0|0,0,2]=4 6506 B13R0.54 C#CCCCOCCCCCC(=O)O 3ecd9a6393513ecba9314a243efda42f [0,2,0,0,0,0|0,0,2]=4 6507 B13R0.54 C#CCCCOCCCOCC(=O)O fe6684d4b5eaa9e3c31d3c36de298bc3 [0,2,0,0,0,0|0,0,2]=4 6508 B13R0.54 C#CCCCOCCOCCC(=O)O 9eb5ffe227cad4e33633f85a4e0bfdff [0,2,0,0,0,0|0,0,2]=4 6509 B13R0.54 C#CCCNCCCCCCC(=O)O 3fb982381922f6253448b85b5c1419bc [0,2,0,0,0,0|0,0,2]=4 6510 B13R0.54 C#CCCOCCCCCCC(=O)O 3d3164b479e063f77960d56cef691623 [0,2,0,0,0,0|0,0,2]=4 6511 B13R0.54 C#CCNCCCCCCCC(=O)O 4967bff454cd48ad4c9f3cc13d8de707 [0,2,0,0,0,0|0,0,2]=4 6512 B13R0.54 C#CCNCCOCCCCC(=O)O b3871f97b0b319be776e498e7964e16b [0,2,0,0,0,0|0,0,2]=4 6513 B13R0.54 C#CCOCCCCCCCC(=O)O 9276b87d53f9e835ace6bc202da11d85 [0,2,0,0,0,0|0,0,2]=4 6514 B13R0.54 C#CCOCCCOCCCC(=O)O cb0e6386499b90074449760519905dbb [0,2,0,0,0,0|0,0,2]=4 6515 B13R0.54 C#CCOCCNCCCCC(=O)O bfd01ebd38733c3b2f1485022f19df91 [0,2,0,0,0,0|0,0,2]=4 6516 B13R0.54 C#CCOCCOCCCCC(=O)O ae8693a72c0221416c3aad86bfbe4427 [0,2,0,0,0,0|0,0,2]=4 6517 B13R0.54 C/C=C/C=C/COCCCCC(=O)O c65a61f2cd1e465b3500ba17e0f51aa1 [0,2,0,0,0,0|0,0,2]=4 6518 B13R0.54 C/C=C/CCCOCCCCC(=O)C 0fc97bd658553558feef1f9a24d92b0c [0,2,0,0,0,0|1,0,0]=3 6519 B13R0.54 C/C=C/CCCOCCCCC(=O)N accc399925334f159884b84219d5eddd [0,2,0,0,0,0|1,0,0]=3 6520 B13R0.54 C/C=C/CCCOCCCCC(=O)O 71175cd66511176205605f6e926b77ff [0,2,0,0,0,0|0,0,0]=2 6521 B13R0.54 C/C=C/CCCOCCCNC(=O)C bf7fd82760a44fbb8f12fcfa61174ac7 [0,2,0,0,0,0|2,0,0]=4 6522 B13R0.54 C/C=C/CCCOCCCOC(=O)C 765e1a4ce26a13944b7872499448bad1 [0,2,0,0,0,0|2,0,0]=4 6523 B13R0.54 C/C=C/CCCOCCCSC(=O)C 8a09da33f4be1c60c75f6a1f9c656656 [0,2,0,0,0,0|2,0,0]=4 6524 B13R0.54 C/C=C/CCCOCCOCC(=O)N c0c5b35a07abe65c51ceb73ec831ac80 [0,2,0,0,0,0|2,0,0]=4 6525 B13R0.54 C/C=C/CCCOCCOCC(=O)O 438429598ba9140b6c41b6573f6cc3e9 [0,2,0,0,0,0|1,0,0]=3 6526 B13R0.54 C/C=C/CCOCCCCCC(=O)C 9cf1e30ec8c21e4825d8c19aa4c1d443 [0,2,0,0,0,0|1,0,0]=3 6527 B13R0.54 C/C=C/CCOCCCCCC(=O)N 2babdcd307a6062238b31566bd0c80fe [0,2,0,0,0,0|1,0,0]=3 6528 B13R0.54 C/C=C/CCOCCCCCC(=O)O c0c5a8535cbf5c8f57d342b540bcdd3c [0,2,0,0,0,0|0,0,0]=2 6529 B13R0.54 C/C=C/CCOCCCCOC(=O)C df8d11597d35c444e6b49c118c5bfff1 [0,2,0,0,0,0|2,0,0]=4 6530 B13R0.54 C/C=C/CCOCCCCSC(=O)C a876ba08e08ccba92ceca652330fb78b [0,2,0,0,0,0|2,0,0]=4 6531 B13R0.54 C/C=C/CCOCCCOCC(=O)O 242fa8f8d65db87a3a42557e55e1b84a [0,2,0,0,0,0|1,0,0]=3 6532 B13R0.54 C/C=C/CCOCCOCCC(=O)O 5dae43f01b398d0d5ba05660bd050179 [0,2,0,0,0,0|1,0,0]=3 6533 B13R0.54 C/C=C/CNCCCCCCC(=O)O b345075381f75eee3b4a4ddf8b9695ba [0,2,0,0,0,0|0,0,0]=2 6534 B13R0.54 C/C=C/CNCCCCCNC(=O)C 12ef17d51666ece536b361d3607adfc3 [0,2,0,0,0,0|2,0,0]=4 6535 B13R0.54 C/C=C/CNCCCSCCC(=O)N 96ebe7371b0500846320a24d0a85b87b [0,2,0,0,0,0|2,0,0]=4 6536 B13R0.54 C/C=C/CNCCSSCCC(=O)O 490678f828a4129f287d3b855deb27fc [0,2,0,0,0,0|2,0,0]=4 6537 B13R0.54 C/C=C/COCCCCCCC(=O)N 32f29d3dd02eb6116bb262cc2c09a1fd [0,2,0,0,0,0|1,0,0]=3 6538 B13R0.54 C/C=C/COCCCCCCC(=O)O 7c3543d2ee80c688536a669d2ef6e1eb [0,2,0,0,0,0|0,0,0]=2 6539 B13R0.54 C/C=C/COCCCCCOC(=O)C e9986708c2b06f30a58ef41db6b166f2 [0,2,0,0,0,0|2,0,0]=4 6540 B13R0.54 C/C=C/COCCSSCCC(=O)O 6490a458cd04b91a96e326ce2387f690 [0,2,0,0,0,0|2,0,0]=4 6541 B13R0.54 C/C=C\CCCNCCCCC(=O)N 4e4922396504b92ca52f04f2019a0259 [0,2,0,0,0,0|1,0,0]=3 6542 B13R0.54 C/C=C\CCCNCCCCC(=O)O 94b9fd1cfc73de6d71dcc1fb3e09088e [0,2,0,0,0,0|0,0,0]=2 6543 B13R0.54 C/C=C\CCCNCCCNC(=O)C 299cbdc0ba7786bc630cb2c7f3f0df45 [0,2,0,0,0,0|2,0,0]=4 6544 B13R0.54 C/C=C\CCCNCCOCC(=O)O 9a84be3f0193d59e4259b88def8835f0 [0,2,0,0,0,0|1,0,0]=3 6545 B13R0.54 C/C=C\CCCNCCSCC(=O)O 579ad3d044c33d8aee8b797476656914 [0,2,0,0,0,0|1,0,0]=3 6546 B13R0.54 C/C=C\CCCOCCC#CC(=O)O 1817ee8c846b95ea8a7d8698ebf6a3be [0,2,0,0,0,0|0,0,2]=4 6547 B13R0.54 C/C=C\CCCOCCCCC(=O)C a6a48797b169d8265a4854030209d670 [0,2,0,0,0,0|1,0,0]=3 6548 B13R0.54 C/C=C\CCCOCCCCC(=O)N c5129583a52947012a202d95a8c46721 [0,2,0,0,0,0|1,0,0]=3 6549 B13R0.54 C/C=C\CCCOCCCCC(=O)O 2ee1c80b18b32317e4b393df39cc47c1 [0,2,0,0,0,0|0,0,0]=2 6550 B13R0.54 C/C=C\CCCOCCCC[N+](=O)[O-] f63cabc888cd6bd948e7c94a576860cc [0,2,0,0,0,0|1,0,1]=4 6551 B13R0.54 C/C=C\CCCOCCCNC(=O)C b61f954525a39d3cada3310815f62f5d [0,2,0,0,0,0|2,0,0]=4 6552 B13R0.54 C/C=C\CCCOCCCOC(=O)C 3fbc51b343e5442ac321d49981ef5d49 [0,2,0,0,0,0|2,0,0]=4 6553 B13R0.54 C/C=C\CCCOCCCSC(=O)C 881969039d7b3c4b026fd527e54779df [0,2,0,0,0,0|2,0,0]=4 6554 B13R0.54 C/C=C\CCCOCCOCC(=O)N b577abea26cf68116522d45cda9c987b [0,2,0,0,0,0|2,0,0]=4 6555 B13R0.54 C/C=C\CCCOCCOCC(=O)O 494127904e6eab03409606304da419aa [0,2,0,0,0,0|1,0,0]=3 6556 B13R0.54 C/C=C\CCCOCCSCC(=O)N d8451aae654c040475c6e3fbf8231163 [0,2,0,0,0,0|2,0,0]=4 6557 B13R0.54 C/C=C\CNCCCCCCC(=O)O 746387ed1dc496b85deb198c8f936d6c [0,2,0,0,0,0|0,0,0]=2 6558 B13R0.54 C/C=C\CNCCCCCNC(=O)C f5786ecc0bee74aa2952be6764339ef0 [0,2,0,0,0,0|2,0,0]=4 6559 B13R0.54 C/C=C\CNCCCSCCC(=O)N 3a04345a2701057f0f2099a5f989a1e3 [0,2,0,0,0,0|2,0,0]=4 6560 B13R0.54 C/C=C\CNCCSSCCC(=O)O 74914221e87aded615119104114d38e5 [0,2,0,0,0,0|2,0,0]=4 6561 B13R0.54 C/C=C\COCCCCCCC(=O)N 209d3611405f2ed350d85bfbe6f66529 [0,2,0,0,0,0|1,0,0]=3 6562 B13R0.54 C/C=C\COCCCCCCC(=O)O 7d02958141bdebac75f333c4f98ade73 [0,2,0,0,0,0|0,0,0]=2 6563 B13R0.54 C/C=C\COCCCCCOC(=O)C b8e206fc2107eaf5a1006c43c49bbefd [0,2,0,0,0,0|2,0,0]=4 6564 B13R0.54 C/C=C\COCCSSCCC(=O)O c898ca429205fa7f98251a9e6e36aa24 [0,2,0,0,0,0|2,0,0]=4 6565 B13R0.54 C=C/C=C/CCNCCCCC(=O)C b3d29ee10e185e4ebe55e854a6ca58f6 [0,2,0,0,0,0|1,0,1]=4 6566 B13R0.54 C=C/C=C/CCNCCCCC(=O)N 885fdb3125ef21e485dc09714e17c178 [0,2,0,0,0,0|1,0,1]=4 6567 B13R0.54 C=C/C=C/CCNCCCCC(=O)O a1482846dadc8f65b4d2511a48ed6cc6 [0,2,0,0,0,0|0,0,1]=3 6568 B13R0.54 C=C/C=C/CCNCCOCC(=O)O 77ceb779f43d4eb2e7ef1f083c3c7b87 [0,2,0,0,0,0|0,0,2]=4 6569 B13R0.54 C=C=CCCOCCCCCC(=O)C e0072bca3e852b0d9052bc6db1854556 [0,2,0,0,0,0|1,0,0]=3 6570 B13R0.54 C=C=CCCOCCCCCC(=O)N 182c41ed85876cb5ee912d19e077b4cd [0,2,0,0,0,0|1,0,0]=3 6571 B13R0.54 C=C=CCCOCCCCCC(=O)O c26988884a8f5d3911f91e87eb5acd2f [0,2,0,0,0,0|0,0,0]=2 6572 B13R0.54 C=C=CCCOCCCCOC(=O)C e1278a79dbde15a354e7e79a585ee840 [0,2,0,0,0,0|2,0,0]=4 6573 B13R0.54 C=C=CCCOCCCCSC(=O)C 438f9a6e10d861817520c741f972b850 [0,2,0,0,0,0|2,0,0]=4 6574 B13R0.54 C=C=CCCOCCCOCC(=O)O ffa35c25a08fe7f7eb861bbccf740e0a [0,2,0,0,0,0|1,0,0]=3 6575 B13R0.54 C=C=CCCOCCOCCC(=O)O 27b2d08fec17b2ef987ef190480b0ffc [0,2,0,0,0,0|1,0,0]=3 6576 B13R0.54 C=CCC#CCCOCCCC(=O)C bd4c7fc3ef716adac97033115d44e8b9 [0,2,0,0,0,0|1,0,1]=4 6577 B13R0.54 C=CCC#CCCOCCCC(=O)N 8f87633301cbe7d7f2f733ce3a728217 [0,2,0,0,0,0|1,0,1]=4 6578 B13R0.54 C=CCC#CCCOCCCC(=O)O 29a6401dbb86957e51f4e8f2a8c0656a [0,2,0,0,0,0|0,0,1]=3 6579 B13R0.54 C=CCCC/C=C/COCCC(=O)C b3e2dda9894ee7837c29ca1687e98747 [0,2,0,0,0,0|1,0,1]=4 6580 B13R0.54 C=CCCC/C=C/COCCC(=O)N cfc9b02ada2c154e6ee0df741ae26924 [0,2,0,0,0,0|1,0,1]=4 6581 B13R0.54 C=CCCC/C=C/COCCC(=O)O e0ff685c2a4091e9cfabb905c85f5214 [0,2,0,0,0,0|0,0,1]=3 6582 B13R0.54 C=CCCCCCCCNCC(=C)Br 83f7a93cba373bf243b222d03e93b9cf [0,2,0,0,0,0|2,0,0]=4 6583 B13R0.54 C=CCCCCCCCNCC(=C)C 6438941c0e8e545fef0b4983a064fb99 [0,2,0,0,0,0|2,0,0]=4 6584 B13R0.54 C=CCCCCCCCNCC(=O)C 545bff833443d8cf106768ee532bb92a [0,2,0,0,0,0|1,0,0]=3 6585 B13R0.54 C=CCCCCCCCNCC(=O)N 484cc53a71ebae8fe605b629f15c10ca [0,2,0,0,0,0|1,0,0]=3 6586 B13R0.54 C=CCCCCCCCNCC(=O)O 89ecb943c5e46a2395ce72e8595a174a [0,2,0,0,0,0|0,0,0]=2 6587 B13R0.54 C=CCCCCCCCNCC(C)O 5c891dbfdbfa78583ca4010fee2136fb [0,2,0,0,0,0|1,0,1]=4 6588 B13R0.54 C=CCCCCCCCNC[C@@H](C)O fb21298d6246cbb83fedaeb2c7e35e97 [0,2,0,0,0,0|1,0,1]=4 6589 B13R0.54 C=CCCCCCCCNC[C@H](C)O a5cb3ca699075a78037552cb2fbf8e06 [0,2,0,0,0,0|1,0,1]=4 6590 B13R0.54 C=CCCCCCCCOCC(=C)Br 4538e1819e8d797f1341549acb167800 [0,2,0,0,0,0|2,0,0]=4 6591 B13R0.54 C=CCCCCCCCOCC(=C)C d32a3be087d4e32aa1c1417892c894dd [0,2,0,0,0,0|2,0,0]=4 6592 B13R0.54 C=CCCCCCCCOCC(=C)Cl 4f9991d7581ac5d0068448f9c7ae9b34 [0,2,0,0,0,0|2,0,0]=4 6593 B13R0.54 C=CCCCCCCCOCC(=C)F a1bc69df78884c553c4511225d484db2 [0,2,0,0,0,0|2,0,0]=4 6594 B13R0.54 C=CCCCCCCCOCC(=C)I f6d9e8b8df550894e4ab5f967eb8aa79 [0,2,0,0,0,0|2,0,0]=4 6595 B13R0.54 C=CCCCCCCCOCC(=O)C 4c6e91316291f2a5dcea50d5033b2094 [0,2,0,0,0,0|1,0,0]=3 6596 B13R0.54 C=CCCCCCCCOCC(=O)N 88d34f8ea328a9c0e7a36e4bc8409f2f [0,2,0,0,0,0|1,0,0]=3 6597 B13R0.54 C=CCCCCCCCOCC(=O)O 29d0d836162cb0d473d31b710e38c872 [0,2,0,0,0,0|0,0,0]=2 6598 B13R0.54 C=CCCCCCCCOCC(=S)N ea2ba74e236238c27497579a9e86f55a [0,2,0,0,0,0|1,1,0]=4 6599 B13R0.54 C=CCCCCCCCOCS(=O)O db960a5042669c57594b2d4a94a210ba [0,2,0,0,0,0|1,0,0]=3 6600 B13R0.54 C=CCCCCCCCOC[N+](=O)[O-] 102fcac4fd85b4e8a4d74f9a2e2479a6 [0,2,0,0,0,0|1,0,1]=4 6601 B13R0.54 C=CCCCCCCNCC=C(C)C 1a174b4194cab5c8e8e55bc8278e9fb0 [0,2,0,0,0,0|2,0,0]=4 6602 B13R0.54 C=CCCCCCCNCCC(=C)C 754389800af07f340f816a14a763aa89 [0,2,0,0,0,0|2,0,0]=4 6603 B13R0.54 C=CCCCCCCNCCC(=O)N b6ebb1992d9185a806f0be232da92fee [0,2,0,0,0,0|1,0,0]=3 6604 B13R0.54 C=CCCCCCCNCCC(=O)O 40623d0077825348c0acbdef29bd7a28 [0,2,0,0,0,0|0,0,0]=2 6605 B13R0.54 C=CCCCCCCNCCC(=S)N 622296dcdafcaa7fcda955f73cfb08eb [0,2,0,0,0,0|1,1,0]=4 6606 B13R0.54 C=CCCCCCCNCCC(C)O d5b38a7e561c62bba4dc2eb470aa1ff5 [0,2,0,0,0,0|1,0,1]=4 6607 B13R0.54 C=CCCCCCCNCCS(=O)C ed4a97aa9027b62610ba1fec18635955 [0,2,0,0,0,0|2,0,0]=4 6608 B13R0.54 C=CCCCCCCNCCS(=O)O 3a4240b7f0ea776557851d93a4264768 [0,2,0,0,0,0|1,0,0]=3 6609 B13R0.54 C=CCCCCCCNCC[C@@H](C)O 0165f3f443ed5861fa0db604b9a98506 [0,2,0,0,0,0|1,0,1]=4 6610 B13R0.54 C=CCCCCCCNCC[C@H](C)O d258df75746453a400cbb9e3b875d5fb [0,2,0,0,0,0|1,0,1]=4 6611 B13R0.54 C=CCCCCCCOC/C=C(/C)\Cl 15a8d0071349fe03c87198994a72ce1b [0,2,0,0,0,0|2,0,0]=4 6612 B13R0.54 C=CCCCCCCOC/C=C(/C)\I 3ed4aa16528b6808712779366b9a71a3 [0,2,0,0,0,0|2,0,0]=4 6613 B13R0.54 C=CCCCCCCOC/C=C(\C)/Cl 4ff0fb771a3793c18049e8ca11c3bf07 [0,2,0,0,0,0|2,0,0]=4 6614 B13R0.54 C=CCCCCCCOCC=C(C)C f5516ce5d2ec00b0088f98ebb84722df [0,2,0,0,0,0|2,0,0]=4 6615 B13R0.54 C=CCCCCCCOCC=C(C)Cl 86b75bb827380564049959c2ab2a9bc6 [0,2,0,0,0,0|2,0,0]=4 6616 B13R0.54 C=CCCCCCCOCC=C(C)I 2c9789f5889516547c978544c0751e16 [0,2,0,0,0,0|2,0,0]=4 6617 B13R0.54 C=CCCCCCCOCC=C(Cl)Cl 43dc775e8ce01cc7e508f0bf708f00a9 [0,2,0,0,0,0|2,0,0]=4 6618 B13R0.54 C=CCCCCCCOCCC(=C)Br 17dae0b40d64874feff04e8619b7cc30 [0,2,0,0,0,0|2,0,0]=4 6619 B13R0.54 C=CCCCCCCOCCC(=C)C da21cbaab6b3a1c8e37ff8e43a45c871 [0,2,0,0,0,0|2,0,0]=4 6620 B13R0.54 C=CCCCCCCOCCC(=O)C a7cd3e93286e1035ee67c53623164255 [0,2,0,0,0,0|1,0,0]=3 6621 B13R0.54 C=CCCCCCCOCCC(=O)N 2e5d3196af8aff50b20407ff58d14879 [0,2,0,0,0,0|1,0,0]=3 6622 B13R0.54 C=CCCCCCCOCCC(=O)O f28e5e2984412a3153b6cbaeb74269d1 [0,2,0,0,0,0|0,0,0]=2 6623 B13R0.54 C=CCCCCCCOCCS(=O)C 2b44c21e5fbbdd447de0201cc3338714 [0,2,0,0,0,0|2,0,0]=4 6624 B13R0.54 C=CCCCCCCOCC[N+](=O)[O-] a018e79172629f9a5e057dd5ba6052cc [0,2,0,0,0,0|1,0,1]=4 6625 B13R0.54 C=CCCCCCCOCNC(=O)C 94250b608165c7587935afa7eaa4d952 [0,2,0,0,0,0|1,0,0]=3 6626 B13R0.54 C=CCCCCCCOCNC(=O)N 4172a27d67622fdaae11c9ed61899163 [0,2,0,0,0,0|1,0,0]=3 6627 B13R0.54 C=CCCCCCCOCOC(=O)C 6424d3874fda5636301d6c10324e4a7e [0,2,0,0,0,0|1,0,0]=3 6628 B13R0.54 C=CCCCCCCOCSC(=O)N f89e69d23ffbe9d8463772eefdb9d84a [0,2,0,0,0,0|1,0,0]=3 6629 B13R0.54 C=CCCCCCNC/C=C/C(=O)O 4e26cc1a503458ffa299ffe49168d19d [0,2,0,0,0,0|0,0,1]=3 6630 B13R0.54 C=CCCCCCNCC#CC(=O)N b6238c90fd3ae37c75a056ccc8b366c4 [0,2,0,0,0,0|1,0,1]=4 6631 B13R0.54 C=CCCCCCNCC#CC(=O)O 2b8d92419dc97be615f4710ad4b945ee [0,2,0,0,0,0|0,0,1]=3 6632 B13R0.54 C=CCCCCCNCC=CC(=O)O 70a1c79c565221e6f9f8cf65ff9ef487 [0,2,0,0,0,0|0,0,1]=3 6633 B13R0.54 C=CCCCCCNCCC=C(C)C b7e099fb540d0fd95da767a6dc360fd2 [0,2,0,0,0,0|2,0,0]=4 6634 B13R0.54 C=CCCCCCNCCC=C(F)F ce5ec3087cb390d593939ea6747dbdab [0,2,0,0,0,0|2,0,0]=4 6635 B13R0.54 C=CCCCCCNCCCC(=C)C 3d4a4227b9f57ba67507f533618683e8 [0,2,0,0,0,0|2,0,0]=4 6636 B13R0.54 C=CCCCCCNCCCC(=O)C bd70f539ddf94838d494465449a58d95 [0,2,0,0,0,0|1,0,0]=3 6637 B13R0.54 C=CCCCCCNCCCC(=O)N 6438e11716db446a99bdcbb172691692 [0,2,0,0,0,0|1,0,0]=3 6638 B13R0.54 C=CCCCCCNCCCC(=O)O d02685caf2f6305309caa6d70249f28c [0,2,0,0,0,0|0,0,0]=2 6639 B13R0.54 C=CCCCCCNCCCC(C)O a20cbd88d011cd887a35fd846cb4a2c0 [0,2,0,0,0,0|1,0,1]=4 6640 B13R0.54 C=CCCCCCNCCCS(=O)C 17d39ff1ca43e1106afdcfb4fee29a4e [0,2,0,0,0,0|2,0,0]=4 6641 B13R0.54 C=CCCCCCNCCC[N+](=O)[O-] b8c5953f150c283c344db2384faa8d9e [0,2,0,0,0,0|1,0,1]=4 6642 B13R0.54 C=CCCCCCNCCNC(=O)C f80bdf32c8206cb77865db09109eb020 [0,2,0,0,0,0|1,0,0]=3 6643 B13R0.54 C=CCCCCCNCCNC(=O)N 5127c9879628cc1e0f242980dae7cca0 [0,2,0,0,0,0|1,0,0]=3 6644 B13R0.54 C=CCCCCCNCCNC(=S)N 044b4084af7082bc2bcadbfd8921a70b [0,2,0,0,0,0|1,1,0]=4 6645 B13R0.54 C=CCCCCCNCCOC(=O)C fe3b4208336c2102bf9060f65532d255 [0,2,0,0,0,0|1,0,0]=3 6646 B13R0.54 C=CCCCCCNCCSC(=O)C d1a8546f3157afdcb6f2f32e2a230411 [0,2,0,0,0,0|1,0,0]=3 6647 B13R0.54 C=CCCCCCOC/C=C/C(=O)O ca326c19483b32fc37ab24fb1e5a384b [0,2,0,0,0,0|0,0,1]=3 6648 B13R0.54 C=CCCCCCOCC#CC(=O)O e0688d9972079e28205d48c465fbb20c [0,2,0,0,0,0|0,0,1]=3 6649 B13R0.54 C=CCCCCCOCC=CC(=O)O 3730094e3d4da3edb60e60f8757a553b [0,2,0,0,0,0|0,0,1]=3 6650 B13R0.54 C=CCCCCCOCCC=C(C)C 5666cc93878cf29cb372796b36afacc0 [0,2,0,0,0,0|2,0,0]=4 6651 B13R0.54 C=CCCCCCOCCC=C(F)F ba942e6c9f9d64560695469a7a275768 [0,2,0,0,0,0|2,0,0]=4 6652 B13R0.54 C=CCCCCCOCCCC(=C)C ac067c0f65b473612ac204e93fbc1e95 [0,2,0,0,0,0|2,0,0]=4 6653 B13R0.54 C=CCCCCCOCCCC(=O)C e8038af0193989a4e5469530300ae29f [0,2,0,0,0,0|1,0,0]=3 6654 B13R0.54 C=CCCCCCOCCCC(=O)N 397f6a480d287132cb5d319e524c07da [0,2,0,0,0,0|1,0,0]=3 6655 B13R0.54 C=CCCCCCOCCCC(=O)O 250535328e53089233094a7909168d69 [0,2,0,0,0,0|0,0,0]=2 6656 B13R0.54 C=CCCCCCOCCC[N+](=O)[O-] 76a30544b95e35432b6fd25f4b395f19 [0,2,0,0,0,0|1,0,1]=4 6657 B13R0.54 C=CCCCCCOCCNC(=O)C df740b7e1c38e405e2cf2f13c071d280 [0,2,0,0,0,0|1,0,0]=3 6658 B13R0.54 C=CCCCCCOCCNC(=O)N 5aa8af68402e859441211a564a944a6d [0,2,0,0,0,0|1,0,0]=3 6659 B13R0.54 C=CCCCCCOCCNC(=S)N fc789e3d3b69ca324901291bdb7b38f9 [0,2,0,0,0,0|1,1,0]=4 6660 B13R0.54 C=CCCCCCOCCOC(=O)C 9785a62c46d4276dfa86b5d8c341cc39 [0,2,0,0,0,0|1,0,0]=3 6661 B13R0.54 C=CCCCCCOCCSC(=O)C fe3fb4d717a46b6762f902cb02ed56a0 [0,2,0,0,0,0|1,0,0]=3 6662 B13R0.54 C=CCCCCNCCCCC(=O)C d41d908c5727f21ad0fde431ab0fdca4 [0,2,0,0,0,0|1,0,0]=3 6663 B13R0.54 C=CCCCCNCCCCC(=O)N d2df9e9108eaa0b58b227b74520afe75 [0,2,0,0,0,0|1,0,0]=3 6664 B13R0.54 C=CCCCCNCCCCC(=O)O 0dda6b33e26e17e1292ffb365cdbe7cb [0,2,0,0,0,0|0,0,0]=2 6665 B13R0.54 C=CCCCCNCCCCC(C)O 741e00e09a0253ed2719aaaa4631c0c3 [0,2,0,0,0,0|1,0,1]=4 6666 B13R0.54 C=CCCCCNCCCC[C@@H](C)O bbc6175a5755dce3e4af1eae529b411e [0,2,0,0,0,0|1,0,1]=4 6667 B13R0.54 C=CCCCCNCCCNC(=O)C ce27d03247a75a3798e9c954a9bd99aa [0,2,0,0,0,0|1,0,0]=3 6668 B13R0.54 C=CCCCCNCCCOC(=O)C ef66d2667ddd5642700d219a0a79306d [0,2,0,0,0,0|1,0,0]=3 6669 B13R0.54 C=CCCCCNCCCOC(=S)C 4e16f4551179aa38af7276ccee57bc8a [0,2,0,0,0,0|1,1,0]=4 6670 B13R0.54 C=CCCCCNCCCSC(=O)C 99f0d9b31d4a71408c7d5c372dc4e70f [0,2,0,0,0,0|1,0,0]=3 6671 B13R0.54 C=CCCCCNCCOCC(=O)N 2a355992ca2f5cadb9b4a2ad6f56c45a [0,2,0,0,0,0|1,0,0]=3 6672 B13R0.54 C=CCCCCNCCOCC(=O)O 29fb24990d3cfb7cd760c2f0bb847285 [0,2,0,0,0,0|0,0,0]=2 6673 B13R0.54 C=CCCCCNCCSCC(=O)O 8929348e394044293c50f8be6dc116fa [0,2,0,0,0,0|0,0,0]=2 6674 B13R0.54 C=CCCCCOCCC#CC(=O)O 06fb562308c56eb2fd0d0d2a5e5b21c8 [0,2,0,0,0,0|0,0,1]=3 6675 B13R0.54 C=CCCCCOCCCCC(=O)C b7640ebdd39609d711d1f37ebddf0d3f [0,2,0,0,0,0|1,0,0]=3 6676 B13R0.54 C=CCCCCOCCCCC(=O)N ff2e6abba11e823aee5f3eb7df62c824 [0,2,0,0,0,0|1,0,0]=3 6677 B13R0.54 C=CCCCCOCCCCC(=O)O 48799189ed07b5cf7b72e7b6dfb57ce3 [0,2,0,0,0,0|0,0,0]=2 6678 B13R0.54 C=CCCCCOCCCC[N+](=O)[O-] d6ab9ea8159153cfa2652adc3326ef86 [0,2,0,0,0,0|1,0,1]=4 6679 B13R0.54 C=CCCCCOCCCNC(=O)C d38b0c0f17063544e26f616ee48ce713 [0,2,0,0,0,0|1,0,0]=3 6680 B13R0.54 C=CCCCCOCCCOC(=O)C 14a98695471e676ce6e1832c0a184305 [0,2,0,0,0,0|1,0,0]=3 6681 B13R0.54 C=CCCCCOCCCOC(=S)C 617bbd81a5140c7520ddabefef20e236 [0,2,0,0,0,0|1,1,0]=4 6682 B13R0.54 C=CCCCCOCCCO[N+](=O)[O-] ae2e38b1cd7768926377128d35c11668 [0,2,0,0,0,0|1,0,1]=4 6683 B13R0.54 C=CCCCCOCCCSC(=O)C c5f22294cae40c415fe8db78a38a54a4 [0,2,0,0,0,0|1,0,0]=3 6684 B13R0.54 C=CCCCCOCCOCC(=C)C 06c9b105efeed4dba20c3f4662c31778 [0,2,0,0,0,0|2,0,0]=4 6685 B13R0.54 C=CCCCCOCCOCC(=O)N e501a5accfcb1cdb9ab4f9d3873f6eb5 [0,2,0,0,0,0|1,0,0]=3 6686 B13R0.54 C=CCCCCOCCOCC(=O)O f129e4e4ac3a0fe054beb9698f973023 [0,2,0,0,0,0|0,0,0]=2 6687 B13R0.54 C=CCCCCOCCSCC(=O)N 95aa407b9952e66293bdf21a6d7824d5 [0,2,0,0,0,0|1,0,0]=3 6688 B13R0.54 C=CCCCNCCCCCC(=O)C 85ff35d6ebaac4d36f6ffa8a5ccc1d2b [0,2,0,0,0,0|1,0,0]=3 6689 B13R0.54 C=CCCCNCCCCCC(=O)N 9012ea4113784c1a2ced8ac3b2646f1d [0,2,0,0,0,0|1,0,0]=3 6690 B13R0.54 C=CCCCNCCCCCC(=O)O 672b7c0d8ade97823be382372cb6cdfa [0,2,0,0,0,0|0,0,0]=2 6691 B13R0.54 C=CCCCNCCCCNC(=O)C cae9532fdac02dc8f42d205a8d5b579a [0,2,0,0,0,0|1,0,0]=3 6692 B13R0.54 C=CCCCNCCCCOC(=O)C 507a4922ef3158ebe5125413b31c6d0b [0,2,0,0,0,0|1,0,0]=3 6693 B13R0.54 C=CCCCNCCCCSC(=O)C 2ecd669a978e1545f735d7ba720246fe [0,2,0,0,0,0|1,0,0]=3 6694 B13R0.54 C=CCCCNCCCOCC(=O)O c25cd92789bc55958c2581bc69951bae [0,2,0,0,0,0|0,0,0]=2 6695 B13R0.54 C=CCCCNCCOCCC(=O)O 45915f6438aca35421e4f5b5bbfffcdd [0,2,0,0,0,0|0,0,0]=2 6696 B13R0.54 C=CCCCNCOCCOC(=O)C 27b2e8afb4c801f0158098a8d6a1c2d4 [0,2,0,0,0,0|2,0,0]=4 6697 B13R0.54 C=CCCCOCCCCCC(=O)C ce546ea4a433f3f1e14d7595f9bbabdc [0,2,0,0,0,0|1,0,0]=3 6698 B13R0.54 C=CCCCOCCCCCC(=O)N 4aaa6e30f51e3b95c4e654f2f5de0994 [0,2,0,0,0,0|1,0,0]=3 6699 B13R0.54 C=CCCCOCCCCCC(=O)O a172201e2e685bcece0174cb22dd0aba [0,2,0,0,0,0|0,0,0]=2 6700 B13R0.54 C=CCCCOCCCCOC(=O)C 0f5840581744d1c401ed043ec4214392 [0,2,0,0,0,0|1,0,0]=3 6701 B13R0.54 C=CCCCOCCCCSC(=O)C 0b4646626b9fc4d25d5bc9bc6f7d05f6 [0,2,0,0,0,0|1,0,0]=3 6702 B13R0.54 C=CCCCOCCCOCC(=O)O f59938cac07ac01704884089322f5c95 [0,2,0,0,0,0|0,0,0]=2 6703 B13R0.54 C=CCCCOCCCOCC(=S)N 8b1c7c845d09581d2517c450828af6d0 [0,2,0,0,0,0|1,1,0]=4 6704 B13R0.54 C=CCCCOCCOCCC(=O)O 06c98236024bf6f7346e6ac15903960e [0,2,0,0,0,0|0,0,0]=2 6705 B13R0.54 C=CCCCOCOCCOC(=O)C d955fbda85cd62ab75d3eb24b8c2fa1f [0,2,0,0,0,0|2,0,0]=4 6706 B13R0.54 C=CCCNCCCCCCC(=O)O 4b64da873e0496e5022b9553ef8bd047 [0,2,0,0,0,0|0,0,0]=2 6707 B13R0.54 C=CCCNCCCCCNC(=O)C 8a1474fe21b2a6ddc31862c0638fd686 [0,2,0,0,0,0|1,0,0]=3 6708 B13R0.54 C=CCCNCCCCCOC(=O)C 9e7014fb58e21510ad5e5caa2ca9e650 [0,2,0,0,0,0|1,0,0]=3 6709 B13R0.54 C=CCCNCCCSCCC(=O)N 07ead56ddaf96799c3be0fce03166e68 [0,2,0,0,0,0|1,0,0]=3 6710 B13R0.54 C=CCCNCCOCCOC(=O)C 9912a7cdc1f5fc57a2b246da3f46c9d8 [0,2,0,0,0,0|2,0,0]=4 6711 B13R0.54 C=CCCNCCSSCCC(=O)O 2733f31076989e369026fea2f7bfdc03 [0,2,0,0,0,0|1,0,0]=3 6712 B13R0.54 C=CCCOCCCCCCC(=O)N 0291c2bc38ffd3af1df31d9ea7d60e51 [0,2,0,0,0,0|1,0,0]=3 6713 B13R0.54 C=CCCOCCCCCCC(=O)O 8a421b669e136c9660708ebc2e71b5da [0,2,0,0,0,0|0,0,0]=2 6714 B13R0.54 C=CCCOCCCCCOC(=O)C 152218724f5719cfbdf8aeee264c9e85 [0,2,0,0,0,0|1,0,0]=3 6715 B13R0.54 C=CCCOCCOCCOC(=O)C 34beaa923e8186c3ddfcd8d5de864710 [0,2,0,0,0,0|2,0,0]=4 6716 B13R0.54 C=CCCOCCSSCCC(=O)O 66db2d40f42a66c647a2d878771d9a98 [0,2,0,0,0,0|1,0,0]=3 6717 B13R0.54 C=CCNCCCCCCCC(=O)O e1c861637e69d8155b0c93afce7c4c8b [0,2,0,0,0,0|0,0,0]=2 6718 B13R0.54 C=CCNCCCCCCNC(=O)C 73380b7f446180734b65adab443949e2 [0,2,0,0,0,0|1,0,0]=3 6719 B13R0.54 C=CCNCCOCCCCC(=O)O 2ebcca9c77fe21211feacc9681596663 [0,2,0,0,0,0|0,0,0]=2 6720 B13R0.54 C=CCNCCOCCOCC(=O)O b95561b39e24e42896bf9b8ca42da10c [0,2,0,0,0,0|1,0,0]=3 6721 B13R0.54 C=CCOCCCCCCCC(=O)C 3b011472d920385421ba5f95aab907e1 [0,2,0,0,0,0|1,0,0]=3 6722 B13R0.54 C=CCOCCCCCCCC(=O)O 1d53c51dbb0b7cdf1abeae577cc1bc5b [0,2,0,0,0,0|0,0,0]=2 6723 B13R0.54 C=CCOCCNCCCCC(=O)N 60ebd0a26c0c9f1a25672bf95bfa9f6c [0,2,0,0,0,0|1,0,0]=3 6724 B13R0.54 C=CCOCCNCCCCC(=O)O 21e33d181e86b423f3a49e5a886a70f0 [0,2,0,0,0,0|0,0,0]=2 6725 B13R0.54 C=CCOCCNCCCNC(=O)C 9108a7b9f2a3ff2646094dcb364e4d55 [0,2,0,0,0,0|2,0,0]=4 6726 B13R0.54 C=CCOCCNCCOCC(=O)O c929f1b3db46850297799c81bde6ffaf [0,2,0,0,0,0|1,0,0]=3 6727 B13R0.54 C=CCOCCNCCSCC(=O)O 12b725a547cb0b326276d4ca7722d50b [0,2,0,0,0,0|1,0,0]=3 6728 B13R0.54 C=CCOCCOCCC#CC(=O)O 66c1a8180c1a5e83dbdaa3ed34f5da06 [0,2,0,0,0,0|0,0,2]=4 6729 B13R0.54 C=CCOCCOCCCCC(=O)C ed5f52edebd28926ed6e991bc27eb50f [0,2,0,0,0,0|1,0,0]=3 6730 B13R0.54 C=CCOCCOCCCCC(=O)N dc9b580a20415abe1325417697347bb7 [0,2,0,0,0,0|1,0,0]=3 6731 B13R0.54 C=CCOCCOCCCCC(=O)O c2023a8c67bfa6366a318cdad8a2fffe [0,2,0,0,0,0|0,0,0]=2 6732 B13R0.54 C=CCOCCOCCCC[N+](=O)[O-] 8da36e7a73c25620a74bbcb5756681e8 [0,2,0,0,0,0|1,0,1]=4 6733 B13R0.54 C=CCOCCOCCCNC(=O)C 0af6413f57f1e724d33eea2435f04742 [0,2,0,0,0,0|2,0,0]=4 6734 B13R0.54 C=CCOCCOCCCOC(=O)C 36756120bad78f2126017cc682108132 [0,2,0,0,0,0|2,0,0]=4 6735 B13R0.54 C=CCOCCOCCCSC(=O)C 7ff690591e6b0863ba422dbff22b228e [0,2,0,0,0,0|2,0,0]=4 6736 B13R0.54 C=CCOCCOCCOCC(=O)N fbec07ffaaae9cd9cb1eb2442ae5a8ec [0,2,0,0,0,0|2,0,0]=4 6737 B13R0.54 C=CCOCCOCCOCC(=O)O 2cdccdc01fdc999130ed4eb0cf20ae90 [0,2,0,0,0,0|1,0,0]=3 6738 B13R0.54 C=CCOCCOCCSCC(=O)N 4a2f623eee837a5805e14b3741be40bf [0,2,0,0,0,0|2,0,0]=4 6739 B13R0.54 C=COCCCCOC/C=C/C(=O)O 1a7629f468463fbd2e68a80b64668e03 [0,2,0,0,0,0|0,0,2]=4 6740 B13R0.54 C=COCCCCOCC=CC(=O)O 6a8014b797aae27004ae6c3d2446c624 [0,2,0,0,0,0|0,0,2]=4 6741 B13R0.54 C=COCCCCOCCCC(=C)C 80b0a5bbafd13208eb3608bffb7f87b2 [0,2,0,0,0,0|2,0,0]=4 6742 B13R0.54 C=COCCCCOCCCC(=O)C a1cc11dc6ccfb70f2dc7897f548c9a4d [0,2,0,0,0,0|1,0,0]=3 6743 B13R0.54 C=COCCCCOCCCC(=O)N 37bfd5b7642bd5558058d81b84ae631c [0,2,0,0,0,0|1,0,0]=3 6744 B13R0.54 C=COCCCCOCCCC(=O)O 07a094fa6e8871cc9025d414a5db5919 [0,2,0,0,0,0|0,0,0]=2 6745 B13R0.54 C=COCCCCOCCC[N+](=O)[O-] 8c2a4ca7a90ed8dfdef0477b290f2ede [0,2,0,0,0,0|1,0,1]=4 6746 B13R0.54 C=COCCCCOCCNC(=O)C 93180ac17e30aa54c952b7d2ff3a8083 [0,2,0,0,0,0|2,0,0]=4 6747 B13R0.54 C=COCCCCOCCNC(=O)N c7e387075e3cd24ccaf8bd3576de7794 [0,2,0,0,0,0|2,0,0]=4 6748 B13R0.54 C=COCCCCOCCOC(=O)C c3ae833a7f765b88bac85e329287c477 [0,2,0,0,0,0|2,0,0]=4 6749 B13R0.54 C=COCCCCOCCSC(=O)C 0bf1156b8d8eed8bf1b6053129e1e8c1 [0,2,0,0,0,0|2,0,0]=4 6750 B13R0.54 C=COCCCNCCCCC(=O)C 264611af0907d7185c303be92fc6be68 [0,2,0,0,0,0|1,0,0]=3 6751 B13R0.54 C=COCCCNCCCCC(=O)N 9882d335dbdb79411083ed59ab687379 [0,2,0,0,0,0|1,0,0]=3 6752 B13R0.54 C=COCCCNCCCCC(=O)O 69a2781a390a4aacd7c66c1ab15a5922 [0,2,0,0,0,0|0,0,0]=2 6753 B13R0.54 C=COCCCNCCCCC(C)O 2ed6ed4374966ef7ee9fb7e86eb503dc [0,2,0,0,0,0|1,0,1]=4 6754 B13R0.54 C=COCCCNCCCC[C@@H](C)O de393ce7824e7405fdf1ad5587bc2324 [0,2,0,0,0,0|1,0,1]=4 6755 B13R0.54 C=COCCCNCCCNC(=O)C b189974a10f238c76cbe7f660a6dd9d7 [0,2,0,0,0,0|2,0,0]=4 6756 B13R0.54 C=COCCCNCCCOC(=O)C aa2aa8fe4faf445b41b32fdb540b3165 [0,2,0,0,0,0|2,0,0]=4 6757 B13R0.54 C=COCCCNCCCSC(=O)C db0338224721b71c73491c91f19d8411 [0,2,0,0,0,0|2,0,0]=4 6758 B13R0.54 C=COCCCNCCOCC(=O)N 3517f4e9a41335fd4ca7197e1c69194e [0,2,0,0,0,0|2,0,0]=4 6759 B13R0.54 C=COCCCNCCOCC(=O)O 2de524e9b5e8e93d51887dcf9e1f68ee [0,2,0,0,0,0|1,0,0]=3 6760 B13R0.54 C=COCCNCCCCCC(=O)C 58dccf9c9d4d617ffa497b1b49035840 [0,2,0,0,0,0|1,0,0]=3 6761 B13R0.54 C=COCCNCCCCCC(=O)N 21cfc234d2a5e2864fb6f303a1e12b67 [0,2,0,0,0,0|1,0,0]=3 6762 B13R0.54 C=COCCNCCCCCC(=O)O bf20a5871bced85d1fdd6672ccf2a2cc [0,2,0,0,0,0|0,0,0]=2 6763 B13R0.54 C=COCCNCCCCOC(=O)C 73813b71db0aa1d1e05b5ffd18c7a967 [0,2,0,0,0,0|2,0,0]=4 6764 B13R0.54 C=COCCNCCCCSC(=O)C 75a18fe626f8c6dacc66d10e9f9ba687 [0,2,0,0,0,0|2,0,0]=4 6765 B13R0.54 C=COCCNCCCOCC(=O)O eebb5a3bb2b656884ce04f7709d896d1 [0,2,0,0,0,0|1,0,0]=3 6766 B13R0.54 C=COCCNCCOCCC(=O)O 0286e60dfedc41918a6c4760f03ade1b [0,2,0,0,0,0|1,0,0]=3 6767 B13R0.54 C=COCCOCCCCCC(=O)C 1d01cbfa6b4e4e8937ede181834aa6b6 [0,2,0,0,0,0|1,0,0]=3 6768 B13R0.54 C=COCCOCCCCCC(=O)N cd9e762a5644733f9615bc11eb4198d9 [0,2,0,0,0,0|1,0,0]=3 6769 B13R0.54 C=COCCOCCCCCC(=O)O a9757b0542364d291ffd68cc42b21afa [0,2,0,0,0,0|0,0,0]=2 6770 B13R0.54 C=COCCOCCCCOC(=O)C f28ae466521aa2d9c37efcf721df729e [0,2,0,0,0,0|2,0,0]=4 6771 B13R0.54 C=COCCOCCCCSC(=O)C e213cae0efcfda4b9058abf8a63d01fa [0,2,0,0,0,0|2,0,0]=4 6772 B13R0.54 C=COCCOCCCOCC(=O)O dc254a66dc70f5e80bb9905a1a074103 [0,2,0,0,0,0|1,0,0]=3 6773 B13R0.54 C=COCCOCCOCCC(=O)C 0541ac8b10f4fac11bc6723d6eb29dba [0,2,0,0,0,0|2,0,0]=4 6774 B13R0.54 C=COCCOCCOCCC(=O)N 04e3f1650faf29b5c6c3049605664806 [0,2,0,0,0,0|2,0,0]=4 6775 B13R0.54 C=COCCOCCOCCC(=O)O 88eca105fa1a85d8c818c22684a53cb1 [0,2,0,0,0,0|1,0,0]=3 6776 B13R0.54 CC#CCCCOCCCCC(=O)O 0ac88bfb4ea142cb8a1be6263de3f018 [0,2,0,0,0,0|0,0,2]=4 6777 B13R0.54 CC#CCCOCCCCCC(=O)O 96ae3644ba241d2aa2c4949207664ca8 [0,2,0,0,0,0|0,0,2]=4 6778 B13R0.54 CC(=O)CCCCCCCOCC=O e7ecb1321db70e6701f0a62908149d4c [0,2,0,0,0,0|1,0,1]=4 6779 B13R0.54 CC(=O)CCCCCOC/C=C/C=O f630a825ec36496b4869e99849696b48 [0,2,0,0,0,0|1,0,1]=4 6780 B13R0.54 CC(=O)CCCCCOCCCC=O 9f0e023a846e514ca117cae96e63bdf5 [0,2,0,0,0,0|1,0,1]=4 6781 B13R0.54 CC(=O)CCCCCOCCNC=O e65d7da6766df6203ef8d0974c27f9df [0,2,0,0,0,0|2,0,0]=4 6782 B13R0.54 CC(=O)CCCCCOCCOC=O 8a390054f0a4b41b7bddae39eba7de32 [0,2,0,0,0,0|2,0,0]=4 6783 B13R0.54 CC(=O)CCCCOCCCCC=O 48667e937dcfec950b71cf152e1f551d [0,2,0,0,0,0|1,0,1]=4 6784 B13R0.54 CC(=O)CCCCOCCOCC=O 32205e96e4414ba080b1316118f86100 [0,2,0,0,0,0|2,0,0]=4 6785 B13R0.54 CC(=O)CCCOCCCCCC=O 5158a9073d77d77ecd06ab809bed4431 [0,2,0,0,0,0|1,0,1]=4 6786 B13R0.54 CC(=O)CCOCCCCCCC=O 410ff14da906325a441de34ecf71ce9b [0,2,0,0,0,0|1,0,1]=4 6787 B13R0.54 CC(=O)NCCCCCCNCC=O fb7a29acf0b3a3d1fb0ba8bc76e8d30b [0,2,0,0,0,0|2,0,0]=4 6788 B13R0.54 CC(=O)NCCCCCNC/C=C/Cl c4d97d68dccb5ad0cf91fe7e42f32964 [0,2,0,0,0,0|2,0,0]=4 6789 B13R0.54 CC(=O)NCCCCCNC/C=C\Cl fe4cee41cb0dda5657aadee4183df873 [0,2,0,0,0,0|2,0,0]=4 6790 B13R0.54 CC(=O)NCCCCCNC/C=C\O 71c8a7c24868586a28e123bd21b73766 [0,2,0,0,0,0|2,0,0]=4 6791 B13R0.54 CC(=O)NCCCCCNCCC=O d6477cfa839a130ee0c3df629b54f0ba [0,2,0,0,0,0|2,0,0]=4 6792 B13R0.54 CC(=O)NCCCCNCCCC=O 5d74b251b0788a2f78c7ca7bed33f5c8 [0,2,0,0,0,0|2,0,0]=4 6793 B13R0.54 CC(=O)NCCCNCCCCC=O 08fd32b9c07f64480579095750da2157 [0,2,0,0,0,0|2,0,0]=4 6794 B13R0.54 CC(=O)NCCCOCCCCC=O 3c471664b5e4eb879d45cc60c5951356 [0,2,0,0,0,0|2,0,0]=4 6795 B13R0.54 CC(=O)NCCNCCCCCC=O 756e0ea8e81241c193488fe523e9c237 [0,2,0,0,0,0|2,0,0]=4 6796 B13R0.54 CC(=O)NCCOCCCCCC=O f813c86d8a4de96337db2c57ff32af6f [0,2,0,0,0,0|2,0,0]=4 6797 B13R0.54 CC(=O)NCOCCCCCCC=O f314b750df9aa37a519705e653ac549b [0,2,0,0,0,0|2,0,0]=4 6798 B13R0.54 CC(=O)OCCCCCOC/C=C/Cl 3b7e14dc6a63cffc7b99dbdb2e243880 [0,2,0,0,0,0|2,0,0]=4 6799 B13R0.54 CC(=O)OCCCCCOCC=CCl d1d670415607d748ba0d25119a1c462c [0,2,0,0,0,0|2,0,0]=4 6800 B13R0.54 CC(=O)OCCCCCOCCC=O bd20cd42bbab4b19ebbb865e9125e93d [0,2,0,0,0,0|2,0,0]=4 6801 B13R0.54 CC(=O)OCCCCOCCCC=O 5b424a382a18ea92dc3ddb7185c6742d [0,2,0,0,0,0|2,0,0]=4 6802 B13R0.54 CC(=O)OCCCOCCCCC=O 4264503ab6c06539bfaf50f4dc472ffc [0,2,0,0,0,0|2,0,0]=4 6803 B13R0.54 CC(=O)OCCOCCCCCC=O 302b03b2d66e5b3eba6c005889da3e93 [0,2,0,0,0,0|2,0,0]=4 6804 B13R0.54 CC(=O)SCCCCOCCCC=O b9b4951806ae8655aea81adcce852069 [0,2,0,0,0,0|2,0,0]=4 6805 B13R0.54 CC(=O)SCCCOCCCCC=O 58bbf20ab65094a7de1053c26fca2d8d [0,2,0,0,0,0|2,0,0]=4 6806 B13R0.54 CC/C=C/CCOCCCCC(=O)C 958818d1624543f92a9a4221774b6fdd [0,2,0,0,0,0|2,0,0]=4 6807 B13R0.54 CC/C=C/CCOCCCCC(=O)N 11e0a4d629a5082ac4c765bd928ea85c [0,2,0,0,0,0|2,0,0]=4 6808 B13R0.54 CC/C=C/CCOCCCCC(=O)O 6d3d6a530a590bb98b8b985c3d329dba [0,2,0,0,0,0|1,0,0]=3 6809 B13R0.54 CC/C=C/CCOCCOCC(=O)O 9e447daf1d020228913a8d3722f2bbf4 [0,2,0,0,0,0|2,0,0]=4 6810 B13R0.54 CC/C=C/CNCCCCCC(=O)N d32ba1481eb1637aafc28ef2d7c167b9 [0,2,0,0,0,0|2,0,0]=4 6811 B13R0.54 CC/C=C/CNCCCCCC(=O)O f3a76b6f8f5eb73bab5a261a215c62a1 [0,2,0,0,0,0|1,0,0]=3 6812 B13R0.54 CC/C=C/CNCCOCCC(=O)O 3939ae0c18bc1d01257d8030fd1cb266 [0,2,0,0,0,0|2,0,0]=4 6813 B13R0.54 CC/C=C/COCCCCCC(=O)C 5b4983684b974105549b0b8639b53c62 [0,2,0,0,0,0|2,0,0]=4 6814 B13R0.54 CC/C=C/COCCCCCC(=O)N db0db38c63924ea51a8b2f5b07b8275a [0,2,0,0,0,0|2,0,0]=4 6815 B13R0.54 CC/C=C/COCCCCCC(=O)O e53ba57e13ffbabc3cb94781f552de6f [0,2,0,0,0,0|1,0,0]=3 6816 B13R0.54 CC/C=C/COCCCOCC(=O)O 687f688bdfd0592acead070a6c298587 [0,2,0,0,0,0|2,0,0]=4 6817 B13R0.54 CC/C=C/COCCOCCC(=O)O 68abbee4c21442239a58e340b812ca92 [0,2,0,0,0,0|2,0,0]=4 6818 B13R0.54 CC/C=C\CCCCCNCC(=O)C 63f528784a07915d74ba37e16599f30e [0,2,0,0,0,0|2,0,0]=4 6819 B13R0.54 CC/C=C\CCCCCNCC(=O)N fc2cde7bbfae759cb99a9dd7716416d5 [0,2,0,0,0,0|2,0,0]=4 6820 B13R0.54 CC/C=C\CCCCCNCC(=O)O 6970fcb35a9ad7d0b1f79aa5b3314374 [0,2,0,0,0,0|1,0,0]=3 6821 B13R0.54 CC/C=C\CCCCCOCC(=O)C 44397a14773825992019615b71bfcff8 [0,2,0,0,0,0|2,0,0]=4 6822 B13R0.54 CC/C=C\CCCCCOCC(=O)N 578876483725a73caeb5e69e22241329 [0,2,0,0,0,0|2,0,0]=4 6823 B13R0.54 CC/C=C\CCCCCOCC(=O)O 1c3ce20294b4b21a884a0f400a64fd83 [0,2,0,0,0,0|1,0,0]=3 6824 B13R0.54 CC/C=C\CCCCCOCS(=O)O d93713bc94ff050e9919b3aa62121265 [0,2,0,0,0,0|2,0,0]=4 6825 B13R0.54 CC/C=C\CCCCOCCC(=O)C 915360da4ba396b7931619752998c7ef [0,2,0,0,0,0|2,0,0]=4 6826 B13R0.54 CC/C=C\CCCCOCCC(=O)N 6bc924b6b65602e4694dce9261589ed9 [0,2,0,0,0,0|2,0,0]=4 6827 B13R0.54 CC/C=C\CCCCOCCC(=O)O 113e77814231b52d4e9f580cb476c1f4 [0,2,0,0,0,0|1,0,0]=3 6828 B13R0.54 CC/C=C\CCCOCCCC(=O)C 5fced1c9760dcc272ccd33d603cbe2f3 [0,2,0,0,0,0|2,0,0]=4 6829 B13R0.54 CC/C=C\CCCOCCCC(=O)N fea494ca7b4fa1b571d9d9095949d2bd [0,2,0,0,0,0|2,0,0]=4 6830 B13R0.54 CC/C=C\CCCOCCCC(=O)O ad051ae1a4ba5e186fffa276ddb3e182 [0,2,0,0,0,0|1,0,0]=3 6831 B13R0.54 CC/C=C\CCNCCCCC(=O)N ac816137cebf30021c42e00ac90d5ffa [0,2,0,0,0,0|2,0,0]=4 6832 B13R0.54 CC/C=C\CCNCCCCC(=O)O dc066c102f17a0e79c5237f7386df4da [0,2,0,0,0,0|1,0,0]=3 6833 B13R0.54 CC/C=C\CCNCCOCC(=O)O 96f52de824d6a259ece72f0d234e46d6 [0,2,0,0,0,0|2,0,0]=4 6834 B13R0.54 CC/C=C\CCNCCSCC(=O)O 5721c32e653cdf5efbe87e1865a0fff1 [0,2,0,0,0,0|2,0,0]=4 6835 B13R0.54 CC/C=C\CCOCCCCC(=O)C c95bc83526e4ab454b898f3654e61c32 [0,2,0,0,0,0|2,0,0]=4 6836 B13R0.54 CC/C=C\CCOCCCCC(=O)N 04d1473ae7cdadbf614e8c47e2590f39 [0,2,0,0,0,0|2,0,0]=4 6837 B13R0.54 CC/C=C\CCOCCCCC(=O)O 887b9d860e90e9902a329caae3dabff7 [0,2,0,0,0,0|1,0,0]=3 6838 B13R0.54 CC/C=C\CCOCCOCC(=O)O 0cd3fb78d614469a97b969ae62f70801 [0,2,0,0,0,0|2,0,0]=4 6839 B13R0.54 CC/C=C\COCCCCCC(=O)C 1991df2c034028ffacbf9a2f2d71ef45 [0,2,0,0,0,0|2,0,0]=4 6840 B13R0.54 CC/C=C\COCCCCCC(=O)N df09315222ff759eebe4f16409804988 [0,2,0,0,0,0|2,0,0]=4 6841 B13R0.54 CC/C=C\COCCCCCC(=O)O 2c671f635485e786afedf29ffacbc910 [0,2,0,0,0,0|1,0,0]=3 6842 B13R0.54 CC/C=C\COCCCOCC(=O)O eb97a94ce222519925650290d79bc407 [0,2,0,0,0,0|2,0,0]=4 6843 B13R0.54 CC/C=C\COCCOCCC(=O)O 470050ac48fa83445249850362b68c14 [0,2,0,0,0,0|2,0,0]=4 6844 B13R0.54 CC=C=CCCOCCCCC(=O)C fb0ba5db29e3831c1d84aba63534030e [0,2,0,0,0,0|2,0,0]=4 6845 B13R0.54 CC=C=CCCOCCCCC(=O)N cbd2b07b2b1023606b3089f175246415 [0,2,0,0,0,0|2,0,0]=4 6846 B13R0.54 CC=C=CCCOCCCCC(=O)O 8cf087323c02becfeae828bd3ff68c85 [0,2,0,0,0,0|1,0,0]=3 6847 B13R0.54 CC=C=CCCOCCOCC(=O)O 1bed5c5527b48b15f0207b1ff55f96f1 [0,2,0,0,0,0|2,0,0]=4 6848 B13R0.54 CC=CC#CCCOCCCC(=O)O de52396c682395216e0edf4d64c62a59 [0,2,0,0,0,0|0,0,2]=4 6849 B13R0.54 CC=CC=CCOCCCCC(=O)O 1201fa3c3883084b11b72db286c14067 [0,2,0,0,0,0|0,0,2]=4 6850 B13R0.54 CC=CCCCOCCCCC(=O)C afaecc912ad1a96ce41075ec2c2002a5 [0,2,0,0,0,0|1,0,0]=3 6851 B13R0.54 CC=CCCCOCCCCC(=O)N 5f034e1a5367e17457749d1cd1f305e5 [0,2,0,0,0,0|1,0,0]=3 6852 B13R0.54 CC=CCCCOCCCCC(=O)O 75744128779cf2bd5126d08d11808890 [0,2,0,0,0,0|0,0,0]=2 6853 B13R0.54 CC=CCCCOCCCNC(=O)C a01611d02e28619f6fddb87842ba55ea [0,2,0,0,0,0|2,0,0]=4 6854 B13R0.54 CC=CCCCOCCCOC(=O)C ea68a7f224eca4afdcea879de88619ef [0,2,0,0,0,0|2,0,0]=4 6855 B13R0.54 CC=CCCCOCCCSC(=O)C 25dac98a3e378262bbbd7d757a95afcb [0,2,0,0,0,0|2,0,0]=4 6856 B13R0.54 CC=CCCCOCCOCC(=O)N 8662c18aba772087bd34123112b525b5 [0,2,0,0,0,0|2,0,0]=4 6857 B13R0.54 CC=CCCCOCCOCC(=O)O bfc061a66866c1db251c04d68914d5bc [0,2,0,0,0,0|1,0,0]=3 6858 B13R0.54 CC=CCNCCCCCCC(=O)O 2a39a2940e1b7a067b86a22e5ee4155c [0,2,0,0,0,0|0,0,0]=2 6859 B13R0.54 CC=CCNCCCCCOC(=O)C 01884dc34b2079a946352ed76fced8b4 [0,2,0,0,0,0|2,0,0]=4 6860 B13R0.54 CC=CCOCCCCCCC(=O)O 7153ef49f8943ae33521c665cfa1dbc6 [0,2,0,0,0,0|0,0,0]=2 6861 B13R0.54 CC=CCOCCCCCOC(=O)C 17972333f4ca193efd5606c5d690d6a4 [0,2,0,0,0,0|2,0,0]=4 6862 B13R0.54 CCC=CCCCCCOCC(=O)N 5f8e179b50d642c968b156a8193596c3 [0,2,0,0,0,0|2,0,0]=4 6863 B13R0.54 CCC=CCCCCCOCC(=O)O d369b199e9ceb9fc141a2db00430726c [0,2,0,0,0,0|1,0,0]=3 6864 B13R0.54 CCCCCCCCCNCC(=O)O 7fe37e42f1bd61b43c93a56a2716301b [0,2,0,0,0,0|0,0,2]=4 6865 B13R0.54 CCCCCCCCCOCC(=O)O b5ad244415d15ef7380ec5f81e97882f [0,2,0,0,0,0|0,0,2]=4 6866 B13R0.54 CCCCCCCCNCCC(=O)O f70b1cba9d4621f79ec6f5b876443aca [0,2,0,0,0,0|0,0,2]=4 6867 B13R0.54 CCCCCCCCOCCC(=O)O 4eb12bac98ba83059c97d141773c2d2d [0,2,0,0,0,0|0,0,2]=4 6868 B13R0.54 CCCCCCCNCCCC(=O)O fac3238cc1739210a7b8513266477d8d [0,2,0,0,0,0|0,0,2]=4 6869 B13R0.54 CCCCCCNCCCCC(=O)O e445001a0390334d700bc8760810bdaf [0,2,0,0,0,0|0,0,2]=4 6870 B13R0.54 CCCCCCNCCOCC(=O)O 7827f3e5e0ba885f24cc5448e6327eb1 [0,2,0,0,0,0|0,0,2]=4 6871 B13R0.54 CCCCCCOCCCCC(=O)O 2f8c57ac0872fb5b3975b9fd6011999d [0,2,0,0,0,0|0,0,2]=4 6872 B13R0.54 CCCCCCOCCOCC(=O)O 02c79f045b4217964a028e24a1820c5d [0,2,0,0,0,0|0,0,2]=4 6873 B13R0.54 CCCCCNCCCCCC(=O)O 2d45a8d9a3ca6b3d45a505049c07c00b [0,2,0,0,0,0|0,0,2]=4 6874 B13R0.54 CCCCCNCCCOCC(=O)O cbe8e5ae61905fa711263a6a8bcaa551 [0,2,0,0,0,0|0,0,2]=4 6875 B13R0.54 CCCCCNCCOCCC(=O)O c30a19889f0ad86d0f13d8348915b149 [0,2,0,0,0,0|0,0,2]=4 6876 B13R0.54 CCCCCOCCCCCC(=O)O 73594829d7b138694f1246f54efc0dcb [0,2,0,0,0,0|0,0,2]=4 6877 B13R0.54 CCCCCOCCCOCC(=O)O f7c9adee31a23ee516e6fc70d19aed3b [0,2,0,0,0,0|0,0,2]=4 6878 B13R0.54 CCCCCOCCOCCC(=O)O 34d2a4e77de6ce10ab9c0ae1578557d7 [0,2,0,0,0,0|0,0,2]=4 6879 B13R0.54 CCCCNCCCCCCC(=O)O c941cf8f4857351872a191e2efe59613 [0,2,0,0,0,0|0,0,2]=4 6880 B13R0.54 CCCCOCCCCCCC(=O)O b75a171cf0e6a144a5f8f048973de421 [0,2,0,0,0,0|0,0,2]=4 6881 B13R0.54 CCCCOCCCNCCC(=O)O f057db8c9f094a0ce88c9d20efad28e4 [0,2,0,0,0,0|0,0,2]=4 6882 B13R0.54 CCCCOCCCOCCC(=O)O 05e1bab649f45171a3598f27096a4f9e [0,2,0,0,0,0|0,0,2]=4 6883 B13R0.54 CCCCOCCNCCCC(=O)O 28f46a51828cf20923bb0fab3b4fa93f [0,2,0,0,0,0|0,0,2]=4 6884 B13R0.54 CCCCOCCOCCCC(=O)O a572fcc212b020f57bde54665708c29b [0,2,0,0,0,0|0,0,2]=4 6885 B13R0.54 CCCCOCNCCCCC(=O)O 22de1ea80c4d2a69cdb21fc92ca6a43a [0,2,0,0,0,0|0,0,2]=4 6886 B13R0.54 CCCCOCOCCCCC(=O)O 2e2d4abe4f01f56b4f339f2841c5b550 [0,2,0,0,0,0|0,0,2]=4 6887 B13R0.54 CCCCSCCOCCCC(=O)O 27ab2022d1215131056db44cd316db97 [0,2,0,0,0,0|0,0,2]=4 6888 B13R0.54 CCCNCCCCCCCC(=O)O 0f9021c0b19d2c73e2c6a10a540b9e3d [0,2,0,0,0,0|0,0,2]=4 6889 B13R0.54 CCCNCCOCCCCC(=O)O e07e43623a7413bf3ecf73faf5afaf62 [0,2,0,0,0,0|0,0,2]=4 6890 B13R0.54 CCCOCCCCCCCC(=O)O d399c858bdc8df17acbe58eee1e9c0da [0,2,0,0,0,0|0,0,2]=4 6891 B13R0.54 CCCOCCCNCCCC(=O)O 3af5bd1603c2e397f0fdc1e265612fc3 [0,2,0,0,0,0|0,0,2]=4 6892 B13R0.54 CCCOCCNCCCCC(=O)O e192c1b4e7866943d208a28058955df5 [0,2,0,0,0,0|0,0,2]=4 6893 B13R0.54 CCCOCCOCCCCC(=O)O 3fa74f061e892d8be1c8dce9d7b16989 [0,2,0,0,0,0|0,0,2]=4 6894 B13R0.54 CCCSCCCCNCCC(=O)O cf11b18f6ec3b46b299c666d9aee36fb [0,2,0,0,0,0|0,0,2]=4 6895 B13R0.54 CCCSCCOCCCCC(=O)O 352301f7c821bca6d3e9e5d117e988a4 [0,2,0,0,0,0|0,0,2]=4 6896 B13R0.54 CCNCCCCCCCCC(=O)O 056f8b683208a845493b246553c9bd4c [0,2,0,0,0,0|0,0,2]=4 6897 B13R0.54 CCOCCCCCCCCC(=O)O f71efee8afdc78f30a98612ae629fb40 [0,2,0,0,0,0|0,0,2]=4 6898 B13R0.54 CCOCCCNCCCCC(=O)O dcef957a36a290adeb9b8b4fe46ae14d [0,2,0,0,0,0|0,0,2]=4 6899 B13R0.54 CCOCCCOCCCCC(=O)O 47833c16aa828ee4d1a3dd45818ac60a [0,2,0,0,0,0|0,0,2]=4 6900 B13R0.54 CCOCCNCCCCCC(=O)O 4ffa3cf8bf84f4459b780772f44875e2 [0,2,0,0,0,0|0,0,2]=4 6901 B13R0.54 CCOCCOCCCCCC(=O)O 8dedefa0b7e651b9d0e5991fce469cbc [0,2,0,0,0,0|0,0,2]=4 6902 B13R0.54 CCSCCCCNCCCC(=O)O d8e63eab9521786528761209af297886 [0,2,0,0,0,0|0,0,2]=4 6903 B13R0.54 CCSCCCOCCCCC(=O)O f66f1b9121109bf9a49f10a569091706 [0,2,0,0,0,0|0,0,2]=4 6904 B13R0.54 CCSCCOCCCCCC(=O)O c6c550b830a040e29795e02e2c7e8f24 [0,2,0,0,0,0|0,0,2]=4 6905 B13R0.54 COCCCCCCNCCC(=O)O e39a7735e36c7c24df967aaff5087af2 [0,2,0,0,0,0|0,0,2]=4 6906 B13R0.54 COCCCCCCOCCC(=O)O 04d3d005e55f4fd8bcb957e224ced8c9 [0,2,0,0,0,0|0,0,2]=4 6907 B13R0.54 COCCCCCNCCCC(=O)O 613a84398088354e3f719e17a9d6a306 [0,2,0,0,0,0|0,0,2]=4 6908 B13R0.54 COCCCCNCCCCC(=O)O 18eee65b676c4c35c6831fff82abe11b [0,2,0,0,0,0|0,0,2]=4 6909 B13R0.54 COCCCCNCCOCC(=O)O 3e1cf8d2cd952de46ced0cea29c51e90 [0,2,0,0,0,0|1,0,1]=4 6910 B13R0.54 COCCCCNCCSCC(=O)O f5f7bd7c63e24a4c86d805422185bc90 [0,2,0,0,0,0|1,0,1]=4 6911 B13R0.54 COCCCCOCCCCC(=O)O 9a92992a074f3cde42b2c56b2370929e [0,2,0,0,0,0|0,0,2]=4 6912 B13R0.54 COCCCCOCCOCC(=O)O 92d37f5d6886e6269587843cf86e7578 [0,2,0,0,0,0|1,0,1]=4 6913 B13R0.54 COCCCNCCCCCC(=O)O d02ed54e53c8559aa099ecea3876d02b [0,2,0,0,0,0|0,0,2]=4 6914 B13R0.54 COCCCNCCCOCC(=O)O 34f1e79334b0a43ef0d3799e2d80247c [0,2,0,0,0,0|1,0,1]=4 6915 B13R0.54 COCCCNCCOCCC(=O)O 39795c4740e1f9b958d194cf69edd26a [0,2,0,0,0,0|1,0,1]=4 6916 B13R0.54 COCCCOCCCCCC(=O)O 47f36631dbe1ef5c8d4b489503f39dd0 [0,2,0,0,0,0|0,0,2]=4 6917 B13R0.54 COCCCOCCCOCC(=O)O b57249cb0f5a6e24e3e22c03ba4e0b03 [0,2,0,0,0,0|1,0,1]=4 6918 B13R0.54 COCCCOCCOCCC(=O)O 72ba8787ed590ab6178af9e3e055c547 [0,2,0,0,0,0|1,0,1]=4 6919 B13R0.54 COCCNCCCCCCC(=O)O fda96dfecf49ea1ee82a96f970f7f6eb [0,2,0,0,0,0|0,0,2]=4 6920 B13R0.54 COCCOCCCCCCC(=O)O 6d8abc2a5d8d534414d06d578a5d6590 [0,2,0,0,0,0|0,0,2]=4 6921 B13R0.54 COCCOCCCCNCC(=O)O ef622bc3708050c52315f145f5fb0cf7 [0,2,0,0,0,0|1,0,1]=4 6922 B13R0.54 COCCOCCCNCCC(=O)O f7a4dae2b5a307843b4cc247b644de24 [0,2,0,0,0,0|1,0,1]=4 6923 B13R0.54 COCCOCCCOCCC(=O)O 6174bf9fc0093357584aadbf8c4bb00b [0,2,0,0,0,0|1,0,1]=4 6924 B13R0.54 COCCOCCNCCCC(=O)O c0e91a73c50446e5c4fd0a8ab90dcbe3 [0,2,0,0,0,0|1,0,1]=4 6925 B13R0.54 COCCOCCOCCCC(=O)O a51c9591f0c005098685baa83daaf148 [0,2,0,0,0,0|1,0,1]=4 6926 B13R0.54 COCCOCNCCCCC(=O)O 3100a51e7fce26ca2ffbc5d1cdb6fc03 [0,2,0,0,0,0|1,0,1]=4 6927 B13R0.54 COCCOCOCCCCC(=O)O 62b76ce70942dc2138e0b6f00b8c8892 [0,2,0,0,0,0|1,0,1]=4 6928 B13R0.54 COCNCCCCCCCC(=O)O 8fbf3719e8a20062e8d3dcf9677dc3b3 [0,2,0,0,0,0|0,0,2]=4 6929 B13R0.54 COCNCCOCCCCC(=O)O 6dd945415c160c46232e67861d312a48 [0,2,0,0,0,0|1,0,1]=4 6930 B13R0.54 COCOCCCCCCCC(=O)O da93443a610969d76a15b3e40ada2493 [0,2,0,0,0,0|0,0,2]=4 6931 B13R0.54 COCOCCNCCCCC(=O)O f084df47d8806d9b98c0ad55ee729600 [0,2,0,0,0,0|1,0,1]=4 6932 B13R0.54 COCOCCOCCCCC(=O)O 7dae236c06ec04b64db166f32e784240 [0,2,0,0,0,0|1,0,1]=4 6933 B13R0.54 CSCCCCNCCOCC(=O)O a819d17378ac51fe6a79887368eef244 [0,2,0,0,0,0|1,0,1]=4 6934 B13R0.54 CSCCCCOCCCCC(=O)O ddd473eb0777f29e30309fe61b0d51e0 [0,2,0,0,0,0|0,0,2]=4 6935 B13R0.54 CSCCCCOCCOCC(=O)O 00659bbbeed033825d1513e9c0623d68 [0,2,0,0,0,0|1,0,1]=4 6936 B13R0.54 CSCCCNCCCCCC(=O)O 2332993ab42a88e89a375bbea2a07f0f [0,2,0,0,0,0|0,0,2]=4 6937 B13R0.54 CSCCCNCCCOCC(=O)O 48cbe53c5d325172e8c3874a3cab4abc [0,2,0,0,0,0|1,0,1]=4 6938 B13R0.54 CSCCCNCCOCCC(=O)O 759b22b5761eb694aea2d80be7ba5c33 [0,2,0,0,0,0|1,0,1]=4 6939 B13R0.54 CSCCCOCCCCCC(=O)O e3367dd54316b007622c2e61a6341a36 [0,2,0,0,0,0|0,0,2]=4 6940 B13R0.54 CSCCCOCCCOCC(=O)O e66b725d96a1b38cc3b041d9abfaf654 [0,2,0,0,0,0|1,0,1]=4 6941 B13R0.54 CSCCCOCCOCCC(=O)O 46b26ce9057498a5e6a7f8aecfc59e6d [0,2,0,0,0,0|1,0,1]=4 6942 B13R0.54 CSCCNCCCCCCC(=O)O d45bcaea8b549f3455648f0688edbb75 [0,2,0,0,0,0|0,0,2]=4 6943 B13R0.54 CSCCOCCCCCCC(=O)O 27221fe47154be770ad118f7c527364f [0,2,0,0,0,0|0,0,2]=4 6944 B13R0.54 CSCCOCCCNCCC(=O)O 53c2629ffc1c447391403ca96f1ddfb6 [0,2,0,0,0,0|1,0,1]=4 6945 B13R0.54 CSCNCCCCCCCC(=O)O 813c9ff45de6e9eae30edb07a3e73efc [0,2,0,0,0,0|0,0,2]=4 6946 B13R0.54 CSCNCCOCCCCC(=O)O 574c277130b4da4a08127c5129cabcb9 [0,2,0,0,0,0|1,0,1]=4 6947 B13R0.54 CSCOCCCCCCCC(=O)O 09cdb3c0dd952fa1c8d428c58a3b9dca [0,2,0,0,0,0|0,0,2]=4 6948 B13R0.54 CSCOCCOCCCCC(=O)O 9a57011eddde402e4f046b3a1d41670d [0,2,0,0,0,0|1,0,1]=4 6949 B13R0.54 N#CC=CCNCCCCCC(=O)N 768dbf31c351659def1343a65f1d69c7 [0,2,0,0,0,0|2,0,0]=4 6950 B13R0.54 N#CC=CCNCCCCCC(=O)O af722589a750f6d549623cadc1c1cfb0 [0,2,0,0,0,0|1,0,0]=3 6951 B13R0.54 N#CC=CCNCCOCCC(=O)O 126712e22ad9d10ff777e84376a15278 [0,2,0,0,0,0|2,0,0]=4 6952 B13R0.54 N#CC=CCOCCCCCC(=O)N 509a95e5732be9064064c4e5c1ba4e75 [0,2,0,0,0,0|2,0,0]=4 6953 B13R0.54 N#CC=CCOCCCCCC(=O)O 8a83bee80a69cd1a85478ac9ade52e86 [0,2,0,0,0,0|1,0,0]=3 6954 B13R0.54 N#CC=CCOCCOCCC(=O)O 90f6923cd36289327a876f5727eeaab8 [0,2,0,0,0,0|2,0,0]=4 6955 B13R0.54 N#CCCCCCCNCCC(=O)O bd961b48576603ccaf7a2d81510517be [0,2,0,0,0,0|0,0,2]=4 6956 B13R0.54 N#CCCCCCCOCCC(=O)O 059aaea23e56b72447c6f97c68119d40 [0,2,0,0,0,0|0,0,2]=4 6957 B13R0.54 N#CCCCCCNCCCC(=O)O acc9069612e34c21f7f851e3c0046b24 [0,2,0,0,0,0|0,0,2]=4 6958 B13R0.54 N#CCCCCCOCCCC(=O)O 5833d517f0004e6f23deb34b195e90cc [0,2,0,0,0,0|0,0,2]=4 6959 B13R0.54 N#CCCCCNCCCCC(=O)O 402c634f4a8f0ea2cdd4f9009eebe5a0 [0,2,0,0,0,0|0,0,2]=4 6960 B13R0.54 N#CCCCCNCCOCC(=O)O c5f38e72e83c6a5223cd4d02646ff637 [0,2,0,0,0,0|1,0,1]=4 6961 B13R0.54 N#CCCCCNCCSCC(=O)O 59a1193489c3369837949dfec91f1bfd [0,2,0,0,0,0|1,0,1]=4 6962 B13R0.54 N#CCCCCOCCCCC(=O)O efeb58f17607d26b90d6bc7382026657 [0,2,0,0,0,0|0,0,2]=4 6963 B13R0.54 N#CCCCCOCCOCC(=O)O 3d7d5a09f93e9747f784ffcf5f78d4b3 [0,2,0,0,0,0|1,0,1]=4 6964 B13R0.54 N#CCCCNCCCCCC(=O)O b61d55d2a6b21b1e62732fce1c739258 [0,2,0,0,0,0|0,0,2]=4 6965 B13R0.54 N#CCCCNCCCOCC(=O)O 17dc8b08f5e8dc1217821f8120708d01 [0,2,0,0,0,0|1,0,1]=4 6966 B13R0.54 N#CCCCNCCOCCC(=O)O 91c5a2a67c07fc4948afc5cbb618c254 [0,2,0,0,0,0|1,0,1]=4 6967 B13R0.54 N#CCCCOCCCCCC(=O)O 66e02eb94ec1358a7cc1f419622f1b68 [0,2,0,0,0,0|0,0,2]=4 6968 B13R0.54 N#CCCCOCCCOCC(=O)O 93ce0141e336ed645b057bac45a9650c [0,2,0,0,0,0|1,0,1]=4 6969 B13R0.54 N#CCCCOCCOCCC(=O)O 8a89c160cd6796b49ac7ad945286ea5d [0,2,0,0,0,0|1,0,1]=4 6970 B13R0.54 N#CCCNCCCCCCC(=O)O 1d9b6674c2f4b2be0e2077acbe09e052 [0,2,0,0,0,0|0,0,2]=4 6971 B13R0.54 N#CCCOCCCCCCC(=O)O 379867bfacad86225750a7914f9e3f51 [0,2,0,0,0,0|0,0,2]=4 6972 B13R0.54 N#CCCOCCCOCCC(=O)O 8671b0c9b881f87de29c01ad13ada657 [0,2,0,0,0,0|1,0,1]=4 6973 B13R0.54 N#CCCOCCOCCCC(=O)O 1681402f3224bc9d2a7e48b6cf4f2434 [0,2,0,0,0,0|1,0,1]=4 6974 B13R0.54 N#CCNCCCCCCCC(=O)O 1773a81f5b80c2adf41ad9262f505136 [0,2,0,0,0,0|0,0,2]=4 6975 B13R0.54 N#CCNCCOCCCCC(=O)O a14ffeb7a8168f1a5a9a6f6f69429bac [0,2,0,0,0,0|1,0,1]=4 6976 B13R0.54 N#CCOCCCCCCCC(=O)O 9d9b706638c4d7bf9891b8e46f807d75 [0,2,0,0,0,0|0,0,2]=4 6977 B13R0.54 N#CCOCCCOCCCC(=O)O 50588d7c5bfa6c3795635219123526f9 [0,2,0,0,0,0|1,0,1]=4 6978 B13R0.54 N#CCOCCNCCCCC(=O)O 28867c0c35aa0dd0478fd957483baa73 [0,2,0,0,0,0|1,0,1]=4 6979 B13R0.54 N#CCOCCOCCCCC(=O)O 8f786a8120687c664b2a79622fd7d3dc [0,2,0,0,0,0|1,0,1]=4 6980 B13R0.54 N#CSCOCCCCCCC(=O)O ea5e1268fa99b156a906e32097da6318 [0,2,0,0,0,0|1,0,1]=4 6981 B13R0.54 NC(=O)CCCCCCOC/C=C/Cl 556d4c5af89eac40bb97ddecda9f4169 [0,2,0,0,0,0|1,0,0]=3 6982 B13R0.54 NC(=O)CCCCCCOC/C=C\Cl 9b416497d512547be24d80c835aacc33 [0,2,0,0,0,0|1,0,0]=3 6983 B13R0.54 NC(=O)CCCCCCOCCC=O 096582ea864601ab15a49c5c67d7b6db [0,2,0,0,0,0|1,0,1]=4 6984 B13R0.54 NC(=O)CCCCCNCCCC=O f6375919411a1018f272c651e02f807e [0,2,0,0,0,0|1,0,1]=4 6985 B13R0.54 NC(=O)CCCCCOC/C=C/C=O ec754cdc0e558d3deb20204e25185f3c [0,2,0,0,0,0|1,0,1]=4 6986 B13R0.54 NC(=O)CCCCCOCCCC=O 4e0576ebb365cfb15f6e57cd2b2cd11f [0,2,0,0,0,0|1,0,1]=4 6987 B13R0.54 NC(=O)CCCCCOCCNC=O 7be7f07e770662819bcc8955297fd049 [0,2,0,0,0,0|2,0,0]=4 6988 B13R0.54 NC(=O)CCCCCOCCOC=O 91e68a4faa1aaf649000469f999da033 [0,2,0,0,0,0|2,0,0]=4 6989 B13R0.54 NC(=O)CCCCNCCCCC=O ba6b7bb1ce6cb965ebfb07e4e0091c40 [0,2,0,0,0,0|1,0,1]=4 6990 B13R0.54 NC(=O)CCCCNCCOCC=O 09f940339f2895e03610be0d542dcf16 [0,2,0,0,0,0|2,0,0]=4 6991 B13R0.54 NC(=O)CCCCOCCCCC=O 1d184fc21fc043161e3eea2744fc3846 [0,2,0,0,0,0|1,0,1]=4 6992 B13R0.54 NC(=O)CCCCOCCOCC=O 594c14513bdc4beae517178b388abd2b [0,2,0,0,0,0|2,0,0]=4 6993 B13R0.54 NC(=O)CCCNCCCCCC=O d9d260392a6c5395649c2d811aa4d27e [0,2,0,0,0,0|1,0,1]=4 6994 B13R0.54 NC(=O)CCCOCCCCCC=O ce14d0c06e28c9726da2b479b91d5995 [0,2,0,0,0,0|1,0,1]=4 6995 B13R0.54 NC(=O)CCNCCCCCCC=O 9b3ba614e3bca35cc5c8422228d95944 [0,2,0,0,0,0|1,0,1]=4 6996 B13R0.54 NC(=O)CCOCCCCCCC=O 078efdfdb72bc9e48d8f5ab42c015ccc [0,2,0,0,0,0|1,0,1]=4 6997 B13R0.54 NC(=O)CCSCCCNC/C=C/Cl a28df9a68c8acd27553f61f379976150 [0,2,0,0,0,0|2,0,0]=4 6998 B13R0.54 NC(=O)CCSCCCNC/C=C\Cl 0eb9678ae706e078c0ec7c9074156e4a [0,2,0,0,0,0|2,0,0]=4 6999 B13R0.54 NC(=O)CCSCCCNC/C=C\O 17e344fb84cbfc43054bb52706477c87 [0,2,0,0,0,0|2,0,0]=4 7000 B13R0.54 NC(=O)CCSCCCNCCC=O 0c187bf75430e653965e0d1b2413318f [0,2,0,0,0,0|2,0,0]=4 7001 B13R0.54 NC(=O)COCCOCCCCC=O c16a363a7c21f237e2ad87387f302ea4 [0,2,0,0,0,0|2,0,0]=4 7002 B13R0.54 NC(=O)CSCCOCCCCC=O b5fe86f55fbc8a53c61fd3807d1f6853 [0,2,0,0,0,0|2,0,0]=4 7003 B13R0.54 NC(=O)NCCOCCCCCC=O dab71003675dfacd5b40027eb24b35a5 [0,2,0,0,0,0|2,0,0]=4 7004 B13R0.54 NC(=O)NCOCCCCCCC=O 1da6eb66c3eb6707c7ebede1376190d4 [0,2,0,0,0,0|2,0,0]=4 7005 B13R0.54 NOCCCCNCCCCC(=O)O 6ab1a8d86e454c5f933663767f126386 [0,2,0,0,0,0|1,0,1]=4 7006 B13R0.54 NOCCCCNCCOCC(=O)O 2a7f4268f0553ad1236722d619eb6a21 [0,2,0,0,0,0|2,0,0]=4 7007 B13R0.54 NOCCCCNCCSCC(=O)O b7843635fd616071a9decf8b7490c0e2 [0,2,0,0,0,0|2,0,0]=4 7008 B13R0.54 NOCCOCCNCCCC(=O)O 8183834d21469600308f46efaeeafed5 [0,2,0,0,0,0|2,0,0]=4 7009 B13R0.54 O=C(O)CCCCCCCCNCF 30ea2922f10d1e003a2f51065e126242 [0,2,0,0,0,0|0,0,2]=4 7010 B13R0.54 O=C(O)CCCCCCCCNCO 9b3c91b142b29a7f723d23a14331bc9a [0,2,0,0,0,0|0,0,2]=4 7011 B13R0.54 O=C(O)CCCCCCCCOCF 411ff4a18f4a9c160bb7e1c49f9d86b3 [0,2,0,0,0,0|0,0,2]=4 7012 B13R0.54 O=C(O)CCCCCCCNCCF 590275ed0f880f1d9e3277711f1c58a1 [0,2,0,0,0,0|0,0,2]=4 7013 B13R0.54 O=C(O)CCCCCCCNCCI 35d6687d3cb4e2f6f4f4921e66271cba [0,2,0,0,0,0|0,0,2]=4 7014 B13R0.54 O=C(O)CCCCCCCNCCO 0170dd02fd19123d7212cedecb06c9ff [0,2,0,0,0,0|0,0,2]=4 7015 B13R0.54 O=C(O)CCCCCCCNCCS 069e7a795fcf3a3dd4fd8fd20bc95962 [0,2,0,0,0,0|0,0,2]=4 7016 B13R0.54 O=C(O)CCCCCCCOCCF 1cfc970bb3c5b4bc2821ab7db260dd6d [0,2,0,0,0,0|0,0,2]=4 7017 B13R0.54 O=C(O)CCCCCCCOCCS 12afa6a85e27c181bf775bd772af8d43 [0,2,0,0,0,0|0,0,2]=4 7018 B13R0.54 O=C(O)CCCCCCNC/C=C/Cl a78d52f53999615ca3700c01d04f5384 [0,2,0,0,0,0|0,0,0]=2 7019 B13R0.54 O=C(O)CCCCCCNC/C=C\Cl 4738f3a73ceaa18429f51f4e937e97e5 [0,2,0,0,0,0|0,0,0]=2 7020 B13R0.54 O=C(O)CCCCCCNC/C=C\O add7ca0aece61c76e429be87865d7f28 [0,2,0,0,0,0|0,0,0]=2 7021 B13R0.54 O=C(O)CCCCCCNCCCCl 5b66274712314b89a0ff1b3e8135f761 [0,2,0,0,0,0|0,0,2]=4 7022 B13R0.54 O=C(O)CCCCCCNCCCF 48bc55519ae39b271d991bb26a9b4b42 [0,2,0,0,0,0|0,0,2]=4 7023 B13R0.54 O=C(O)CCCCCCNCCCO 2db76f24bd0a72d16611fabf6f184e26 [0,2,0,0,0,0|0,0,2]=4 7024 B13R0.54 O=C(O)CCCCCCNCCCS f587e1425a329fee7b5519adbddd1e4e [0,2,0,0,0,0|0,0,2]=4 7025 B13R0.54 O=C(O)CCCCCCOC/C=C/Cl cef347a602932e92a35ffac653844793 [0,2,0,0,0,0|0,0,0]=2 7026 B13R0.54 O=C(O)CCCCCCOC/C=C\Cl 9582fc179986e549f0fec58c4b955990 [0,2,0,0,0,0|0,0,0]=2 7027 B13R0.54 O=C(O)CCCCCCOCC=CCl beec1bd48c9127fce1f3af344856eeb7 [0,2,0,0,0,0|0,0,0]=2 7028 B13R0.54 O=C(O)CCCCCCOCCCF 3046a30d506471d58849b4b845016f7e [0,2,0,0,0,0|0,0,2]=4 7029 B13R0.54 O=C(O)CCCCCCOCCCS 1688a640b77deff1bfdf19089f8daa0e [0,2,0,0,0,0|0,0,2]=4 7030 B13R0.54 O=C(O)CCCCCNCCCCF 120baa3c47702d9c31278125cac1ad6b [0,2,0,0,0,0|0,0,2]=4 7031 B13R0.54 O=C(O)CCCCCNCCCCO f7b57506148fd32ee92b116d88db79ca [0,2,0,0,0,0|0,0,2]=4 7032 B13R0.54 O=C(O)CCCCCOCCCCF 0a5e10bb7061cdc06ec68641f11f2c2d [0,2,0,0,0,0|0,0,2]=4 7033 B13R0.54 O=C(O)CCCCNCCCCCCl 82d0675d81c4bbf363a94d5cf6ecbbe5 [0,2,0,0,0,0|0,0,2]=4 7034 B13R0.54 O=C(O)CCCCNCCCCCF 4c6e4ba9e721ee2a33538b43750f6b3b [0,2,0,0,0,0|0,0,2]=4 7035 B13R0.54 O=C(O)CCCCNCCCCCO 46df79fde7e5ce1cf6653b411843efe4 [0,2,0,0,0,0|0,0,2]=4 7036 B13R0.54 O=C(O)CCCCNCCOCCO 79e4961518efa8e36682ccd8cb532c1a [0,2,0,0,0,0|1,0,1]=4 7037 B13R0.54 O=C(O)CCCCNCCOCCS 3e6494e130b3b5672bef3e3f7507b2f7 [0,2,0,0,0,0|1,0,1]=4 7038 B13R0.54 O=C(O)CCCCNCCSCCO f2da388d126e95a3a9cf4be2cd8a50aa [0,2,0,0,0,0|1,0,1]=4 7039 B13R0.54 O=C(O)CCCCOCCCCCF 3ddde0289a6902089d07e085e74aea7f [0,2,0,0,0,0|0,0,2]=4 7040 B13R0.54 O=C(O)CCCCOCCNCCF 00c46168201b7949112a4b5371879cd9 [0,2,0,0,0,0|1,0,1]=4 7041 B13R0.54 O=C(O)CCCCOCCNCCO ac5c1fe71e88496929c6fac913ac8acb [0,2,0,0,0,0|1,0,1]=4 7042 B13R0.54 O=C(O)CCCCOCCNCCS 302a85f0bd5569bc0d6da7849fe29730 [0,2,0,0,0,0|1,0,1]=4 7043 B13R0.54 O=C(O)CCCCOCCOCCF eb3f9fee56816f223a09203bff6078a9 [0,2,0,0,0,0|1,0,1]=4 7044 B13R0.54 O=C(O)CCCCOCCOCCS f2e98b0e111a81ca12900c3484de6523 [0,2,0,0,0,0|1,0,1]=4 7045 B13R0.54 O=C(O)CCCNCCCCCCF 360cb28dc8819d46430bf5b8ed8f8da3 [0,2,0,0,0,0|0,0,2]=4 7046 B13R0.54 O=C(O)CCCNCCCCCCO 3d665abe26fdc6e2fbc2ae2d30894cbc [0,2,0,0,0,0|0,0,2]=4 7047 B13R0.54 O=C(O)CCCNCCCOCCO 340cfb6096ebb733d973c8e26e8266a2 [0,2,0,0,0,0|1,0,1]=4 7048 B13R0.54 O=C(O)CCCNCCOCCCO 9802bc68c8d2b94865a42acda8d51bab [0,2,0,0,0,0|1,0,1]=4 7049 B13R0.54 O=C(O)CCCOCCCCCCF 50daffb7a68b82f7b723588b58da1a57 [0,2,0,0,0,0|0,0,2]=4 7050 B13R0.54 O=C(O)CCNCCCCCCCO 1638a8399abe83e55d2e266e2b2fdec6 [0,2,0,0,0,0|0,0,2]=4 7051 B13R0.54 O=C(O)CCNCCCCSCCO 444c45f945433ca05ce06d42fa47b923 [0,2,0,0,0,0|1,0,1]=4 7052 B13R0.54 O=C(O)CCNCCCOCCCO d4c7a1ef865f0dbaf97dc1101180f4aa [0,2,0,0,0,0|1,0,1]=4 7053 B13R0.54 O=C(O)CCOCCNCCCCCl 7b6c6940e009dd1882b14a179cb264bb [0,2,0,0,0,0|1,0,1]=4 7054 B13R0.54 O=C(O)CCOCCNCCCCF 1a58da881454426701bff3c794630f64 [0,2,0,0,0,0|1,0,1]=4 7055 B13R0.54 O=C(O)CCOCCNCCCCO f8d230800bdb85e1c3b2ae8a75f1e029 [0,2,0,0,0,0|1,0,1]=4 7056 B13R0.54 O=C(O)CCOCCNCCCCS f75068dab6c845c94a6e646374b4577b [0,2,0,0,0,0|1,0,1]=4 7057 B13R0.54 O=C(O)CCOCCOCCCCF 31260d07d7922706ef11956f78a036b1 [0,2,0,0,0,0|1,0,1]=4 7058 B13R0.54 O=C(O)CCOCCOCCCCS c533f77a0f81c559e97663caa4477bb4 [0,2,0,0,0,0|1,0,1]=4 7059 B13R0.54 O=C(O)CCSSCCNC/C=C/Cl 96e4ba4af661cf57457d4bf07c840fc7 [0,2,0,0,0,0|2,0,0]=4 7060 B13R0.54 O=C(O)CCSSCCNC/C=C\Cl 04217f98c1a0e683d4e55a29005b5319 [0,2,0,0,0,0|2,0,0]=4 7061 B13R0.54 O=C(O)CCSSCCNC/C=C\O b3f215a269bf0e50c421ab8468e44a11 [0,2,0,0,0,0|2,0,0]=4 7062 B13R0.54 O=C(O)CCSSCCOC/C=C/Cl 7d1cd7a5180def8b6563a58e38f9d9c9 [0,2,0,0,0,0|2,0,0]=4 7063 B13R0.54 O=C(O)CCSSCCOC/C=C\Cl 01b3b7b70b037162450942bb762c2b3c [0,2,0,0,0,0|2,0,0]=4 7064 B13R0.54 O=C(O)CNCCCCCCCCO 0e36bac6fd0609ac64e2e3db3eabb114 [0,2,0,0,0,0|0,0,2]=4 7065 B13R0.54 O=C(O)COCCCCCCC#CI 92c2dffce28c02199d0734588e4bd746 [0,2,0,0,0,0|0,0,2]=4 7066 B13R0.54 O=C(O)COCCCNCCCCCl 0d640424896ef6e6fe186fe1925db13e [0,2,0,0,0,0|1,0,1]=4 7067 B13R0.54 O=C(O)COCCCNCCCCO 0fc46765419b5e12e8b251fefcdb4568 [0,2,0,0,0,0|1,0,1]=4 7068 B13R0.54 O=C(O)COCCCNCCCCS a257ebb3659a9687696fb6a16285884a [0,2,0,0,0,0|1,0,1]=4 7069 B13R0.54 O=C(O)COCCCOCCCCF cbfb137f893874ad0e8415e92f87a2ff [0,2,0,0,0,0|1,0,1]=4 7070 B13R0.54 O=C(O)COCCCOCCCCS f1f2f4d960ce951cb3480d959fd811e7 [0,2,0,0,0,0|1,0,1]=4 7071 B13R0.54 O=C(O)COCCNCCCCCCl 83970b82947e86a4ae3f2fd60865271b [0,2,0,0,0,0|1,0,1]=4 7072 B13R0.54 O=C(O)COCCNCCCCCF 791c1fea84e72f0598777df6f7898d25 [0,2,0,0,0,0|1,0,1]=4 7073 B13R0.54 O=C(O)COCCNCCCCCO 32d8a68291ba03c5e6d23820d40d70a3 [0,2,0,0,0,0|1,0,1]=4 7074 B13R0.54 O=C(O)COCCOCCCCCF 700851f68a29b62718e8ab4d4308b264 [0,2,0,0,0,0|1,0,1]=4 7075 B13R0.54 O=C(O)CSCCNCCCCCO c8ff12a978a386c068ce01fd34da87d0 [0,2,0,0,0,0|1,0,1]=4 7076 B13R0.54 O=C/C=C/COCCCCCC(=O)O 6aca40fd2ea68466b88bb6b7c6ec5ca1 [0,2,0,0,0,0|0,0,1]=3 7077 B13R0.54 O=C/C=C/COCCCOCC(=O)O bf564517a19e8e8d06f45b5a32e66b18 [0,2,0,0,0,0|1,0,1]=4 7078 B13R0.54 O=C/C=C/COCCOCCC(=O)O f6a5c5e2b8f385f4d26f9e1aae71c0dd [0,2,0,0,0,0|1,0,1]=4 7079 B13R0.54 O=CCCCCCCNCCC(=O)O f32da7555205eb8c846e36faf0fd41cc [0,2,0,0,0,0|0,0,1]=3 7080 B13R0.54 O=CCCCCCCNCCS(=O)O 1059167b14f1e97f0672aa1b5ac20033 [0,2,0,0,0,0|1,0,1]=4 7081 B13R0.54 O=CCCCCCCOCCC(=O)O 5accf020fda1d268c5deb8c73d2d7028 [0,2,0,0,0,0|0,0,1]=3 7082 B13R0.54 O=CCCCCCNC/C=C/C(=O)O 0fd7b00c5d3e8a39d70577a49127be02 [0,2,0,0,0,0|1,0,1]=4 7083 B13R0.54 O=CCCCCCNCC#CC(=O)O 02be880e33b164326127c225d7b02729 [0,2,0,0,0,0|1,0,1]=4 7084 B13R0.54 O=CCCCCCNCC=CC(=O)O e91a1aa2acda05dc45d8f4a582e727f3 [0,2,0,0,0,0|1,0,1]=4 7085 B13R0.54 O=CCCCCCNCCCC(=O)O 237d012866e5bbf587b5abf28c22dcef [0,2,0,0,0,0|0,0,1]=3 7086 B13R0.54 O=CCCCCCOC/C=C/C(=O)O ea1e1f2f03a8f898c92acaefa6ce5cb6 [0,2,0,0,0,0|1,0,1]=4 7087 B13R0.54 O=CCCCCCOCC#CC(=O)O 450dba9e16292e95d28a3e516c730d58 [0,2,0,0,0,0|1,0,1]=4 7088 B13R0.54 O=CCCCCCOCC=CC(=O)O 5ac6075133526f0b0fb22b1ca567913c [0,2,0,0,0,0|1,0,1]=4 7089 B13R0.54 O=CCCCCNCCCCC(=O)O f42c5bd6efd0e4e79c175b3b79f679b0 [0,2,0,0,0,0|0,0,1]=3 7090 B13R0.54 O=CCCCCNCCOCC(=O)O 283d2dd8b8efc99c4bd70c6d645b636b [0,2,0,0,0,0|1,0,0]=3 7091 B13R0.54 O=CCCCCNCCSCC(=O)O 74bf620650585648954c79771d7cc326 [0,2,0,0,0,0|1,0,0]=3 7092 B13R0.54 O=CCCCCOCCC#CC(=O)O 23bb55216cb96459008455fbd86efe40 [0,2,0,0,0,0|1,0,1]=4 7093 B13R0.54 O=CCCCCOCCCCC(=O)O 95d25283adf3ff9c4d03e4e7abf3a79c [0,2,0,0,0,0|0,0,1]=3 7094 B13R0.54 O=CCCCCOCCOCC(=O)O f792810d3025d20c7b484a9939c19215 [0,2,0,0,0,0|1,0,0]=3 7095 B13R0.54 O=CCCCNCCCCCC(=O)O d334e4e56f4f0c3a93fd8a1a7f70f13c [0,2,0,0,0,0|0,0,1]=3 7096 B13R0.54 O=CCCCNCCOCCC(=O)O b29577163c9a0ae112b282a36fdd7f2e [0,2,0,0,0,0|1,0,0]=3 7097 B13R0.54 O=CCCCOCCCCCC(=O)O 5d2db9ad8fb0d1188e719d8b948fa542 [0,2,0,0,0,0|0,0,1]=3 7098 B13R0.54 O=CCCCOCCCOCC(=O)O fbf2c16d54ad2677a50c233bb6d00932 [0,2,0,0,0,0|1,0,0]=3 7099 B13R0.54 O=CCCCOCCOCCC(=O)O bca1c9e002a5329c803018a41b703772 [0,2,0,0,0,0|1,0,0]=3 7100 B13R0.54 O=CCCNCCCCCCC(=O)O b70b87d89558c177fa9b895933daf96d [0,2,0,0,0,0|0,0,1]=3 7101 B13R0.54 O=CCCNCCSSCCC(=O)O 79582e71532d8d3d9a152513a245fb47 [0,2,0,0,0,0|2,0,0]=4 7102 B13R0.54 O=CCCOCCCCCCC(=O)O 04058f5797fb54d23ecb743af0321608 [0,2,0,0,0,0|0,0,1]=3 7103 B13R0.54 O=CCCOCCSSCCC(=O)O 0304385a6211129f1cf04fe9c2d37f40 [0,2,0,0,0,0|2,0,0]=4 7104 B13R0.54 O=CCNCCCCCCCC(=O)O 032046310fdce4b82e6cdf47d636447e [0,2,0,0,0,0|0,0,1]=3 7105 B13R0.54 O=CCNCCOCCCCC(=O)O 57493cdceddac841c0a7f9e9aa16b36d [0,2,0,0,0,0|1,0,0]=3 7106 B13R0.54 O=CCNCCOCCOCC(=O)O 8347dd7eee0b943902c6e3e04d79cde0 [0,2,0,0,0,0|2,0,0]=4 7107 B13R0.54 O=CCOCCCCCCCC(=O)O 444a10a657ab8eb1011b2dd8d0be54a9 [0,2,0,0,0,0|0,0,1]=3 7108 B13R0.54 O=CCOCCNCCCCC(=O)O 570e3ab8f251bd78678bef00640592c9 [0,2,0,0,0,0|1,0,0]=3 7109 B13R0.54 O=CCOCCNCCOCC(=O)O 4c0db8c67a4914336e399276d2f4b507 [0,2,0,0,0,0|2,0,0]=4 7110 B13R0.54 O=CCOCCNCCSCC(=O)O cc3d15f45ae68365bfe164b85ae2912e [0,2,0,0,0,0|2,0,0]=4 7111 B13R0.54 O=CCOCCOCCCCC(=O)O 0b47eea3ef65b4ca42573e9cfa26a28c [0,2,0,0,0,0|1,0,0]=3 7112 B13R0.54 O=CCOCCOCCNCC(=O)O b1924c5b9a299bc9729a037771d54604 [0,2,0,0,0,0|2,0,0]=4 7113 B13R0.54 O=CCOCCOCCOCC(=O)O ddacbb8ed4aace78c6786255b3afcb18 [0,2,0,0,0,0|2,0,0]=4 7114 B13R0.54 O=CNCCOCCCCCC(=O)O 97b2b398391a3c16bd8a0f477ce4cef3 [0,2,0,0,0,0|1,0,0]=3 7115 B13R0.54 O=CNCCOCCCOCC(=O)O d3d0cceaadba97042ef78fb9931b6c1d [0,2,0,0,0,0|2,0,0]=4 7116 B13R0.54 O=CNCCOCCOCCC(=O)O 0aabcd4c684cfd4f5bb8977cd4aa31ac [0,2,0,0,0,0|2,0,0]=4 7117 B13R0.54 O=COCCOCCCCCC(=O)O 09047364023cc61b9414c466e8f3f384 [0,2,0,0,0,0|1,0,0]=3 7118 B13R0.54 O=COCCOCCCOCC(=O)O 906a8088bd69db4f512d739495ed6ded [0,2,0,0,0,0|2,0,0]=4 7119 B13R0.54 O=COCCOCCOCCC(=O)O f97c0c04490f6e879671a6c04fc41e15 [0,2,0,0,0,0|2,0,0]=4 7120 B13R0.119 C/C=C/CN(C)CCOCCC(=O)O e12e73b46a4f018cc23e528f4c279795 [0,2,0,0,0,0|2,0,0]=4 7121 B13R0.119 C/C=C\CN(C)CCOCCC(=O)O 52d4540f7d0e89382a8e8ac3feca867e [0,2,0,0,0,0|2,0,0]=4 7122 B13R0.119 C=CCCC(=O)NCCCCC(=O)N 38f609e1b723304b2e96ce8f94ceebf4 [0,2,0,0,0,0|1,0,1]=4 7123 B13R0.119 C=CCCC(C)NCCCCC(=O)N dc32569adaec7d588660f4424aab7ef7 [0,2,0,0,0,0|1,0,0]=3 7124 B13R0.119 C=CCCC(C)NCCCCC(=O)O fbf1d2f3a92e900ba0d71b437a279efb [0,2,0,0,0,0|0,0,0]=2 7125 B13R0.119 C=CCCC(C)NCCCNC(=O)C 03b8751c8467aacf178bf762bedb5619 [0,2,0,0,0,0|2,0,0]=4 7126 B13R0.119 C=CCCC(C)NCCOCC(=O)O 4e2685f32acbcde3a00a11c6ec2bb8ed [0,2,0,0,0,0|1,0,0]=3 7127 B13R0.119 C=CCCC(C)NCCSCC(=O)O 7cb02e18e8032bad2f822d90f0c87245 [0,2,0,0,0,0|1,0,0]=3 7128 B13R0.119 C=CCCC(C)OCCC#CC(=O)O 1cfe1a3ad25a0af3ae560b262274ced5 [0,2,0,0,0,0|0,0,2]=4 7129 B13R0.119 C=CCCC(C)OCCCCC(=O)C 675959655ecb5dea6068e3970c8efabf [0,2,0,0,0,0|1,0,0]=3 7130 B13R0.119 C=CCCC(C)OCCCCC(=O)N 6741c2cf994b889796fd94c19e4aa161 [0,2,0,0,0,0|1,0,0]=3 7131 B13R0.119 C=CCCC(C)OCCCCC(=O)O 53ab3b19270d508e689c70c0170afa00 [0,2,0,0,0,0|0,0,0]=2 7132 B13R0.119 C=CCCC(C)OCCCC[N+](=O)[O-] 04b411864b286e5e8249b6c663930342 [0,2,0,0,0,0|1,0,1]=4 7133 B13R0.119 C=CCCC(C)OCCCNC(=O)C 177593c8211d8617d2c4ee1afcf4d3cb [0,2,0,0,0,0|2,0,0]=4 7134 B13R0.119 C=CCCC(C)OCCCOC(=O)C 17ff8a8bb962dcb0c921bc7428c9c503 [0,2,0,0,0,0|2,0,0]=4 7135 B13R0.119 C=CCCC(C)OCCCSC(=O)C 498aa36e239472eb427c5ee7ff919bf3 [0,2,0,0,0,0|2,0,0]=4 7136 B13R0.119 C=CCCC(C)OCCOCC(=O)N 82096d83bf01bb6f43af975e2b456380 [0,2,0,0,0,0|2,0,0]=4 7137 B13R0.119 C=CCCC(C)OCCOCC(=O)O 54a114dae22b050202976d4db0e47e56 [0,2,0,0,0,0|1,0,0]=3 7138 B13R0.119 C=CCCC(C)OCCSCC(=O)N eb7fce20e948fff29c7e5de477e17f16 [0,2,0,0,0,0|2,0,0]=4 7139 B13R0.119 C=CCCC(O)CNC/C=C/C(=O)O bfcbfc7ae2d4dc72d3e705e81b11aecc [0,2,0,0,0,0|0,0,2]=4 7140 B13R0.119 C=CCCC(O)CNCC=CC(=O)O 970842b0022a7a14f33ab4c98ebdcf71 [0,2,0,0,0,0|0,0,2]=4 7141 B13R0.119 C=CCCC(O)CNCCCC(=C)C 40dee8492c816b0f5814cd83efb83c55 [0,2,0,0,0,0|2,0,0]=4 7142 B13R0.119 C=CCCC(O)CNCCCC(=O)C 877976dedf66e11951ea15248c9b20c4 [0,2,0,0,0,0|1,0,0]=3 7143 B13R0.119 C=CCCC(O)CNCCCC(=O)N a5e243a2a3b79583c156a1ff20ae4a8b [0,2,0,0,0,0|1,0,0]=3 7144 B13R0.119 C=CCCC(O)CNCCCC(=O)O 4b4ff82590fe9755e94cee23a17b9080 [0,2,0,0,0,0|0,0,0]=2 7145 B13R0.119 C=CCCC(O)CNCCCC(C)O cb9cb4b31424ab64f85c274ec41aba45 [0,2,0,0,0,0|1,0,1]=4 7146 B13R0.119 C=CCCC(O)CNCCC[N+](=O)[O-] d789feb8c3a274c7a1fcc58c5013b292 [0,2,0,0,0,0|1,0,1]=4 7147 B13R0.119 C=CCCC(O)CNCCNC(=O)C bc4012f82d261e5c2a8024c2f752f5cf [0,2,0,0,0,0|2,0,0]=4 7148 B13R0.119 C=CCCC(O)CNCCNC(=O)N c06ea842dc02efcfe2791334d12c1dc6 [0,2,0,0,0,0|2,0,0]=4 7149 B13R0.119 C=CCCC(O)CNCCOC(=O)C 730da64823b5714a459d8f65edbb1499 [0,2,0,0,0,0|2,0,0]=4 7150 B13R0.119 C=CCCC(O)CNCCSC(=O)C e59225695abf091afbe8363b45da9a49 [0,2,0,0,0,0|2,0,0]=4 7151 B13R0.119 C=CCCN(C)CCCCCC(=O)C d4ce834a005109dd3cf8a81fa5466547 [0,2,0,0,0,0|1,0,0]=3 7152 B13R0.119 C=CCCN(C)CCCCCC(=O)N 7d717c7386739b3fca94688097bf2a02 [0,2,0,0,0,0|1,0,0]=3 7153 B13R0.119 C=CCCN(C)CCCCCC(=O)O e81b65acfced560d651c65a562d917a7 [0,2,0,0,0,0|0,0,0]=2 7154 B13R0.119 C=CCCN(C)CCCCOC(=O)C 65348e6adefe6a456c18d036112b284b [0,2,0,0,0,0|2,0,0]=4 7155 B13R0.119 C=CCCN(C)CCCCSC(=O)C a4e1e76994e95781cfb9f6e96dfb869b [0,2,0,0,0,0|2,0,0]=4 7156 B13R0.119 C=CCCN(C)CCCOCC(=O)O 608b61d74916af4cbece19cf5e973e32 [0,2,0,0,0,0|1,0,0]=3 7157 B13R0.119 C=CCCN(C)CCOCCC(=O)O ccc2f78735007910064c658cb8e38d8f [0,2,0,0,0,0|1,0,0]=3 7158 B13R0.119 C=CCC[C@@H](C)OCCCCC(=O)C c45aa0a65f690d2320a842ac9d9d7ff7 [0,2,0,0,0,0|1,0,0]=3 7159 B13R0.119 C=CCC[C@@H](C)OCCCCC(=O)N 1cd49096147fa06fbcdf8a95d0db0289 [0,2,0,0,0,0|1,0,0]=3 7160 B13R0.119 C=CCC[C@@H](C)OCCCCC(=O)O 203e3c66d7bb2a943883ff219a4bdc0f [0,2,0,0,0,0|0,0,0]=2 7161 B13R0.119 C=CCC[C@@H](C)OCCCNC(=O)C 0687205386d9388ce9a34efa5053b3fd [0,2,0,0,0,0|2,0,0]=4 7162 B13R0.119 C=CCC[C@@H](C)OCCCOC(=O)C 57cc887a7605daf7c4e0c509f30433dd [0,2,0,0,0,0|2,0,0]=4 7163 B13R0.119 C=CCC[C@@H](C)OCCCSC(=O)C 2aa13f487f328918e00fb2fcf23fff1f [0,2,0,0,0,0|2,0,0]=4 7164 B13R0.119 C=CCC[C@@H](C)OCCOCC(=O)N c586d41fa616ff794a872f548a34491e [0,2,0,0,0,0|2,0,0]=4 7165 B13R0.119 C=CCC[C@@H](C)OCCOCC(=O)O dfa1b4e5e408642f360d9f446544ef54 [0,2,0,0,0,0|1,0,0]=3 7166 B13R0.119 C=CCC[C@@H](O)CNC/C=C/C(=O)O 6fe39494e65c44cb972c37642681714d [0,2,0,0,0,0|0,0,2]=4 7167 B13R0.119 C=CCC[C@@H](O)CNCC#CC(=O)O 716833023242f4fc3c41e54b8836b282 [0,2,0,0,0,0|0,0,2]=4 7168 B13R0.119 C=CCC[C@@H](O)CNCC=CC(=O)O dbbbbfc7d04c30597d2d02430615c535 [0,2,0,0,0,0|0,0,2]=4 7169 B13R0.119 C=CCC[C@@H](O)CNCCCC(=O)N 98464ab63021fe8a83941e4330aba361 [0,2,0,0,0,0|1,0,0]=3 7170 B13R0.119 C=CCC[C@@H](O)CNCCCC(=O)O f08fefeb315e30ab880ffcfa75eac99a [0,2,0,0,0,0|0,0,0]=2 7171 B13R0.119 C=CCC[C@@H](O)CNCCCS(=O)C fb05e65da64198f1c5484d3d4d176d57 [0,2,0,0,0,0|2,0,0]=4 7172 B13R0.119 C=CCC[C@@H](O)CNCCNC(=O)C d00ded6116522fcc7c6a6a0612f4eaea [0,2,0,0,0,0|2,0,0]=4 7173 B13R0.119 C=CCNC(=O)CCNCCC(=O)O cdf620b314503d0d3b85eee6f27853e3 [0,2,0,0,0,0|1,0,1]=4 7174 B13R0.119 C=CCNC(=O)CCOCCC(=O)O 89fbc6c397d3af6a5bb7d2a3229ba2d5 [0,2,0,0,0,0|1,0,1]=4 7175 B13R0.119 C=CCNC(=O)CNCCCC(=O)O d3e47564cfc9b3e7d807208bbefea017 [0,2,0,0,0,0|1,0,1]=4 7176 B13R0.119 C=CCNC(=O)COCCCC(=O)O 79a52921ad0936ecc45ef4c0802b69aa [0,2,0,0,0,0|1,0,1]=4 7177 B13R0.119 C=CCOC(=O)CCCNCC(=O)O 2e889e4a9a374e8da74ed7ee18460a1c [0,2,0,0,0,0|1,0,1]=4 7178 B13R0.119 C=CCOC(=O)CCCOCC(=O)O 9aac5006d27d2ae321f442e5cd8653a1 [0,2,0,0,0,0|1,0,1]=4 7179 B13R0.119 C=CCOC(=O)CNCCCC(=O)O a4a72c9749164bfb026a65dc0bc2e905 [0,2,0,0,0,0|1,0,1]=4 7180 B13R0.119 C=CCOC(C)CCCCCC(=O)O 1db03d35e96b38b38c5feeadc4ec24e2 [0,2,0,0,0,0|0,0,0]=2 7181 B13R0.119 CC(CCC#N)NCCCCC(=O)O ef59fb9dcda6b10cc3218132927c74b6 [0,2,0,0,0,0|1,0,1]=4 7182 B13R0.119 CC(CCC#N)OCCCCC(=O)O b982f1c133dfeb32eb753e5f058cfdf5 [0,2,0,0,0,0|1,0,1]=4 7183 B13R0.119 CC(CCCCCC(=O)O)OCC#N dfec908572bcddb646f1f0d67081efa6 [0,2,0,0,0,0|1,0,1]=4 7184 B13R0.119 CC(CCCCCC(=O)O)OCC=O d3a93b95512cfc845148ca75e8bebea4 [0,2,0,0,0,0|1,0,0]=3 7185 B13R0.119 CC(CCCCCC(=O)O)OCCF 10af51c04965da4a0de8da3c9326b8fc [0,2,0,0,0,0|1,0,1]=4 7186 B13R0.119 CC(CCCO)NCCCCC(=O)O 10062b7967631ef93053fd77d7f446c4 [0,2,0,0,0,0|1,0,1]=4 7187 B13R0.119 CCCCC(C)CCOCCC(=O)O 6e95e697222d71b6f869c91a8936eb90 [0,2,0,0,0,0|0,0,2]=4 7188 B13R0.119 CCCCC(C)NCCCCC(=O)O 5ad004698fe5230cb57783e24bd4f613 [0,2,0,0,0,0|0,0,2]=4 7189 B13R0.119 CCCOC(C)CCCCCC(=O)O 90562734e8cea4e673ac41abe750fc00 [0,2,0,0,0,0|0,0,2]=4 7190 B13R0.119 CN(C/C=C/Cl)CCOCCC(=O)O f338d591f9ad155d1fc5eb918f9098c6 [0,2,0,0,0,0|2,0,0]=4 7191 B13R0.119 CN(C/C=C\Cl)CCOCCC(=O)O da3379af792e11b8064a18a17dee6060 [0,2,0,0,0,0|2,0,0]=4 7192 B13R0.119 CN(C/C=C\O)CCOCCC(=O)O fdfe3a053134386037e316979be002ab [0,2,0,0,0,0|2,0,0]=4 7193 B13R0.119 CN(CCC=O)CCOCCC(=O)O f037a07921fe0925f5a55ae08ab6188c [0,2,0,0,0,0|2,0,0]=4 7194 B13R0.119 CSCCN(C)CCCCCC(=O)O 1c1cee8ea600b98c61cb80412be04e68 [0,2,0,0,0,0|1,0,1]=4 7195 B13R0.119 CSCOC(C)CCCCCC(=O)O f07d042f97efa2dc6b80cada16aafc8e [0,2,0,0,0,0|1,0,1]=4 7196 B13R0.119 C[C@H](CCCO)CNCCCC(=O)O 949e74bae01ade6cc1e60a9ec4c05085 [0,2,0,0,0,0|1,0,1]=4 7197 B13R0.119 C[C@H](CCCO)NCCCCC(=O)O ba05ae483cba61aaf54411c42cd90799 [0,2,0,0,0,0|1,0,1]=4 7198 B13R0.147 C#CC(O)CCCCCNCCC=C ee91c2925fe2d1747c0c9707abb07172 [0,2,0,0,0,0|1,0,1]=4 7199 B13R0.147 C#CCCCCCCNCC(=O)CO 1f3c5d302655bad689478639b0a227e8 [0,2,0,0,0,0|0,0,2]=4 7200 B13R0.147 C#CCCCCCCNCC(=O)NO fddf7ad7c8fb87b6892ef1df3990dc24 [0,2,0,0,0,0|0,0,2]=4 7201 B13R0.147 C#CCCCCCCNCC(=O)OC 7c5b6f84fd323de12188248a10f1f965 [0,2,0,0,0,0|0,0,2]=4 7202 B13R0.147 C#CCCCCCCOCC(=O)OC 123852f7b7f20f28aae245564def7aa2 [0,2,0,0,0,0|0,0,2]=4 7203 B13R0.147 C#CCCCCCNCCC(=O)NO e5d522af99482da5a15e7feb85274509 [0,2,0,0,0,0|0,0,2]=4 7204 B13R0.147 C#CCCCCCNCCC(=O)OC f572026b5d0d81042139362d8f098cce [0,2,0,0,0,0|0,0,2]=4 7205 B13R0.147 C#CCCCCCOCCC(=O)OC 00835eaa0f6c0fabd68713b570851b36 [0,2,0,0,0,0|0,0,2]=4 7206 B13R0.147 C#CCCCCNCCCC(=O)OC f679b2c0a66e1827c72bf16f7898b093 [0,2,0,0,0,0|0,0,2]=4 7207 B13R0.147 C#CCCCCOCCCC(=O)OC 4383617005d8c10d45ced919b8a03d5a [0,2,0,0,0,0|0,0,2]=4 7208 B13R0.147 C#CCCCNCCCCC(=O)OC cfa661103462ea3ac12f07bc5dfd2537 [0,2,0,0,0,0|0,0,2]=4 7209 B13R0.147 C#CCCCOCCCCC(=O)OC 3383b7261f911facb7f2a7d9883c90df [0,2,0,0,0,0|0,0,2]=4 7210 B13R0.147 C#CCCNCCCCCC(=O)OC 39d9d8a5f5f81aa09b35fd36a5b3ef11 [0,2,0,0,0,0|0,0,2]=4 7211 B13R0.147 C#CCCOCCCCCC(=O)OC 8f17e3cdae2e14d9b2e162e49fd01216 [0,2,0,0,0,0|0,0,2]=4 7212 B13R0.147 C#CCNCCCCCCC(=O)OC 09b1fe887f2709bfc2067693057fa783 [0,2,0,0,0,0|0,0,2]=4 7213 B13R0.147 C#CCOCCCCCCC(=O)OC 786ac421fe49082a353d778ec758a7e1 [0,2,0,0,0,0|0,0,2]=4 7214 B13R0.147 C/C=C/CCCOCCCC(=O)NC 70e9ead9f30607f3ce359d787f35936c [0,2,0,0,0,0|2,0,0]=4 7215 B13R0.147 C/C=C/CCCOCCCC(=O)OC 43493ccd354a14c26adc1f1ad3d94ee8 [0,2,0,0,0,0|1,0,0]=3 7216 B13R0.147 C/C=C/CCOCCCCC(=O)CC f713f32fd3cbed24ed836301370772b8 [0,2,0,0,0,0|2,0,0]=4 7217 B13R0.147 C/C=C/CCOCCCCC(=O)OC 46f874f0d7dbed16e6e492731c23bbee [0,2,0,0,0,0|1,0,0]=3 7218 B13R0.147 C/C=C/CCOCCOCC(=O)OC 900807b10fd8a6643fe3e179cdfd89d3 [0,2,0,0,0,0|2,0,0]=4 7219 B13R0.147 C/C=C/CNCCCCCC(=O)OC 3376385cff3f6005b927f4c1d9ab661f [0,2,0,0,0,0|1,0,0]=3 7220 B13R0.147 C/C=C/COCCCCCC(=O)OC 1911d6460139793a2f3081405bd3327c [0,2,0,0,0,0|1,0,0]=3 7221 B13R0.147 C/C=C/COCCCOCC(=O)OC 0abd817d370af212aaac78bf3465a409 [0,2,0,0,0,0|2,0,0]=4 7222 B13R0.147 C/C=C/COCCCSCC(=O)OC 76aa456d75b4c63c1b5531dbe0d5fd20 [0,2,0,0,0,0|2,0,0]=4 7223 B13R0.147 C/C=C/COCCOCCC(=O)OC 1b0326bdbd54f37e8c69bce1035bf62a [0,2,0,0,0,0|2,0,0]=4 7224 B13R0.147 C/C=C\CCCNCCCC(=O)OC 292175a050b28dacc5760071b4b540ab [0,2,0,0,0,0|1,0,0]=3 7225 B13R0.147 C/C=C\CCCOCCCC(=O)NC 7376648714c45be2372af120a0934ce2 [0,2,0,0,0,0|2,0,0]=4 7226 B13R0.147 C/C=C\CCCOCCCC(=O)OC dd0fc0f59d869923bcc799d114f56d4c [0,2,0,0,0,0|1,0,0]=3 7227 B13R0.147 C/C=C\CCCOCCOC(=O)OC cb97dba5d19278f8e67a1de2034c4502 [0,2,0,0,0,0|2,0,0]=4 7228 B13R0.147 C/C=C\CNCCCCCC(=O)OC cb650e2a855bd688eebe8bc21614e123 [0,2,0,0,0,0|1,0,0]=3 7229 B13R0.147 C/C=C\COCCCCCC(=O)OC 89884dd8a0a33fc7719df130c3a75829 [0,2,0,0,0,0|1,0,0]=3 7230 B13R0.147 C/C=C\COCCCOCC(=O)OC 35d59ac691c48aeaf418e29019b85474 [0,2,0,0,0,0|2,0,0]=4 7231 B13R0.147 C/C=C\COCCCSCC(=O)OC 1d0852ff4bb850589e742b49032f123c [0,2,0,0,0,0|2,0,0]=4 7232 B13R0.147 C/C=C\COCCOCCC(=O)OC 21c6d06803219755925a49bb92b0a0af [0,2,0,0,0,0|2,0,0]=4 7233 B13R0.147 C=C/C=C/CCNCCCC(=O)OC 82c4fa96e747763e5f04f605bd1c053c [0,2,0,0,0,0|0,0,2]=4 7234 B13R0.147 C=C=CCCOCCCCC(=O)CC bfe772f062d6138d17fb023992d03a8f [0,2,0,0,0,0|2,0,0]=4 7235 B13R0.147 C=C=CCCOCCCCC(=O)OC 157e81411ca7082406d51988d23b6e98 [0,2,0,0,0,0|1,0,0]=3 7236 B13R0.147 C=C=CCCOCCOCC(=O)OC bb48b7859ff41092fa6768d34f0ea5df [0,2,0,0,0,0|2,0,0]=4 7237 B13R0.147 C=CC(=O)CCCOCCC/C=C/C d92bfc1515613e6d024ec0ba99e49117 [0,2,0,0,0,0|2,0,0]=4 7238 B13R0.147 C=CC(=O)CCCOCCC/C=C\C f9b55aaea4fecc70f320461b4ad4e9de [0,2,0,0,0,0|2,0,0]=4 7239 B13R0.147 C=CC(=O)CCCOCCCC=CC 3f01e7eabb71e7d6817358f3aec7400a [0,2,0,0,0,0|2,0,0]=4 7240 B13R0.147 C=CC(=O)CCCOCCCCC=O fdd3b5d385fe8e6d07ef5046bec19dff [0,2,0,0,0,0|2,0,0]=4 7241 B13R0.147 C=CCC#CCCOCCC(=O)OC db912fbbcc1dee4c7e9098c051a49916 [0,2,0,0,0,0|0,0,2]=4 7242 B13R0.147 C=CCCC/C=C/COCC(=O)OC 9c975f0e034f736889c8d834f24a0957 [0,2,0,0,0,0|0,0,2]=4 7243 B13R0.147 C=CCCCCCCCNC(C)CO 309f78a6d27faa6f5cc3afafd94ded4f [0,2,0,0,0,0|1,0,1]=4 7244 B13R0.147 C=CCCCCCCCN[C@@H](C)CO 825b37b90590bc4c30e7b43a785314b0 [0,2,0,0,0,0|1,0,1]=4 7245 B13R0.147 C=CCCCCCCCN[C@H](C)CO e538ca79cf130afae3adbd7a6a608f64 [0,2,0,0,0,0|1,0,1]=4 7246 B13R0.147 C=CCCCCCCCOC(=C)C=O a60b3b9f8012898f57dd440bf44d9b61 [0,2,0,0,0,0|1,0,0]=3 7247 B13R0.147 C=CCCCCCCCOC(C)C=O 9993f8d637ac1e54a7601fd60fdc592c [0,2,0,0,0,0|1,0,1]=4 7248 B13R0.147 C=CCCCCCCCO[C@H](C)C=O 56762cf54ea67b5c83ab93a9b04aa228 [0,2,0,0,0,0|1,0,1]=4 7249 B13R0.147 C=CCCCCCCNCC(=O)NC 33485002b32d8413441359d92e30a884 [0,2,0,0,0,0|1,0,0]=3 7250 B13R0.147 C=CCCCCCCNCC(=O)NO f4586777657480980c132b811a5e444d [0,2,0,0,0,0|0,0,0]=2 7251 B13R0.147 C=CCCCCCCNCC(=O)OC bc6993a9f15cb7a8a251cead61d029cd [0,2,0,0,0,0|0,0,0]=2 7252 B13R0.147 C=CCCCCCCNCC(C)CO 2d51e8a9b7ce4e5fa5de32a5604cdf47 [0,2,0,0,0,0|1,0,1]=4 7253 B13R0.147 C=CCCCCCCNCC(F)CO e985d5a5d65c1d38ac69f5667f9c5644 [0,2,0,0,0,0|1,0,1]=4 7254 B13R0.147 C=CCCCCCCNCC(O)C=C c98d96ec3daf61e3bf9dae53e4dd2266 [0,2,0,0,0,0|1,0,1]=4 7255 B13R0.147 C=CCCCCCCNCC(O)CC 5bff3c69cdaed6e9b77a24ebea61fc58 [0,2,0,0,0,0|1,0,1]=4 7256 B13R0.147 C=CCCCCCCNCC(O)CO 1b2c324e3935fd093758fe062c196823 [0,2,0,0,0,0|0,0,2]=4 7257 B13R0.147 C=CCCCCCCNC[C@@H](C)OC d5ff880fc490a6dcec85047ebaca5926 [0,2,0,0,0,0|1,0,1]=4 7258 B13R0.147 C=CCCCCCCNC[C@@H](F)CO 336499de418673a3cc07af8601061f1f [0,2,0,0,0,0|1,0,1]=4 7259 B13R0.147 C=CCCCCCCNC[C@@H](O)CO 31e8199542c79d3895ed611f79eaab59 [0,2,0,0,0,0|0,0,2]=4 7260 B13R0.147 C=CCCCCCCNC[C@H](C)CO dfedd984bf6a746673851f5ff0e6b80a [0,2,0,0,0,0|1,0,1]=4 7261 B13R0.147 C=CCCCCCCNC[C@H](C)OC 478a4521c2d8ad1d5182d47540d820fc [0,2,0,0,0,0|1,0,1]=4 7262 B13R0.147 C=CCCCCCCNC[C@H](F)CO 789686f465121787f6b182f5516a3e72 [0,2,0,0,0,0|1,0,1]=4 7263 B13R0.147 C=CCCCCCCNC[C@H](O)CC 1571dc87b650dbb91bf6f90cb587cd95 [0,2,0,0,0,0|1,0,1]=4 7264 B13R0.147 C=CCCCCCCNC[C@H](O)CO 63db5dff60554b94379a8a8f8e947050 [0,2,0,0,0,0|0,0,2]=4 7265 B13R0.147 C=CCCCCCCOC/C(=C/Cl)/Cl f77957edc0378b16ba969e6cb5f70156 [0,2,0,0,0,0|2,0,0]=4 7266 B13R0.147 C=CCCCCCCOC/C(=C/I)/C 10000a76cdc3521abebee9785534e4d4 [0,2,0,0,0,0|2,0,0]=4 7267 B13R0.147 C=CCCCCCCOCC(=C)C#N 980a5bf64706fd5c57aa32d8827607ab [0,2,0,0,0,0|2,0,0]=4 7268 B13R0.147 C=CCCCCCCOCC(=C)CC 21f8ed98d8e8ad2341f4f573f941fbdb [0,2,0,0,0,0|2,0,0]=4 7269 B13R0.147 C=CCCCCCCOCC(=C)OC 6acaeeadf6487ffda566dbf573293dc7 [0,2,0,0,0,0|1,0,0]=3 7270 B13R0.147 C=CCCCCCCOCC(=CI)C c3c736379d8a7bdd82588700668a6e8b [0,2,0,0,0,0|2,0,0]=4 7271 B13R0.147 C=CCCCCCCOCC(=O)CC b74af5af88a1eee65ec60f9b64395a1a [0,2,0,0,0,0|1,0,0]=3 7272 B13R0.147 C=CCCCCCCOCC(=O)NC 4800e14c1d5c1aae5a9cc755b3ba0c9b [0,2,0,0,0,0|1,0,0]=3 7273 B13R0.147 C=CCCCCCCOCC(=O)OC 6f489cdfc096a6a016b833330a6dac3c [0,2,0,0,0,0|0,0,0]=2 7274 B13R0.147 C=CCCCCCCOCC(C)OC f7d6ea9b93b4b3ed58cb24b6c9c050d2 [0,2,0,0,0,0|1,0,1]=4 7275 B13R0.147 C=CCCCCCCOCC(O)CO 6c2622b2145939524f62a4af7e2800ec [0,2,0,0,0,0|0,0,2]=4 7276 B13R0.147 C=CCCCCCCOC[C@@H](C)OC c1bb2719f37e7de1da5bc05bee8b9bd8 [0,2,0,0,0,0|1,0,1]=4 7277 B13R0.147 C=CCCCCCCOC[C@@H](O)CO 66bb843ea73ce3f8877d7b3ca42f9099 [0,2,0,0,0,0|0,0,2]=4 7278 B13R0.147 C=CCCCCCCOC[C@H](C)OC 6fbe0d8383fb163f98f86f72bd902837 [0,2,0,0,0,0|1,0,1]=4 7279 B13R0.147 C=CCCCCCCOC[C@H](O)CO 62dc7c93c7ac396e06e5a6c5eb98ed9b [0,2,0,0,0,0|0,0,2]=4 7280 B13R0.147 C=CCCCCCNCCC(=O)NC 9b86765babcde9a01f45639895fd20ed [0,2,0,0,0,0|1,0,0]=3 7281 B13R0.147 C=CCCCCCNCCC(=O)NO 25656437fe18c9d5ab747e7ea09b8605 [0,2,0,0,0,0|0,0,0]=2 7282 B13R0.147 C=CCCCCCNCCC(=O)OC 0d6f0525262c78c0188ce1a5545889fe [0,2,0,0,0,0|0,0,0]=2 7283 B13R0.147 C=CCCCCCNCCC(C)CO 29ad857dbda39be05f2dd5599f77c4f9 [0,2,0,0,0,0|1,0,1]=4 7284 B13R0.147 C=CCCCCCNCCC(O)CO 1622498c81316246468bdfb3b3485436 [0,2,0,0,0,0|0,0,2]=4 7285 B13R0.147 C=CCCCCCNCCS(=O)CC 2830b4316ba3d2aa7279c6769b45ef6a [0,2,0,0,0,0|2,0,0]=4 7286 B13R0.147 C=CCCCCCNCC[C@@H](C)CO 68b2ee53db160e5828aa86ae089990df [0,2,0,0,0,0|1,0,1]=4 7287 B13R0.147 C=CCCCCCNCOC(=O)CC 2a725c5758ee1eb898a012c760c0be3a [0,2,0,0,0,0|2,0,0]=4 7288 B13R0.147 C=CCCCCCNCOC(=O)OC 8e531a5ee66876c9c7abc182b832b55c [0,2,0,0,0,0|1,0,0]=3 7289 B13R0.147 C=CCCCCCOCCC(=O)NC 3d7821e159b53ab47f8712d560fe2574 [0,2,0,0,0,0|1,0,0]=3 7290 B13R0.147 C=CCCCCCOCCC(=O)OC 50c6e9795f28c3a60ab4cedb13ec45a8 [0,2,0,0,0,0|0,0,0]=2 7291 B13R0.147 C=CCCCCCOCCC(C)OC db9257d89bcc7b9113cffe656028cf4e [0,2,0,0,0,0|1,0,1]=4 7292 B13R0.147 C=CCCCCCOCCN(C)C=O b76d4c9b5b71e61a23f56eb94bd638e5 [0,2,0,0,0,0|2,0,0]=4 7293 B13R0.147 C=CCCCCCOCCS(=O)CC a95701d862c011990fe776eb5e361cff [0,2,0,0,0,0|2,0,0]=4 7294 B13R0.147 C=CCCCCCOCNC(=O)C=C fdfcaa051f63117326a1c5a2f9b96803 [0,2,0,0,0,0|2,0,0]=4 7295 B13R0.147 C=CCCCCCOCOC(=O)CC a382d2a6a291e5a61fa4019b0c7ecd2f [0,2,0,0,0,0|2,0,0]=4 7296 B13R0.147 C=CCCCCCOCOC(=O)OC 77b6e26ebe993ac1751da4d87037e8af [0,2,0,0,0,0|1,0,0]=3 7297 B13R0.147 C=CCCCCNC/C=C/C(=O)OC d5222feb294df574d921896adb6705d7 [0,2,0,0,0,0|0,0,2]=4 7298 B13R0.147 C=CCCCCNC/C=C\C(=O)OC 870a721fd4306eafdc6ce8938e3297aa [0,2,0,0,0,0|0,0,2]=4 7299 B13R0.147 C=CCCCCNCC#CC(=O)OC a13207633d3713914702d4fb2300faa7 [0,2,0,0,0,0|0,0,2]=4 7300 B13R0.147 C=CCCCCNCC=CC(=O)OC 69f5f2f19f9d9e51c5fa1f49a6cc3eef [0,2,0,0,0,0|0,0,2]=4 7301 B13R0.147 C=CCCCCNCCCC(=O)C=C 62c6a91746dee0f24760b087a7110406 [0,2,0,0,0,0|1,0,0]=3 7302 B13R0.147 C=CCCCCNCCCC(=O)NC 93f82163228fde9406dc77ae830f1ed6 [0,2,0,0,0,0|1,0,0]=3 7303 B13R0.147 C=CCCCCNCCCC(=O)OC dce61a23b2d301cab23242e4858d853e [0,2,0,0,0,0|0,0,0]=2 7304 B13R0.147 C=CCCCCNCCCC(C)CO c5cb863b790c28e8a17587261a1c3412 [0,2,0,0,0,0|1,0,1]=4 7305 B13R0.147 C=CCCCCNCCNC(=O)C=C 5ba9923d0f229bf928552616a5021e4a [0,2,0,0,0,0|2,0,0]=4 7306 B13R0.147 C=CCCCCNCCNC(=O)CC 9a586a397771a0ac0cb17e70a4e17a30 [0,2,0,0,0,0|2,0,0]=4 7307 B13R0.147 C=CCCCCNCCOC(=O)C=C 284c1e2a18bea6b63d4bdf9a5b3bb8e2 [0,2,0,0,0,0|2,0,0]=4 7308 B13R0.147 C=CCCCCOC/C=C/C(=O)OC 2ff01a997a2f2cdee8dc5e3420a02e85 [0,2,0,0,0,0|0,0,2]=4 7309 B13R0.147 C=CCCCCOC/C=C\C(=O)OC 7b8bb11a77d935a0aaf880673971a304 [0,2,0,0,0,0|0,0,2]=4 7310 B13R0.147 C=CCCCCOCC#CC(=O)OC c3ab44a3a881a47f7835e3ea63f82ee7 [0,2,0,0,0,0|0,0,2]=4 7311 B13R0.147 C=CCCCCOCC=CC(=O)OC 086c544989ef611e34bac40ce36bc4bd [0,2,0,0,0,0|0,0,2]=4 7312 B13R0.147 C=CCCCCOCCCC(=O)C=C 86be67cc17cabdeb77ed97541acdf9d8 [0,2,0,0,0,0|1,0,0]=3 7313 B13R0.147 C=CCCCCOCCCC(=O)NC 23f7bc068ae133b46a2f9e2a59b3eb32 [0,2,0,0,0,0|1,0,0]=3 7314 B13R0.147 C=CCCCCOCCCC(=O)OC 107933a92097805ad9162a8053d77b6a [0,2,0,0,0,0|0,0,0]=2 7315 B13R0.147 C=CCCCCOCCNC(=O)C=C 845d4859bbd193571c687b05d0d03894 [0,2,0,0,0,0|2,0,0]=4 7316 B13R0.147 C=CCCCCOCCNC(=O)CC bbfd7b62c79618eb25c8ff7829bfc4ed [0,2,0,0,0,0|2,0,0]=4 7317 B13R0.147 C=CCCCCOCCOC(=O)C=C 058f8d978d2910d4da3e1ebe633d2f75 [0,2,0,0,0,0|2,0,0]=4 7318 B13R0.147 C=CCCCCOCCOC(=O)CC 744d713a265d69ededadbbe96fe4a21e [0,2,0,0,0,0|2,0,0]=4 7319 B13R0.147 C=CCCCCOCCOC(=O)OC 763d93b107e449c1aadd8a483eafc500 [0,2,0,0,0,0|1,0,0]=3 7320 B13R0.147 C=CCCCNCCCCC(=O)CC 4fce75376982d727cd79b2e23c537a8e [0,2,0,0,0,0|1,0,0]=3 7321 B13R0.147 C=CCCCNCCCCC(=O)OC dc440899ad0886dfa5e84678543d3cc8 [0,2,0,0,0,0|0,0,0]=2 7322 B13R0.147 C=CCCCNCCOCC(=O)OC 04846bf8dfb0476050b28ac6780c6414 [0,2,0,0,0,0|1,0,0]=3 7323 B13R0.147 C=CCCCOCCCCC(=O)CC a40914a7291e3dc69b5cfb90bdbff355 [0,2,0,0,0,0|1,0,0]=3 7324 B13R0.147 C=CCCCOCCCCC(=O)OC ebf43ac82b642d69958deb965e7f66d6 [0,2,0,0,0,0|0,0,0]=2 7325 B13R0.147 C=CCCCOCCCNC(=O)C=C 494bd7b7d0ece91990c2bcf116657ca9 [0,2,0,0,0,0|2,0,0]=4 7326 B13R0.147 C=CCCCOCCOCC(=O)OC 002577432ae9edd0602d4aee476cca3f [0,2,0,0,0,0|1,0,0]=3 7327 B13R0.147 C=CCCNCCCCCC(=O)OC faef26559166303ae3ca8d1b97afa6f9 [0,2,0,0,0,0|0,0,0]=2 7328 B13R0.147 C=CCCNCCCOCC(=O)OC 53ed80cf02633296d1536fcaae44862f [0,2,0,0,0,0|1,0,0]=3 7329 B13R0.147 C=CCCNCCCSCC(=O)OC 339114b36925a3bfe9ad17688ca7d69b [0,2,0,0,0,0|1,0,0]=3 7330 B13R0.147 C=CCCOCCCCCC(=O)OC 8a0b7d04b666eacc747e28edc6bf9a09 [0,2,0,0,0,0|0,0,0]=2 7331 B13R0.147 C=CCCOCCCCNC(=O)C=C 2cfbc92377e59a0d149653f87c1ccdd3 [0,2,0,0,0,0|2,0,0]=4 7332 B13R0.147 C=CCCOCCCCOC(=O)C=C b16b4c78ff3dd9f8df3a8aef0e6d705c [0,2,0,0,0,0|2,0,0]=4 7333 B13R0.147 C=CCCOCCCOCC(=O)OC e77c6e018e75c63d3662e71445a5dfb4 [0,2,0,0,0,0|1,0,0]=3 7334 B13R0.147 C=CCCOCCCSCC(=O)OC c8e1742bc31e133570896a4664aa4fde [0,2,0,0,0,0|1,0,0]=3 7335 B13R0.147 C=CCCOCCOCCC(=O)OC 86fa716ca1d24e095c9f7c77ad726326 [0,2,0,0,0,0|1,0,0]=3 7336 B13R0.147 C=CCNCCCCCCC(=O)OC 915573df6dd4e753248adf70aa77c609 [0,2,0,0,0,0|0,0,0]=2 7337 B13R0.147 C=CCOCCCCCCC(=O)OC 3c85ae3a9b9a35cce313bfe3487a1ff8 [0,2,0,0,0,0|0,0,0]=2 7338 B13R0.147 C=CCOCCCCCOC(=O)C=C f68239f293b9a4aff215c15f18c1b212 [0,2,0,0,0,0|2,0,0]=4 7339 B13R0.147 C=CCOCCCOCCC(=O)OC c60204d6635fbd4158ed477f1699700b [0,2,0,0,0,0|1,0,0]=3 7340 B13R0.147 C=CCOCCNCCCC(=O)OC 88ecb60446fec5818232aebc079528aa [0,2,0,0,0,0|1,0,0]=3 7341 B13R0.147 C=CCOCCOCCCC(=O)C=C c6f9de318c222469cb6531797adc6e14 [0,2,0,0,0,0|2,0,0]=4 7342 B13R0.147 C=CCOCCOCCCC(=O)NC 9d407e9b18cd1065d478c232624cab52 [0,2,0,0,0,0|2,0,0]=4 7343 B13R0.147 C=CCOCCOCCCC(=O)OC 35fc9f02acbdad2c634351810373314f [0,2,0,0,0,0|1,0,0]=3 7344 B13R0.147 C=CCOCCOCCOC(=O)OC eccfd6b06ea1e984d07ee205828d1ad8 [0,2,0,0,0,0|2,0,0]=4 7345 B13R0.147 C=COCCCCOCCC(=O)NC ee15fa3df017c14e40ec024ed7565c8d [0,2,0,0,0,0|2,0,0]=4 7346 B13R0.147 C=COCCCCOCCC(=O)OC f81dec21d7b1ab804a48d6f5fa922211 [0,2,0,0,0,0|1,0,0]=3 7347 B13R0.147 C=COCCCCOCOC(=O)OC 82950e5bc454134428b07e8a0f7eb5e6 [0,2,0,0,0,0|2,0,0]=4 7348 B13R0.147 C=COCCCNCCCC(=O)C=C 5e2190dec2e28ad7f86f7776350a1aec [0,2,0,0,0,0|2,0,0]=4 7349 B13R0.147 C=COCCCNCCCC(=O)NC 9a4c8411852ada8f445ae39e036c258f [0,2,0,0,0,0|2,0,0]=4 7350 B13R0.147 C=COCCCNCCCC(=O)OC 4be40eed8aa56f9400b259540c51a09c [0,2,0,0,0,0|1,0,0]=3 7351 B13R0.147 C=COCCNCCCCC(=O)CC 53a1fb12dc4bfe42b61e974e4e45cdeb [0,2,0,0,0,0|2,0,0]=4 7352 B13R0.147 C=COCCNCCCCC(=O)OC 20f72b43aee6358203848d7124257518 [0,2,0,0,0,0|1,0,0]=3 7353 B13R0.147 C=COCCNCCOCC(=O)OC ad3856e9ad8bd84a6aa6e01c18a47bec [0,2,0,0,0,0|2,0,0]=4 7354 B13R0.147 C=COCCOCCCCC(=O)CC ece7c51484858302a2b498f9d82b8a4b [0,2,0,0,0,0|2,0,0]=4 7355 B13R0.147 C=COCCOCCCCC(=O)OC b4ef50fb97b63da86fd433b4e38727e5 [0,2,0,0,0,0|1,0,0]=3 7356 B13R0.147 C=COCCOCCOCC(=O)OC dcf19cfe0a1732d89105463d50de37de [0,2,0,0,0,0|2,0,0]=4 7357 B13R0.147 CC=CCCCOCCCC(=O)NC 2f198f2bca1621e2e241e3e519a8cfbd [0,2,0,0,0,0|2,0,0]=4 7358 B13R0.147 CC=CCCCOCCCC(=O)OC 471a204673afd692cb911531a16ddd5f [0,2,0,0,0,0|1,0,0]=3 7359 B13R0.147 CC=CCNCCCCCC(=O)OC 9cfed13bd2fbf93f7d12c448f707d7ab [0,2,0,0,0,0|1,0,0]=3 7360 B13R0.147 CC=CCNCCCOCC(=O)OC ddde47213df2c4f6d5ae65a3c0eedad3 [0,2,0,0,0,0|2,0,0]=4 7361 B13R0.147 CC=CCNCCCSCC(=O)OC d3785ef653369971b55f53ffe7d90121 [0,2,0,0,0,0|2,0,0]=4 7362 B13R0.147 CC=CCOCCCCCC(=O)OC ffbc76ac6d40b5a42529b9b6b5c8fccb [0,2,0,0,0,0|1,0,0]=3 7363 B13R0.147 CC=CCOCCCOCC(=O)OC f7bedae52ac2bc5f50bd8a7df34fc02e [0,2,0,0,0,0|2,0,0]=4 7364 B13R0.147 CC=CCOCCCSCC(=O)OC badb7fb89494bf301c50b81ce0d3523f [0,2,0,0,0,0|2,0,0]=4 7365 B13R0.147 CCC(=O)CCCCOCCCC=O 7d9ad8b54020391a1dedf69ff99a7cdc [0,2,0,0,0,0|2,0,0]=4 7366 B13R0.147 CCC(=O)COCCCCCCC=O 0da2e2de155bb87b196ae9c3a06151d5 [0,2,0,0,0,0|2,0,0]=4 7367 B13R0.147 CCCCCCCCCNC(=O)CO 92c25d5e3b910d35b28c819015c37d24 [0,2,0,0,0,0|0,0,2]=4 7368 B13R0.147 CCCCCCCCNCC(=O)CO f586ce7a669e24502f466e4e7886aee3 [0,2,0,0,0,0|0,0,2]=4 7369 B13R0.147 CCCCCCCCNCC(=O)NO ff56059b567ccba4cc7bbd233161257b [0,2,0,0,0,0|0,0,2]=4 7370 B13R0.147 CCCCCCCCNCC(=O)OC 2ae9ea9c59c8976c9984601465b5b02d [0,2,0,0,0,0|0,0,2]=4 7371 B13R0.147 CCCCCCCCOCC(=O)OC 28a5946e499ca9a413bae6ef00eed1eb [0,2,0,0,0,0|0,0,2]=4 7372 B13R0.147 CCCCCCCNCCC(=O)NO 89bbc52765a09d657df6ea07b1da7893 [0,2,0,0,0,0|0,0,2]=4 7373 B13R0.147 CCCCCCCNCCC(=O)OC 7d2596dcada6929b32da4dc69c088282 [0,2,0,0,0,0|0,0,2]=4 7374 B13R0.147 CCCCCCCOCCC(=O)OC 71cd9b89c3422aa8005afc8ac30b8e5e [0,2,0,0,0,0|0,0,2]=4 7375 B13R0.147 CCCCCCNCCCC(=O)OC 78467be93127cc6a8620ff69cb262067 [0,2,0,0,0,0|0,0,2]=4 7376 B13R0.147 CCCCCCOCCCC(=O)OC 83b21499363d4744613a93318c3a0fe3 [0,2,0,0,0,0|0,0,2]=4 7377 B13R0.147 CCCCCNCCCCC(=O)OC 46a7e105511c0c93f9cb151aa4f15e47 [0,2,0,0,0,0|0,0,2]=4 7378 B13R0.147 CCCCCOCCCCC(=O)OC 980807aea6e63d008afe797fc55d3688 [0,2,0,0,0,0|0,0,2]=4 7379 B13R0.147 CCCCNCCCCCC(=O)OC a815ffae1e1916161e83c058cacea182 [0,2,0,0,0,0|0,0,2]=4 7380 B13R0.147 CCCCOCCCCCC(=O)OC 970a443bfeac90c9af69acf488d88f4a [0,2,0,0,0,0|0,0,2]=4 7381 B13R0.147 CCCNCCCCCCC(=O)OC 62f8a1b7de961688139cc6bfc52af8c3 [0,2,0,0,0,0|0,0,2]=4 7382 B13R0.147 CCCOCCCCCCC(=O)OC f22704949f18012fcce5f0588f5c567c [0,2,0,0,0,0|0,0,2]=4 7383 B13R0.147 CCNCCCCCCCC(=O)OC 7489671079ef4bbb11b756d13d5984fb [0,2,0,0,0,0|0,0,2]=4 7384 B13R0.147 CCOCCCCCCCC(=O)OC f0bf047e1cf69e0c5d7b51c202029115 [0,2,0,0,0,0|0,0,2]=4 7385 B13R0.147 CNC(=O)CCCOCCCCC=O 42465d41dab8283f9ea3d0f28d60141a [0,2,0,0,0,0|2,0,0]=4 7386 B13R0.147 CNC(=O)CCNCCCCCC=O 5873136f4debc3259272bd4611a5be72 [0,2,0,0,0,0|2,0,0]=4 7387 B13R0.147 CNC(=O)CCOCCCCCC=O b550d0f06a4edd49969f69415311d4dc [0,2,0,0,0,0|2,0,0]=4 7388 B13R0.147 CNC(=O)CNCCCCCCC=O ba11cc4310e52322ca78df16ddf7a1b6 [0,2,0,0,0,0|2,0,0]=4 7389 B13R0.147 CNC(=O)COCCCCCCC=O ed8e439fb8c64ac26cf91e5a6ede560a [0,2,0,0,0,0|2,0,0]=4 7390 B13R0.147 COC(=O)CCCCCCCNC#N e3f747f3569e47399fea271b8f79323d [0,2,0,0,0,0|1,0,1]=4 7391 B13R0.147 COC(=O)CCCCCCCNC=O 29ad81f89df1aa39031dfc8fb0c660f8 [0,2,0,0,0,0|1,0,0]=3 7392 B13R0.147 COC(=O)CCCCCCCNCF a8ee8da366a75f8b9904c72aa34a6e9a [0,2,0,0,0,0|1,0,1]=4 7393 B13R0.147 COC(=O)CCCCCCCNCO e9ffd08bcc13f1bc24e9e035718898d1 [0,2,0,0,0,0|1,0,1]=4 7394 B13R0.147 COC(=O)CCCCCCCOCF d69c2f6e240d3e0270efb38199ff319b [0,2,0,0,0,0|1,0,1]=4 7395 B13R0.147 COC(=O)CCCCCCNCC#N 064d113c950585963c1b5256eceb3165 [0,2,0,0,0,0|1,0,1]=4 7396 B13R0.147 COC(=O)CCCCCCNCC=O e917d9c52c99aabfd5305470bd059c6b [0,2,0,0,0,0|1,0,0]=3 7397 B13R0.147 COC(=O)CCCCCCNCCBr 4373850f450c665fc093e62ad21addad [0,2,0,0,0,0|1,0,1]=4 7398 B13R0.147 COC(=O)CCCCCCNCCF 1ee7d55485d0ef0d0bcfce8fc2dcc494 [0,2,0,0,0,0|1,0,1]=4 7399 B13R0.147 COC(=O)CCCCCCNCCI 3fb8db4404a1474976955247c8350071 [0,2,0,0,0,0|1,0,1]=4 7400 B13R0.147 COC(=O)CCCCCCNCCO 2f24700e49e8f363609dc28431116cef [0,2,0,0,0,0|1,0,1]=4 7401 B13R0.147 COC(=O)CCCCCCNCCS 06db1d056d9126aa82cc5c6183392f77 [0,2,0,0,0,0|1,0,1]=4 7402 B13R0.147 COC(=O)CCCCCCNCSC 4271a8a2929dde83064fc44507f666c1 [0,2,0,0,0,0|1,0,1]=4 7403 B13R0.147 COC(=O)CCCCCCOCC#N dc48fe77b738c5048519fbb9ac8d1fcf [0,2,0,0,0,0|1,0,1]=4 7404 B13R0.147 COC(=O)CCCCCCOCC=O 33dff839e11c2cfc592708f7484953a1 [0,2,0,0,0,0|1,0,0]=3 7405 B13R0.147 COC(=O)CCCCCCOCCF bf5f616cb32262d861730bb10fc3b3f6 [0,2,0,0,0,0|1,0,1]=4 7406 B13R0.147 COC(=O)CCCCCCOCCS a3362ae7175f3ce2c4afece78e40185a [0,2,0,0,0,0|1,0,1]=4 7407 B13R0.147 COC(=O)CCCCCCOCSC 0adda32d5b6bbfefb0f1a0b5c2e6e997 [0,2,0,0,0,0|1,0,1]=4 7408 B13R0.147 COC(=O)CCCCCNC/C=C/Cl 43730a3cff75633ef57b34a3b60d8b28 [0,2,0,0,0,0|1,0,0]=3 7409 B13R0.147 COC(=O)CCCCCNC/C=C\Cl 495dea785f9126dbb83c8800472d08c5 [0,2,0,0,0,0|1,0,0]=3 7410 B13R0.147 COC(=O)CCCCCNC/C=C\O 47b79eb6253895f2b3d76972bb9f8b32 [0,2,0,0,0,0|1,0,0]=3 7411 B13R0.147 COC(=O)CCCCCNCCC#N bdb6cbff0c9e5699275411e41256fd4b [0,2,0,0,0,0|1,0,1]=4 7412 B13R0.147 COC(=O)CCCCCNCCC=O 14b86baca6e60e7587a11f3191932988 [0,2,0,0,0,0|1,0,0]=3 7413 B13R0.147 COC(=O)CCCCCNCCCCl e7f2355ee871e73e1048b21bf57fa728 [0,2,0,0,0,0|1,0,1]=4 7414 B13R0.147 COC(=O)CCCCCNCCCF d788a9b2c6269ad20834645d61c13516 [0,2,0,0,0,0|1,0,1]=4 7415 B13R0.147 COC(=O)CCCCCNCCCO 0a435806f24fab99402538b5f3f82cda [0,2,0,0,0,0|1,0,1]=4 7416 B13R0.147 COC(=O)CCCCCNCCCS 81b1117264a03b86b146bfaf3bd05ec1 [0,2,0,0,0,0|1,0,1]=4 7417 B13R0.147 COC(=O)CCCCCNCCON bcdd42c7c4be8ae1d7b879229028c609 [0,2,0,0,0,0|2,0,0]=4 7418 B13R0.147 COC(=O)CCCCCNCCSC 9da0291d557d1a37a989ebb22f464780 [0,2,0,0,0,0|1,0,1]=4 7419 B13R0.147 COC(=O)CCCCCOC/C=C/Cl 4b65c167123cc8f9a9c8dfef89641b1c [0,2,0,0,0,0|1,0,0]=3 7420 B13R0.147 COC(=O)CCCCCOC/C=C\Cl 1f9262eeb5988840873040cd4d8a0f58 [0,2,0,0,0,0|1,0,0]=3 7421 B13R0.147 COC(=O)CCCCCOCC=CCl 9e7ae781ed4011237521bbae9523e325 [0,2,0,0,0,0|1,0,0]=3 7422 B13R0.147 COC(=O)CCCCCOCCC#N 9b26559f9a017fa72648d10a4f043b17 [0,2,0,0,0,0|1,0,1]=4 7423 B13R0.147 COC(=O)CCCCCOCCC=O e112d174b5a4a7bb64a4c1ccc3da3790 [0,2,0,0,0,0|1,0,0]=3 7424 B13R0.147 COC(=O)CCCCCOCCCF 8d5234544a95e0f24db572fe433d1a24 [0,2,0,0,0,0|1,0,1]=4 7425 B13R0.147 COC(=O)CCCCCOCCCS 6cfd6992d68e6f19a560f1b91fc7d192 [0,2,0,0,0,0|1,0,1]=4 7426 B13R0.147 COC(=O)CCCCCOCCSC ee286d98d6bc4def5949dc7336628b00 [0,2,0,0,0,0|1,0,1]=4 7427 B13R0.147 COC(=O)CCCCNCCCC#N 513d676fc1f7f41d91519af4769e34df [0,2,0,0,0,0|1,0,1]=4 7428 B13R0.147 COC(=O)CCCCNCCCC=O 134e975008ba8644da0a3110776d7c3b [0,2,0,0,0,0|1,0,0]=3 7429 B13R0.147 COC(=O)CCCCNCCCCCl 7f629bfce31e778bb48187fa620d0b45 [0,2,0,0,0,0|1,0,1]=4 7430 B13R0.147 COC(=O)CCCCNCCCCF a34c7bace4ad7d8f27ec753a6b660535 [0,2,0,0,0,0|1,0,1]=4 7431 B13R0.147 COC(=O)CCCCNCCCCO 6d14c174f81081eb42ac77efdaaf40dc [0,2,0,0,0,0|1,0,1]=4 7432 B13R0.147 COC(=O)CCCCNCCCCS e2d19bf1e4aa9a5180e40a6e19049fa6 [0,2,0,0,0,0|1,0,1]=4 7433 B13R0.147 COC(=O)CCCCNCCCSC 37e049a533038ef7bf4c4600d967db3f [0,2,0,0,0,0|1,0,1]=4 7434 B13R0.147 COC(=O)CCCCOC/C=C/C=O 45c1093f18879e8eab7242643e1dae65 [0,2,0,0,0,0|1,0,1]=4 7435 B13R0.147 COC(=O)CCCCOCCCC#N 9c4596b52a4027ff351a8b6fb431143b [0,2,0,0,0,0|1,0,1]=4 7436 B13R0.147 COC(=O)CCCCOCCCC=O 82f4ef1a14f2521b3f11070226a6d297 [0,2,0,0,0,0|1,0,0]=3 7437 B13R0.147 COC(=O)CCCCOCCCCF 0efbc1d65709e779f9ccb56e51329210 [0,2,0,0,0,0|1,0,1]=4 7438 B13R0.147 COC(=O)CCCCOCCCCS 4ecdb6068328aa5af866af98c80c0b6e [0,2,0,0,0,0|1,0,1]=4 7439 B13R0.147 COC(=O)CCCCOCCCSC 568379774f8735ff054d2e6a26cde05e [0,2,0,0,0,0|1,0,1]=4 7440 B13R0.147 COC(=O)CCCCOCCNC=O 305db82be40afa7f926105f1f1f29d94 [0,2,0,0,0,0|2,0,0]=4 7441 B13R0.147 COC(=O)CCCCOCCOC=O bf148298b3d4058a57aee9cbd8ac41ae [0,2,0,0,0,0|2,0,0]=4 7442 B13R0.147 COC(=O)CCCNCCCCC#N 909ec8f165d6f3c2eee52ddc6540ae82 [0,2,0,0,0,0|1,0,1]=4 7443 B13R0.147 COC(=O)CCCNCCCCC=O 200615c05f71990c45fa17a08930bc99 [0,2,0,0,0,0|1,0,0]=3 7444 B13R0.147 COC(=O)CCCNCCCCCCl 92b8d42bde55596360295292791b0a4d [0,2,0,0,0,0|1,0,1]=4 7445 B13R0.147 COC(=O)CCCNCCCCCF 2d5b3184337ad247a84aee3c902672be [0,2,0,0,0,0|1,0,1]=4 7446 B13R0.147 COC(=O)CCCNCCCCCO 250a1cda49a64bd3576c13f04d140e31 [0,2,0,0,0,0|1,0,1]=4 7447 B13R0.147 COC(=O)CCCNCCCCON b0157f72b8284d2ec9f560d62be1e6ec [0,2,0,0,0,0|2,0,0]=4 7448 B13R0.147 COC(=O)CCCNCCCCSC 063db6ac72a5450fa4470c27b3f3db87 [0,2,0,0,0,0|1,0,1]=4 7449 B13R0.147 COC(=O)CCCNCCOCC=O e64f8119b2d949dc997681d4c6f6672e [0,2,0,0,0,0|2,0,0]=4 7450 B13R0.147 COC(=O)CCCOCCCCC#N 32749bd1730ef27c0e2391bf0e2dc710 [0,2,0,0,0,0|1,0,1]=4 7451 B13R0.147 COC(=O)CCCOCCCCC=O 55441a217abecb29b2ea4443dc737711 [0,2,0,0,0,0|1,0,0]=3 7452 B13R0.147 COC(=O)CCCOCCCCSC 8d53c4e579ab51d40a3241cd62f85732 [0,2,0,0,0,0|1,0,1]=4 7453 B13R0.147 COC(=O)CCCOCCOCC=O d277722ee898c0e654aa5bf9d8d8948c [0,2,0,0,0,0|2,0,0]=4 7454 B13R0.147 COC(=O)CCNCCCCCC#N f999fdbbf6f051d3973015739f04cbd9 [0,2,0,0,0,0|1,0,1]=4 7455 B13R0.147 COC(=O)CCNCCCCCC=O 25a81780d53f56b8a722dde3e6756f86 [0,2,0,0,0,0|1,0,0]=3 7456 B13R0.147 COC(=O)CCNCCCCCCCl 280b6b0216e78004bb536809897815e6 [0,2,0,0,0,0|1,0,1]=4 7457 B13R0.147 COC(=O)CCNCCCCCCF 1e479df305ecd71d1b4354ac4c774e2c [0,2,0,0,0,0|1,0,1]=4 7458 B13R0.147 COC(=O)CCNCCCCCCO 878f7a49b19a5764826e990aa73b971b [0,2,0,0,0,0|1,0,1]=4 7459 B13R0.147 COC(=O)CCOCCCCCC#N 8e99521053b6ab8285ca204d35fadcce [0,2,0,0,0,0|1,0,1]=4 7460 B13R0.147 COC(=O)CCOCCCCCC=O 0f4dbd4accb97db51cd6bc911f60a3cd [0,2,0,0,0,0|1,0,0]=3 7461 B13R0.147 COC(=O)CCOCCCCCCF b81e59a8c5bb1df36a633e82402d2859 [0,2,0,0,0,0|1,0,1]=4 7462 B13R0.147 COC(=O)CCOCCCCCCS 3e63a97fea5fda8477468610df11c71a [0,2,0,0,0,0|1,0,1]=4 7463 B13R0.147 COC(=O)CCOCCCOCC=O f88f90df5c8a9f5854c4b8fa80ea6e72 [0,2,0,0,0,0|2,0,0]=4 7464 B13R0.147 COC(=O)CCOCCOC/C=C/Cl cacdb1dda669551722fe82e7ddd3be81 [0,2,0,0,0,0|2,0,0]=4 7465 B13R0.147 COC(=O)CCOCCOC/C=C\Cl b040f734253392a9a2be1ece502a759f [0,2,0,0,0,0|2,0,0]=4 7466 B13R0.147 COC(=O)CCOCCOCCC=O d8bf5976b6cd0b6d5a488a0260bf75b7 [0,2,0,0,0,0|2,0,0]=4 7467 B13R0.147 COC(=O)CNCCCCCCC#N cf6d0b40970040c9e5ccfc22a3053e1a [0,2,0,0,0,0|1,0,1]=4 7468 B13R0.147 COC(=O)CNCCCCCCC=O 9bfa2e585df5f27598d213af25067690 [0,2,0,0,0,0|1,0,0]=3 7469 B13R0.147 COC(=O)CNCCCCCCCO a5725d89c9913041ef4969e7d64532c8 [0,2,0,0,0,0|1,0,1]=4 7470 B13R0.147 COC(=O)COCCCCCCC#N be1d4edff018911ff86eb9dfabc594b3 [0,2,0,0,0,0|1,0,1]=4 7471 B13R0.147 COC(=O)COCCCCCCC=O fbbb7ea68f1342c000efa48dfcf7cc7f [0,2,0,0,0,0|1,0,0]=3 7472 B13R0.147 COC(=O)COCCCOC/C=C/Cl b6fba2f0a5a13deea17a604389bcb925 [0,2,0,0,0,0|2,0,0]=4 7473 B13R0.147 COC(=O)COCCCOC/C=C\Cl 9638ad0a7faa6265a28523e182353a20 [0,2,0,0,0,0|2,0,0]=4 7474 B13R0.147 COC(=O)COCCCOCC=CCl d0db67b0db704db45d27a7a4f8ba457d [0,2,0,0,0,0|2,0,0]=4 7475 B13R0.147 COC(=O)COCCCOCCC=O ada8aa17573233a9a55ee270ec4c2559 [0,2,0,0,0,0|2,0,0]=4 7476 B13R0.147 COC(=O)COCCOCCCC=O 28921af2f4bdd615ed7c9a4fa3644712 [0,2,0,0,0,0|2,0,0]=4 7477 B13R0.147 COC(=O)CSCCCOC/C=C/Cl 2ee3c4c31993643dcd3a5ca49c98f547 [0,2,0,0,0,0|2,0,0]=4 7478 B13R0.147 COC(=O)CSCCCOCC=CCl 477c05ddf114249c73e23a39b4595928 [0,2,0,0,0,0|2,0,0]=4 7479 B13R0.147 COC(=O)CSCCCOCCC=O db76d6547d1347bd8902bbbbfc6f24d6 [0,2,0,0,0,0|2,0,0]=4 7480 B13R0.147 COC(=O)OCCOCCCCC=O 9d92a4fcf769f6230b6135103316d52c [0,2,0,0,0,0|2,0,0]=4 7481 B13R0.147 COCCCCCCNCC(=O)NO 00e16fe7c0700fb7e2d7920bbea83399 [0,2,0,0,0,0|1,0,1]=4 7482 B13R0.147 COCCCCCCNCC(=O)OC 34e4487486ecc30918ee88041384d091 [0,2,0,0,0,0|1,0,1]=4 7483 B13R0.147 COCCCCCCOCC(=O)OC b2838f12f25082f21060caf4064646cc [0,2,0,0,0,0|1,0,1]=4 7484 B13R0.147 COCCCCCNCCC(=O)NO b251846ed15f237aecd8eb7555759de7 [0,2,0,0,0,0|1,0,1]=4 7485 B13R0.147 COCCCCCNCCC(=O)OC 8a32fc7790de00ac7616d4061abd3ed6 [0,2,0,0,0,0|1,0,1]=4 7486 B13R0.147 COCCCCCOCCC(=O)OC 3b4e45d866e3d3f9e61ed6fe54dbd3a2 [0,2,0,0,0,0|1,0,1]=4 7487 B13R0.147 COCCCCNCCCC(=O)OC ca3daeaa93448d38fd958af1c10489f6 [0,2,0,0,0,0|1,0,1]=4 7488 B13R0.147 COCCCCOCCCC(=O)OC 472f460c33f2a9399143721ad4c3566b [0,2,0,0,0,0|1,0,1]=4 7489 B13R0.147 COCCCNCCCCC(=O)OC 8e5d48acf4635d34fb343ddd451735f3 [0,2,0,0,0,0|1,0,1]=4 7490 B13R0.147 COCCCOCCCCC(=O)OC 06072ba6e249e9354b3c2eb4b661ad27 [0,2,0,0,0,0|1,0,1]=4 7491 B13R0.147 COCCNCCCCCC(=O)OC 5bd0f9d2840cb6d3af7a16845b100640 [0,2,0,0,0,0|1,0,1]=4 7492 B13R0.147 COCCOCCCCCC(=O)OC 0c515bd5689aa9ed5cff4a9039ede81f [0,2,0,0,0,0|1,0,1]=4 7493 B13R0.147 COCNCCCCCCC(=O)OC 4cf74e039fcb8b492b9da5f27a851827 [0,2,0,0,0,0|1,0,1]=4 7494 B13R0.147 COCOCCCCCCC(=O)OC 2df60893279da50dc1b65e1a65700094 [0,2,0,0,0,0|1,0,1]=4 7495 B13R0.147 N#CCCCCCCNCC(=O)NO 6f003b727dbd97e63ba28a91f2c87107 [0,2,0,0,0,0|1,0,1]=4 7496 B13R0.147 N#CCCCCCNCCC(=O)NO 55effa81dc6a5dd068dca4758a3b11fc [0,2,0,0,0,0|1,0,1]=4 7497 B13R0.147 O=C(CCNCCCCCCF)NO fcbc1db2c5431859a59fd8914ec0ea5c [0,2,0,0,0,0|1,0,1]=4 7498 B13R0.147 O=C(CCNCCCCCCO)NO 3b334a2f7094e54fa29edba8a6d4b94f [0,2,0,0,0,0|1,0,1]=4 7499 B13R0.147 O=C(CNCCCCCCCO)NO afde9d634e55033e963f5a41ffc25713 [0,2,0,0,0,0|1,0,1]=4 7500 B13R0.147 O=C(CO)CNCCCCCCCO b350551a35f2aa2bf9c23fd666ba0360 [0,2,0,0,0,0|1,0,1]=4 7501 B13R0.147 O=C(CO)NCCCCCCCCO 2d309250f02fc65fc3c53cab9f0e56d5 [0,2,0,0,0,0|1,0,1]=4 7502 B13R0.147 O=CCCCCCCNCC(=O)NO 7ba5aef95810ff9266c42620115f3cf0 [0,2,0,0,0,0|1,0,0]=3 7503 B13R0.147 O=CCCCCCNCCC(=O)NO 3149dcbc5d9e515c3dad960c1740c3ff [0,2,0,0,0,0|1,0,0]=3 7504 B13R0.150 C#CCCCCCCNC(C)C(=O)O d7bb237e7dd1e211924739332c37e3b1 [0,2,0,0,0,0|0,0,2]=4 7505 B13R0.150 C#CCCCCCCNC(O)C(=O)O 5139e4633f487a7cd6d1a134eca0e4a9 [0,2,0,0,0,0|0,0,2]=4 7506 B13R0.150 C#CCCCCCCN[C@@H](C)C(=O)O d31b97f3fef51c8b4e550d426c795fc8 [0,2,0,0,0,0|0,0,2]=4 7507 B13R0.150 C#CCCCCCCN[C@H](C)C(=O)O 6a637d798f56a27035c2535162a9c35f [0,2,0,0,0,0|0,0,2]=4 7508 B13R0.150 C#CCCCCCCOC(C)C(=O)O fdc2ef28a0e73732704917f842ff0ebc [0,2,0,0,0,0|0,0,2]=4 7509 B13R0.150 C#CCCCCCCO[C@@H](C)C(=O)O 8531703e1091534966126f50f1734ba7 [0,2,0,0,0,0|0,0,2]=4 7510 B13R0.150 C#CCCCCCCO[C@H](C)C(=O)O ab968f7b549daefdd5bde4422f43c41b [0,2,0,0,0,0|0,0,2]=4 7511 B13R0.150 C#CCCCCCNCC(C)C(=O)O 0058993a40bf3833e85b9dc45c7d9a0e [0,2,0,0,0,0|0,0,2]=4 7512 B13R0.150 C#CCCCCCNCC(F)C(=O)O f6cf8fd014ea6d7165072f0d900470f7 [0,2,0,0,0,0|0,0,2]=4 7513 B13R0.150 C#CCCCCCNCC(O)C(=O)O 3fb10571425312bac4349f27e08708de [0,2,0,0,0,0|0,0,2]=4 7514 B13R0.150 C#CCCCCCNC[C@@H](C)C(=O)O c212c642cd1b0f7cc578f6aafdf46b4f [0,2,0,0,0,0|0,0,2]=4 7515 B13R0.150 C#CCCCCCNC[C@@H](O)C(=O)O cfb2e10dd94e7c85fab17ddd42ab3592 [0,2,0,0,0,0|0,0,2]=4 7516 B13R0.150 C#CCCCCCNC[C@H](C)C(=O)O c91b03ba725690b149c8d86fdb3a4975 [0,2,0,0,0,0|0,0,2]=4 7517 B13R0.150 C#CCCCCCNC[C@H](O)C(=O)O 0604697eb71ee1fe0acdf957aa9c6f52 [0,2,0,0,0,0|0,0,2]=4 7518 B13R0.150 C#CCCCCCOCC(C)C(=O)O e1f8248d9d25e0eee794fc24d0007306 [0,2,0,0,0,0|0,0,2]=4 7519 B13R0.150 C#CCCCCCOC[C@@H](C)C(=O)O 102b49e336041d2b2b8ab2eed6233642 [0,2,0,0,0,0|0,0,2]=4 7520 B13R0.150 C#CCCCCCOC[C@H](C)C(=O)O 7eded363eb150882939fb2135392e729 [0,2,0,0,0,0|0,0,2]=4 7521 B13R0.150 C#CCCCCNCCC(F)C(=O)O b6683535c5034dfb7a1764deb98d896f [0,2,0,0,0,0|0,0,2]=4 7522 B13R0.150 C#CCCCCNCCC(O)C(=O)O 8050a8dda6c88e322918c574d0695a95 [0,2,0,0,0,0|0,0,2]=4 7523 B13R0.150 C#CCCCCNCC[C@H](O)C(=O)O c80066e56c1978798489c577f9340f3a [0,2,0,0,0,0|0,0,2]=4 7524 B13R0.150 C#CCCCNCCCC(C)C(=O)O 2a0169b3a4f8b59aa58d81a6963052ec [0,2,0,0,0,0|0,0,2]=4 7525 B13R0.150 C#CCCCOCCCC(C)C(=O)O 9a1499b41c98c20b419830b73f6442e1 [0,2,0,0,0,0|0,0,2]=4 7526 B13R0.150 C/C=C/CCCOCCC(C)C(=O)C 78da08497902e1bb1f9f11f99a6fc253 [0,2,0,0,0,0|2,0,0]=4 7527 B13R0.150 C/C=C/CCOCCCC(C)C(=O)O 9fc26349c61df3c8afa9c32b086ccbdb [0,2,0,0,0,0|1,0,0]=3 7528 B13R0.150 C/C=C/CNCCSCC(C)C(=O)O 182c2bb7e4ed158c2a498646b04855db [0,2,0,0,0,0|2,0,0]=4 7529 B13R0.150 C/C=C\CCCNCCC(F)C(=O)O 85767e57c7711e4a334bfea6aae7ed9d [0,2,0,0,0,0|1,0,0]=3 7530 B13R0.150 C/C=C\CCCNCCC(O)C(=O)O c155bf7933dc5d66662b7eaa000e1412 [0,2,0,0,0,0|1,0,0]=3 7531 B13R0.150 C/C=C\CCCNCC[C@H](O)C(=O)O 07f42eae77cf9542ebec2123f2f7e464 [0,2,0,0,0,0|1,0,0]=3 7532 B13R0.150 C/C=C\CCCOCCC(C)C(=O)C 01b92a91142339258f4eba82879d4dd7 [0,2,0,0,0,0|2,0,0]=4 7533 B13R0.150 C/C=C\CNCCSCC(C)C(=O)O aa03a93d3bafff645674cdf8a42ae4b6 [0,2,0,0,0,0|2,0,0]=4 7534 B13R0.150 C=C(COCCCCCC=O)C(=O)O 3f6ee193c781014ec675d830c5487ff7 [0,2,0,0,0,0|1,0,1]=4 7535 B13R0.150 C=C=CCCOCCCC(C)C(=O)O cff4445756f11e82e9e059957d3fbad6 [0,2,0,0,0,0|1,0,0]=3 7536 B13R0.150 C=CCC#CCCOCC(C)C(=O)O c76d56963dd56e9edf4b35c11cf85381 [0,2,0,0,0,0|0,0,2]=4 7537 B13R0.150 C=CCCCCCCNC(C)C(=O)N fedbca0376df9bb199e76574ee51c52c [0,2,0,0,0,0|1,0,0]=3 7538 B13R0.150 C=CCCCCCCNC(C)C(=O)O 93c7c59c644192ab236623c9c5590be7 [0,2,0,0,0,0|0,0,0]=2 7539 B13R0.150 C=CCCCCCCNC(C)C(C)O 7e2073068946b9d4454dc5203960e60d [0,2,0,0,0,0|1,0,1]=4 7540 B13R0.150 C=CCCCCCCNC(O)C(=O)O 9a96cdc3629b2a6b799e84c59ce47e0d [0,2,0,0,0,0|0,0,0]=2 7541 B13R0.150 C=CCCCCCCN[C@@H](C)C(=O)N 9dd79bb823ea65b60554f39e517c35e4 [0,2,0,0,0,0|1,0,0]=3 7542 B13R0.150 C=CCCCCCCN[C@@H](C)C(=O)O 8e52f72657076b7de54008bf81b0e347 [0,2,0,0,0,0|0,0,0]=2 7543 B13R0.150 C=CCCCCCCN[C@H](C)C(=O)N e732b1b3cefd8782a1642c46c7c82f8b [0,2,0,0,0,0|1,0,0]=3 7544 B13R0.150 C=CCCCCCCN[C@H](C)C(=O)O aeea84c1cc824dad79583df63d40fb92 [0,2,0,0,0,0|0,0,0]=2 7545 B13R0.150 C=CCCCCCCOC(C)C(=O)C a113b00dec35592624a0f350f2462b01 [0,2,0,0,0,0|1,0,0]=3 7546 B13R0.150 C=CCCCCCCOC(C)C(=O)N 374ae69993e347877fcd61a3f3272173 [0,2,0,0,0,0|1,0,0]=3 7547 B13R0.150 C=CCCCCCCOC(C)C(=O)O 30003252ef81c7106f8b7d4a288f0bb4 [0,2,0,0,0,0|0,0,0]=2 7548 B13R0.150 C=CCCCCCCOC(F)C(=O)N c1c43887e2404880b2eb382762e09c9f [0,2,0,0,0,0|1,0,0]=3 7549 B13R0.150 C=CCCCCCCOC(F)C(=O)O b6cc02224620ec08e4e6b631f5fde854 [0,2,0,0,0,0|0,0,0]=2 7550 B13R0.150 C=CCCCCCCO[C@@H](C)C(=O)N c1e0d13f3f6f191c91c0b74150807ea4 [0,2,0,0,0,0|1,0,0]=3 7551 B13R0.150 C=CCCCCCCO[C@@H](C)C(=O)O 35151f181cdd41b076acfcd28313294b [0,2,0,0,0,0|0,0,0]=2 7552 B13R0.150 C=CCCCCCCO[C@@H](F)C(=O)O b45b95ad7f0ad84400c0150596d5d837 [0,2,0,0,0,0|0,0,0]=2 7553 B13R0.150 C=CCCCCCCO[C@H](C)C(=O)N 4b06b6d6a58f994741a381c0548ec897 [0,2,0,0,0,0|1,0,0]=3 7554 B13R0.150 C=CCCCCCCO[C@H](C)C(=O)O 2e0b39e08b17349d425434a2c2da97d6 [0,2,0,0,0,0|0,0,0]=2 7555 B13R0.150 C=CCCCCCNCC(=C)C(=O)O b1bb2659ceb7a44044ef52dd481cc935 [0,2,0,0,0,0|0,0,1]=3 7556 B13R0.150 C=CCCCCCNCC(=O)C(=O)C 2eba201febfc28b30b57925f23177adb [0,2,0,0,0,0|1,0,1]=4 7557 B13R0.150 C=CCCCCCNCC(=O)C(=O)O eeb8c952848f812eacc3467e203baa5f [0,2,0,0,0,0|0,0,1]=3 7558 B13R0.150 C=CCCCCCNCC(=O)C(C)C 2cf9be8f156ed769e63122b0229f1866 [0,2,0,0,0,0|2,0,0]=4 7559 B13R0.150 C=CCCCCCNCC(=O)C(F)F f9f151d6469cba76223537884620a170 [0,2,0,0,0,0|2,0,0]=4 7560 B13R0.150 C=CCCCCCNCC(=O)N(C)C 63dfc482f078225f604ba6a49ca1feea [0,2,0,0,0,0|2,0,0]=4 7561 B13R0.150 C=CCCCCCNCC(C)C(=O)O 9441d46a15c2bec699abd0cf290da249 [0,2,0,0,0,0|0,0,0]=2 7562 B13R0.150 C=CCCCCCNCC(F)C(=O)O 19a52492f1eba7181f3b32f15b5dc16b [0,2,0,0,0,0|0,0,0]=2 7563 B13R0.150 C=CCCCCCNCC(O)C(=O)O 4d44dfe1b751fe4796bea1e688f9322a [0,2,0,0,0,0|0,0,0]=2 7564 B13R0.150 C=CCCCCCNC[C@@H](C)C(=C)I 6c378b920706d8c1246d555b85ed65da [0,2,0,0,0,0|2,0,0]=4 7565 B13R0.150 C=CCCCCCNC[C@@H](C)C(=O)O 33ef1ac436cd1ff01596f6081c9367fe [0,2,0,0,0,0|0,0,0]=2 7566 B13R0.150 C=CCCCCCNC[C@@H](O)C(=O)O 02db5d865ea4e65ad72ea70eecf582b1 [0,2,0,0,0,0|0,0,0]=2 7567 B13R0.150 C=CCCCCCNC[C@H](C)C(=O)O 6a4b86ed2be81998f375419b13a2fd08 [0,2,0,0,0,0|0,0,0]=2 7568 B13R0.150 C=CCCCCCNC[C@H](O)C(=O)O d6c8981e0421d39f174444ca89d460ff [0,2,0,0,0,0|0,0,0]=2 7569 B13R0.150 C=CCCCCCOCC(=C)C(=O)O daeed44c5e76f4336feb7a846edfa9e9 [0,2,0,0,0,0|0,0,1]=3 7570 B13R0.150 C=CCCCCCOCC(=O)C(=O)C 2e7883b9f0ca3483a795719e819e721b [0,2,0,0,0,0|1,0,1]=4 7571 B13R0.150 C=CCCCCCOCC(=O)C(=O)O 12a9c72ac2f853faad0d2d3d33036a60 [0,2,0,0,0,0|0,0,1]=3 7572 B13R0.150 C=CCCCCCOCC(=O)C(C)C 502e5ae6f15214780eb8164dd65d715a [0,2,0,0,0,0|2,0,0]=4 7573 B13R0.150 C=CCCCCCOCC(=O)C(F)F a071f35fafc796b87e2c92c7b1b4536c [0,2,0,0,0,0|2,0,0]=4 7574 B13R0.150 C=CCCCCCOCC(=O)N(C)C 68c9ed74e9c50332f4a62384f07be67e [0,2,0,0,0,0|2,0,0]=4 7575 B13R0.150 C=CCCCCCOCC(C)C(=O)C 752899b85f0a9db61722efdf6d45b113 [0,2,0,0,0,0|1,0,0]=3 7576 B13R0.150 C=CCCCCCOCC(C)C(=O)O 7f686e02307ee8eee250298e6d1df3dd [0,2,0,0,0,0|0,0,0]=2 7577 B13R0.150 C=CCCCCCOCC(C)[N+](=O)[O-] d99ea50980a8795d213e5a16f42980cb [0,2,0,0,0,0|1,0,1]=4 7578 B13R0.150 C=CCCCCCOC[C@@H](C)C(=C)I 79b752b50086ee2995d0b3ef28b7d707 [0,2,0,0,0,0|2,0,0]=4 7579 B13R0.150 C=CCCCCCOC[C@@H](C)C(=O)O 6b57cfb326ce068b90ea10dc3fec9baf [0,2,0,0,0,0|0,0,0]=2 7580 B13R0.150 C=CCCCCCOC[C@H](C)C(=O)O af3f5f88025b85ec6db9306c46cb1c81 [0,2,0,0,0,0|0,0,0]=2 7581 B13R0.150 C=CCCCCNCCC(=O)N(C)C 0e97f339d3913b7d7ec81ddab35e565f [0,2,0,0,0,0|2,0,0]=4 7582 B13R0.150 C=CCCCCNCCC(C)C(=O)C 32d45d9abb0dab8f4d98936b9f800351 [0,2,0,0,0,0|1,0,0]=3 7583 B13R0.150 C=CCCCCNCCC(F)C(=O)O 46435dfdd43d2096fa1e3a085a4b0435 [0,2,0,0,0,0|0,0,0]=2 7584 B13R0.150 C=CCCCCNCCC(O)C(=O)O e42faf9d949b49977bdc2293a6ce0886 [0,2,0,0,0,0|0,0,0]=2 7585 B13R0.150 C=CCCCCNCC[C@H](O)C(=O)O 3b1d9c9c42dfb36b73b397dc55e2b2dd [0,2,0,0,0,0|0,0,0]=2 7586 B13R0.150 C=CCCCCOCCC(=O)N(C)C f13c67cc3703db43f5a437f01c6f7fa4 [0,2,0,0,0,0|2,0,0]=4 7587 B13R0.150 C=CCCCCOCCC(C)C(=O)C 965dbcef9f2786bfd05a1fe19dcb2cac [0,2,0,0,0,0|1,0,0]=3 7588 B13R0.150 C=CCCCCOCCN(C)C(=O)C e574dd630f4fc29324dbc756b2923af7 [0,2,0,0,0,0|2,0,0]=4 7589 B13R0.150 C=CCCCNCCCC(=O)N(C)C 9d11f4057ec86c014acf56682ae0dea8 [0,2,0,0,0,0|2,0,0]=4 7590 B13R0.150 C=CCCCNCCCC(C)C(=O)O 9484944bf2e0a680402ac9852bc56fe9 [0,2,0,0,0,0|0,0,0]=2 7591 B13R0.150 C=CCCCOCCCC(=O)N(C)C e97621e8f7bb49cb8584eecd1a95266c [0,2,0,0,0,0|2,0,0]=4 7592 B13R0.150 C=CCCCOCCCC(C)C(=O)O b18f427ed70c8ef488e401ca445bce24 [0,2,0,0,0,0|0,0,0]=2 7593 B13R0.150 C=CCCNCCCCC(=O)N(C)C c440e709eb08f94a410947c6edadf4be [0,2,0,0,0,0|2,0,0]=4 7594 B13R0.150 C=CCCNCCSCC(C)C(=O)O c0de5d7408c5ef2d9d3dfc1ad7ce04dd [0,2,0,0,0,0|1,0,0]=3 7595 B13R0.150 C=CCCOCCCCC(=O)N(C)C 921ed93751ef8351666a9f4524f647f2 [0,2,0,0,0,0|2,0,0]=4 7596 B13R0.150 C=CCOCCNCCC(F)C(=O)O b4f5c5927c0da8a4b02dab0842afd451 [0,2,0,0,0,0|1,0,0]=3 7597 B13R0.150 C=CCOCCNCCC(O)C(=O)O acef9e5287acd4bd3db73702b2f545b3 [0,2,0,0,0,0|1,0,0]=3 7598 B13R0.150 C=CCOCCNCC[C@H](O)C(=O)O a98d588bdd694144debbd1cdb0abe357 [0,2,0,0,0,0|1,0,0]=3 7599 B13R0.150 C=CCOCCOCCC(C)C(=O)C a1bca05c5c8c7cc046e10978ccb2fe6e [0,2,0,0,0,0|2,0,0]=4 7600 B13R0.150 C=COCCCCOCC(=C)C(=O)O 91054def87dafa6e4dc521e1b68ac2fc [0,2,0,0,0,0|1,0,1]=4 7601 B13R0.150 C=COCCCCOCC(=O)C(=O)O d85996480dd0f260505748c353977659 [0,2,0,0,0,0|1,0,1]=4 7602 B13R0.150 C=COCCCCOCC(C)C(=O)O befa738ec80f5a48234f55e0a6a3ac44 [0,2,0,0,0,0|1,0,0]=3 7603 B13R0.150 C=COCCNCCCC(C)C(=O)O cff5ddd412a4846b7f8876cada811cca [0,2,0,0,0,0|1,0,0]=3 7604 B13R0.150 C=COCCOCCCC(C)C(=O)O 920ce11bddf925c0a7c4321762e41d48 [0,2,0,0,0,0|1,0,0]=3 7605 B13R0.150 C=COCCOCCOC(C)C(=O)O e38099415aaaa5f4337d25030ebf4b17 [0,2,0,0,0,0|2,0,0]=4 7606 B13R0.150 C=COCCOCCOC(F)C(=O)O a5e85b0a01676ca4c90a201d63f06a8f [0,2,0,0,0,0|2,0,0]=4 7607 B13R0.150 C=COCCOCCO[C@@H](C)C(=O)O 257990555db988e6cb60a16b5d553166 [0,2,0,0,0,0|2,0,0]=4 7608 B13R0.150 C=COCCOCCO[C@@H](F)C(=O)O aed31c814cd6bc0c2e8b2c70c3daaf10 [0,2,0,0,0,0|2,0,0]=4 7609 B13R0.150 C=COCCOCCO[C@H](C)C(=O)O af9d0b39e1850c99035577b7b23a1e14 [0,2,0,0,0,0|2,0,0]=4 7610 B13R0.150 CC(=O)C(C)CCOCCCCC=O 0a10a1e8ebe64d142f702741518c8e76 [0,2,0,0,0,0|2,0,0]=4 7611 B13R0.150 CC(=O)C(C)COCCCCCC=O d24569fd6d1c2a3aa08aef70df2c9ab6 [0,2,0,0,0,0|2,0,0]=4 7612 B13R0.150 CC(=O)C(C)OCCCCCCC=O 3a57eec059b6c267b9a15c862782a105 [0,2,0,0,0,0|2,0,0]=4 7613 B13R0.150 CC(CCCNCCCC#N)C(=O)O 47572f2135549d8ddd1fd6ee8e5cf0fa [0,2,0,0,0,0|1,0,1]=4 7614 B13R0.150 CC(CCCNCCCCCl)C(=O)O ef4c968bd84a96a47f68e39b6b5a99ed [0,2,0,0,0,0|1,0,1]=4 7615 B13R0.150 CC(CCCNCCCCO)C(=O)O d2831c0515a7b3826d00b415c4a2b67e [0,2,0,0,0,0|1,0,1]=4 7616 B13R0.150 CC(CCCNCCCCS)C(=O)O eea6d655ac550d16dec78e53f3e01b14 [0,2,0,0,0,0|1,0,1]=4 7617 B13R0.150 CC(CCCOC/C=C/C=O)C(=O)O 2176ddb94ffe4feb10e8afd07b0ab22a [0,2,0,0,0,0|1,0,1]=4 7618 B13R0.150 CC(CCCOCCCC#N)C(=O)O 29adb5db03189cc8b2e082e7c934d0ef [0,2,0,0,0,0|1,0,1]=4 7619 B13R0.150 CC(CCCOCCCC=O)C(=O)O c5a670453cadca87409b200e52aa5f44 [0,2,0,0,0,0|1,0,0]=3 7620 B13R0.150 CC(CCCOCCCCF)C(=O)O cb25041974d5ad8e4475cd5e47944eed [0,2,0,0,0,0|1,0,1]=4 7621 B13R0.150 CC(CCCOCCCCS)C(=O)O d190c1636241533a6b129cb55798efb1 [0,2,0,0,0,0|1,0,1]=4 7622 B13R0.150 CC(CCCOCCNC=O)C(=O)O 2da7459c5a90d9eea1a0cdc9371ae7aa [0,2,0,0,0,0|2,0,0]=4 7623 B13R0.150 CC(CCCOCCOC=O)C(=O)O ef7aee118a9bbbd7aba56d6c15037e5c [0,2,0,0,0,0|2,0,0]=4 7624 B13R0.150 CC(CNCCCCCC#N)C(=O)O 788c464e0be9ab639134f5a71dca44d4 [0,2,0,0,0,0|1,0,1]=4 7625 B13R0.150 CC(CNCCCCCC=O)C(=O)O 8adf204037346236adc5a1b7a1ea0112 [0,2,0,0,0,0|1,0,0]=3 7626 B13R0.150 CC(CNCCCCCCCl)C(=O)O 99ff17a72f69dba6090ba1ef79063cdb [0,2,0,0,0,0|1,0,1]=4 7627 B13R0.150 CC(CNCCCCCCF)C(=O)O f9151c5ed56155d5220ad7987fe2258d [0,2,0,0,0,0|1,0,1]=4 7628 B13R0.150 CC(CNCCCCCCO)C(=O)O 704b913840e868c21e4f31f7c73363bd [0,2,0,0,0,0|1,0,1]=4 7629 B13R0.150 CC(COCCCCCC#N)C(=O)O 04f9bf73be63448ec7887f44d1bbdfc6 [0,2,0,0,0,0|1,0,1]=4 7630 B13R0.150 CC(COCCCCCC=O)C(=O)O c64cd5c1a77a100789205da352c8457a [0,2,0,0,0,0|1,0,0]=3 7631 B13R0.150 CC(COCCCCCCF)C(=O)O 2d5e0f0e990e83907d7a156216e210e6 [0,2,0,0,0,0|1,0,1]=4 7632 B13R0.150 CC(COCCCCCCS)C(=O)O 3349025727b2ebe146bd6dc85fcdd342 [0,2,0,0,0,0|1,0,1]=4 7633 B13R0.150 CC(CSCCNC/C=C/Cl)C(=O)O 13bc22dc010b763ca2305df7f25a65e7 [0,2,0,0,0,0|2,0,0]=4 7634 B13R0.150 CC(CSCCNC/C=C\Cl)C(=O)O 78b9325d11f82529ea13f103015e67da [0,2,0,0,0,0|2,0,0]=4 7635 B13R0.150 CC(CSCCNC/C=C\O)C(=O)O 007747b031120b95a9249485c99d6461 [0,2,0,0,0,0|2,0,0]=4 7636 B13R0.150 CC(CSCCNCCC=O)C(=O)O 8273fb28c365e1047898458921273e56 [0,2,0,0,0,0|2,0,0]=4 7637 B13R0.150 CC(NCCCCCCC#N)C(=O)O c868ea7cd9331e96fbebc46482b76e43 [0,2,0,0,0,0|1,0,1]=4 7638 B13R0.150 CC(NCCCCCCC=O)C(=O)N a5be149b5cee016a1219701e90dd3cd3 [0,2,0,0,0,0|2,0,0]=4 7639 B13R0.150 CC(NCCCCCCC=O)C(=O)O 129f376af8d745657d0ed3289edacf37 [0,2,0,0,0,0|1,0,0]=3 7640 B13R0.150 CC(NCCCCCCCO)C(=O)O cd67b3bdd9b465604db20b8b96861895 [0,2,0,0,0,0|1,0,1]=4 7641 B13R0.150 CC(OCCCCCCC#N)C(=O)O a2372a9c2150b1efa2c5095e74ce316e [0,2,0,0,0,0|1,0,1]=4 7642 B13R0.150 CC(OCCCCCCC=O)C(=O)N 803d0e97cdeffd469394885963e9eb6c [0,2,0,0,0,0|2,0,0]=4 7643 B13R0.150 CC(OCCCCCCC=O)C(=O)O 5c60dc501193bb20f56d009e574dadb6 [0,2,0,0,0,0|1,0,0]=3 7644 B13R0.150 CC=CCCCOCCC(C)C(=O)C 00268a22fb4b0961664a8e6a75252943 [0,2,0,0,0,0|2,0,0]=4 7645 B13R0.150 CCCCCCCCNC(C)C(=O)O d6f8c027e017a35ea863c40c5d5e872c [0,2,0,0,0,0|0,0,2]=4 7646 B13R0.150 CCCCCCCCNC(O)C(=O)O e546ba7c5e506f16bd015ac0879efd87 [0,2,0,0,0,0|0,0,2]=4 7647 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 11e9c5e9510985757cd7889be10666e1 [0,2,0,0,0,0|0,0,2]=4 7648 B13R0.150 CCCCCCCCN[C@H](C)C(=O)O 1a584b7f3d283b1272f089a9e087d74c [0,2,0,0,0,0|0,0,2]=4 7649 B13R0.150 CCCCCCCCOC(C)C(=O)O a716d333fb0c41371267c962cbd1e272 [0,2,0,0,0,0|0,0,2]=4 7650 B13R0.150 CCCCCCCCOC(F)C(=O)O ac3e41ebc8f39d3691b31a06758489ae [0,2,0,0,0,0|0,0,2]=4 7651 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)O 9b78cd33b9e14c788888377db6793d99 [0,2,0,0,0,0|0,0,2]=4 7652 B13R0.150 CCCCCCCCO[C@@H](F)C(=O)O 42464b0788ea66d7d3ff94e507967e5e [0,2,0,0,0,0|0,0,2]=4 7653 B13R0.150 CCCCCCCCO[C@H](C)C(=O)O 3e6aed0c549b4e4b0ed51f9f9d86fe45 [0,2,0,0,0,0|0,0,2]=4 7654 B13R0.150 CCCCCCCNCC(C)C(=O)O 8fae718df4f726dec88ceff796d9e3f2 [0,2,0,0,0,0|0,0,2]=4 7655 B13R0.150 CCCCCCCNCC(F)C(=O)O cb164482781e5eaee0bf7a307b0b488f [0,2,0,0,0,0|0,0,2]=4 7656 B13R0.150 CCCCCCCNCC(O)C(=O)O 292bb8647835e1f860f4cb5d50d8f66f [0,2,0,0,0,0|0,0,2]=4 7657 B13R0.150 CCCCCCCNC[C@@H](C)C(=O)O caf085d52da9e90d96a4bce72dd420c3 [0,2,0,0,0,0|0,0,2]=4 7658 B13R0.150 CCCCCCCNC[C@@H](O)C(=O)O 3111ea96af3c7259c2c3091e1aa2fa02 [0,2,0,0,0,0|0,0,2]=4 7659 B13R0.150 CCCCCCCNC[C@H](C)C(=O)O 07ee835fc48175fd2eb4608811fc5a6c [0,2,0,0,0,0|0,0,2]=4 7660 B13R0.150 CCCCCCCNC[C@H](O)C(=O)O b475f6f9855425df956a3f3e3ea1ce80 [0,2,0,0,0,0|0,0,2]=4 7661 B13R0.150 CCCCCCCOCC(C)C(=O)O 63fc77a9f95e574aeaf922188d62d9f3 [0,2,0,0,0,0|0,0,2]=4 7662 B13R0.150 CCCCCCCOC[C@@H](C)C(=O)O 99f3bb8c28e5646c045c65e0194a920b [0,2,0,0,0,0|0,0,2]=4 7663 B13R0.150 CCCCCCCOC[C@H](C)C(=O)O b6cdd13af5729a0209f9601268c3f1cb [0,2,0,0,0,0|0,0,2]=4 7664 B13R0.150 CCCCCCNCCC(F)C(=O)O f55a1e4c0034f19c1e0afc74baac971f [0,2,0,0,0,0|0,0,2]=4 7665 B13R0.150 CCCCCCNCCC(O)C(=O)O f191f5a2f362f13d4ab7448ee969fba1 [0,2,0,0,0,0|0,0,2]=4 7666 B13R0.150 CCCCCCNCC[C@H](O)C(=O)O ffd07623f824e77dd96930c0f6d57bec [0,2,0,0,0,0|0,0,2]=4 7667 B13R0.150 CCCCCNCCCC(C)C(=O)O 688463c2404f39b11301b956735ec733 [0,2,0,0,0,0|0,0,2]=4 7668 B13R0.150 CCCCCOCCCC(C)C(=O)O eee1f42447d71872ede78795a01692d0 [0,2,0,0,0,0|0,0,2]=4 7669 B13R0.150 COCCCCCCNC(C)C(=O)O a18eab3b74be6d1788b609a6b3bdeee0 [0,2,0,0,0,0|1,0,1]=4 7670 B13R0.150 COCCCCCCNC(O)C(=O)O 8b79adebe99e24f6f0116f05a31023ed [0,2,0,0,0,0|1,0,1]=4 7671 B13R0.150 COCCCCCCN[C@@H](C)C(=O)O 271893d1741e5305aa84b2a1b7d906cf [0,2,0,0,0,0|1,0,1]=4 7672 B13R0.150 COCCCCCCN[C@H](C)C(=O)O 1e9e1aa7d73b2829047bbad9601f6668 [0,2,0,0,0,0|1,0,1]=4 7673 B13R0.150 COCCCCCCOC(C)C(=O)O 11ffba4f0403134e09bdae1088d0f9b4 [0,2,0,0,0,0|1,0,1]=4 7674 B13R0.150 COCCCCCCO[C@@H](C)C(=O)O d48e4afbca6c0595c8562f4c165cb99f [0,2,0,0,0,0|1,0,1]=4 7675 B13R0.150 COCCCCCCO[C@H](C)C(=O)O 27be50c81349571ee5f841ed815bc81e [0,2,0,0,0,0|1,0,1]=4 7676 B13R0.150 COCCCCCNCC(C)C(=O)O 39babc9f573719f91674e83f7c6c3c97 [0,2,0,0,0,0|1,0,1]=4 7677 B13R0.150 COCCCCCNCC(F)C(=O)O e0f0f4b6e14bdcbbe37e35730d3c93e2 [0,2,0,0,0,0|1,0,1]=4 7678 B13R0.150 COCCCCCNCC(O)C(=O)O af82459fb6982cc39748a20b7cadb34e [0,2,0,0,0,0|1,0,1]=4 7679 B13R0.150 COCCCCCNC[C@@H](C)C(=O)O 9a878670967f4705ba28e4facdc590a2 [0,2,0,0,0,0|1,0,1]=4 7680 B13R0.150 COCCCCCNC[C@@H](O)C(=O)O 939e9a4f26f42f9c10b6e8a994ccf7ba [0,2,0,0,0,0|1,0,1]=4 7681 B13R0.150 COCCCCCNC[C@H](C)C(=O)O 58f88e5d6b1da309c713143ecf45c497 [0,2,0,0,0,0|1,0,1]=4 7682 B13R0.150 COCCCCCNC[C@H](O)C(=O)O 6d584e02ac8cfc54561d0bee8df04fa0 [0,2,0,0,0,0|1,0,1]=4 7683 B13R0.150 COCCCCCOCC(C)C(=O)O ff7da287faf858ca64bc4ec425c1e69c [0,2,0,0,0,0|1,0,1]=4 7684 B13R0.150 COCCCCCOC[C@@H](C)C(=O)O 138624d1b36fc9905cc0f824457c827d [0,2,0,0,0,0|1,0,1]=4 7685 B13R0.150 COCCCCCOC[C@H](C)C(=O)O c9f9535806f195f6449f37e12ada799e [0,2,0,0,0,0|1,0,1]=4 7686 B13R0.150 COCCCCNCCC(F)C(=O)O a79d99e754b0a00d3883c566cf05d452 [0,2,0,0,0,0|1,0,1]=4 7687 B13R0.150 COCCCCNCCC(O)C(=O)O 85d4aa9d38c9bc53d374329cf6b00dad [0,2,0,0,0,0|1,0,1]=4 7688 B13R0.150 COCCCCNCC[C@H](O)C(=O)O c5a6e408fc2af1555da12f0fd335004c [0,2,0,0,0,0|1,0,1]=4 7689 B13R0.150 COCCCNCCCC(C)C(=O)O 56e2c8ca5b7b405721bba67889b1e02f [0,2,0,0,0,0|1,0,1]=4 7690 B13R0.150 COCCCOCCCC(C)C(=O)O 8028ebbe4f4bce82d7cb431a2a1b5d53 [0,2,0,0,0,0|1,0,1]=4 7691 B13R0.150 CSCCCNCCCC(C)C(=O)O 9f4a4b17bf2d8daf106875e161d5b33d [0,2,0,0,0,0|1,0,1]=4 7692 B13R0.150 CSCCCOCCCC(C)C(=O)O d52b6580064a3e9c9146e8d36de4283d [0,2,0,0,0,0|1,0,1]=4 7693 B13R0.150 C[C@@H](CNCCCCCC#N)C(=O)O 80b2191e7532226d64a36f129edc712f [0,2,0,0,0,0|1,0,1]=4 7694 B13R0.150 C[C@@H](CNCCCCCC=O)C(=O)O 588e2214a3e40b07df9717693dec35b8 [0,2,0,0,0,0|1,0,0]=3 7695 B13R0.150 C[C@@H](CNCCCCCCF)C(=O)O 36da831bbd1db4e23392551891fff8c9 [0,2,0,0,0,0|1,0,1]=4 7696 B13R0.150 C[C@@H](CNCCCCCCO)C(=O)O 637eedfaac436abf77f1f20c0f77a2cd [0,2,0,0,0,0|1,0,1]=4 7697 B13R0.150 C[C@@H](COCCCCCC#N)C(=O)O 2689a49e3e5b31eb89f865223d414da6 [0,2,0,0,0,0|1,0,1]=4 7698 B13R0.150 C[C@@H](COCCCCCC=O)C(=O)O d52fb5b212f2b400c8e8cc32fabf392a [0,2,0,0,0,0|1,0,0]=3 7699 B13R0.150 C[C@@H](COCCCCCCF)C(=O)O 513ef0df6e83616857d309adef72e8d7 [0,2,0,0,0,0|1,0,1]=4 7700 B13R0.150 C[C@@H](NCCCCCCC#N)C(=O)O f745282f67e5bf04fd16f65ce678f1ef [0,2,0,0,0,0|1,0,1]=4 7701 B13R0.150 C[C@@H](NCCCCCCC=O)C(=O)N a08e9642032bc61a34e84c6b118ae78e [0,2,0,0,0,0|2,0,0]=4 7702 B13R0.150 C[C@@H](NCCCCCCC=O)C(=O)O e5a5e21d400e3cc06f586076410f1cbb [0,2,0,0,0,0|1,0,0]=3 7703 B13R0.150 C[C@@H](NCCCCCCCO)C(=O)O e5e6892210e6f2d6c78d604a2bf09c7e [0,2,0,0,0,0|1,0,1]=4 7704 B13R0.150 C[C@@H](OCCCCCCC#N)C(=O)O b295f4ea7c5968ebaa9830739d7aea2f [0,2,0,0,0,0|1,0,1]=4 7705 B13R0.150 C[C@@H](OCCCCCCC=O)C(=O)N 50dfe6b32b33596d9ac2ac6e6080039d [0,2,0,0,0,0|2,0,0]=4 7706 B13R0.150 C[C@@H](OCCCCCCC=O)C(=O)O bd4ede4984c8e3d33a07569cb0c51b6f [0,2,0,0,0,0|1,0,0]=3 7707 B13R0.150 C[C@H](CNCCCCCC#N)C(=O)O 096b794431d9775a924484cb59e63bd6 [0,2,0,0,0,0|1,0,1]=4 7708 B13R0.150 C[C@H](CNCCCCCC=O)C(=O)O a4109c72fbf8620fb645efd07fdc6000 [0,2,0,0,0,0|1,0,0]=3 7709 B13R0.150 C[C@H](CNCCCCCCF)C(=O)O 64b16c48a4acd5c826da7982b00f0127 [0,2,0,0,0,0|1,0,1]=4 7710 B13R0.150 C[C@H](CNCCCCCCO)C(=O)O f48163bca3f92743e9eeb0dc119dc8d1 [0,2,0,0,0,0|1,0,1]=4 7711 B13R0.150 C[C@H](COCCCCCC#N)C(=O)O 1bd4e38fed53e3cc0a697ba4cd376781 [0,2,0,0,0,0|1,0,1]=4 7712 B13R0.150 C[C@H](COCCCCCC=O)C(=O)O eb0405ebbec1e58389d90dece3ef8df9 [0,2,0,0,0,0|1,0,0]=3 7713 B13R0.150 C[C@H](COCCCCCCF)C(=O)O 566bfeb5f5f192229b86d2550a8e5295 [0,2,0,0,0,0|1,0,1]=4 7714 B13R0.150 C[C@H](NCCCCCCC#N)C(=O)O a570f004e35df36e48a294009171bfa8 [0,2,0,0,0,0|1,0,1]=4 7715 B13R0.150 C[C@H](NCCCCCCC=O)C(=O)N 94f9ff18d3fc0be2063e6ecdeb34d207 [0,2,0,0,0,0|2,0,0]=4 7716 B13R0.150 C[C@H](NCCCCCCC=O)C(=O)O 64704fc485d783d3af610fd58d82a759 [0,2,0,0,0,0|1,0,0]=3 7717 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O ec72f1fe9561b477e8ca8bfa4feab27b [0,2,0,0,0,0|1,0,1]=4 7718 B13R0.150 C[C@H](OCCCCCCC#N)C(=O)O 4bccc67e334ea53d2043c7e578ea2315 [0,2,0,0,0,0|1,0,1]=4 7719 B13R0.150 C[C@H](OCCCCCCC=O)C(=O)N b04f4ddbae467740eb49ce0132a8fcdc [0,2,0,0,0,0|2,0,0]=4 7720 B13R0.150 C[C@H](OCCCCCCC=O)C(=O)O 54a3f00f52e4a444cbc7d065fef21794 [0,2,0,0,0,0|1,0,0]=3 7721 B13R0.150 N#CCCCCCCNC(O)C(=O)O fd901654c9fe4b1823ee8d949cf9e14c [0,2,0,0,0,0|1,0,1]=4 7722 B13R0.150 N#CCCCCCNCC(F)C(=O)O 7ca6da7eb0c65f80610194e9e4570a56 [0,2,0,0,0,0|1,0,1]=4 7723 B13R0.150 N#CCCCCCNCC(O)C(=O)O 30b40fcab0d5b8b37620a8d92009ba2d [0,2,0,0,0,0|1,0,1]=4 7724 B13R0.150 N#CCCCCCNC[C@@H](O)C(=O)O de9a228c18de5273a0d686a47b659497 [0,2,0,0,0,0|1,0,1]=4 7725 B13R0.150 N#CCCCCCNC[C@H](O)C(=O)O b7a92888e0c2c9aefdef774066a10cfd [0,2,0,0,0,0|1,0,1]=4 7726 B13R0.150 N#CCCCCNCCC(F)C(=O)O d42dc1bdad78a63d5d60238a76c9e082 [0,2,0,0,0,0|1,0,1]=4 7727 B13R0.150 N#CCCCCNCCC(O)C(=O)O 3e15f7f44506fc62276236da48c00be2 [0,2,0,0,0,0|1,0,1]=4 7728 B13R0.150 N#CCCCCNCC[C@H](O)C(=O)O 8cc062b4bfc2d8c15738695999fab3d3 [0,2,0,0,0,0|1,0,1]=4 7729 B13R0.150 NOCCCCNCCC(F)C(=O)O 2d2e2c3d5aa9359255c51bb30c070f9b [0,2,0,0,0,0|2,0,0]=4 7730 B13R0.150 NOCCCCNCCC(O)C(=O)O ae650f2fca509c4e88bbb9de1ef3cdc4 [0,2,0,0,0,0|2,0,0]=4 7731 B13R0.150 NOCCCCNCC[C@H](O)C(=O)O 27540bf0345cd1855425a3bdaf183439 [0,2,0,0,0,0|2,0,0]=4 7732 B13R0.150 O=C(O)C(F)CCNCCCCCF 44d23bf3d121c12623a57101f0fa85b7 [0,2,0,0,0,0|1,0,1]=4 7733 B13R0.150 O=C(O)C(F)CCNCCCCCO 9bec78cea311ce88935eaa739e0ab975 [0,2,0,0,0,0|1,0,1]=4 7734 B13R0.150 O=C(O)C(F)CNCCCCCCF 46aa71c74d9947f8a8acd513b0333a61 [0,2,0,0,0,0|1,0,1]=4 7735 B13R0.150 O=C(O)C(F)CNCCCCCCO 75654451cd15fbd03e3fbea7d977c933 [0,2,0,0,0,0|1,0,1]=4 7736 B13R0.150 O=C(O)C(O)CCNCCCCCF 391fa154f1148b4a72af5579a6dba0b5 [0,2,0,0,0,0|1,0,1]=4 7737 B13R0.150 O=C(O)C(O)CCNCCCCCO 82924d6dcf45fe95cbca87213a26b4da [0,2,0,0,0,0|1,0,1]=4 7738 B13R0.150 O=C(O)C(O)CNCCCCCCCl 7e79b42c0813c109b1e67fc5e12d787d [0,2,0,0,0,0|1,0,1]=4 7739 B13R0.150 O=C(O)C(O)CNCCCCCCF e5fb8cfaba5e34471ccc2093dce30207 [0,2,0,0,0,0|1,0,1]=4 7740 B13R0.150 O=C(O)C(O)CNCCCCCCO f6e682046231b7b3b54e144e178098a1 [0,2,0,0,0,0|1,0,1]=4 7741 B13R0.150 O=C(O)C(O)NCCCCCCCO 059448168f0bb2be87af121062cabe90 [0,2,0,0,0,0|1,0,1]=4 7742 B13R0.150 O=C(O)[C@@H](O)CCNCCCCCF 4b6f83da45a8d8be8a432180acf1fb72 [0,2,0,0,0,0|1,0,1]=4 7743 B13R0.150 O=C(O)[C@@H](O)CCNCCCCCO 61b5e0181759f55340c287ca1c3d0cb7 [0,2,0,0,0,0|1,0,1]=4 7744 B13R0.150 O=C(O)[C@@H](O)CNCCCCCCCl 79538a61512e48385c90f5ec492745f4 [0,2,0,0,0,0|1,0,1]=4 7745 B13R0.150 O=C(O)[C@@H](O)CNCCCCCCF 19338b389a65cfd56966071473278cd9 [0,2,0,0,0,0|1,0,1]=4 7746 B13R0.150 O=C(O)[C@@H](O)CNCCCCCCO e9e10cf152b9d5f88ff11bf74ccbdb86 [0,2,0,0,0,0|1,0,1]=4 7747 B13R0.150 O=C(O)[C@H](O)CNCCCCCCF 4fb48a3294d18ff9ca12fb244cc7a1f2 [0,2,0,0,0,0|1,0,1]=4 7748 B13R0.150 O=C(O)[C@H](O)CNCCCCCCO 9e53e91f0ddfe691244c79903d575db8 [0,2,0,0,0,0|1,0,1]=4 7749 B13R0.150 O=CCCCCCCNC(O)C(=O)O c58cd359fa1d39b18e35e2edd581dbd8 [0,2,0,0,0,0|1,0,0]=3 7750 B13R0.150 O=CCCCCCNCC(F)C(=O)O 00f37d6d027dc6ac9677413b1e4eacad [0,2,0,0,0,0|1,0,0]=3 7751 B13R0.150 O=CCCCCCNCC(O)C(=O)O 2ad54b11632b9a5671f9b0dc3803f332 [0,2,0,0,0,0|1,0,0]=3 7752 B13R0.150 O=CCCCCCNC[C@@H](O)C(=O)O 29ad7d075c2c63e66fff707cf2f9e09b [0,2,0,0,0,0|1,0,0]=3 7753 B13R0.150 O=CCCCCCNC[C@H](O)C(=O)O e9d91fec4e4487dd14234c5815fa2914 [0,2,0,0,0,0|1,0,0]=3 7754 B13R0.150 O=CCCCCNCCC(F)C(=O)O 47e0e8b1ca96a391f8f2c0c7a14ef39c [0,2,0,0,0,0|1,0,0]=3 7755 B13R0.150 O=CCCCCNCCC(O)C(=O)O 0b76fe949d80fa4a1cb7bc9f5f5b1f7c [0,2,0,0,0,0|1,0,0]=3 7756 B13R0.150 O=CCCCCNCC[C@H](O)C(=O)O 224b3c8bc429a163dc71c32ccf21a512 [0,2,0,0,0,0|1,0,0]=3 7757 B13R0.150 O=CCOCCNCCC(F)C(=O)O 00e63d839d565c655e7d32ccbe3147f7 [0,2,0,0,0,0|2,0,0]=4 7758 B13R0.150 O=CCOCCNCCC(O)C(=O)O 5ac2650e31d14ac3116101f5558e8870 [0,2,0,0,0,0|2,0,0]=4 7759 B13R0.150 O=CCOCCNCC[C@H](O)C(=O)O 41542f4d260bbe1eff71abed22edadaa [0,2,0,0,0,0|2,0,0]=4 7760 B13R0.154 C#CCCCCCN(C)CCC(=O)O 867122d352967c53b11a4c79b197969a [0,2,0,0,0,0|0,0,2]=4 7761 B13R0.154 C#CCCCCNC(C)CCC(=O)O 0e59de53c5680019b792b6aae694cd3c [0,2,0,0,0,0|0,0,2]=4 7762 B13R0.154 C#CCCCCN[C@@H](C)CCC(=O)O fc3722eaadd0c931200c1219a9e62508 [0,2,0,0,0,0|0,0,2]=4 7763 B13R0.154 C#CCCCCOC(C)CCC(=O)O 15b149d760a55e06a36f2cf20adaaf61 [0,2,0,0,0,0|0,0,2]=4 7764 B13R0.154 C/C=C/CCCOC(C)CCC(=O)O 40953d6a0bbb1e0e4aa955bc325e2bb3 [0,2,0,0,0,0|1,0,0]=3 7765 B13R0.154 C/C=C/CCOCC(=O)CCC(=O)O 89b85d3a5eb1a7091c6290a7d7f1932e [0,2,0,0,0,0|1,0,1]=4 7766 B13R0.154 C/C=C/CNCCN(C)CCC(=O)O dd52eb1b47e6245a84be1cc272aa818d [0,2,0,0,0,0|2,0,0]=4 7767 B13R0.154 C/C=C/COCCN(C)CCC(=O)O 9847e69fc433d2943c0549f7f00f55e8 [0,2,0,0,0,0|2,0,0]=4 7768 B13R0.154 C/C=C\CCCNC(C)CCC(=O)O f8f662394c37ed90430d846a53c0232d [0,2,0,0,0,0|1,0,0]=3 7769 B13R0.154 C/C=C\CCCN[C@@H](C)CCC(=O)O 159faddce95fb9f5c7f3084bb2e0cc3e [0,2,0,0,0,0|1,0,0]=3 7770 B13R0.154 C/C=C\CCCOC(C)CCC(=O)O c51e19b8c7af52566087ecd839d3970b [0,2,0,0,0,0|1,0,0]=3 7771 B13R0.154 C/C=C\CNCCN(C)CCC(=O)O 85a5c4f0ed1fa47951fc54195e7bc752 [0,2,0,0,0,0|2,0,0]=4 7772 B13R0.154 C/C=C\COCCN(C)CCC(=O)O 925bddd858ce9a7d844dd987d5b7d862 [0,2,0,0,0,0|2,0,0]=4 7773 B13R0.154 C=C/C=C/CCNC(C)CCC(=O)O 7e98b64e2a921297d50ce0478febf50e [0,2,0,0,0,0|0,0,2]=4 7774 B13R0.154 C=C=CCCOCC(=O)CCC(=O)O 45e6649cb47803a2cad087b56aa6dc69 [0,2,0,0,0,0|1,0,1]=4 7775 B13R0.154 C=CCCCCCC(=O)NCC(=O)C d817b7d9988b03f404b620992e75f51a [0,2,0,0,0,0|1,0,1]=4 7776 B13R0.154 C=CCCCCCC(=O)NCC(=O)N a6e0ae3ccd9344fdb3927c7bc02b99e6 [0,2,0,0,0,0|1,0,1]=4 7777 B13R0.154 C=CCCCCCN(C)CCC(=C)C 992705e3ba504ad8663b666f00d25440 [0,2,0,0,0,0|2,0,0]=4 7778 B13R0.154 C=CCCCCCN(C)CCC(=O)C ae9c45ffdce1a4ce188ec258aeb49ac6 [0,2,0,0,0,0|1,0,0]=3 7779 B13R0.154 C=CCCCCCN(C)CCC(=O)N 38419c864eb346d15cf8491f080554ad [0,2,0,0,0,0|1,0,0]=3 7780 B13R0.154 C=CCCCCCN(C)CCC(=O)O efc2861bd12818b1bbe39d8a90c8f035 [0,2,0,0,0,0|0,0,0]=2 7781 B13R0.154 C=CCCCCCN(C)CCC(C)O 5e026ce2d435e19d0a149c3151e5e12e [0,2,0,0,0,0|1,0,1]=4 7782 B13R0.154 C=CCCCCCN(C)CCS(=O)C 28893f388c49989eb60a538cf21cc784 [0,2,0,0,0,0|2,0,0]=4 7783 B13R0.154 C=CCCCCCN(C)COC(=O)C fa93dc2c09b2da0f0dd7c769ee7ca0da [0,2,0,0,0,0|2,0,0]=4 7784 B13R0.154 C=CCCCCCN(C)CSC(=O)N 8b96188c6dba944f51a5d923f72489fb [0,2,0,0,0,0|2,0,0]=4 7785 B13R0.154 C=CCCCCNC(=O)CCC(=O)C e55b898502c19020f8ce06452ea41323 [0,2,0,0,0,0|1,0,1]=4 7786 B13R0.154 C=CCCCCNC(=O)CCC(=O)N ae78c4ae236120339b5fbf2bdc48498d [0,2,0,0,0,0|1,0,1]=4 7787 B13R0.154 C=CCCCCNC(=O)NCC(=O)O 2ef817519423201ebdc5416149dc0434 [0,2,0,0,0,0|1,0,1]=4 7788 B13R0.154 C=CCCCCNC(=S)NCC(=O)O c559747a4860a8aa47c5cf4f089aa92e [0,2,0,0,0,0|1,0,1]=4 7789 B13R0.154 C=CCCCCNC(C)CCC(=O)O 9b0bd637495ecdd58dddb4d2ff064348 [0,2,0,0,0,0|0,0,0]=2 7790 B13R0.154 C=CCCCCN[C@@H](C)CCC(=O)O 742a6678f6f4eab5a10189f6c8b4dd18 [0,2,0,0,0,0|0,0,0]=2 7791 B13R0.154 C=CCCCCOC(C)CCC(=O)O 52c28aaca414d2f9a63a4e25a018fb66 [0,2,0,0,0,0|0,0,0]=2 7792 B13R0.154 C=CCCCCOC(C)CNC(=O)C d35d0e9e5eba0982d08b2b7635184e14 [0,2,0,0,0,0|2,0,0]=4 7793 B13R0.154 C=CCCCCOC(C)COC(=O)C 369b8d3388fc6f9b6443306c91ab5bbd [0,2,0,0,0,0|2,0,0]=4 7794 B13R0.154 C=CCCCNCC(=O)CCC(=O)O 55f4291844ecec29068e35db253fbb35 [0,2,0,0,0,0|0,0,1]=3 7795 B13R0.154 C=CCCCNCC(=O)NCC(=O)O 4340c3b7f3f84a79d674eb15cdd16c79 [0,2,0,0,0,0|1,0,1]=4 7796 B13R0.154 C=CCCCNCC(C)COC(=O)C 12005b2479a905823bc805e9113b166c [0,2,0,0,0,0|2,0,0]=4 7797 B13R0.154 C=CCCCNCC(O)COC(=O)C b5ce54dea419ce58934212328718d05d [0,2,0,0,0,0|2,0,0]=4 7798 B13R0.154 C=CCCCOCC(=O)CCC(=O)O d8b5b3ca27796a8ae28c9434aa415be6 [0,2,0,0,0,0|0,0,1]=3 7799 B13R0.154 C=CCCCOCC(=O)NCC(=O)O 319eecdc7db9ee07058ec73e9cd68128 [0,2,0,0,0,0|1,0,1]=4 7800 B13R0.154 C=CCCCOCC(C)COC(=O)C 4cbbbe937713e0a54f157a7b7b4cf1cf [0,2,0,0,0,0|2,0,0]=4 7801 B13R0.154 C=CCCCOC[C@@H](C)COC(=O)C edc8d2355a81fd3aa2cecfa9a00613f7 [0,2,0,0,0,0|2,0,0]=4 7802 B13R0.154 C=CCCNCCN(C)CCC(=O)O 213b8dc81068a8b23a724e10ce68bf24 [0,2,0,0,0,0|1,0,0]=3 7803 B13R0.154 C=CCCOCCN(C)CCC(=O)O a164bd74a1bdc25975db4195a6f84b20 [0,2,0,0,0,0|1,0,0]=3 7804 B13R0.154 C=CCOCCNC(=O)CCC(=O)O b7b3f3ceec2af8876b0e8571779126d9 [0,2,0,0,0,0|1,0,1]=4 7805 B13R0.154 C=CCOCCNC(C)CCC(=O)O 13b76ff9fa486648b4b9849931dbff60 [0,2,0,0,0,0|1,0,0]=3 7806 B13R0.154 C=CCOCCN[C@@H](C)CCC(=O)O aff67565a2d0e3ceb08d8f5cec1105cb [0,2,0,0,0,0|1,0,0]=3 7807 B13R0.154 C=CCOCCOC(C)CCC(=O)O 20bcd02e8c4ff3a6bbe5d0d138b1d540 [0,2,0,0,0,0|1,0,0]=3 7808 B13R0.154 C=COCCCNC(C)CCC(=O)O b631d4ee0a4aa0e510410da8adf5b4cc [0,2,0,0,0,0|1,0,0]=3 7809 B13R0.154 C=COCCNCC(=O)CCC(=O)O e9793442fdbc59949499a84c5e380683 [0,2,0,0,0,0|1,0,1]=4 7810 B13R0.154 C=COCCOCC(=O)CCC(=O)O 1f1bd48cf06f63796fdc84b8aa8d5dc8 [0,2,0,0,0,0|1,0,1]=4 7811 B13R0.154 CC(CCC(=O)O)NCCCCC#N fedf8fc0474db1e1f07acb992ec4b85f [0,2,0,0,0,0|1,0,1]=4 7812 B13R0.154 CC(CCC(=O)O)NCCCCC=O 39133b4cac0a5e9556b251318c73d467 [0,2,0,0,0,0|1,0,0]=3 7813 B13R0.154 CC(CCC(=O)O)NCCCCCCl 8416aca4cc6b3c64dad81f3b7de5dc36 [0,2,0,0,0,0|1,0,1]=4 7814 B13R0.154 CC(CCC(=O)O)NCCCCCF ead7ce5796684f5a7eb8215cc5a83177 [0,2,0,0,0,0|1,0,1]=4 7815 B13R0.154 CC(CCC(=O)O)NCCCCCO 1b350863f8b4a2f037bdc40c2a003cd5 [0,2,0,0,0,0|1,0,1]=4 7816 B13R0.154 CC(CCC(=O)O)NCCCCON 36076a2d0b7e8018a71e6c5764611543 [0,2,0,0,0,0|2,0,0]=4 7817 B13R0.154 CC(CCC(=O)O)NCCOCC=O edb021cf6d702f0d7837878d8ac323e8 [0,2,0,0,0,0|2,0,0]=4 7818 B13R0.154 CC(CCC(=O)O)OCCCCC#N 5fed74a8ef972df6c98c91811138cd53 [0,2,0,0,0,0|1,0,1]=4 7819 B13R0.154 CC(CCC(=O)O)OCCCCC=O fd5e54aade34b298013cc2709429fabe [0,2,0,0,0,0|1,0,0]=3 7820 B13R0.154 CC(CCC(=O)O)OCCCCCF ef147efefae5021a9d1eeb88a116f964 [0,2,0,0,0,0|1,0,1]=4 7821 B13R0.154 CC(CCC(=O)O)OCCOCC=O 84ecdb1bf5805004d3bb07085e2850f5 [0,2,0,0,0,0|2,0,0]=4 7822 B13R0.154 CC=CCCCOC(C)CCC(=O)O f17bd2b802bc9c9e91e604ee2c713200 [0,2,0,0,0,0|1,0,0]=3 7823 B13R0.154 CCCCCCCC(C)OCC(=O)O 1ae5d9b72f4d57d4439a54b928da9274 [0,2,0,0,0,0|0,0,2]=4 7824 B13R0.154 CCCCCCCN(C)CCC(=O)O 0729fda7a278c705196a35fd75ccfa11 [0,2,0,0,0,0|0,0,2]=4 7825 B13R0.154 CCCCCCC[C@H](C)NCC(=O)O 9e1e45c318b05b14bec31e33d52f4e68 [0,2,0,0,0,0|0,0,2]=4 7826 B13R0.154 CCCCCCNC(C)CCC(=O)O 0fe521212c707af72f224b8db3351481 [0,2,0,0,0,0|0,0,2]=4 7827 B13R0.154 CCCCCCN[C@@H](C)CCC(=O)O eaa55d56af0939019681b6e70deb2865 [0,2,0,0,0,0|0,0,2]=4 7828 B13R0.154 CCCCCCOC(C)CCC(=O)O 432a920140873079061a0a02d1212975 [0,2,0,0,0,0|0,0,2]=4 7829 B13R0.154 CN(CCCCCC#N)CCC(=O)O 9945addc7c3c76662e0e70cccd11c69d [0,2,0,0,0,0|1,0,1]=4 7830 B13R0.154 CN(CCCCCC=O)CCC(=O)N aacb5acde25d903794ab1b75642c7e03 [0,2,0,0,0,0|2,0,0]=4 7831 B13R0.154 CN(CCCCCC=O)CCC(=O)O a09b882f4471d7aacfeebd0199398319 [0,2,0,0,0,0|1,0,0]=3 7832 B13R0.154 CN(CCCCCCF)CCC(=O)O c255b4be6faedf7ae98366c9a78eae7d [0,2,0,0,0,0|1,0,1]=4 7833 B13R0.154 CN(CCCCCCO)CCC(=O)O 95a444f5f6f3a38b75f0c20103dd52d6 [0,2,0,0,0,0|1,0,1]=4 7834 B13R0.154 CN(CCNC/C=C/Cl)CCC(=O)O cb645ee835cf0988b9db1b91d024cbf1 [0,2,0,0,0,0|2,0,0]=4 7835 B13R0.154 CN(CCNC/C=C\Cl)CCC(=O)O cf18637a321fab60f3b6a47ad5f1763d [0,2,0,0,0,0|2,0,0]=4 7836 B13R0.154 CN(CCNC/C=C\O)CCC(=O)O de15029563c82727b0e8c90bd60ee818 [0,2,0,0,0,0|2,0,0]=4 7837 B13R0.154 CN(CCNCCC=O)CCC(=O)O 1636283b0ef762263b00b772184b5bcd [0,2,0,0,0,0|2,0,0]=4 7838 B13R0.154 CN(CCOC/C=C/Cl)CCC(=O)O 29498c1a9722189383a856c688891be6 [0,2,0,0,0,0|2,0,0]=4 7839 B13R0.154 CN(CCOC/C=C\Cl)CCC(=O)O c34c1221b0691637c9c9dd07fa7d3024 [0,2,0,0,0,0|2,0,0]=4 7840 B13R0.154 CN(CCOCCC=O)CCC(=O)O 184d5d12da7c68111166cb18cccc4931 [0,2,0,0,0,0|2,0,0]=4 7841 B13R0.154 COCCCCCN(C)CCC(=O)O 6787e552066234b6732b7ab882f6e2ac [0,2,0,0,0,0|1,0,1]=4 7842 B13R0.154 COCCCCNC(C)CCC(=O)O f6d37915268b6e3b4d8294052257702c [0,2,0,0,0,0|1,0,1]=4 7843 B13R0.154 COCCCCN[C@@H](C)CCC(=O)O 02c8e83368ef5513fb98f7fd64748f90 [0,2,0,0,0,0|1,0,1]=4 7844 B13R0.154 COCCCCOC(C)CCC(=O)O 44e7199da58183a79d5e57c4fd66aad4 [0,2,0,0,0,0|1,0,1]=4 7845 B13R0.154 CSCCCCNC(C)CCC(=O)O f080b8fe2e28b9d929258ef10dcccd8e [0,2,0,0,0,0|1,0,1]=4 7846 B13R0.154 CSCCCCOC(C)CCC(=O)O 89deeedea4dcea4fb70679e5252789b1 [0,2,0,0,0,0|1,0,1]=4 7847 B13R0.154 C[C@@H](CCC(=O)O)NCCCCC#N e90c527d9e0b6408c90ae340767c4580 [0,2,0,0,0,0|1,0,1]=4 7848 B13R0.154 C[C@@H](CCC(=O)O)NCCCCC=O 0a5e72bd9229a16fe08e57aa92d921d9 [0,2,0,0,0,0|1,0,0]=3 7849 B13R0.154 C[C@@H](CCC(=O)O)NCCCCCF 3f402b31a379b0917d8b60cfb279de2a [0,2,0,0,0,0|1,0,1]=4 7850 B13R0.154 C[C@@H](CCC(=O)O)NCCCCCO 9d8bd1a06a59b9e7ff34028bad2159c2 [0,2,0,0,0,0|1,0,1]=4 7851 B13R0.154 C[C@@H](CCC(=O)O)NCCCCON e1343722782ad1c47a92a533b806030d [0,2,0,0,0,0|2,0,0]=4 7852 B13R0.154 C[C@@H](CCC(=O)O)NCCOCC=O a9e03317c1da02ce7a03018bc66033f8 [0,2,0,0,0,0|2,0,0]=4 7853 B13R0.154 O=CCCCNCC(=O)CCC(=O)O a5618b57f1ac3e98441f95a75ff0a407 [0,2,0,0,0,0|1,0,1]=4 7854 B13R0.154 O=CCCCOCC(=O)CCC(=O)O 88ea0753c6e3e7a93a8f6526145c100f [0,2,0,0,0,0|1,0,1]=4 7855 B13R0.179 C/C(=C/CNCCCCCC(=O)N)/I 91f43a97b765ddde1f687fb308434178 [0,2,0,0,0,0|2,0,0]=4 7856 B13R0.179 C/C(=C/CNCCCCCC(=O)O)/I f2b23d29f89d8100603dbc87cb2114f3 [0,2,0,0,0,0|1,0,0]=3 7857 B13R0.179 C/C(=C/CNCCOCCC(=O)O)/I 82f5cc6496c392366896ab77718f1c72 [0,2,0,0,0,0|2,0,0]=4 7858 B13R0.179 C/C(=C/COCCCCCC(=O)N)/Cl dad44cf4ae028c83fd92aed88364275b [0,2,0,0,0,0|2,0,0]=4 7859 B13R0.179 C/C(=C/COCCCCCC(=O)N)/I 583a4afa073f8c2d0a7c418236025671 [0,2,0,0,0,0|2,0,0]=4 7860 B13R0.179 C/C(=C/COCCCCCC(=O)O)/Cl 52652b7078f34623ff30f9a09a53d522 [0,2,0,0,0,0|1,0,0]=3 7861 B13R0.179 C/C(=C/COCCCCCC(=O)O)/I 8a5dc428572f94dba5eab2010405d0f9 [0,2,0,0,0,0|1,0,0]=3 7862 B13R0.179 C/C(=C/COCCCOCC(=O)O)/Cl 0d4b80e90b4d71896243cef7e718a0fa [0,2,0,0,0,0|2,0,0]=4 7863 B13R0.179 C/C(=C/COCCCOCC(=O)O)/I 9e1bc7b4954cf4ea1be0b14b346d3cc7 [0,2,0,0,0,0|2,0,0]=4 7864 B13R0.179 C/C(=C/COCCOCCC(=O)O)/Cl b76bd7a949a93af00233c1921d370965 [0,2,0,0,0,0|2,0,0]=4 7865 B13R0.179 C/C(=C/COCCOCCC(=O)O)/I 1e1218bc9763cb9a1ac9c531642c891a [0,2,0,0,0,0|2,0,0]=4 7866 B13R0.179 C/C(=C\CNCCCCCC(=O)N)/Cl 9e968c852bc097bf1650c840b63d5a55 [0,2,0,0,0,0|2,0,0]=4 7867 B13R0.179 C/C(=C\CNCCCCCC(=O)O)/Cl d098a7227ab110a4a10722e674c67c1f [0,2,0,0,0,0|1,0,0]=3 7868 B13R0.179 C/C(=C\CNCCOCCC(=O)O)/Cl 521b9733f37cf33fd9681eb4229a4bb8 [0,2,0,0,0,0|2,0,0]=4 7869 B13R0.179 C/C(=C\COCCCCCC(=O)N)/Cl 4badc9075d7eef1606bc5db8903a64f6 [0,2,0,0,0,0|2,0,0]=4 7870 B13R0.179 C/C(=C\COCCCCCC(=O)O)/Cl 987f9f4737b2a4afae038da420d2fd01 [0,2,0,0,0,0|1,0,0]=3 7871 B13R0.179 C/C(=C\COCCOCCC(=O)O)/Cl e6e7550274839aa2d0328e2499ffd2a2 [0,2,0,0,0,0|2,0,0]=4 7872 B13R0.179 C=C(Br)CCOCCCCCC(=O)C d89fd560997bc3c2bbf42c1f870b866b [0,2,0,0,0,0|1,0,0]=3 7873 B13R0.179 C=C(Br)CCOCCCCCC(=O)N 7d780d6ce15beb8b37be151b56b95594 [0,2,0,0,0,0|1,0,0]=3 7874 B13R0.179 C=C(Br)CCOCCCCOC(=O)C e307ff32a15ca3acf95a375a2a4ea2e9 [0,2,0,0,0,0|2,0,0]=4 7875 B13R0.179 C=C(Br)CCOCCCCSC(=O)C ca7492762e4f5b5b9bd55668a7aefbd4 [0,2,0,0,0,0|2,0,0]=4 7876 B13R0.179 C=C(Br)CCOCCCOCC(=O)O 19aaab256426771a75c0669509292ade [0,2,0,0,0,0|1,0,0]=3 7877 B13R0.179 C=C(Br)CCOCCOCCC(=O)O 3fddd1f80a172a289ac4f905cbf55797 [0,2,0,0,0,0|1,0,0]=3 7878 B13R0.179 C=C(Br)CNCCCCCCC(=O)O 73958e2033fa8c91e7db14a634618a36 [0,2,0,0,0,0|0,0,0]=2 7879 B13R0.179 C=C(Br)CNCCCCCNC(=O)C 144495c6eb9511beb7ce9dd1b3d196ee [0,2,0,0,0,0|2,0,0]=4 7880 B13R0.179 C=C(Br)CNCCCCCOC(=O)C ce4249c2bf4ed36f75aac77ef653042d [0,2,0,0,0,0|2,0,0]=4 7881 B13R0.179 C=C(Br)CNCCCSCCC(=O)N 9b8a4b484496ed2d36ceaf0dae09e0bc [0,2,0,0,0,0|2,0,0]=4 7882 B13R0.179 C=C(Br)COCCCCCCC(=O)N ed545b41a5ad16916db7c255fdb42022 [0,2,0,0,0,0|1,0,0]=3 7883 B13R0.179 C=C(Br)COCCCCCCC(=O)O fc51ffbd6d54afa78896589d475173a9 [0,2,0,0,0,0|0,0,0]=2 7884 B13R0.179 C=C(Br)COCCCCCOC(=O)C 2e4e84bf1a0f899f4d4f26edd537ceac [0,2,0,0,0,0|2,0,0]=4 7885 B13R0.179 C=C(C)CCCNCCCCC(=O)N 8458c0db4d55264e95ea1f65980e2554 [0,2,0,0,0,0|1,0,0]=3 7886 B13R0.179 C=C(C)CCCNCCCCC(=O)O e465694991d9c5479e89d469f9cb19b1 [0,2,0,0,0,0|0,0,0]=2 7887 B13R0.179 C=C(C)CCCNCCCNC(=O)C 24f3197b53f61135472e8c9208b4dd04 [0,2,0,0,0,0|2,0,0]=4 7888 B13R0.179 C=C(C)CCCNCCOCC(=O)O 82aa74e3c7e6b22540735542fe16ff0d [0,2,0,0,0,0|1,0,0]=3 7889 B13R0.179 C=C(C)CCCOCCC#CC(=O)O 52e9d7a50dd45a83eca2d5b2bc44f246 [0,2,0,0,0,0|0,0,2]=4 7890 B13R0.179 C=C(C)CCCOCCCCC(=O)C 95a43e79f966101c465b44358bb4fedf [0,2,0,0,0,0|1,0,0]=3 7891 B13R0.179 C=C(C)CCCOCCCCC(=O)N 7a64a133b86af9176ceb3ac9e204a79d [0,2,0,0,0,0|1,0,0]=3 7892 B13R0.179 C=C(C)CCCOCCCCC(=O)O 5dc6a407899a65fb4ae722973d9a0222 [0,2,0,0,0,0|0,0,0]=2 7893 B13R0.179 C=C(C)CCCOCCCC[N+](=O)[O-] 49d1e3bf2c6b634a1e19350965dd9b3b [0,2,0,0,0,0|1,0,1]=4 7894 B13R0.179 C=C(C)CCCOCCCNC(=O)C 081ea12cba344f5277bcf1b2a2fb30b3 [0,2,0,0,0,0|2,0,0]=4 7895 B13R0.179 C=C(C)CCCOCCCOC(=O)C c53e145a19aacd240322918a2316cb4b [0,2,0,0,0,0|2,0,0]=4 7896 B13R0.179 C=C(C)CCCOCCCSC(=O)C a305382a14948d0bfbe4dc10101bb576 [0,2,0,0,0,0|2,0,0]=4 7897 B13R0.179 C=C(C)CCCOCCOCC(=O)N 1125a4a9371826c3addf2cad447b6f1d [0,2,0,0,0,0|2,0,0]=4 7898 B13R0.179 C=C(C)CCCOCCOCC(=O)O 19fbaea0c215d94e5ef9c4a3916b89d7 [0,2,0,0,0,0|1,0,0]=3 7899 B13R0.179 C=C(C)CCCOCCSCC(=O)N 7ce9dbc1a5f36827468343a967072414 [0,2,0,0,0,0|2,0,0]=4 7900 B13R0.179 C=C(C)CCNCCCCCC(=O)C 5bdcb96093aebaf07248bad4929f3cb2 [0,2,0,0,0,0|1,0,0]=3 7901 B13R0.179 C=C(C)CCNCCCCCC(=O)N 5525635cd71bf4cccfabff6a5cfec62d [0,2,0,0,0,0|1,0,0]=3 7902 B13R0.179 C=C(C)CCNCCCCCC(=O)O 5e443fb39444b20027a3482424ce674f [0,2,0,0,0,0|0,0,0]=2 7903 B13R0.179 C=C(C)CCNCCCCNC(=O)C c8b432e123e36514a33d7e1e043fe16f [0,2,0,0,0,0|2,0,0]=4 7904 B13R0.179 C=C(C)CCNCCCCOC(=O)C 69b976f37663ef630b3bdced7792cf53 [0,2,0,0,0,0|2,0,0]=4 7905 B13R0.179 C=C(C)CCNCCCCSC(=O)C 08f0d318601409d252925f24cccf9b91 [0,2,0,0,0,0|2,0,0]=4 7906 B13R0.179 C=C(C)CCNCCCOCC(=O)O ebb5cd02fa2ad062c6137b12971907f6 [0,2,0,0,0,0|1,0,0]=3 7907 B13R0.179 C=C(C)CCNCCOCCC(=O)O 8a99fccc2cd0a9434055bf945cca4d20 [0,2,0,0,0,0|1,0,0]=3 7908 B13R0.179 C=C(C)CCOCCCCCC(=O)C 277b7eb2b770c7f9510cbd4fa262a683 [0,2,0,0,0,0|1,0,0]=3 7909 B13R0.179 C=C(C)CCOCCCCCC(=O)N e223bbc548d0cdbb2c69b7566f02388b [0,2,0,0,0,0|1,0,0]=3 7910 B13R0.179 C=C(C)CCOCCCCCC(=O)O b798297d1c95849f3bfba78d1b7a13c9 [0,2,0,0,0,0|0,0,0]=2 7911 B13R0.179 C=C(C)CCOCCCCOC(=O)C 2be9068e9d8b3a9c2399e0ab56f78da2 [0,2,0,0,0,0|2,0,0]=4 7912 B13R0.179 C=C(C)CCOCCCCSC(=O)C b68f8d461b51f3defc86940ee40eadbc [0,2,0,0,0,0|2,0,0]=4 7913 B13R0.179 C=C(C)CCOCCCOCC(=O)O 229db6c301fb57c3e4b7616f59d98d2e [0,2,0,0,0,0|1,0,0]=3 7914 B13R0.179 C=C(C)CCOCCOCCC(=O)O 7fbeadb2eb76a688706854330aa407b4 [0,2,0,0,0,0|1,0,0]=3 7915 B13R0.179 C=C(C)CNCCCCCCC(=O)O 3fd2b0e3787747ecd07671a6444d7397 [0,2,0,0,0,0|0,0,0]=2 7916 B13R0.179 C=C(C)CNCCCCCNC(=O)C ebd45e643fc176a090450d8207d2298c [0,2,0,0,0,0|2,0,0]=4 7917 B13R0.179 C=C(C)CNCCCCCOC(=O)C 4c8c24a0d92d1f8d9d91438867c2b90d [0,2,0,0,0,0|2,0,0]=4 7918 B13R0.179 C=C(C)CNCCCSCCC(=O)N ec1679e6baf3b9d0b7aa01fad09c1468 [0,2,0,0,0,0|2,0,0]=4 7919 B13R0.179 C=C(C)CNCCSSCCC(=O)O 49ecd5ae5f940c7b27cf626930ca6255 [0,2,0,0,0,0|2,0,0]=4 7920 B13R0.179 C=C(C)COCCCCCCC(=O)N d2a79917ed1f06ca7a7d6f74e8f496cf [0,2,0,0,0,0|1,0,0]=3 7921 B13R0.179 C=C(C)COCCCCCCC(=O)O 4ad6bf988d3b7f349cfd757aebd8ffa7 [0,2,0,0,0,0|0,0,0]=2 7922 B13R0.179 C=C(C)COCCCCCOC(=O)C c6909f002cab51ff9b50f5ee2e78b7a2 [0,2,0,0,0,0|2,0,0]=4 7923 B13R0.179 C=C(C)COCCOCCCC(=O)C b38a9926870878b9f5780ed0843d686d [0,2,0,0,0,0|2,0,0]=4 7924 B13R0.179 C=C(C)COCCOCCCC(=O)N 7672ce24e1ea11aa92bfb4a1a00464ca [0,2,0,0,0,0|2,0,0]=4 7925 B13R0.179 C=C(C)COCCOCCCC(=O)O f6371a0b8393a880ce398f38d5c18385 [0,2,0,0,0,0|1,0,0]=3 7926 B13R0.179 C=C(Cl)CNCCCCCCC(=O)O a9b8edd50e0ad5da06fb6f53fdf2c0d9 [0,2,0,0,0,0|0,0,0]=2 7927 B13R0.179 C=C(Cl)CNCCCCCNC(=O)C 3e3015dfd65c425d3d3e69320e5b7f13 [0,2,0,0,0,0|2,0,0]=4 7928 B13R0.179 C=C(Cl)CNCCCSCCC(=O)N d597bab329378312334664086c580eab [0,2,0,0,0,0|2,0,0]=4 7929 B13R0.179 C=C(Cl)COCCCCCCC(=O)N c1e6d2f06af604c198a0b6410cd0a08e [0,2,0,0,0,0|1,0,0]=3 7930 B13R0.179 C=C(Cl)COCCCCCCC(=O)O affc37cccc33e8187652086d069a6265 [0,2,0,0,0,0|0,0,0]=2 7931 B13R0.179 C=C(Cl)COCCCCCOC(=O)C f19a639096a7521514b9b1e4cf968529 [0,2,0,0,0,0|2,0,0]=4 7932 B13R0.179 C=C(F)CNCCCCCCC(=O)O e00da89878c79335579c3508b74ccb54 [0,2,0,0,0,0|0,0,0]=2 7933 B13R0.179 C=C(F)CNCCCCCNC(=O)C 8377a2842b0d8ca6dc5b998d3c715a86 [0,2,0,0,0,0|2,0,0]=4 7934 B13R0.179 C=C(F)CNCCCSCCC(=O)N d83210dcba204c26696a174bfbaa55d4 [0,2,0,0,0,0|2,0,0]=4 7935 B13R0.179 C=C(F)COCCCCCCC(=O)N b6fe0e2a686e6361709db5097b64c84d [0,2,0,0,0,0|1,0,0]=3 7936 B13R0.179 C=C(F)COCCCCCCC(=O)O b2cbebe56fad16883093793b6a6c6b90 [0,2,0,0,0,0|0,0,0]=2 7937 B13R0.179 C=C(F)COCCCCCOC(=O)C 503478a858e7c65d57da663669410c23 [0,2,0,0,0,0|2,0,0]=4 7938 B13R0.179 C=C(I)COCCCCCOC(=O)C d1e01af937f453afdadf904bf505acda [0,2,0,0,0,0|2,0,0]=4 7939 B13R0.179 CC(=CCCNCCCCC(=O)N)C eee96ec14a47a802ab233a9286e410f3 [0,2,0,0,0,0|2,0,0]=4 7940 B13R0.179 CC(=CCCNCCCCC(=O)O)C cacb056db63abadd09a85ed98d4c2b16 [0,2,0,0,0,0|1,0,0]=3 7941 B13R0.179 CC(=CCCNCCOCC(=O)O)C a4bdc8d6f4d452769e0d0fdf37fc3cc6 [0,2,0,0,0,0|2,0,0]=4 7942 B13R0.179 CC(=CCCNCCSCC(=O)O)C 545560ede38b56373d0811fc485c624d [0,2,0,0,0,0|2,0,0]=4 7943 B13R0.179 CC(=CCCOCCCCC(=O)N)C f1c49c57be4c2f54edc04d96c2dacde0 [0,2,0,0,0,0|2,0,0]=4 7944 B13R0.179 CC(=CCCOCCCCC(=O)O)C cd8c4afedbc8a81b71346493766a43b1 [0,2,0,0,0,0|1,0,0]=3 7945 B13R0.179 CC(=CCCOCCOCC(=O)O)C 6375ac4a9fb045d2ddd5612a58fa8898 [0,2,0,0,0,0|2,0,0]=4 7946 B13R0.179 CC(=CCNCCCCCC(=O)N)C ebcd893504ef34ae42b3a9f207772b61 [0,2,0,0,0,0|2,0,0]=4 7947 B13R0.179 CC(=CCNCCCCCC(=O)N)Cl c93b2ba615df3c074300b97b45f489a4 [0,2,0,0,0,0|2,0,0]=4 7948 B13R0.179 CC(=CCNCCCCCC(=O)N)I a5105460bd95796833fc72273ed92803 [0,2,0,0,0,0|2,0,0]=4 7949 B13R0.179 CC(=CCNCCCCCC(=O)O)C 2f5ed1f8f55fcc2ecb023a40f5717371 [0,2,0,0,0,0|1,0,0]=3 7950 B13R0.179 CC(=CCNCCCCCC(=O)O)Cl 2a8903960891979ef1d96fb0d4ce3c2f [0,2,0,0,0,0|1,0,0]=3 7951 B13R0.179 CC(=CCNCCCCCC(=O)O)I f8c8ef2d04d3d70459991b0ad9a609e8 [0,2,0,0,0,0|1,0,0]=3 7952 B13R0.179 CC(=CCNCCCOCC(=O)O)C d69b639c200430e2ac638a02a5d3384d [0,2,0,0,0,0|2,0,0]=4 7953 B13R0.179 CC(=CCNCCOCCC(=O)O)C f8fa86ffed8dc744f9b0c887eca7b62a [0,2,0,0,0,0|2,0,0]=4 7954 B13R0.179 CC(=CCNCCOCCC(=O)O)Cl de8b9c9532eacd8767d22e93e7f1c733 [0,2,0,0,0,0|2,0,0]=4 7955 B13R0.179 CC(=CCNCCOCCC(=O)O)I 03ff0e598a4e88b5c6bf8aa0dcf0f3b4 [0,2,0,0,0,0|2,0,0]=4 7956 B13R0.179 CC(=CCOCCCCCC(=O)N)C 8a7f7c2ec9628e733fccda7324dbc8e2 [0,2,0,0,0,0|2,0,0]=4 7957 B13R0.179 CC(=CCOCCCCCC(=O)N)Cl 68d9778e687ef5f65a2d446dddcd6c4e [0,2,0,0,0,0|2,0,0]=4 7958 B13R0.179 CC(=CCOCCCCCC(=O)N)I 5bbe8a598113eeae088888b71fb6a092 [0,2,0,0,0,0|2,0,0]=4 7959 B13R0.179 CC(=CCOCCCCCC(=O)O)C c7f371943f8a3fd237d6dc5c6d82d172 [0,2,0,0,0,0|1,0,0]=3 7960 B13R0.179 CC(=CCOCCCCCC(=O)O)Cl c18cc253fe3613c4f6397f20f64cf72a [0,2,0,0,0,0|1,0,0]=3 7961 B13R0.179 CC(=CCOCCCCCC(=O)O)I 50ee5385dc70e889eec0b369a177061a [0,2,0,0,0,0|1,0,0]=3 7962 B13R0.179 CC(=CCOCCCOCC(=O)O)C 4fe027d95a65752c8c55770fd6340675 [0,2,0,0,0,0|2,0,0]=4 7963 B13R0.179 CC(=CCOCCCOCC(=O)O)I b8406e2c47acd8851632277afb4c9a6f [0,2,0,0,0,0|2,0,0]=4 7964 B13R0.179 CC(=CCOCCOCCC(=O)O)C 0f094ac18270df2cb5738df3c4e70cba [0,2,0,0,0,0|2,0,0]=4 7965 B13R0.179 CC(=CCOCCOCCC(=O)O)Cl 9ba21449e176ff164c623a00456e56c8 [0,2,0,0,0,0|2,0,0]=4 7966 B13R0.179 CC(=CCOCCOCCC(=O)O)I 84ede039984d16304903113d320028b0 [0,2,0,0,0,0|2,0,0]=4 7967 B13R0.179 CC(=O)CCCCCNCC=C(C)C 95fb7488b924f86046bb97b806e33000 [0,2,0,0,0,0|2,0,0]=4 7968 B13R0.179 CC(=O)CCCCCNCCC(=O)N c5b610d88cb830de0ec0d11a59754421 [0,2,0,0,0,0|1,0,1]=4 7969 B13R0.179 CC(=O)CCCCCNCCC(=O)O 369eec7c9f69218aba60bb3162bfa397 [0,2,0,0,0,0|0,0,1]=3 7970 B13R0.179 CC(=O)CCCCCNCCC(=S)N b1ed826dca574e5db4ec75024cb92f93 [0,2,0,0,0,0|2,0,0]=4 7971 B13R0.179 CC(=O)CCCCCNCCS(=O)O d5f9fa389f2e881ac2367750fd308ddd [0,2,0,0,0,0|1,0,1]=4 7972 B13R0.179 CC(=O)CCCCCOC/C=C(/C)\Cl cb750464810ba53c7cea59e8ed1617e1 [0,2,0,0,0,0|2,0,0]=4 7973 B13R0.179 CC(=O)CCCCCOC/C=C(/C)\I 73fa44e1f5de3b32c3103325d5b050e4 [0,2,0,0,0,0|2,0,0]=4 7974 B13R0.179 CC(=O)CCCCCOCC=C(C)C 6e97df27937a715bab7c7dcd35e03dfa [0,2,0,0,0,0|2,0,0]=4 7975 B13R0.179 CC(=O)CCCCCOCC=C(C)I c811b3551516423a8e2b80dda433d3ea [0,2,0,0,0,0|2,0,0]=4 7976 B13R0.179 CC(=O)CCCCCOCC=C(Cl)Cl 0b08c26d4dbc537cdfa7f62de1daaf7d [0,2,0,0,0,0|2,0,0]=4 7977 B13R0.179 CC(=O)CCCCCOCCC(=O)C 2a557447136f6954528300afc0536302 [0,2,0,0,0,0|1,0,1]=4 7978 B13R0.179 CC(=O)CCCCCOCCC(=O)N c3e2b27dc0d8bd769312f71705d1465c [0,2,0,0,0,0|1,0,1]=4 7979 B13R0.179 CC(=O)CCCCCOCCC(=O)O f80b6c99f9a324094f18f9c8df83f595 [0,2,0,0,0,0|0,0,1]=3 7980 B13R0.179 CC(=O)CCCCNCCCC(=O)N 43467a8275c046dfbe8befddaf9cf5d1 [0,2,0,0,0,0|1,0,1]=4 7981 B13R0.179 CC(=O)CCCCNCCCC(=O)O b9e1e141eb5607e8936ef89a1efe5f1b [0,2,0,0,0,0|0,0,1]=3 7982 B13R0.179 CC(=O)CCCCOCCC=C(C)C ebb6bcbe823965721b3f12b1009fc773 [0,2,0,0,0,0|2,0,0]=4 7983 B13R0.179 CC(=O)CCCCOCCC=C(F)F d2af23f8492f6a5e11b7117ab50801d8 [0,2,0,0,0,0|2,0,0]=4 7984 B13R0.179 CC(=O)CCCCOCCCC(=O)C 3ad0310f756ecb2668756536498c8fcc [0,2,0,0,0,0|1,0,1]=4 7985 B13R0.179 CC(=O)CCCCOCCCC(=O)N 293bc324c7e432ab9a04672672747178 [0,2,0,0,0,0|1,0,1]=4 7986 B13R0.179 CC(=O)CCCNCCCCC(=O)N 33cbd96edc5a151aed731d3674156938 [0,2,0,0,0,0|1,0,1]=4 7987 B13R0.179 CC(=O)CCCNCCCCC(=O)O 44e7fc526f8c23f7441a3e6d48011133 [0,2,0,0,0,0|0,0,1]=3 7988 B13R0.179 CC(=O)CCCNCCOCC(=O)O d526e3b5c35f11c0bcb6654c5d480b19 [0,2,0,0,0,0|1,0,1]=4 7989 B13R0.179 CC(=O)CCCNCCSCC(=O)O 1d65c33377c20872ce7cd5627f418dfe [0,2,0,0,0,0|1,0,1]=4 7990 B13R0.179 CC(=O)CCCOCCCCC(=O)N 66766ccd60ed8bea0bf4916bce227b77 [0,2,0,0,0,0|1,0,1]=4 7991 B13R0.179 CC(=O)CCCOCCCCC(=O)O e8cf65d8a59003bf5a1735a55032325c [0,2,0,0,0,0|0,0,1]=3 7992 B13R0.179 CC(=O)CCCOCCOCC(=O)O 2dddb154d88f80d9755ee22541d9e258 [0,2,0,0,0,0|1,0,1]=4 7993 B13R0.179 CC(=O)CCNCCCCCC(=O)N 83d2d6dc0df3e724781b0e180d622954 [0,2,0,0,0,0|1,0,1]=4 7994 B13R0.179 CC(=O)CCNCCCCCC(=O)O b66bfd85e3db36c30b295f9b103d75fc [0,2,0,0,0,0|0,0,1]=3 7995 B13R0.179 CC(=O)CCNCCOCCC(=O)O d860ba88a6452b7509674a07b4e0ce1b [0,2,0,0,0,0|1,0,1]=4 7996 B13R0.179 CC(=O)CCOCCCCCC(=O)N 625fd0cf760a0538a03c3e4a21b87e84 [0,2,0,0,0,0|1,0,1]=4 7997 B13R0.179 CC(=O)CCOCCCCCC(=O)O 52cdaddb208911bc88f0578f9f25b4f1 [0,2,0,0,0,0|0,0,1]=3 7998 B13R0.179 CC(=O)CCOCCCOCC(=O)O 618ed46d685287495021d04fabc6feb6 [0,2,0,0,0,0|1,0,1]=4 7999 B13R0.179 CC(=O)CCOCCOCCC(=O)O 7457ddb577a153b3ecaa7311e950390f [0,2,0,0,0,0|1,0,1]=4 8000 B13R0.179 CC(=O)NCCCCCNCC(=O)O 9a98b7a688c60fb7f559a7ca0587a033 [0,2,0,0,0,0|1,0,1]=4 8001 B13R0.179 CC(=O)NCCCCNCCC(=O)O 89de6519990b6d2021c65928f14b8099 [0,2,0,0,0,0|1,0,1]=4 8002 B13R0.179 CC(=O)NCCCNCCCC(=O)O 152791235cedbfbff35165ce791f54e7 [0,2,0,0,0,0|1,0,1]=4 8003 B13R0.179 CC(=O)NCCNCCCCC(=O)O 871211c9a7ba7930e7d21f568ab44978 [0,2,0,0,0,0|1,0,1]=4 8004 B13R0.179 CC(=O)NCCOCCCCC(=O)O a1fb6e80a94d622d5b19432d795adae3 [0,2,0,0,0,0|1,0,1]=4 8005 B13R0.179 CC(=O)OCCCCCNCC(=O)O 607f4361114442a03f304760d7081707 [0,2,0,0,0,0|1,0,1]=4 8006 B13R0.179 CC(=O)OCCCCCOCC(=O)O 6c8f615d069ac2058d3d17a34f8ad297 [0,2,0,0,0,0|1,0,1]=4 8007 B13R0.179 CC(=O)OCCCCNCCC(=O)O f350edab8ad1348f1985d9d96295a446 [0,2,0,0,0,0|1,0,1]=4 8008 B13R0.179 CC(=O)OCCCCOCCC(=O)O 62f37e9f05d2d5ccbf3caeeb1652565b [0,2,0,0,0,0|1,0,1]=4 8009 B13R0.179 CC(=O)OCCCNCCCC(=O)O 7d321214194e9f6bfeec0cbdafe4f9f9 [0,2,0,0,0,0|1,0,1]=4 8010 B13R0.179 CC(=O)OCCCOCCCC(=O)O 9e8cb2390a98344132b25d12a57970c0 [0,2,0,0,0,0|1,0,1]=4 8011 B13R0.179 CC(=O)OCCNCCCCC(=O)O a8cd9421c8735a0d6171a27aa9c4f957 [0,2,0,0,0,0|1,0,1]=4 8012 B13R0.179 CC(=O)OCCOCCCCC(=O)O e5323e79ee2cf1f5b8d99c8f0fe00179 [0,2,0,0,0,0|1,0,1]=4 8013 B13R0.179 CC(=O)OCNCCCCCC(=O)O 35652e7d3bed2990b7558a42a74155ee [0,2,0,0,0,0|1,0,1]=4 8014 B13R0.179 CC(=O)OCOCCCCCC(=O)O b41f372d75fef36c6662625468d46c92 [0,2,0,0,0,0|1,0,1]=4 8015 B13R0.179 CC(=O)SCCCCNCCC(=O)O ebf5047fb6a4b86a0dc784d48c041123 [0,2,0,0,0,0|1,0,1]=4 8016 B13R0.179 CC(=O)SCCCCOCCC(=O)O 91a2daf102577920631f1ef60bda88f4 [0,2,0,0,0,0|1,0,1]=4 8017 B13R0.179 CC(=O)SCCCNCCCC(=O)O df0a17ad66d3f080ebd40b709858ba91 [0,2,0,0,0,0|1,0,1]=4 8018 B13R0.179 CC(=O)SCCNCCCCC(=O)O 8c8b2b3ae6d747ac12179e7d8e90299c [0,2,0,0,0,0|1,0,1]=4 8019 B13R0.179 CC(=O)SCCOCCCCC(=O)O 0ab342a65c5725daa3a24ad4c1d2502c [0,2,0,0,0,0|1,0,1]=4 8020 B13R0.179 CC(=S)OCCCNCCCC(=O)O 4f182773cbdf211f61995bdbc68919bb [0,2,0,0,0,0|1,0,1]=4 8021 B13R0.179 CC(C)CCCCCCNCC(=O)O 1b8c90b0b08db363ee8d358868835aee [0,2,0,0,0,0|0,0,2]=4 8022 B13R0.179 CC(C)CCCCCCOCC(=O)O 8d2103d938c77bfb4f939c52f50b3c95 [0,2,0,0,0,0|0,0,2]=4 8023 B13R0.179 CC(C)CCCCCNCCC(=O)O ac11dd5f89c7f1fb6cd36112b1a3408c [0,2,0,0,0,0|0,0,2]=4 8024 B13R0.179 CC(C)CCCCCOCCC(=O)O 7ee59644de728b5bf8cbee321fd2403e [0,2,0,0,0,0|0,0,2]=4 8025 B13R0.179 CC(C)CCCCNCCCC(=O)O 79ec125e4584341029d3e70752328150 [0,2,0,0,0,0|0,0,2]=4 8026 B13R0.179 CC(C)CCCNCCCCC(=O)O 227d7f944f5ee831a1ba159238aaa234 [0,2,0,0,0,0|0,0,2]=4 8027 B13R0.179 CC(C)CCCOCCCCC(=O)O a1e66ff054f2143e5f523f5847297b71 [0,2,0,0,0,0|0,0,2]=4 8028 B13R0.179 CC(C)CCNCCCCCC(=O)O 729724f3f72012fa3ef699368634b3da [0,2,0,0,0,0|0,0,2]=4 8029 B13R0.179 CC(C)CCOCCCCCC(=O)O cba1eabd6d73c346d4c7a4c955ea69b0 [0,2,0,0,0,0|0,0,2]=4 8030 B13R0.179 CC(C)CNCCCCCCC(=O)O d47e1d8331fc2051a56cfedd3db0f322 [0,2,0,0,0,0|0,0,2]=4 8031 B13R0.179 CC(C)COCCCCCCC(=O)O a43c0cc6c31bbb70a9aea9db9fca7d70 [0,2,0,0,0,0|0,0,2]=4 8032 B13R0.179 CC(C)NCCCCCCCC(=O)O 102660ebd4c46a633e7cee4da3975718 [0,2,0,0,0,0|0,0,2]=4 8033 B13R0.179 CC(C)OCCCCCCCC(=O)O abd3339ecc6ef64d250891ee67b6775d [0,2,0,0,0,0|0,0,2]=4 8034 B13R0.179 CC(O)CCCNCCCCC(=O)O dc45622694d5b41af8b38041c82a59a2 [0,2,0,0,0,0|0,0,2]=4 8035 B13R0.179 CC(O)CCNCCCCCC(=O)O bac108ec00ab50d4c4a248dd43b5277c [0,2,0,0,0,0|0,0,2]=4 8036 B13R0.179 CC(O)CNCCCCCCC(=O)O d3792fded51856a1e32ae2153b3df6ba [0,2,0,0,0,0|0,0,2]=4 8037 B13R0.179 CN(C)CCCCCCNCC(=O)O f31bec4c511538de2c72269b3636333c [0,2,0,0,0,0|1,0,1]=4 8038 B13R0.179 CN(C)CCCCCCOCC(=O)O fea6bcc979eb9ce2ca47bb6ade7b3546 [0,2,0,0,0,0|1,0,1]=4 8039 B13R0.179 CN(C)CCCCCNCCC(=O)O a53a232b262ed26cf4121bb488fe6306 [0,2,0,0,0,0|1,0,1]=4 8040 B13R0.179 CN(C)CCCCCOCCC(=O)O 0215598314f8e2c6c401f3f2ce728ed7 [0,2,0,0,0,0|1,0,1]=4 8041 B13R0.179 CN(C)CCCCNCCCC(=O)O b30afd25aa8f47dab6220f0ba1879a9c [0,2,0,0,0,0|1,0,1]=4 8042 B13R0.179 CN(C)CCCNCCCCC(=O)O 8624e7e36ddf625f0a0be1e925379dd1 [0,2,0,0,0,0|1,0,1]=4 8043 B13R0.179 CN(C)CCCOCCCCC(=O)O 71e7e3a39b73aa817adb6433652580ad [0,2,0,0,0,0|1,0,1]=4 8044 B13R0.179 CN(C)CCNCCCCCC(=O)O 6d7207214a8cc279cfd1293547d89dc0 [0,2,0,0,0,0|1,0,1]=4 8045 B13R0.179 CN(C)CCOCCCCCC(=O)O a8403a0b178a1ebd047943d0c292d4cd [0,2,0,0,0,0|1,0,1]=4 8046 B13R0.179 CN(C)CNCCCCCCC(=O)O c00c0704c04fe3650923e29fee5fd38d [0,2,0,0,0,0|1,0,1]=4 8047 B13R0.179 CN(C)COCCCCCCC(=O)O 1075fd1050a405e347cc81e0b47b7ea8 [0,2,0,0,0,0|1,0,1]=4 8048 B13R0.179 CS(=O)CCNCCCCCC(=O)O 1de7c545594274ad4bb4d8797cdde9c4 [0,2,0,0,0,0|1,0,1]=4 8049 B13R0.179 CS(=O)CCOCCCCCC(=O)O f3cd47a6825b7c74f376b027ec2b1dfb [0,2,0,0,0,0|1,0,1]=4 8050 B13R0.179 C[C@@H](O)CNCCCCCCC(=O)O 6363b4ef0c13454441903321553a3c09 [0,2,0,0,0,0|0,0,2]=4 8051 B13R0.179 C[C@H](O)CNCCCCCCC(=O)O 78710d06e18008dbc445f874aa57e851 [0,2,0,0,0,0|0,0,2]=4 8052 B13R0.179 NC(=O)CCCCCCOCC(=O)N 4e7f8c43f305c48aad862d3fcb2ef4d8 [0,2,0,0,0,0|2,0,0]=4 8053 B13R0.179 NC(=O)CCCCCCOCC(=O)O b58569359d97eac150f77285f157e307 [0,2,0,0,0,0|1,0,0]=3 8054 B13R0.179 NC(=O)CCCCCNCC=C(Cl)Cl 457bca30c0d38615e337a3591a003128 [0,2,0,0,0,0|2,0,0]=4 8055 B13R0.179 NC(=O)CCCCCNCCC(=O)N 635f1fc2afe7add195b7c1def7233f0b [0,2,0,0,0,0|2,0,0]=4 8056 B13R0.179 NC(=O)CCCCCNCCC(=O)O 8af6e46a0998687aad31dff24b3ec0e6 [0,2,0,0,0,0|1,0,0]=3 8057 B13R0.179 NC(=O)CCCCCNCCC(=S)N 6a5ca538c47ec42c0850b4ecc5f9152b [0,2,0,0,0,0|2,0,0]=4 8058 B13R0.179 NC(=O)CCCCCNCCS(=O)O 72a79d3ae8983b541f3cb58b3bb1fb3b [0,2,0,0,0,0|2,0,0]=4 8059 B13R0.179 NC(=O)CCCCCOCC=C(Cl)Cl 15cefd0aa94d3071becbad82ef3c9975 [0,2,0,0,0,0|2,0,0]=4 8060 B13R0.179 NC(=O)CCCCCOCCC(=O)N 59d3933ecb63f458dae27c7ea8eaf60a [0,2,0,0,0,0|2,0,0]=4 8061 B13R0.179 NC(=O)CCCCCOCCC(=O)O 7eb0b19ac8824400240c52e46e2f720e [0,2,0,0,0,0|1,0,0]=3 8062 B13R0.179 NC(=O)CCCCNCCC=C(F)F cb3ea3aa8a2ce56f60b99fc81b9d78b0 [0,2,0,0,0,0|2,0,0]=4 8063 B13R0.179 NC(=O)CCCCNCCCC(=O)N 4dc7e27330566aff2338d0279da3b033 [0,2,0,0,0,0|2,0,0]=4 8064 B13R0.179 NC(=O)CCCCOCCC=C(F)F 15ec04dd83222d7ffc1785764e275105 [0,2,0,0,0,0|2,0,0]=4 8065 B13R0.179 NC(=O)CCCCOCCCC(=O)N 6246504aea58505e7527c182c302b339 [0,2,0,0,0,0|2,0,0]=4 8066 B13R0.179 NC(=O)CCCNCCCCC(=O)O 440d6798440743c68352fdf4424a4f86 [0,2,0,0,0,0|1,0,0]=3 8067 B13R0.179 NC(=O)CCCNCCOCC(=O)O 82b0dd69e864f2cf7abd1c5140b9566a [0,2,0,0,0,0|2,0,0]=4 8068 B13R0.179 NC(=O)CCCNCCSCC(=O)O e37c26d79a6baab9447c1d094abe12fe [0,2,0,0,0,0|2,0,0]=4 8069 B13R0.179 NC(=O)CCCOCCOCC(=O)O 2b093f012db968bfdfccfbccd8a6756e [0,2,0,0,0,0|2,0,0]=4 8070 B13R0.179 NC(=O)CCNCCCCCC(=O)O 6a3735394fe35b0e5d56a65670661250 [0,2,0,0,0,0|1,0,0]=3 8071 B13R0.179 NC(=O)CCNCCCOCC(=O)O 486e93aac1e4b2041c031775bf9bc3dc [0,2,0,0,0,0|2,0,0]=4 8072 B13R0.179 NC(=O)CCNCCOCCC(=O)O 27d1c6b7815e778d83c76b44dc2c5e13 [0,2,0,0,0,0|2,0,0]=4 8073 B13R0.179 NC(=O)CCOCCCCCC(=O)O 769efc0209d29b54fd95004d1aeb25d5 [0,2,0,0,0,0|1,0,0]=3 8074 B13R0.179 NC(=O)CCOCCCOCC(=O)O 5bf7626bfc4e1ff4ee7381f33e73791d [0,2,0,0,0,0|2,0,0]=4 8075 B13R0.179 NC(=O)CCOCCOCCC(=O)O 9c2abdeb847e629a319b444a1af6437a [0,2,0,0,0,0|2,0,0]=4 8076 B13R0.179 NC(=O)CCSCCCNCC(=O)O c5b9e90fa3dbce0851f5c0a80f2d043d [0,2,0,0,0,0|2,0,0]=4 8077 B13R0.179 NC(=O)CNCCCCCCC(=O)O 411a4846aba4a57f92ada6f987e1e161 [0,2,0,0,0,0|1,0,0]=3 8078 B13R0.179 NC(=O)COCCCCCCC(=O)O cdca874796f6f8a9fc7c4945b324cde9 [0,2,0,0,0,0|1,0,0]=3 8079 B13R0.179 NC(=O)CSCCOCCCC(=O)O 1d3aed64e43213fe43dd92385b4fe6b0 [0,2,0,0,0,0|2,0,0]=4 8080 B13R0.179 NC(=O)NCCNCCCCC(=O)O 8e357a50229284f83f163b8cbb865b2a [0,2,0,0,0,0|2,0,0]=4 8081 B13R0.179 NC(=O)NCCOCCCCC(=O)O 4c99ed768a3fff97cd605c3f19588cc9 [0,2,0,0,0,0|2,0,0]=4 8082 B13R0.179 NC(=S)CCNCCCCCC(=O)O 2dd6d4f51351dcf0ad352cd5f178142f [0,2,0,0,0,0|1,0,0]=3 8083 B13R0.179 NC(=S)CCNCCCOCC(=O)O d068b816521312604aa3cdb1d7ab5558 [0,2,0,0,0,0|2,0,0]=4 8084 B13R0.179 NC(=S)CCNCCOCCC(=O)O 0025abdddb95d670bad46b7a3e213f6e [0,2,0,0,0,0|2,0,0]=4 8085 B13R0.179 NC(=S)COCCCOCCC(=O)O 8e3eb07f874df1252d90547f0fc68192 [0,2,0,0,0,0|2,0,0]=4 8086 B13R0.179 NC(=S)NCCNCCCCC(=O)O 7353a11df814c8fb97f9ea4b5f112200 [0,2,0,0,0,0|2,0,0]=4 8087 B13R0.179 NC(=S)NCCOCCCCC(=O)O d03239bd69aeb38a113a2ae700c59523 [0,2,0,0,0,0|2,0,0]=4 8088 B13R0.179 O=C(O)/C=C/CNCCCCC(=O)O 5f76b0bfe1a2284f9e89426d4f13dc2b [0,2,0,0,0,0|1,0,1]=4 8089 B13R0.179 O=C(O)/C=C/COCCCCC(=O)O 59e25281e88677cb2ee55f5559277a70 [0,2,0,0,0,0|1,0,1]=4 8090 B13R0.179 O=C(O)C=CCNCCCCC(=O)O 1497e5364eabb32c2fe62ac20e712a7f [0,2,0,0,0,0|1,0,1]=4 8091 B13R0.179 O=C(O)C=CCOCCCCC(=O)O df4ded8a8c915822bfb7662226d0fc78 [0,2,0,0,0,0|1,0,1]=4 8092 B13R0.179 O=C(O)CCCCCCNCC(=O)O 6baa89c473b47995faea3fe3b8dd8684 [0,2,0,0,0,0|1,0,0]=3 8093 B13R0.179 O=C(O)CCCCCCNCC(F)F f3eb423a831ac64981636b3a9de85c37 [0,2,0,0,0,0|1,0,1]=4 8094 B13R0.179 O=C(O)CCCCCCNC[N+](=O)[O-] 309763131c21054ec06c061f7e491cb9 [0,2,0,0,0,0|2,0,0]=4 8095 B13R0.179 O=C(O)CCCCCCOCC(=O)O f250971fa333b14c5ec1343efe63caf0 [0,2,0,0,0,0|1,0,0]=3 8096 B13R0.179 O=C(O)CCCCCCOCC(F)F 0dc0b0006144c39f4f26b98bebe9ca91 [0,2,0,0,0,0|1,0,1]=4 8097 B13R0.179 O=C(O)CCCCCCOC[N+](=O)[O-] 4b09e209e9df83693623f063b78494d3 [0,2,0,0,0,0|2,0,0]=4 8098 B13R0.179 O=C(O)CCCCCNCC=C(Cl)Cl e699ed891e46a37bac941c4d260f1dd0 [0,2,0,0,0,0|1,0,0]=3 8099 B13R0.179 O=C(O)CCCCCNCCC(=O)O c4ff79311ee23cce2a8c335b4e2a13da [0,2,0,0,0,0|1,0,0]=3 8100 B13R0.179 O=C(O)CCCCCNCCC(F)F 6861f4f57e69e47e34b284eef28320e6 [0,2,0,0,0,0|1,0,1]=4 8101 B13R0.179 O=C(O)CCCCCOCC=C(Cl)Cl a5da932ce28f33cec2f2c70536f5c089 [0,2,0,0,0,0|1,0,0]=3 8102 B13R0.179 O=C(O)CCCCCOCCC(=O)O 818a1afb4275c65727334623eb6103e0 [0,2,0,0,0,0|1,0,0]=3 8103 B13R0.179 O=C(O)CCCCCOCCC(F)F 349f3a55ce25e8c36f8dfe2a74c03002 [0,2,0,0,0,0|1,0,1]=4 8104 B13R0.179 O=C(O)CCCCCOCC[N+](=O)[O-] f7c422b39606662a7ed7ef92121aebde [0,2,0,0,0,0|2,0,0]=4 8105 B13R0.179 O=C(O)CCCCNCCC=C(F)F 8158cd87df03c96e58f094f65e041fb8 [0,2,0,0,0,0|1,0,0]=3 8106 B13R0.179 O=C(O)CCCCNCCCC(=O)O d529e762bd3d7d08ec50763e1248fe74 [0,2,0,0,0,0|1,0,0]=3 8107 B13R0.179 O=C(O)CCCCOCCC=C(F)F 9fe76534b86dc25fb5549e4a4a5137f6 [0,2,0,0,0,0|1,0,0]=3 8108 B13R0.179 O=C(O)CCCCOCCCC(=O)O 1527dc8dac6597283982c9e68d88b590 [0,2,0,0,0,0|1,0,0]=3 8109 B13R0.179 O=C(O)CCCCOCCC[N+](=O)[O-] 77e6d150e8cba1051af54692fbb62bd7 [0,2,0,0,0,0|2,0,0]=4 8110 B13R0.179 O=C(O)CCCNCCCCC(F)F 04a40c42379fa3fca45861a09a511f32 [0,2,0,0,0,0|1,0,1]=4 8111 B13R0.179 O=C(O)CCCNCCOCC(=O)O b58e3c0fe4bd31ba8d06237f66ac0ae3 [0,2,0,0,0,0|2,0,0]=4 8112 B13R0.179 O=C(O)CCCOCCCC[N+](=O)[O-] 00f446600d456629ecb9a07905afe675 [0,2,0,0,0,0|2,0,0]=4 8113 B13R0.179 O=C(O)CCCOCCOCC(=O)O 7ddaab0e0bd0977a53074f5ba5025188 [0,2,0,0,0,0|2,0,0]=4 8114 B13R0.179 O=C(O)CCNCCCCCC(F)F 87781cb1d7ab1506ad8fcabaaa1b7add [0,2,0,0,0,0|1,0,1]=4 8115 B13R0.179 O=C(O)CCNCCCOCC(=O)O fb99ac0873e96fccf463b56496f43e3a [0,2,0,0,0,0|2,0,0]=4 8116 B13R0.179 O=C(O)CCNCCOCCC(=O)O d2cdb03aa95dbb064471798bb0b5c42e [0,2,0,0,0,0|2,0,0]=4 8117 B13R0.179 O=C(O)CCOCCCCCC(F)F e50ac264907f618923a2b50876f6df9a [0,2,0,0,0,0|1,0,1]=4 8118 B13R0.179 O=C(O)CCOCCCOCC(=O)O b2eefe777093d1d25f5c532588cb447d [0,2,0,0,0,0|2,0,0]=4 8119 B13R0.179 O=C(O)CCOCCNCC=C(Cl)Cl 6090b4bc642588a8ce6fa8a740acdc5a [0,2,0,0,0,0|2,0,0]=4 8120 B13R0.179 O=C(O)CCOCCOCC=C(Cl)Cl 219eec2e10f755127177a53441f3ad39 [0,2,0,0,0,0|2,0,0]=4 8121 B13R0.179 O=C(O)CCOCCOCCC(=O)O f2954ed33fed18539ef0cd16a307ebc7 [0,2,0,0,0,0|2,0,0]=4 8122 B13R0.179 O=C(O)COCCCOCC=C(Cl)Cl 7d5ca7cbf19356233d646bb4902c6434 [0,2,0,0,0,0|2,0,0]=4 8123 B13R0.179 O=C(O)COCCNCCC=C(F)F fa5c42c3b92022385d8e996f39a28d66 [0,2,0,0,0,0|2,0,0]=4 8124 B13R0.179 O=C(O)COCCOCCC=C(F)F 51e3219f26856bba07e44c4f313991a3 [0,2,0,0,0,0|2,0,0]=4 8125 B13R0.179 O=C(O)CSCCNCCC=C(F)F 5b8074aef60223747af842a690fd7460 [0,2,0,0,0,0|2,0,0]=4 8126 B13R0.202 C#CC(C)NCCCCCCC(=O)O c59daf645c064189cf1e21e8ac42b14a [0,2,0,0,0,0|0,0,2]=4 8127 B13R0.202 C#CC(O)CCCCCNCC(=O)O 03f9f981741f9a267c52b00dbd43e595 [0,2,0,0,0,0|0,0,2]=4 8128 B13R0.202 C#C[C@@H](C)NCCCCCCC(=O)O 2b8e5efde70eedc3d2f9939cbd2dd554 [0,2,0,0,0,0|0,0,2]=4 8129 B13R0.202 C#C[C@H](C)NCCCCCCC(=O)O 53b6c835ad58d7bf073b7f349b53fbb9 [0,2,0,0,0,0|0,0,2]=4 8130 B13R0.202 C/C(=C\I)/COCCCCCC(=O)N 5113f5cae8ae690ab055082600e378a8 [0,2,0,0,0,0|2,0,0]=4 8131 B13R0.202 C/C(=C\I)/COCCCCCC(=O)O 0f2a2a3ab5c0f8b236668d8fa6b985e6 [0,2,0,0,0,0|1,0,0]=3 8132 B13R0.202 C/C(=C\I)/COCCCOCC(=O)O d30c851ab21ebede73e599af1a374381 [0,2,0,0,0,0|2,0,0]=4 8133 B13R0.202 C/C(=C\I)/COCCOCCC(=O)O 358170e05abfe701c3d0316100a1fefc [0,2,0,0,0,0|2,0,0]=4 8134 B13R0.202 C=C(Br)CCOCCCCC(=O)CC b5b7f738e71462940de0841366d73cfd [0,2,0,0,0,0|2,0,0]=4 8135 B13R0.202 C=C(Br)CCOCCCCC(=O)OC bacb983a287aeebac0a1f2cd67f7c8bd [0,2,0,0,0,0|1,0,0]=3 8136 B13R0.202 C=C(Br)CCOCCOCC(=O)OC eadd36e2cc2167eb5ab69a3811b4b412 [0,2,0,0,0,0|2,0,0]=4 8137 B13R0.202 C=C(Br)CNCCCCCC(=O)OC 1fcecef644a639b1c0187afb5940ecc0 [0,2,0,0,0,0|1,0,0]=3 8138 B13R0.202 C=C(Br)CNCCCOCC(=O)OC 68a87979c4036bb2768dc2f4f6d346b8 [0,2,0,0,0,0|2,0,0]=4 8139 B13R0.202 C=C(Br)CNCCCSCC(=O)OC 00fc3e9372f7584398e3ef2572456ecc [0,2,0,0,0,0|2,0,0]=4 8140 B13R0.202 C=C(Br)COCCCCCC(=O)OC bc645ebf4a16d7ed53fa26120f08a268 [0,2,0,0,0,0|1,0,0]=3 8141 B13R0.202 C=C(Br)COCCCOCC(=O)OC cb89bacb9bee33704ae19ad8c2a2e019 [0,2,0,0,0,0|2,0,0]=4 8142 B13R0.202 C=C(Br)COCCOCCC(=O)OC 887c14dae1f9dca9b9d36d4038e3b6dd [0,2,0,0,0,0|2,0,0]=4 8143 B13R0.202 C=C(C#N)CNCCCCCC(=O)N 232ba5abfc99d5825b9cd0e0832b08d1 [0,2,0,0,0,0|2,0,0]=4 8144 B13R0.202 C=C(C#N)CNCCCCCC(=O)O 0ec20da118fefd5c156918045c8fb7f0 [0,2,0,0,0,0|1,0,0]=3 8145 B13R0.202 C=C(C#N)CNCCOCCC(=O)O 723d73fa7702b93a084e56bf86bab532 [0,2,0,0,0,0|2,0,0]=4 8146 B13R0.202 C=C(C#N)COCCCCCC(=O)C 5dbf65a3cdf7af22999ed55bd6f1afa5 [0,2,0,0,0,0|2,0,0]=4 8147 B13R0.202 C=C(C#N)COCCCCCC(=O)N 83755c2de7884356fa4575b99c9e40b1 [0,2,0,0,0,0|2,0,0]=4 8148 B13R0.202 C=C(C#N)COCCCCCC(=O)O 5b7f012422d3f54d5626d1f4014d771e [0,2,0,0,0,0|1,0,0]=3 8149 B13R0.202 C=C(C#N)COCCCOCC(=O)O 89a53782a18a66f056c84871084a047e [0,2,0,0,0,0|2,0,0]=4 8150 B13R0.202 C=C(C#N)COCCOCCC(=O)O f13b90fc56e9ecaa65726a5cc2d4dfdf [0,2,0,0,0,0|2,0,0]=4 8151 B13R0.202 C=C(C)CCCNCCCC(=O)OC 31457cc117f34daa9f16eb798c0c17b1 [0,2,0,0,0,0|1,0,0]=3 8152 B13R0.202 C=C(C)CCCOCCCC(=O)NC b102cb5ad32b5985065409ecf5336025 [0,2,0,0,0,0|2,0,0]=4 8153 B13R0.202 C=C(C)CCCOCCCC(=O)OC 06c37d0faa0da090f013e56e2a75f2d7 [0,2,0,0,0,0|1,0,0]=3 8154 B13R0.202 C=C(C)CCCOCCOC(=O)OC 5f40e34f8ebdcc1f473c1e829a5f62ba [0,2,0,0,0,0|2,0,0]=4 8155 B13R0.202 C=C(C)CCNCCCCC(=O)CC 5b35fd4762e1813e1c18cbea48cf9dac [0,2,0,0,0,0|2,0,0]=4 8156 B13R0.202 C=C(C)CCNCCCCC(=O)OC 085a8ba60952cc75d88503fce66373b6 [0,2,0,0,0,0|1,0,0]=3 8157 B13R0.202 C=C(C)CCNCCOCC(=O)OC 3ce5ff18f7e737f37f31cd8539807c7a [0,2,0,0,0,0|2,0,0]=4 8158 B13R0.202 C=C(C)CCOCCCCC(=O)CC ec9f0d6380f6bda9e4d507b2940618d5 [0,2,0,0,0,0|2,0,0]=4 8159 B13R0.202 C=C(C)CCOCCCCC(=O)OC 0dbfd93babd720957f28c10d8ae0b3f9 [0,2,0,0,0,0|1,0,0]=3 8160 B13R0.202 C=C(C)CCOCCOCC(=O)OC eef19bb8b21d2aca9a31a3f1a8ea8c4b [0,2,0,0,0,0|2,0,0]=4 8161 B13R0.202 C=C(C)CNCCCCCC(=O)OC 64a3ef9153a22b2686707fb8d366a1c1 [0,2,0,0,0,0|1,0,0]=3 8162 B13R0.202 C=C(C)CNCCCOCC(=O)OC 87742e2baecdaecf167c4ad4319e832d [0,2,0,0,0,0|2,0,0]=4 8163 B13R0.202 C=C(C)CNCCCSCC(=O)OC f9278178137efe60964904564b8002b8 [0,2,0,0,0,0|2,0,0]=4 8164 B13R0.202 C=C(C)COCCCCCC(=O)OC 57c17259f19ea304d764e5619ae5273d [0,2,0,0,0,0|1,0,0]=3 8165 B13R0.202 C=C(C)COCCCOCC(=O)OC 4c5590eccca73c92c2e0d297e26f0552 [0,2,0,0,0,0|2,0,0]=4 8166 B13R0.202 C=C(C)COCCCSCC(=O)OC 73515cefbe32cfa419e1d7d1eb4113eb [0,2,0,0,0,0|2,0,0]=4 8167 B13R0.202 C=C(C)COCCOCCC(=O)OC fd8a93e02de70efdc7bea7d73152a31e [0,2,0,0,0,0|2,0,0]=4 8168 B13R0.202 C=C(C=O)OCCCCCCC(=O)O fa3b20e3175346df6bca7cc282d5141c [0,2,0,0,0,0|1,0,0]=3 8169 B13R0.202 C=C(CC)CNCCCCCC(=O)N c89e2b9cfe9704429aead97f938d107e [0,2,0,0,0,0|2,0,0]=4 8170 B13R0.202 C=C(CC)CNCCCCCC(=O)O ec4f4c22514d1f43873b3b0b3b341f9e [0,2,0,0,0,0|1,0,0]=3 8171 B13R0.202 C=C(CC)CNCCOCCC(=O)O 6acdbf5ef915f599921c8c7167ede1c4 [0,2,0,0,0,0|2,0,0]=4 8172 B13R0.202 C=C(CC)COCCCCCC(=O)N f96356554f87da1d3098239980d2206a [0,2,0,0,0,0|2,0,0]=4 8173 B13R0.202 C=C(CC)COCCCCCC(=O)O 9801c7c88b1aa80db46e937c477737bd [0,2,0,0,0,0|1,0,0]=3 8174 B13R0.202 C=C(CC)COCCOCCC(=O)O 16a15b0252e26a46d304c99f4aa681dd [0,2,0,0,0,0|2,0,0]=4 8175 B13R0.202 C=C(CNCCCCCC(=O)N)OC 57ff7df63fae2a2d6ffef0c3b3daa6a7 [0,2,0,0,0,0|2,0,0]=4 8176 B13R0.202 C=C(CNCCCCCC(=O)O)OC 7ed5dc15eb3688226cfa709fa8aa82e8 [0,2,0,0,0,0|1,0,0]=3 8177 B13R0.202 C=C(CNCCOCCC(=O)O)OC 8bf14a563f30a08376bc747d13482a7b [0,2,0,0,0,0|2,0,0]=4 8178 B13R0.202 C=C(CO)CNCCCCCC(=O)N 292917cb32c0480b062b95ec046634b9 [0,2,0,0,0,0|2,0,0]=4 8179 B13R0.202 C=C(CO)CNCCCCCC(=O)O e2bb0f862b111a0bed422285b81b2c43 [0,2,0,0,0,0|1,0,0]=3 8180 B13R0.202 C=C(CO)CNCCOCCC(=O)O 4880a88e9f7aa46053e28be4b6efbc17 [0,2,0,0,0,0|2,0,0]=4 8181 B13R0.202 C=C(COCCCCCC(=O)N)OC f8a86affc38e31ca9931d407bd42b302 [0,2,0,0,0,0|2,0,0]=4 8182 B13R0.202 C=C(COCCCCCC(=O)O)OC b7037cda379b72ff5ee6ac2eb58e842b [0,2,0,0,0,0|1,0,0]=3 8183 B13R0.202 C=C(COCCOCCC(=O)O)OC e8f1b5860ab6ce9d6144c37710f62dc0 [0,2,0,0,0,0|2,0,0]=4 8184 B13R0.202 C=C(Cl)CNCCCCCC(=O)OC b49428bf48039cefddd0d30640a27501 [0,2,0,0,0,0|1,0,0]=3 8185 B13R0.202 C=C(Cl)COCCCCCC(=O)OC 3c2288edd69acf11ebc37c7a032faaa0 [0,2,0,0,0,0|1,0,0]=3 8186 B13R0.202 C=C(Cl)COCCCOCC(=O)OC 7f48efc29bf7ccb5bca1c1a79043ebef [0,2,0,0,0,0|2,0,0]=4 8187 B13R0.202 C=C(Cl)COCCCSCC(=O)OC 8f1364b5d43e44197332c61ab2e98155 [0,2,0,0,0,0|2,0,0]=4 8188 B13R0.202 C=C(Cl)COCCOCCC(=O)OC 20ad6342099f2065fb6543fe8a9bf6ad [0,2,0,0,0,0|2,0,0]=4 8189 B13R0.202 C=C(F)CNCCCCCC(=O)OC be96a1c477fb77c3b9eb62bf29b93133 [0,2,0,0,0,0|1,0,0]=3 8190 B13R0.202 C=C(F)COCCCCCC(=O)OC 67eeec51d51eb19e0d683c55a88c841e [0,2,0,0,0,0|1,0,0]=3 8191 B13R0.202 C=C(F)COCCCOCC(=O)OC 8cc1eb06add0ad7aebb1e6aa738812ee [0,2,0,0,0,0|2,0,0]=4 8192 B13R0.202 C=C(F)COCCOCCC(=O)OC ff7ca21b50b1f07ad80e4313bfc676ce [0,2,0,0,0,0|2,0,0]=4 8193 B13R0.202 C=C(I)COCCCCCC(=O)OC e39d7f7dff844903c648f6d5f0d2359e [0,2,0,0,0,0|1,0,0]=3 8194 B13R0.202 C=C(I)COCCCOCC(=O)OC 7252a1627c2a173ed1fe4be5034d61ea [0,2,0,0,0,0|2,0,0]=4 8195 B13R0.202 C=C(I)COCCCSCC(=O)OC b72934593f46136a694d793da1efd759 [0,2,0,0,0,0|2,0,0]=4 8196 B13R0.202 C=CC(=O)CCCNCCCC(=O)N 5614db509f0621c635278ded92fab070 [0,2,0,0,0,0|1,0,1]=4 8197 B13R0.202 C=CC(=O)CCCNCCCC(=O)O cc62e930f65ae8ce0978e39cf3ca610a [0,2,0,0,0,0|0,0,1]=3 8198 B13R0.202 C=CC(=O)CCCOCCCC(=C)C 0b1915b30a92ee6fadeb9f0f9a7a06f6 [0,2,0,0,0,0|2,0,0]=4 8199 B13R0.202 C=CC(=O)CCCOCCCC(=O)C a79996750392c0ff616e86e5d018888f [0,2,0,0,0,0|1,0,1]=4 8200 B13R0.202 C=CC(=O)CCCOCCCC(=O)N e21b6560427004505cab7be1dbf2c266 [0,2,0,0,0,0|1,0,1]=4 8201 B13R0.202 C=CC(=O)NCCCCOCC(=O)O 9112067b18f0674b41a08b1dff66fc16 [0,2,0,0,0,0|1,0,1]=4 8202 B13R0.202 C=CC(=O)NCCCOCCC(=O)O 98fc15f6874595b419180daa35c1fb66 [0,2,0,0,0,0|1,0,1]=4 8203 B13R0.202 C=CC(=O)NCCNCCCC(=O)O 5ee483f7d38272e3e8fd10438dcb041d [0,2,0,0,0,0|1,0,1]=4 8204 B13R0.202 C=CC(=O)NCCOCCCC(=O)O c4d8ff5fa5e23ef0c3ae555bc8b92d12 [0,2,0,0,0,0|1,0,1]=4 8205 B13R0.202 C=CC(=O)NCOCCCCC(=O)O 62a8d4fbe187adb16d7c2753779a9cf4 [0,2,0,0,0,0|1,0,1]=4 8206 B13R0.202 C=CC(=O)OCCCCOCC(=O)O b126aa4547e3c4518351df455205a025 [0,2,0,0,0,0|1,0,1]=4 8207 B13R0.202 C=CC(=O)OCCNCCCC(=O)O e763ff722d303dd433c6e37a0732253f [0,2,0,0,0,0|1,0,1]=4 8208 B13R0.202 C=CC(=O)OCCOCCCC(=O)O fb1fa45a28e96ef95a7a5f8d42d33b22 [0,2,0,0,0,0|1,0,1]=4 8209 B13R0.202 C=CC(C)COCCCCCC(=O)C 849f17c7742d87ee59a1c40b2720a93b [0,2,0,0,0,0|1,0,0]=3 8210 B13R0.202 C=CC(C)COCCCCCC(=O)N 0f7fce7384a09bbe684de642c648c1be [0,2,0,0,0,0|1,0,0]=3 8211 B13R0.202 C=CC(C)COCCCCCC(=O)O 3fcb8ffc1eec79c5b284a3177ef10575 [0,2,0,0,0,0|0,0,0]=2 8212 B13R0.202 C=CC(C)COCCCCOC(=O)C 18fe48a3cc39c3ba7bd43a8fa99e0db7 [0,2,0,0,0,0|2,0,0]=4 8213 B13R0.202 C=CC(C)COCCCCSC(=O)C adaee0f8a7f2a8dbebf3e2dd188aeb10 [0,2,0,0,0,0|2,0,0]=4 8214 B13R0.202 C=CC(C)COCCCOCC(=O)O e17066ff0a47d559c27a59c6fdf07397 [0,2,0,0,0,0|1,0,0]=3 8215 B13R0.202 C=CC(C)COCCOCCC(=O)O 02db6a9ea5a6d2a9a050cdfdcf2e0159 [0,2,0,0,0,0|1,0,0]=3 8216 B13R0.202 C=CC(C)NCCCCCCC(=O)O 9c5e4cfe02d729a9ce8265883d8d340c [0,2,0,0,0,0|0,0,0]=2 8217 B13R0.202 C=CC(C)NCCCCCNC(=O)C 57531b8d29b67709de5aceb0e5ec36b2 [0,2,0,0,0,0|2,0,0]=4 8218 B13R0.202 C=CC(C)NCCCCCOC(=O)C 45d11fb472f13a70fafc7e8a11862bb5 [0,2,0,0,0,0|2,0,0]=4 8219 B13R0.202 C=CC(C)NCCCSCCC(=O)N d46735f2126d782d52a72d7426ea8100 [0,2,0,0,0,0|2,0,0]=4 8220 B13R0.202 C=CC(C)NCCSSCCC(=O)O 4a216f034be2322573be9a33eb1c2664 [0,2,0,0,0,0|2,0,0]=4 8221 B13R0.202 C=CC(C)OCCCCCCC(=O)N 9397759466e7b912244d9d058cc1bf88 [0,2,0,0,0,0|1,0,0]=3 8222 B13R0.202 C=CC(C)OCCCCCCC(=O)O 23c21a0b60a50cca702e4553d1852941 [0,2,0,0,0,0|0,0,0]=2 8223 B13R0.202 C=CC(C)OCCCCCOC(=O)C b79361ca473cd23c38a3078244bd0353 [0,2,0,0,0,0|2,0,0]=4 8224 B13R0.202 C=CC(C)OCCSSCCC(=O)O 4467c2f54515947667c9cc4dea8f87ee [0,2,0,0,0,0|2,0,0]=4 8225 B13R0.202 C=CC(O)CNCCCCCC(=O)C 62576549837dc2983e4c69e3f183974d [0,2,0,0,0,0|1,0,0]=3 8226 B13R0.202 C=CC(O)CNCCCCCC(=O)N 4ba700a5cd55a95b0d8fbd47e6ce856e [0,2,0,0,0,0|1,0,0]=3 8227 B13R0.202 C=CC(O)CNCCCCCC(=O)O bd7f6f543631989408fdbec666daceaa [0,2,0,0,0,0|0,0,0]=2 8228 B13R0.202 C=CC(O)CNCCCCOC(=O)C 53009c758f00d943118bfe70ddd28755 [0,2,0,0,0,0|2,0,0]=4 8229 B13R0.202 C=CC(O)CNCCCCSC(=O)C a11836fec2704e5c1062dca37a40f553 [0,2,0,0,0,0|2,0,0]=4 8230 B13R0.202 C=CC(O)CNCCCOCC(=O)O 6f2cd2c935ec28b71ab228613eac554e [0,2,0,0,0,0|1,0,0]=3 8231 B13R0.202 C=CC(O)CNCCOCCC(=O)O bde3c6cf955c71d56130c49cc1b97b94 [0,2,0,0,0,0|1,0,0]=3 8232 B13R0.202 C=C[C@H](C)OCCCCCCC(=O)O c5ee73a0e47c79ff26cda2ab42f9c2f4 [0,2,0,0,0,0|0,0,0]=2 8233 B13R0.202 C=C[C@H](C)OCCCCCOC(=O)C 602d824a18335d2cbbc445663f397f25 [0,2,0,0,0,0|2,0,0]=4 8234 B13R0.202 CC(=CI)COCCCCCC(=O)N a34ecd521302b702a21513e3f93f27ee [0,2,0,0,0,0|2,0,0]=4 8235 B13R0.202 CC(=CI)COCCCCCC(=O)O 616a46dd12a863a4ade9f46b8b058f46 [0,2,0,0,0,0|1,0,0]=3 8236 B13R0.202 CC(=CI)COCCCOCC(=O)O 1cbad67ec74e85b0bb5e70e87ce375fa [0,2,0,0,0,0|2,0,0]=4 8237 B13R0.202 CC(=CI)COCCOCCC(=O)O c373222591326f15b805a115a4ae121b [0,2,0,0,0,0|2,0,0]=4 8238 B13R0.202 CC(=O)CCCCCNCC(=O)NO a1fafe9da221e6d40f9d6112b807e27b [0,2,0,0,0,0|1,0,1]=4 8239 B13R0.202 CC(=O)CCCCCOC/C(=C/I)/C 423e68ab51a815c7fa93f01397142db8 [0,2,0,0,0,0|2,0,0]=4 8240 B13R0.202 CC(=O)CCCCCOCC(=CI)C fcd5dd3b806f7a3398e65ede4ea2469b [0,2,0,0,0,0|2,0,0]=4 8241 B13R0.202 CC(=O)CCCCNCCC(=O)NO d3dfbb57d87c66747164e2ac88e771b4 [0,2,0,0,0,0|1,0,1]=4 8242 B13R0.202 CC(C#N)CNCCCCCC(=O)O bfc31333d78cd74f0ffdc93ff62500a8 [0,2,0,0,0,0|1,0,1]=4 8243 B13R0.202 CC(C#N)COCCCCCC(=O)O 97f75fad2a482aef900a3408f1a12178 [0,2,0,0,0,0|1,0,1]=4 8244 B13R0.202 CC(C#N)NCCCCCCC(=O)O 6622dd30d597f409667de84e0e354d8f [0,2,0,0,0,0|1,0,1]=4 8245 B13R0.202 CC(C=O)NCCCCCCC(=O)O 326e6997bfad66a3cdd6b66afea19f15 [0,2,0,0,0,0|1,0,0]=3 8246 B13R0.202 CC(C=O)OCCCCCCC(=O)N cd4f780f7e69953bb6b28bc36c795ef6 [0,2,0,0,0,0|2,0,0]=4 8247 B13R0.202 CC(C=O)OCCCCCCC(=O)O ede3603e966459649133eeeed4df535a [0,2,0,0,0,0|1,0,0]=3 8248 B13R0.202 CC(CO)CCCNCCCC(=O)O a95bca896d6c64b0c3d678750726d5f5 [0,2,0,0,0,0|1,0,1]=4 8249 B13R0.202 CC(CO)CCNCCCCC(=O)O 146be4dc1dfebca9b6508f074f6409d6 [0,2,0,0,0,0|1,0,1]=4 8250 B13R0.202 CC(CO)CNCCCCCC(=O)O 7dec7079f222beefa8702aea100d9371 [0,2,0,0,0,0|1,0,1]=4 8251 B13R0.202 CC(CO)NCCCCCCC(=O)O 74ec485fbc8fb44248858acb49d839a0 [0,2,0,0,0,0|1,0,1]=4 8252 B13R0.202 CCC(=O)CCCCNCCC(=O)O 6aca7723fcf779eb6e834ed72876edea [0,2,0,0,0,0|1,0,1]=4 8253 B13R0.202 CCC(=O)CCCCOCCC(=O)O e812736e025510eeeebf9d2b75af4ccc [0,2,0,0,0,0|1,0,1]=4 8254 B13R0.202 CCC(=O)CNCCCCCC(=O)O ddb454ee7505ffe7bf0300af234772dc [0,2,0,0,0,0|1,0,1]=4 8255 B13R0.202 CCC(=O)COCCCCCC(=O)O a53cf8e8fc69c122d4985bcd7f4cf458 [0,2,0,0,0,0|1,0,1]=4 8256 B13R0.202 CCC(C)CCCCCOCC(=O)O 926dd9773fa2a85d66e5b123b84c5dd9 [0,2,0,0,0,0|0,0,2]=4 8257 B13R0.202 CCC(C)CCCCOCCC(=O)O e349cac23b68b34796b1edaa3218c47b [0,2,0,0,0,0|0,0,2]=4 8258 B13R0.202 CCC(C)CCNCCCCC(=O)O 2c2e9bc19196ce2332247b914388b22d [0,2,0,0,0,0|0,0,2]=4 8259 B13R0.202 CCC(C)CCOCCCCC(=O)O 5d8d6098c7ff5f00b7d0ec54081d7d0a [0,2,0,0,0,0|0,0,2]=4 8260 B13R0.202 CCC(C)CNCCCCCC(=O)O f0762d0d7d0199a3e278e1d18fd7b9e2 [0,2,0,0,0,0|0,0,2]=4 8261 B13R0.202 CCC(C)COCCCCCC(=O)O 0d8938020f60603da5780242a513504b [0,2,0,0,0,0|0,0,2]=4 8262 B13R0.202 CCC(C)NCCCCCCC(=O)O c9a0605fb4dac6b80e99b2cca621df49 [0,2,0,0,0,0|0,0,2]=4 8263 B13R0.202 CCC(C)OCCCCCCC(=O)O cee2aee3bdfe7f490277d7aac3f426fe [0,2,0,0,0,0|0,0,2]=4 8264 B13R0.202 CCC(O)CNCCCCCC(=O)O 9cb659addd6fc27e028dcdc558d3ee4d [0,2,0,0,0,0|0,0,2]=4 8265 B13R0.202 CCC(S)CCOCCCCC(=O)O 51faddd23de53feb4b0981d3820a0a24 [0,2,0,0,0,0|0,0,2]=4 8266 B13R0.202 CCN(C)CCCCCCCC(=O)O 1e552a237f38420a20a16485c8f0f263 [0,2,0,0,0,0|0,0,2]=4 8267 B13R0.202 CC[C@@H](C)CNCCCCCC(=O)O f9d8b71ae5ec712d10a11cc43204b0f0 [0,2,0,0,0,0|0,0,2]=4 8268 B13R0.202 CC[C@@H](C)COCCCCCC(=O)O 6436d268261ab433cf23d9a08e03219f [0,2,0,0,0,0|0,0,2]=4 8269 B13R0.202 CC[C@@H](O)CNCCCCCC(=O)O 6d006527d7e8a8adfc8177ab38e36dd0 [0,2,0,0,0,0|0,0,2]=4 8270 B13R0.202 CC[C@H](C)CCCCCOCC(=O)O 0235bcbfae97e436213a72c5b439dc65 [0,2,0,0,0,0|0,0,2]=4 8271 B13R0.202 CC[C@H](C)CCCCOCCC(=O)O 632eacd5eb349e1deb17ad2f023935be [0,2,0,0,0,0|0,0,2]=4 8272 B13R0.202 CC[C@H](C)CCOCCCCC(=O)O 911969ee0523a8fc220d5d98d6812889 [0,2,0,0,0,0|0,0,2]=4 8273 B13R0.202 CC[C@H](C)CNCCCCCC(=O)O 118368c503f4765c395fee35fd723b76 [0,2,0,0,0,0|0,0,2]=4 8274 B13R0.202 CC[C@H](C)COCCCCCC(=O)O 6eac032dbf3f73e5f4406eca41efa6c5 [0,2,0,0,0,0|0,0,2]=4 8275 B13R0.202 CN(C=O)CCOCCCCC(=O)O b30b2a7732ba29067ddf8bf9756b1b73 [0,2,0,0,0,0|2,0,0]=4 8276 B13R0.202 CN(CF)CCCCCCCC(=O)O f9be414334a1fee365f6ca1891b9eadf [0,2,0,0,0,0|1,0,1]=4 8277 B13R0.202 CN(CO)CCCCCCCC(=O)O 2d0f0a98f04b849812dddd7676c7c54a [0,2,0,0,0,0|1,0,1]=4 8278 B13R0.202 CNC(=O)CCCNCCCC(=O)O 125b8db846ea2c2def05fbacd43b4ea3 [0,2,0,0,0,0|1,0,1]=4 8279 B13R0.202 CNC(=O)CCCOCCCC(=O)O 2d4e8788eba846eb56b88db76fa1726a [0,2,0,0,0,0|1,0,1]=4 8280 B13R0.202 CNC(=O)CCNCCCCC(=O)O 1435a97357219a45e6a8f7ad363de536 [0,2,0,0,0,0|1,0,1]=4 8281 B13R0.202 CNC(=O)CCOCCCCC(=O)O b17d8c87e3d2af8902166b673ba883f1 [0,2,0,0,0,0|1,0,1]=4 8282 B13R0.202 CNC(=O)CNCCCCCC(=O)O 4ed03d442475d1ba19ac93b1a633b773 [0,2,0,0,0,0|1,0,1]=4 8283 B13R0.202 CNC(=O)COCCCCCC(=O)O 285ac2d92388b32204d0bc1ee2f6fc54 [0,2,0,0,0,0|1,0,1]=4 8284 B13R0.202 COC(=O)CCCCCCNC(=O)C 44a534a3cfdb6f803ed520266031916b [0,2,0,0,0,0|1,0,1]=4 8285 B13R0.202 COC(=O)CCCCCNCC(=O)C 2658f9ab817b55094395beededcd6a6f [0,2,0,0,0,0|1,0,1]=4 8286 B13R0.202 COC(=O)CCCCCNCC(=O)N c64f964bd8d7f9c50e290a1866a5d279 [0,2,0,0,0,0|2,0,0]=4 8287 B13R0.202 COC(=O)CCCCCNCC(=O)O f8366fb9d84934bd1a25f7e51c8dc7bb [0,2,0,0,0,0|1,0,1]=4 8288 B13R0.202 COC(=O)CCCCCOCC(=O)C 8cba570bc6f372b9e7633be0bf2774ac [0,2,0,0,0,0|1,0,1]=4 8289 B13R0.202 COC(=O)CCCCCOCC(=O)N 01cb4d8e033a52c172badc93d7a2fd69 [0,2,0,0,0,0|2,0,0]=4 8290 B13R0.202 COC(=O)CCCCCOCC(=O)O 33a48c98bfa21d6eb8585a6deb9a7c55 [0,2,0,0,0,0|1,0,1]=4 8291 B13R0.202 COC(=O)CCCCCOCC(=S)N 7ea0ab4350bb5b0dc6a667dae59fe5b8 [0,2,0,0,0,0|2,0,0]=4 8292 B13R0.202 COC(=O)CCCCNCCC(=O)C 79814cdb58e50438655605bd4aeee63b [0,2,0,0,0,0|1,0,1]=4 8293 B13R0.202 COC(=O)CCCCNCCC(=O)N a1daf8b81d96516d874aaba9c580e68d [0,2,0,0,0,0|2,0,0]=4 8294 B13R0.202 COC(=O)CCCCNCCC(=O)O 7fb914480f0b885644f93a49494a14ce [0,2,0,0,0,0|1,0,1]=4 8295 B13R0.202 COC(=O)CCCCNCCC(=S)N 093327c50e654b68791dc9e709c4dbc6 [0,2,0,0,0,0|2,0,0]=4 8296 B13R0.202 COC(=O)CCCCOCCC(=O)C bd6f430f6a3264ee324b0ae961beb50e [0,2,0,0,0,0|1,0,1]=4 8297 B13R0.202 COC(=O)CCCCOCCC(=O)N 793f5191c052d0df7ccc6a7111cc67e5 [0,2,0,0,0,0|2,0,0]=4 8298 B13R0.202 COC(=O)CCCCOCCC(=O)O 1f12858a10a13b40a91290ebf0e772aa [0,2,0,0,0,0|1,0,1]=4 8299 B13R0.202 COC(=O)CCCNCCCC(=O)C 6609d098327ef3d8c1050fbefd56c643 [0,2,0,0,0,0|1,0,1]=4 8300 B13R0.202 COC(=O)CCCNCCCC(=O)N 737daf701771207750bf662283a160c5 [0,2,0,0,0,0|2,0,0]=4 8301 B13R0.202 COC(=O)CCCNCCCC(=O)O f4d3c9969b39fdbbb57779d09ffdcb07 [0,2,0,0,0,0|1,0,1]=4 8302 B13R0.202 COC(=O)CCCOCCCC(=O)C 83aeae7a5cd3934aa6f619d7c7b8a59b [0,2,0,0,0,0|1,0,1]=4 8303 B13R0.202 COC(=O)CCCOCCCC(=O)N b735fb5777e311a8b8bbf50854cf7679 [0,2,0,0,0,0|2,0,0]=4 8304 B13R0.202 COC(=O)CCNCCCCC(=O)C e3395513877fccdf1b6859fa0d0fa163 [0,2,0,0,0,0|1,0,1]=4 8305 B13R0.202 COC(=O)CCNCCCCC(=O)N 0cf5277a403ba3c5ecf34f708f55ec6c [0,2,0,0,0,0|2,0,0]=4 8306 B13R0.202 COC(=O)CCNCCCCC(=O)O b40a9dccda245b8f8a02cd83b2067702 [0,2,0,0,0,0|1,0,1]=4 8307 B13R0.202 COC(=O)CCOCCCCC(=O)C 51795b0e0495d299fec20514fd2d198e [0,2,0,0,0,0|1,0,1]=4 8308 B13R0.202 COC(=O)CCOCCCCC(=O)N 8b96f81c6a8ba724698e22f52608d967 [0,2,0,0,0,0|2,0,0]=4 8309 B13R0.202 COC(=O)CCOCCCCC(=O)O 59d4254b419fc4edfec3e039d238eef9 [0,2,0,0,0,0|1,0,1]=4 8310 B13R0.202 COC(=O)CNCCCCCC(=O)C 11d41d1148adb1302b4d00c643183044 [0,2,0,0,0,0|1,0,1]=4 8311 B13R0.202 COC(=O)CNCCCCCC(=O)N c4cab741ff35b653c28e1b7cfa89f350 [0,2,0,0,0,0|2,0,0]=4 8312 B13R0.202 COC(=O)CNCCCCCC(=O)O c6afe28d261b66f952a5b30d88c8cd6b [0,2,0,0,0,0|1,0,1]=4 8313 B13R0.202 COC(=O)COCCCCCC(=O)C 7352ae172b5ec6c823dc4355df0aac2b [0,2,0,0,0,0|1,0,1]=4 8314 B13R0.202 COC(=O)COCCCCCC(=O)N 7a10bc0a28a817455f847151705ed98a [0,2,0,0,0,0|2,0,0]=4 8315 B13R0.202 COC(=O)COCCCCCC(=O)O c7443e0c2df96fd20279f652b98a367e [0,2,0,0,0,0|1,0,1]=4 8316 B13R0.202 COC(C)CCOCCCCC(=O)O 35c46fc316df57ea7faf3d86edcfcd0c [0,2,0,0,0,0|1,0,1]=4 8317 B13R0.202 COC(C)CNCCCCCC(=O)O 0326c65714db4e38e737f16cfbb2b098 [0,2,0,0,0,0|1,0,1]=4 8318 B13R0.202 COC(C)COCCCCCC(=O)O 191b99a1d5ff9281521f13e9cbc690cd [0,2,0,0,0,0|1,0,1]=4 8319 B13R0.202 CO[C@@H](C)CNCCCCCC(=O)O 29f39aa887fe70a215f8274ff16a72ea [0,2,0,0,0,0|1,0,1]=4 8320 B13R0.202 CO[C@@H](C)COCCCCCC(=O)O 09c6f89eae9092e0527d37331f789f94 [0,2,0,0,0,0|1,0,1]=4 8321 B13R0.202 CO[C@H](C)CNCCCCCC(=O)O d9964b1577c2647c5ffa7223972ee4df [0,2,0,0,0,0|1,0,1]=4 8322 B13R0.202 CO[C@H](C)COCCCCCC(=O)O db2c3dced805e51d89a9422cb9b32cd6 [0,2,0,0,0,0|1,0,1]=4 8323 B13R0.202 C[C@@H](CO)CCNCCCCC(=O)O ddec7b338090cfcf2a6fea5fee069620 [0,2,0,0,0,0|1,0,1]=4 8324 B13R0.202 C[C@@H](CO)CNCCCCCC(=O)O 4482fe961e2669bc539d651c77c95a82 [0,2,0,0,0,0|1,0,1]=4 8325 B13R0.202 C[C@@H](CO)NCCCCCCC(=O)O ac6e10024158808167508fd407d10a6a [0,2,0,0,0,0|1,0,1]=4 8326 B13R0.202 C[C@H](C=O)NCCCCCCC(=O)O 401f45c2a5e5ff58b4ca259c9d5dfddf [0,2,0,0,0,0|1,0,0]=3 8327 B13R0.202 C[C@H](C=O)OCCCCCCC(=O)N 5566a4fac5e2440b1bfabaa96811ed90 [0,2,0,0,0,0|2,0,0]=4 8328 B13R0.202 C[C@H](C=O)OCCCCCCC(=O)O 3c789218baff8416d25df1b7694ea088 [0,2,0,0,0,0|1,0,0]=3 8329 B13R0.202 C[C@H](CO)CNCCCCCC(=O)O 57908a2065a75da3261b579654e13cbb [0,2,0,0,0,0|1,0,1]=4 8330 B13R0.202 C[C@H](CO)NCCCCCCC(=O)O 0a184ef45237c847d9466ed6cc2bede5 [0,2,0,0,0,0|1,0,1]=4 8331 B13R0.202 NC(=O)CCCCCNC/C(=C/Cl)/Cl 08162e5f572fe45f2bb680585efd1837 [0,2,0,0,0,0|2,0,0]=4 8332 B13R0.202 NC(=O)CCCCCNCC(=O)CO 1c93869439ba0272f702d94e42cc168d [0,2,0,0,0,0|2,0,0]=4 8333 B13R0.202 NC(=O)CCCCCNCC(=O)NO 23bd28a3826f315bd46d7fef46269208 [0,2,0,0,0,0|2,0,0]=4 8334 B13R0.202 NC(=O)CCCCCOC/C(=C/Cl)/Cl d63073ab226e01a7433df917b180d68d [0,2,0,0,0,0|2,0,0]=4 8335 B13R0.202 NC(=O)CCCCNCCC(=O)NO 47d98a415b9dede20cdbf95e068923ae [0,2,0,0,0,0|2,0,0]=4 8336 B13R0.202 O=C(O)CCCCCNC/C(=C/Cl)/Cl 224d812d23a1315c5a5d336bf3875fe7 [0,2,0,0,0,0|1,0,0]=3 8337 B13R0.202 O=C(O)CCCCCNCC(=O)CO 6626f01d8077ec95536b0abc5d93e737 [0,2,0,0,0,0|1,0,1]=4 8338 B13R0.202 O=C(O)CCCCCNCC(F)CO 2cdf3fffbf4023ca57978b540d3546fd [0,2,0,0,0,0|1,0,1]=4 8339 B13R0.202 O=C(O)CCCCCNCC(O)CF bede126bc4d70d652cf5877f869f2e65 [0,2,0,0,0,0|1,0,1]=4 8340 B13R0.202 O=C(O)CCCCCNCC(O)CO eda44635fc3751d268def47880945c9d [0,2,0,0,0,0|1,0,1]=4 8341 B13R0.202 O=C(O)CCCCCNC[C@@H](F)CO 9db1dd1c063dcd193493d3c67ba1dc90 [0,2,0,0,0,0|1,0,1]=4 8342 B13R0.202 O=C(O)CCCCCNC[C@@H](O)CO 7822b336a0c5f36e5e9d156a08f85048 [0,2,0,0,0,0|1,0,1]=4 8343 B13R0.202 O=C(O)CCCCCNC[C@H](F)CO d6365e9809ffac194d240493c54cb9b9 [0,2,0,0,0,0|1,0,1]=4 8344 B13R0.202 O=C(O)CCCCCNC[C@H](O)CO dacabcee052f939be63e1b2a3a7ab299 [0,2,0,0,0,0|1,0,1]=4 8345 B13R0.202 O=C(O)CCCCCOC/C(=C/Cl)/Cl 7ffec0428bbd02d7bc7e33fd24d8b991 [0,2,0,0,0,0|1,0,0]=3 8346 B13R0.202 O=C(O)CCCCCOCC(O)CO a036febc400a4339a6874dc2672dc3ef [0,2,0,0,0,0|1,0,1]=4 8347 B13R0.202 O=C(O)CCCCCOC[C@@H](O)CO 271dab07230797cdd7c4f1c3949b2d0c [0,2,0,0,0,0|1,0,1]=4 8348 B13R0.202 O=C(O)CCCCCOC[C@H](O)CO 0a7cb9da3dc21a52090065ddf0b9e48c [0,2,0,0,0,0|1,0,1]=4 8349 B13R0.202 O=C(O)CCCCNCCC(O)CO 8a1f9d4826b4714fd796e1dfb85506d4 [0,2,0,0,0,0|1,0,1]=4 8350 B13R0.202 O=C(O)CCOCCNC/C(=C/Cl)/Cl 17e55a03996fea84e939ecc2f5b09a60 [0,2,0,0,0,0|2,0,0]=4 8351 B13R0.202 O=C(O)CCOCCOC/C(=C/Cl)/Cl 2f21221e897e725c8cf667a46182fb6d [0,2,0,0,0,0|2,0,0]=4 8352 B13R0.2 C=CCCCCCCCC(=O)NC#N 602fd1cca994bf6491bae688dcda7f25 [0,2,0,0,0,0|1,0,0]=3 8353 B13R0.2 C=CCCCCCCCN(C)CCO 69de3a883a75b2c3014911fd7c4edc04 [0,2,0,0,0,0|2,0,0]=4 8354 B13R0.2 C=CCCCCCNCC(=O)CCC 30eeffdabee09eee68ac6fc4aa6fc06a [0,2,0,0,0,0|2,0,0]=4 8355 B13R0.2 C=CCCCCCNCC(=O)COC 171fd1d870eaa8f54628c303e4bf3486 [0,2,0,0,0,0|1,0,0]=3 8356 B13R0.2 C=CCCCCCNCC(=O)NCC d811df0448c1a1a188da655c52ce0a28 [0,2,0,0,0,0|2,0,0]=4 8357 B13R0.2 C=CCCCCCNCC(=O)NCO ce0d90331141edae8d64d7b0783a861e [0,2,0,0,0,0|1,0,0]=3 8358 B13R0.2 C=CCCCCCNCC(=O)OC=C 6678cbd0d27677935aedeb52046d4507 [0,2,0,0,0,0|1,0,0]=3 8359 B13R0.2 C=CCCCCCNCC(=O)OCC 24f1fb3a72083a708e3bab9faa4972fe [0,2,0,0,0,0|1,0,0]=3 8360 B13R0.2 C=CCCCCCOCC(=O)CCC 0e40ca046ae6d46c4f1ae9a88d735d3b [0,2,0,0,0,0|2,0,0]=4 8361 B13R0.2 C=CCCCCCOCC(=O)COC e8b1cd97bb6974837f9b6e3170a505d0 [0,2,0,0,0,0|1,0,0]=3 8362 B13R0.2 C=CCCCCCOCC(=O)NCC 37189ef613ad486c4ddd73dc281be3f0 [0,2,0,0,0,0|2,0,0]=4 8363 B13R0.2 C=CCCCCCOCC(=O)OC=C c121cbd1c51b1f13fd416c627a1848f0 [0,2,0,0,0,0|1,0,0]=3 8364 B13R0.2 C=CCCCCCOCC(=O)OCC 9a62c1f2b00006d8f8792354bd522532 [0,2,0,0,0,0|1,0,0]=3 8365 B13R0.2 C=CCCCCNCCC(=O)NCC d530cb7300ce2c4f10901876c73ad7fb [0,2,0,0,0,0|2,0,0]=4 8366 B13R0.2 C=CCCCCNCCC(=O)OCC 06ca04ccf91c657cf9960d69fef1eb4a [0,2,0,0,0,0|1,0,0]=3 8367 B13R0.2 C=CCCCCNCOC(=O)OCC 12eb65f6775df70c2ed5826080b9eedb [0,2,0,0,0,0|2,0,0]=4 8368 B13R0.2 C=CCCCCOCCC(=O)NCC 46786f276d6320750ba2ed2b72c11b2d [0,2,0,0,0,0|2,0,0]=4 8369 B13R0.2 C=CCCCCOCCC(=O)OCC 70d07ff7db51f337097f4a9fcf6c9acb [0,2,0,0,0,0|1,0,0]=3 8370 B13R0.2 C=CCCCCOCOC(=O)OCC 6e6d592db6c659c378facebd059293e5 [0,2,0,0,0,0|2,0,0]=4 8371 B13R0.2 C=CCCCNCCCC(=O)OCC 40e71e23d82fc6a177848cd973888dc7 [0,2,0,0,0,0|1,0,0]=3 8372 B13R0.2 C=CCCCOCCCC(=O)OCC 46c03a902e5c4d86b195be6634b302b3 [0,2,0,0,0,0|1,0,0]=3 8373 B13R0.2 C=CCCNCCCCC(=O)OCC ca9d2312bfa70d1e6b8973f545afc33b [0,2,0,0,0,0|1,0,0]=3 8374 B13R0.2 C=CCCNCCCCS(=O)CCO 269268f580d1c0760fc7e8c9848e780f [0,2,0,0,0,0|2,0,0]=4 8375 B13R0.2 C=CCCNCCOCC(=O)OCC 24aacc1ba1dfb113a458cd7b2d28d3d9 [0,2,0,0,0,0|2,0,0]=4 8376 B13R0.2 C=CCCOCCCCC(=O)OCC 7ff397b15382268741a1047322591f99 [0,2,0,0,0,0|1,0,0]=3 8377 B13R0.2 C=CCCOCCOCC(=O)OCC 849642b91c28b22b3767a1a07f3aa5d7 [0,2,0,0,0,0|2,0,0]=4 8378 B13R0.2 C=CCNCCCCCC(=O)OCC d3cc64754b5f33a416bf3e0325d79a44 [0,2,0,0,0,0|1,0,0]=3 8379 B13R0.2 C=CCOCCCCCC(=O)OCC 71faf2493ef4c346f4b247610c726f5e [0,2,0,0,0,0|1,0,0]=3 8380 B13R0.2 C=CCOCCCOCC(=O)OCC c12407e13b912f18620e5df9aef36e8a [0,2,0,0,0,0|2,0,0]=4 8381 B13R0.2 C=CCOCCNCCC(=O)OCC 91e8daf17bb2c72b9a5887a617365766 [0,2,0,0,0,0|2,0,0]=4 8382 B13R0.2 C=CCOCCOCCC(=O)OCC f87fd218b810e175d5d53e1423758a02 [0,2,0,0,0,0|2,0,0]=4 8383 B13R0.2 C=COCCCCOCC(=O)COC 0da4c51c21533c9e35205c4616ce132e [0,2,0,0,0,0|2,0,0]=4 8384 B13R0.2 C=COCCCCOCC(=O)OC=C 7b2274e134045507f090e3f58a93d52c [0,2,0,0,0,0|2,0,0]=4 8385 B13R0.2 C=COCCCCOCC(=O)OCC 6bc432eaa8bce86405a25849d2b05d91 [0,2,0,0,0,0|2,0,0]=4 8386 B13R0.2 C=COCCCNCCC(=O)OCC df159cc60c165da18081c72a4145b395 [0,2,0,0,0,0|2,0,0]=4 8387 B13R0.2 C=COCCNCCCC(=O)OCC fd9d6c658d184604b266552013a29bf3 [0,2,0,0,0,0|2,0,0]=4 8388 B13R0.2 C=COCCOCCCC(=O)OCC 702a7fb6cd51b2a9c5cd5870411e04a9 [0,2,0,0,0,0|2,0,0]=4 8389 B13R0.2 CCOC(=O)CCCCCNCC=O 4fe03d5d6b42115a306fb93db8407cda [0,2,0,0,0,0|2,0,0]=4 8390 B13R0.2 CCOC(=O)CCCCCOCC=O 75a4d8fbfd6cc119537991981a91b2ab [0,2,0,0,0,0|2,0,0]=4 8391 B13R0.2 CCOC(=O)CCCCOCCC=O 2bd62b0996c4e7537def243cd8256f77 [0,2,0,0,0,0|2,0,0]=4 8392 B13R0.2 CCOC(=O)CCCNCCCC=O 65864a8fffd7f75646407dcb90cb92c4 [0,2,0,0,0,0|2,0,0]=4 8393 B13R0.2 CCOC(=O)CCCOCCCC=O 3079556ac99dddebf8e22d4b0eb7de2a [0,2,0,0,0,0|2,0,0]=4 8394 B13R0.2 CCOC(=O)CCNCCCCC=O 870568fc287c64ec620055381d9246ad [0,2,0,0,0,0|2,0,0]=4 8395 B13R0.2 CCOC(=O)CCOCCCCC=O d1ad076b4f23e3471a83a0d2144ef077 [0,2,0,0,0,0|2,0,0]=4 8396 B13R0.2 CCOC(=O)CNCCCCCC=O d6c068de06cc39604df91852ca2995a3 [0,2,0,0,0,0|2,0,0]=4 8397 B13R0.2 CCOC(=O)COCCCCCC=O 42c03c3afb955c8f71dd2481c54b02a1 [0,2,0,0,0,0|2,0,0]=4 8398 B13R0.2 N#CNC(=O)CCCCCCCC=O 3f54f463b5f20273cb4a2e3303197380 [0,2,0,0,0,0|2,0,0]=4 8399 B13R0.87 C=CCC(=O)NCCCCC(=O)OC cfa2555325626ce6574f1ab8d1e87e0b [0,2,0,0,0,0|1,0,1]=4 8400 B13R0.87 C=CCC(C)CNCCCC(=O)OC 0b000083d886acbe2fbd8d77621fcf51 [0,2,0,0,0,0|1,0,0]=3 8401 B13R0.87 C=CCC(C)COCCCC(=O)C=C bf30dc7f614573991b435f69021f1138 [0,2,0,0,0,0|2,0,0]=4 8402 B13R0.87 C=CCC(C)COCCCC(=O)NC bd831d63190abf25308939eb37f88e2d [0,2,0,0,0,0|2,0,0]=4 8403 B13R0.87 C=CCC(C)COCCCC(=O)OC 2400f9d98dae745fc13451cc3c12a4be [0,2,0,0,0,0|1,0,0]=3 8404 B13R0.87 C=CCC(C)COCCOC(=O)OC 05f9e2e13c04a47ce2f1250030eca2d9 [0,2,0,0,0,0|2,0,0]=4 8405 B13R0.87 C=CCC(C)OCCCCC(=O)CC 5066c8f77d475ad29e6bef9736bf9a9a [0,2,0,0,0,0|2,0,0]=4 8406 B13R0.87 C=CCC(C)OCCCCC(=O)OC 23a48ada3418f4e62f3dd6e7b0f9c428 [0,2,0,0,0,0|1,0,0]=3 8407 B13R0.87 C=CCC(C)OCCOCC(=O)OC e7adaed56ef4bfb48b0395c261a84489 [0,2,0,0,0,0|2,0,0]=4 8408 B13R0.87 C=CCC(O)CNCCCC(=O)C=C 28d98a2d1624cf147a64c2d05c386fd2 [0,2,0,0,0,0|2,0,0]=4 8409 B13R0.87 C=CCC(O)CNCCCC(=O)NC 9c2ab9ae394e8f59b1c6923236cf61af [0,2,0,0,0,0|2,0,0]=4 8410 B13R0.87 C=CCC(O)CNCCCC(=O)OC 1e83c792568a8eb1172ebc3b1b03d76e [0,2,0,0,0,0|1,0,0]=3 8411 B13R0.87 C=CCN(C)CCCCCC(=O)OC fe517351d7c19affa218846f56067e8e [0,2,0,0,0,0|1,0,0]=3 8412 B13R0.87 C=CCN(C)CCCOCC(=O)OC 8910a7f471c29f7e11a5ea059bec4f76 [0,2,0,0,0,0|2,0,0]=4 8413 B13R0.87 C=CCN(C)CCCSCC(=O)OC 900dc50494e5eeed5e20587b25359b44 [0,2,0,0,0,0|2,0,0]=4 8414 B13R0.87 C=CCN(C)CCOCCC(=O)OC 7dd94539b0ed2636dd94c328586b4bba [0,2,0,0,0,0|2,0,0]=4 8415 B13R0.87 C=CC[C@@H](C)OCCCCC(=O)CC 3a0bf7ac62d1986eed380f1b8d03b31c [0,2,0,0,0,0|2,0,0]=4 8416 B13R0.87 C=CC[C@@H](C)OCCCCC(=O)OC f2d2af68fe9a3e34f22903e9f8b1ab71 [0,2,0,0,0,0|1,0,0]=3 8417 B13R0.87 C=CC[C@@H](C)OCCOCC(=O)OC 6d3d97070fbaba426d7bfa7fa77d11ee [0,2,0,0,0,0|2,0,0]=4 8418 B13R0.87 C=CC[C@H](C)OCCCCC(=O)CC fc7e531dea20c8a3ad4f21752c3aa567 [0,2,0,0,0,0|2,0,0]=4 8419 B13R0.87 C=CC[C@H](C)OCCCCC(=O)OC e455c961d28c9c25a50dacb796ce9ea2 [0,2,0,0,0,0|1,0,0]=3 8420 B13R0.87 C=CC[C@H](C)OCCOCC(=O)OC b8fca1f575a83da97d9db94d16d4b434 [0,2,0,0,0,0|2,0,0]=4 8421 B13R0.340 C#CC(=O)N(C)CCCCCCC=C c29eb4f018f1fcd91176062248da46c2 [0,2,0,0,0,0|2,0,0]=4 8422 B13R0.340 C=CCCCCCCN(C)C(=O)C=C 532c3cb8b7c016d42f15bd36b6747372 [0,2,0,0,0,0|2,0,0]=4 8423 B13R0.340 C=CCCCCCCN(C)C(=O)C=O f9add84470c3540ce0d6e998f8df0aa1 [0,2,0,0,0,0|1,0,1]=4 8424 B13R0.340 C=CCCCCCCN(C)C(=O)CC f0250a6f505a56104c9c49cf3e3ff099 [0,2,0,0,0,0|2,0,0]=4 8425 B13R0.340 C=CCCCCCCN(C)C(=O)CF 6e3b8a16a478a1a75f1b616be6e593f4 [0,2,0,0,0,0|2,0,0]=4 8426 B13R0.340 C=CCCCCCCN(C)C(=O)CO f091e91bb50c4cbaf711e6672a63d65d [0,2,0,0,0,0|1,0,0]=3 8427 B13R0.340 C=CCCCCCCN(C)C(=O)CS 57a7e7b85fd0e38a9c27e28ce1391d11 [0,2,0,0,0,0|1,1,0]=4 8428 B13R0.340 C=CCCCCCNC(=O)C(=O)OC 9615b40addc61cfea59309721f252c53 [0,2,0,0,0,0|1,0,1]=4 8429 B13R0.340 C=CCCCCCNC(C)C(=O)CC d4ad7471067791c4a5d33b00e17a996d [0,2,0,0,0,0|2,0,0]=4 8430 B13R0.340 C=CCCCCCNC(C)C(=O)NC 106cbb1ee6adf04a19067d554f72faaa [0,2,0,0,0,0|2,0,0]=4 8431 B13R0.340 C=CCCCCCNC(C)C(=O)OC dcd4d79c6ef49bfbe8940f224f6f3280 [0,2,0,0,0,0|1,0,0]=3 8432 B13R0.340 C=CCCCCCNC(F)C(=O)NC e272989e95257e037190fae6cbdd44b7 [0,2,0,0,0,0|2,0,0]=4 8433 B13R0.340 C=CCCCCCN[C@@H](C)C(=O)OC bf99b3931f2945b515542b27c301ff85 [0,2,0,0,0,0|1,0,0]=3 8434 B13R0.340 C=CCCCCCN[C@H](C)C(=O)OC e187a6a2780b852f27363689ef0af84c [0,2,0,0,0,0|1,0,0]=3 8435 B13R0.340 C=CCCCCCOC(C)C(=O)CC f9bca2f1c0a69ee541cb04483f0654e9 [0,2,0,0,0,0|2,0,0]=4 8436 B13R0.340 C=CCCCCCOC(C)C(=O)NC cd5edd2bc86f4c0ce68b1ba1858f4f84 [0,2,0,0,0,0|2,0,0]=4 8437 B13R0.340 C=CCCCCCOC(C)C(=O)OC aca242590bf24dd580647e4089e3e74c [0,2,0,0,0,0|1,0,0]=3 8438 B13R0.340 C=CCCCCCOC(F)C(=O)NC 52e8631fb11dbb8bd7673f1abe6668cb [0,2,0,0,0,0|2,0,0]=4 8439 B13R0.340 C=CCCCCCO[C@@H](C)C(=O)OC 0a9110c500e45aad5c96d3c9542c9e37 [0,2,0,0,0,0|1,0,0]=3 8440 B13R0.340 C=CCCCCCO[C@H](C)C(=O)OC fad173830973b530e26e9d7373e54704 [0,2,0,0,0,0|1,0,0]=3 8441 B13R0.340 C=CCCCCNCC(=C)C(=O)OC feb30b63c66cdf5fc92830676a32ea61 [0,2,0,0,0,0|1,0,1]=4 8442 B13R0.340 C=CCCCCNCC(=O)C(=O)OC 5020ffef290f0de367adafb954c87735 [0,2,0,0,0,0|1,0,1]=4 8443 B13R0.340 C=CCCCCNCC(C)C(=O)OC d816aabbaa997979a8f5a732694c6e84 [0,2,0,0,0,0|1,0,0]=3 8444 B13R0.340 C=CCCCCNCC(O)C(=O)OC 21c095bdc6c259312592f16b1b680236 [0,2,0,0,0,0|1,0,0]=3 8445 B13R0.340 C=CCCCCNC[C@@H](C)C(=O)OC e0c2a42325124887183e50ed7f84ef0a [0,2,0,0,0,0|1,0,0]=3 8446 B13R0.340 C=CCCCCNC[C@H](C)C(=O)OC 8820ddd59212f9ddf97f26a60e6eb32b [0,2,0,0,0,0|1,0,0]=3 8447 B13R0.340 C=CCCCCOCC(=C)C(=O)OC 55808ce356acf74efb53f527fcbe78db [0,2,0,0,0,0|1,0,1]=4 8448 B13R0.340 C=CCCCCOCC(=O)C(=O)OC 848a5f8c86dc3549f81b8cc8670b2e33 [0,2,0,0,0,0|1,0,1]=4 8449 B13R0.340 C=CCCCCOCC(C)C(=O)OC 480910944e8a1b4d9333a9e20449f030 [0,2,0,0,0,0|1,0,0]=3 8450 B13R0.340 C=CCCCCOCC(F)C(=O)OC 2006ed7e141f91c643f2acd1f037da52 [0,2,0,0,0,0|1,0,0]=3 8451 B13R0.340 C=CCCCCOC[C@@H](C)C(=O)OC 544ae3bba07b799117332049de32d033 [0,2,0,0,0,0|1,0,0]=3 8452 B13R0.340 C=CCCCCOC[C@H](C)C(=O)OC 84c2613e3a7c0251d2f778ea4cc08430 [0,2,0,0,0,0|1,0,0]=3 8453 B13R0.340 C=CCCCNCCC(C)C(=O)OC 7672a7f0fa39c253357e20b3f84286fa [0,2,0,0,0,0|1,0,0]=3 8454 B13R0.340 C=CCCCOCCC(C)C(=O)OC 5bd75638d7d2c7e4972c43b855b13adf [0,2,0,0,0,0|1,0,0]=3 8455 B13R0.340 C=CCCNCCCC(=O)C(=O)OC ddf1d70f6914170b2d26ffb6cb1cbd49 [0,2,0,0,0,0|1,0,1]=4 8456 B13R0.340 C=CCCNCCCC(C)C(=O)OC 0c16c020307b08ee4aae9bda7b76a072 [0,2,0,0,0,0|1,0,0]=3 8457 B13R0.340 C=CCCOCCCC(=O)C(=O)OC 951f5a69b0506d665a5c8b1ebda1e6be [0,2,0,0,0,0|1,0,1]=4 8458 B13R0.340 C=CCCOCCCC(C)C(=O)OC adf07928ddccaddda6a95a3aeb009f4f [0,2,0,0,0,0|1,0,0]=3 8459 B13R0.340 C=CCNCCSCC(C)C(=O)OC 9f20b20e9eef6e189544f8d757b6ff75 [0,2,0,0,0,0|2,0,0]=4 8460 B13R0.340 C=CCOCCNCC(C)C(=O)OC 90bd0542b0f9bacbda26f4763fcc20f0 [0,2,0,0,0,0|2,0,0]=4 8461 B13R0.340 C=CCOCCOCC(C)C(=O)OC 14a39e16f9a48884bd65121dc359266f [0,2,0,0,0,0|2,0,0]=4 8462 B13R0.340 C=CCOCCOCC(F)C(=O)OC 0b72ff22946cae7af8e7ae0288daa930 [0,2,0,0,0,0|2,0,0]=4 8463 B13R0.340 C=CCOCCOC[C@@H](C)C(=O)OC 3eff4ff6f62c768edf27d081cb2a8984 [0,2,0,0,0,0|2,0,0]=4 8464 B13R0.340 C=CCOCCOC[C@H](C)C(=O)OC 642a8ae172ca99c6549a4a7ca03638d9 [0,2,0,0,0,0|2,0,0]=4 8465 B13R0.340 C=COCCCNCC(C)C(=O)OC 0f1443b13c8a1e96e05684e10faf9bd8 [0,2,0,0,0,0|2,0,0]=4 8466 B13R0.340 C=COCCCNCC(O)C(=O)OC 95c9154ed6bdff1e5515360bd8d5f680 [0,2,0,0,0,0|2,0,0]=4 8467 B13R0.340 C=COCCCNC[C@@H](C)C(=O)OC 541ce16f172f61bc39ffc36dd76b9204 [0,2,0,0,0,0|2,0,0]=4 8468 B13R0.340 C=COCCCNC[C@H](C)C(=O)OC c5fef90f1ff626a7615338c0d86487f6 [0,2,0,0,0,0|2,0,0]=4 8469 B13R0.340 C=COCCNCCC(C)C(=O)OC 6f5ea181f150f14c708d7e419d80b769 [0,2,0,0,0,0|2,0,0]=4 8470 B13R0.340 C=COCCOCCC(C)C(=O)OC 141d349ae6ba7d790eb09154fdd2d3cb [0,2,0,0,0,0|2,0,0]=4 8471 B13R0.340 COC(=O)C(C)CCCOCCC=O d091a9e7c78d73073d3eb979f0bba142 [0,2,0,0,0,0|2,0,0]=4 8472 B13R0.340 COC(=O)C(C)CCOCCCC=O e3a1cce723bd5439c55ff6bc372f3e07 [0,2,0,0,0,0|2,0,0]=4 8473 B13R0.340 COC(=O)C(C)CNCCCCC=O 27f8efac31587c080e3787d85cd11193 [0,2,0,0,0,0|2,0,0]=4 8474 B13R0.340 COC(=O)C(C)COCCCCC=O fb0a34836fac717f89eb574206392422 [0,2,0,0,0,0|2,0,0]=4 8475 B13R0.340 COC(=O)C(C)OCCCCCC=O b6570747a07019c78bd8784e5b6f1c43 [0,2,0,0,0,0|2,0,0]=4 8476 B13R0.340 COC(=O)C(F)COCCCCC=O 6302a8fd9bc7aa27d47e85a01a6efbfe [0,2,0,0,0,0|2,0,0]=4 8477 B13R0.340 COC(=O)[C@@H](C)COCCCCC=O 3100da7cdd621e98d2ecc6ffea9b8a35 [0,2,0,0,0,0|2,0,0]=4 8478 B13R0.340 COC(=O)[C@@H](C)OCCCCCC=O 6adb276890d3af5f711ff9e308dac093 [0,2,0,0,0,0|2,0,0]=4 8479 B13R0.340 COC(=O)[C@H](C)COCCCCC=O 9f7c274a31a154ea653d5d7603a5c51c [0,2,0,0,0,0|2,0,0]=4 8480 B13R0.340 COC(=O)[C@H](C)OCCCCCC=O 35ebaf5626facd379877debfc07c54a5 [0,2,0,0,0,0|2,0,0]=4 8481 B13R0.1170 C=CCCCCC(=O)NCC(=O)NO 243fe7cb88df09cbd514e08105136958 [0,2,0,0,0,0|1,0,1]=4 8482 B13R0.1170 C=CCCCCC(=O)NCC(=O)OC 778e11e9bd62b1933863afb084a653d1 [0,2,0,0,0,0|1,0,1]=4 8483 B13R0.1170 C=CCCCCC(C)OCC(=C)OC 0cae65a1113450eb7a0a76269a904afa [0,2,0,0,0,0|2,0,0]=4 8484 B13R0.1170 C=CCCCCC(C)OCC(=O)CC 5e05112e2d5d59bbcf072a64cc4ed2eb [0,2,0,0,0,0|2,0,0]=4 8485 B13R0.1170 C=CCCCCC(C)OCC(=O)NC f0e70f36913c5f772a509185d374773d [0,2,0,0,0,0|2,0,0]=4 8486 B13R0.1170 C=CCCCCC(C)OCC(=O)OC 92c9b22b4909041675b8089f0f90283f [0,2,0,0,0,0|1,0,0]=3 8487 B13R0.1170 C=CCCCCN(C)CCC(=O)NC 7fb86801728604127d882ffc727b44bf [0,2,0,0,0,0|2,0,0]=4 8488 B13R0.1170 C=CCCCCN(C)CCC(=O)OC 9eca2510b7588f8ad4aec92b3db68252 [0,2,0,0,0,0|1,0,0]=3 8489 B13R0.1170 C=CCCCCN(C)COC(=O)OC 2300bc97bdc191fb73d15c8eeaf51fa9 [0,2,0,0,0,0|2,0,0]=4 8490 B13R0.1170 C=CCCCC[C@@H](C)OCC(=C)OC 2209e0ba7c7d19375b9f5ba5b5d5217b [0,2,0,0,0,0|2,0,0]=4 8491 B13R0.1170 C=CCCCC[C@@H](C)OCC(=O)CC 709c2e7929851fd37efdcb87c27d867f [0,2,0,0,0,0|2,0,0]=4 8492 B13R0.1170 C=CCCCC[C@@H](C)OCC(=O)NC 933893c09a169526b852222c4bf743ea [0,2,0,0,0,0|2,0,0]=4 8493 B13R0.1170 C=CCCCC[C@@H](C)OCC(=O)OC b9c45cf41a63a85b24af294b8e8700c8 [0,2,0,0,0,0|1,0,0]=3 8494 B13R0.1170 C=CCCCNC(=O)CCC(=O)NO 4d3c312b7ce37e797a6ba989830df5eb [0,2,0,0,0,0|1,0,1]=4 8495 B13R0.1170 C=CCCCNC(=O)CCC(=O)OC 470c33b88ce0d78b9ee6ff51b21d8cea [0,2,0,0,0,0|1,0,1]=4 8496 B13R0.1170 C=CCCCNC(C)CCC(=O)OC b29fc91d790715bc1a68884a3a1f83b0 [0,2,0,0,0,0|1,0,0]=3 8497 B13R0.1170 C=CCCCOC(C)CCC(=O)OC 63c0ef5cc6c66455aef71c3108e03d3f [0,2,0,0,0,0|1,0,0]=3 8498 B13R0.1170 C=CCCNCC(=O)CCC(=O)OC 4296edc8f5b3aab38c2f2e0f5d8c14f2 [0,2,0,0,0,0|1,0,1]=4 8499 B13R0.1170 C=CCCNCC(C)CCC(=O)OC bb7ac7d67929b2e10c059b2d57043ad1 [0,2,0,0,0,0|1,0,0]=3 8500 B13R0.1170 C=CCCOCC(=O)CCC(=O)OC 51d20e23ce74533800d62fc746f8353f [0,2,0,0,0,0|1,0,1]=4 8501 B13R0.1170 C=CCCOCC(C)CCC(=O)OC f6e6359a7b92495aa200b91f6fd59ad2 [0,2,0,0,0,0|1,0,0]=3 8502 B13R0.1170 C=CCOCCN(C)CCC(=O)OC f639256c137c6f9ef0a779e1bb1920ce [0,2,0,0,0,0|2,0,0]=4 8503 B13R0.1170 C=COCCNC(C)CCC(=O)OC 6368ec6bcad6e6a16e4708274804253c [0,2,0,0,0,0|2,0,0]=4 8504 B13R0.1170 C=COCCOC(C)CCC(=O)OC 3ed76791d257f6aa700e18b0d72a5c8f [0,2,0,0,0,0|2,0,0]=4 8505 B13R0.1170 COC(=O)CCC(C)COCCC=O 4c73034d087667cb7804db827e17cffa [0,2,0,0,0,0|2,0,0]=4 8506 B13R0.1170 COC(=O)CCC(C)OCCCC=O 2ccbe9500cd95fccaa4eb11e2728e444 [0,2,0,0,0,0|2,0,0]=4 8507 B13R0.1170 COC(=O)CCN(C)CCCCC=O 57fa9425f160aba7c09b13501cbf554b [0,2,0,0,0,0|2,0,0]=4 8508 B13R0.61 C#CC(OCCCCCC=C)C(=O)O ddde662be3b9543804be2e4704cf1c06 [0,2,0,0,0,0|1,0,0]=3 8509 B13R0.61 C#CC(OCCCCCC=O)C(=O)O acf7cdf8f27388c072216ff37c9eb76b [0,2,0,0,0,0|2,0,0]=4 8510 B13R0.61 C=CC(NCCCCCC=O)C(=O)O abeae7de413e29d7d1239135682de0c6 [0,2,0,0,0,0|2,0,0]=4 8511 B13R0.61 C=CCCCCCNC(C#N)C(=O)N 964ee0e787353ce853559fcc15cbcd9f [0,2,0,0,0,0|2,0,0]=4 8512 B13R0.61 C=CCCCCCNC(C=C)C(=O)O b82e4ec613a421fe77d24040814a2557 [0,2,0,0,0,0|1,0,0]=3 8513 B13R0.61 C=CCCCCCNC(CC)C(=O)N 1a19b69752dd90a7c9e83ca72f8fb70a [0,2,0,0,0,0|2,0,0]=4 8514 B13R0.61 C=CCCCCCNC(CC)C(=O)O 2630ccb6c29788f540dbcd54e17b0a33 [0,2,0,0,0,0|1,0,0]=3 8515 B13R0.61 C=CCCCCCNC(CCl)C(=O)O 2716fd14490ae753ae49a2c2175b8c58 [0,2,0,0,0,0|1,0,0]=3 8516 B13R0.61 C=CCCCCCNC(CF)C(=O)O 50d79f2a35934d45d64b16cbe9880dc9 [0,2,0,0,0,0|1,0,0]=3 8517 B13R0.61 C=CCCCCCNC(CO)C(=O)N 724a3fec02ad634fa73a82b46e8a00c2 [0,2,0,0,0,0|2,0,0]=4 8518 B13R0.61 C=CCCCCCNC(CO)C(=O)O 9628e6724544fe909b9f0df25547abb4 [0,2,0,0,0,0|1,0,0]=3 8519 B13R0.61 C=CCCCCCNC(CS)C(=O)O a0e71a7dcfb329fcd49f40101468f472 [0,2,0,0,0,0|1,0,0]=3 8520 B13R0.61 C=CCCCCCN[C@@H](C=C)C(=O)O 130a15ee12c1ca6a58eaee8650961d3b [0,2,0,0,0,0|1,0,0]=3 8521 B13R0.61 C=CCCCCCN[C@@H](CC)C(=O)N 455e0f139c4cd72c7972d84a1225980f [0,2,0,0,0,0|2,0,0]=4 8522 B13R0.61 C=CCCCCCN[C@@H](CC)C(=O)O df2c2ef412b7e58cad951a37a624ed68 [0,2,0,0,0,0|1,0,0]=3 8523 B13R0.61 C=CCCCCCN[C@@H](CCl)C(=O)O 26dc709e961f05219f9b96c16a0d4b07 [0,2,0,0,0,0|1,0,0]=3 8524 B13R0.61 C=CCCCCCN[C@@H](CO)C(=O)N c8e7dd1463326ee7175d0b962054da8f [0,2,0,0,0,0|2,0,0]=4 8525 B13R0.61 C=CCCCCCN[C@@H](CO)C(=O)O 42adfb6071038588b6f2b5ff28e69d35 [0,2,0,0,0,0|1,0,0]=3 8526 B13R0.61 C=CCCCCCN[C@@H](CS)C(=O)O eb1f3333953ad551ba3d714317a362a5 [0,2,0,0,0,0|1,0,0]=3 8527 B13R0.61 C=CCCCCCN[C@H](CC)C(=O)O 2c05fcc89df683c532a24fef94acf991 [0,2,0,0,0,0|1,0,0]=3 8528 B13R0.61 C=CCCCCCN[C@H](CCl)C(=O)O abccbf9ad45ce8ee2b3ec82ded0bf654 [0,2,0,0,0,0|1,0,0]=3 8529 B13R0.61 C=CCCCCCN[C@H](CO)C(=O)O 09967cbd9bb0f88ca1e7d5e2a7f88bce [0,2,0,0,0,0|1,0,0]=3 8530 B13R0.61 C=CCCCCCN[C@H](CS)C(=O)O bfc1650bd710f40035059b88c3e1ca43 [0,2,0,0,0,0|1,0,0]=3 8531 B13R0.61 C=CCCCCCO/C(=C\C)/C(=O)O b4b34108fd17b299b0d3e07259aacbe4 [0,2,0,0,0,0|1,0,1]=4 8532 B13R0.61 C=CCCCCCOC(CC)C(=O)N 1b10934469b510c984787adb5c0fce5c [0,2,0,0,0,0|2,0,0]=4 8533 B13R0.61 C=CCCCCCOC(CC)C(=O)O bf8534f0e07d1c56bb1f420fbbbc7da3 [0,2,0,0,0,0|1,0,0]=3 8534 B13R0.61 C=CCCCCCOC(CF)C(=O)O 873bec48e26331defff83c09817ba6aa [0,2,0,0,0,0|1,0,0]=3 8535 B13R0.61 C=CCCCCCO[C@@H](CC)C(=O)O 8de0dba3b9d2c53ddc22911e0506d6b6 [0,2,0,0,0,0|1,0,0]=3 8536 B13R0.61 C=CCCCCCO[C@H](CC)C(=O)O 679e6e5be2deca99476a1c1c1b36eb90 [0,2,0,0,0,0|1,0,0]=3 8537 B13R0.61 C=CCCCCCO[C@H](CF)C(=O)O a4872829fcd964dd44dc8e20cca51688 [0,2,0,0,0,0|1,0,0]=3 8538 B13R0.61 C=CCCCCNCC(C#N)C(=O)O 6d59323664ee4097d43153d61b6a47ab [0,2,0,0,0,0|1,0,0]=3 8539 B13R0.61 C=CCCCCNC[C@H](CC)C(=O)O 30e0c376dbb3fded24ed0799608611dc [0,2,0,0,0,0|1,0,0]=3 8540 B13R0.61 C=CCCCCNC[C@H](CO)C(=O)O ba26ad55ff14f65344daa1dd3cd974fa [0,2,0,0,0,0|1,0,0]=3 8541 B13R0.61 C=CCCCNCCC(OC)C(=O)O 5d3ba4856a32e01e66fb0a7e34117dd3 [0,2,0,0,0,0|1,0,0]=3 8542 B13R0.61 C=CCOCCNCC(C#N)C(=O)O 6106ac1dabe0b877b5342ccb0ab1e1d9 [0,2,0,0,0,0|2,0,0]=4 8543 B13R0.61 C=CCOCCNC[C@H](CC)C(=O)O 90998f83da588fb7456d554d705b4da9 [0,2,0,0,0,0|2,0,0]=4 8544 B13R0.61 C=CCOCCNC[C@H](CO)C(=O)O 349e3675d8c4122c673a076fb3e455cc [0,2,0,0,0,0|2,0,0]=4 8545 B13R0.61 C=C[C@H](NCCCCCC=O)C(=O)O 85ab630767d32f57b3fdf83a134fa81f [0,2,0,0,0,0|2,0,0]=4 8546 B13R0.61 CCC(NCCCCCC=O)C(=O)O cbeda9c21bb3dcced7adbac596fb7032 [0,2,0,0,0,0|2,0,0]=4 8547 B13R0.61 CCC(OCCCCCC=O)C(=O)O e34a381ec887e4c3e909b84e1f66b680 [0,2,0,0,0,0|2,0,0]=4 8548 B13R0.61 CC[C@@H](CNCCCCC=O)C(=O)O bf6bd77329cc4f1f85cffa228ca8c0a4 [0,2,0,0,0,0|2,0,0]=4 8549 B13R0.61 CC[C@@H](NCCCCCC=O)C(=O)O e772f4f8c95604183677033b84aa9f78 [0,2,0,0,0,0|2,0,0]=4 8550 B13R0.61 CC[C@@H](OCCCCCC=O)C(=O)O d15293c1add284b74b360649a5fd0d07 [0,2,0,0,0,0|2,0,0]=4 8551 B13R0.61 CC[C@H](NCCCCCC=O)C(=O)O 2b81567e5ff1f55ec745a4904da24380 [0,2,0,0,0,0|2,0,0]=4 8552 B13R0.61 CC[C@H](OCCCCCC=O)C(=O)O d16179020fcb6f566335d268bcabf62b [0,2,0,0,0,0|2,0,0]=4 8553 B13R0.61 COC(CCNCCCC=O)C(=O)O 59f60355373319ea756c9456166e751e [0,2,0,0,0,0|2,0,0]=4 8554 B13R0.61 N#CC(CNCCCCC=O)C(=O)O ca7a3feec456d30c725d92aa33fa036d [0,2,0,0,0,0|2,0,0]=4 8555 B13R0.61 O=CCCCCCNC(CCl)C(=O)O 71fb6b7c7380c2ce38c090239dcf012c [0,2,0,0,0,0|2,0,0]=4 8556 B13R0.61 O=CCCCCCNC(CF)C(=O)O 548dbcf283fde446112cbd00fbf8b6aa [0,2,0,0,0,0|2,0,0]=4 8557 B13R0.61 O=CCCCCCNC(CO)C(=O)O cebd6437b3023d499d86e6e3ee4dc6ba [0,2,0,0,0,0|2,0,0]=4 8558 B13R0.61 O=CCCCCCNC(CS)C(=O)O 0a67fa786a90f7f83d3ad914379ddae8 [0,2,0,0,0,0|2,0,0]=4 8559 B13R0.61 O=CCCCCCN[C@@H](CCl)C(=O)O d185fc65d1bc0677998129acdc56a3aa [0,2,0,0,0,0|2,0,0]=4 8560 B13R0.61 O=CCCCCCN[C@@H](CO)C(=O)O b120f9830e2e6d4c2d2f39eae59a7200 [0,2,0,0,0,0|2,0,0]=4 8561 B13R0.61 O=CCCCCCN[C@@H](CS)C(=O)O e4f57efc65aee2dfc1f9656c12b7a803 [0,2,0,0,0,0|2,0,0]=4 8562 B13R0.61 O=CCCCCCN[C@H](CCl)C(=O)O df82d2c37d4ef44595e3d013de38cb48 [0,2,0,0,0,0|2,0,0]=4 8563 B13R0.61 O=CCCCCCN[C@H](CO)C(=O)O 9b75d5dafa129e58d8673aa1be68a9c2 [0,2,0,0,0,0|2,0,0]=4 8564 B13R0.61 O=CCCCCCN[C@H](CS)C(=O)O 6a0290c3d228094f0c8c41779054249f [0,2,0,0,0,0|2,0,0]=4 8565 B13R0.61 O=CCCCCCO[C@H](CF)C(=O)O 0f45a50cd11f59a4287ead37b4f9e4b0 [0,2,0,0,0,0|2,0,0]=4 8566 B13R0.61 O=CCCCCNC[C@H](CO)C(=O)O 2e1deecb29af8713995981f3ad892a5c [0,2,0,0,0,0|2,0,0]=4 8567 B13R0.91 C=CCC(C)CNCCC(F)C(=O)O 2ea04307e2cc378fb8274b493b5714c2 [0,2,0,0,0,0|1,0,0]=3 8568 B13R0.91 C=CCC(C)CNCCC(O)C(=O)O 65aea6aeba77a97d94e5199b5014f492 [0,2,0,0,0,0|1,0,0]=3 8569 B13R0.91 C=CCC(C)CNCC[C@H](O)C(=O)O eb6a89c3b63581048575878a6b4f548c [0,2,0,0,0,0|1,0,0]=3 8570 B13R0.91 C=CCC(C)COCCC(C)C(=O)C ba1fe512fbf8ef55ded4f36a0532fa1a [0,2,0,0,0,0|2,0,0]=4 8571 B13R0.91 C=CCC(C)OCCCC(C)C(=O)O f6d375db8f5dad550595d3a622142fef [0,2,0,0,0,0|1,0,0]=3 8572 B13R0.91 C=CCC(O)CNCCC(C)C(=O)C 4a1345af4f4a506481d4ae7a2ac09567 [0,2,0,0,0,0|2,0,0]=4 8573 B13R0.91 C=CCN(C)CCOCC(C)C(=O)O 93a3cb947f4c5083a5afd0e8483ffb40 [0,2,0,0,0,0|2,0,0]=4 8574 B13R0.91 C=CC[C@@H](C)OCCCC(C)C(=O)O 6fb9c7923a736f74f2e509b821e22927 [0,2,0,0,0,0|1,0,0]=3 8575 B13R0.91 C=CC[C@H](C)OCCCC(C)C(=O)O 00e110a626685e79b07ec3a6c4006320 [0,2,0,0,0,0|1,0,0]=3 8576 B13R0.284 C=CCCCCC(C)OC(C)C(=O)C b4899a621df7a36cd8deaea98475fa3a [0,2,0,0,0,0|2,0,0]=4 8577 B13R0.284 C=CCCCCC(C)OC(C)C(=O)N f13faeef9884cb4d0ca4efb69ded379b [0,2,0,0,0,0|2,0,0]=4 8578 B13R0.284 C=CCCCCC(C)OC(C)C(=O)O b56541af6831bffa32eb4d187de34432 [0,2,0,0,0,0|1,0,0]=3 8579 B13R0.284 C=CCCCCC(C)OC(F)C(=O)N 18737f26e3dbaab287056cb5138a8a96 [0,2,0,0,0,0|2,0,0]=4 8580 B13R0.284 C=CCCCCC(C)OC(F)C(=O)O 339b32dd7a0f6d676b63ad72e74b6fe1 [0,2,0,0,0,0|1,0,0]=3 8581 B13R0.284 C=CCCCCC(C)O[C@@H](C)C(=O)N 9d783c066d0e67fd463f510e47f79c9d [0,2,0,0,0,0|2,0,0]=4 8582 B13R0.284 C=CCCCCC(C)O[C@@H](C)C(=O)O a3a2528e65acad38586eb8ba20477cca [0,2,0,0,0,0|1,0,0]=3 8583 B13R0.284 C=CCCCCC(C)O[C@@H](F)C(=O)O 9f6a265019b024920be922e043614eb5 [0,2,0,0,0,0|1,0,0]=3 8584 B13R0.284 C=CCCCCC(C)O[C@H](C)C(=O)N b97f14d397c6f59c3390701d22087b40 [0,2,0,0,0,0|2,0,0]=4 8585 B13R0.284 C=CCCCCC(C)O[C@H](C)C(=O)O 552d0072f96451d96a638bd00aed9ba1 [0,2,0,0,0,0|1,0,0]=3 8586 B13R0.284 C=CCCCCN(C)CC(=C)C(=O)O 6fcb82467a2be344a3a8bf7159fc68bb [0,2,0,0,0,0|1,0,1]=4 8587 B13R0.284 C=CCCCCN(C)CC(=O)C(=O)O 5f3a48864253759c2c7f6463186a1947 [0,2,0,0,0,0|1,0,1]=4 8588 B13R0.284 C=CCCCCN(C)CC(C)C(=O)O a8677c476d43a10d1c9ec1abfc735935 [0,2,0,0,0,0|1,0,0]=3 8589 B13R0.284 C=CCCCCN(C)CC(O)C(=O)O 9054b3a7c60f0b275a7a616c709d593b [0,2,0,0,0,0|1,0,0]=3 8590 B13R0.284 C=CCCCCN(C)C[C@H](O)C(=O)O 67a0544858839c6b1ac21f27fa4412ce [0,2,0,0,0,0|1,0,0]=3 8591 B13R0.284 C=CCCCC[C@@H](C)OC(C)C(=O)C d3fa079a1f141c04bc371fafdf5817cd [0,2,0,0,0,0|2,0,0]=4 8592 B13R0.284 C=CCCCC[C@@H](C)OC(C)C(=O)N fac597145ceee2747b27ce7104207f5f [0,2,0,0,0,0|2,0,0]=4 8593 B13R0.284 C=CCCCC[C@@H](C)OC(C)C(=O)O 856ff4a162cc624d024cbd886b22ca2e [0,2,0,0,0,0|1,0,0]=3 8594 B13R0.284 C=CCCCC[C@@H](C)OC(F)C(=O)N a6650f63a612cef6fa9c0ad7f87b22c3 [0,2,0,0,0,0|2,0,0]=4 8595 B13R0.284 C=CCCCC[C@@H](C)OC(F)C(=O)O 22ee9f0ab9cf8053cf2b036abca04855 [0,2,0,0,0,0|1,0,0]=3 8596 B13R0.284 C=CCCCC[C@@H](C)O[C@@H](C)C(=O)N 8d06900fe77e6548ef6327eca84957fd [0,2,0,0,0,0|2,0,0]=4 8597 B13R0.284 C=CCCCC[C@@H](C)O[C@@H](C)C(=O)O 98361deda323d0dec7522f10d94b003f [0,2,0,0,0,0|1,0,0]=3 8598 B13R0.284 C=CCCCC[C@@H](C)O[C@@H](F)C(=O)O 5cc5b770943c5c0149980317a987c1e5 [0,2,0,0,0,0|1,0,0]=3 8599 B13R0.284 C=CCCCC[C@@H](C)O[C@H](C)C(=O)N fd44592507debd8794506eab2a029086 [0,2,0,0,0,0|2,0,0]=4 8600 B13R0.284 C=CCCCC[C@@H](C)O[C@H](C)C(=O)O e7ae0b9e674dfd2979ccdcef5d4206c9 [0,2,0,0,0,0|1,0,0]=3 8601 B13R0.284 C=CCOCCN(C)C[C@H](O)C(=O)O 0801a6106890e5dfe514ef34b13bd005 [0,2,0,0,0,0|2,0,0]=4 8602 B13R0.284 CN(CCCCC=O)C[C@H](O)C(=O)O ce48f30b26b721720e5652c33a73aeb1 [0,2,0,0,0,0|2,0,0]=4 8603 B13R0.413 C=CCCCCCNC(C)(C)C(=O)C 095dc4b19cb4a2c0790d1153230003f7 [0,2,0,0,0,0|2,0,0]=4 8604 B13R0.413 C=CCCCCCNC(C)(C)C(=O)N 2807fae51f700b2907f5a5930b83311a [0,2,0,0,0,0|2,0,0]=4 8605 B13R0.413 C=CCCCCCNC(C)(C)C(=O)O 3b2dfd3821922939d4b6ef2d4e1c594b [0,2,0,0,0,0|1,0,0]=3 8606 B13R0.413 C=CCCCCNCC(C)(C)C(=O)F 49687c09f218b937ea98fa907f2c6192 [0,2,0,0,0,0|2,0,0]=4 8607 B13R0.413 C=CCCCCNCC(C)(C)C(=O)N 18b4f7791b67b8160fe3fc5ad7988599 [0,2,0,0,0,0|2,0,0]=4 8608 B13R0.413 C=CCCCCNCC(C)(C)C(=O)O ccc3a4acf32f718fbf7b75f3bcd94e70 [0,2,0,0,0,0|1,0,0]=3 8609 B13R0.413 C=CCCCCNCC(C)(O)C(=O)O 630bf1cc51b2cfd272a9cd11254f8b46 [0,2,0,0,0,0|1,0,0]=3 8610 B13R0.413 C=CCCCCNCC(F)(F)C(=O)O 0c4b37798136f6d84f2c4edcb5e5a437 [0,2,0,0,0,0|1,0,0]=3 8611 B13R0.413 C=CCCCCNC[C@@](C)(O)C(=O)O 84eee728dc3e6e3e7c5f6cc07591ea2d [0,2,0,0,0,0|1,0,0]=3 8612 B13R0.413 C=CCCCCNC[C@](C)(O)C(=O)O 0499afc8750b8c97e0856dc4fe044b56 [0,2,0,0,0,0|1,0,0]=3 8613 B13R0.413 C=CCCCCOCC(C)(C)C(=O)C 20c4b4900cda27758fff92b76ce2fca6 [0,2,0,0,0,0|2,0,0]=4 8614 B13R0.413 C=CCCCCOCC(C)(C)C(=O)F f7b56070d7091f7614f6d52dcb67bb84 [0,2,0,0,0,0|2,0,0]=4 8615 B13R0.413 C=CCCCCOCC(C)(C)C(=O)N 7da9699e3669c35fe886e3bd0e6459fa [0,2,0,0,0,0|2,0,0]=4 8616 B13R0.413 C=CCCCCOCC(C)(C)C(=O)O d49e49c785d0423926450f0f46545aec [0,2,0,0,0,0|1,0,0]=3 8617 B13R0.413 C=CCCCCOCC(C)(O)C(=O)O b976a15a89fa7ea5b80dd1ec74f6aaa1 [0,2,0,0,0,0|1,0,0]=3 8618 B13R0.413 C=CCCCCOC[C@@](C)(O)C(=O)O 30ea1fada3ea48a092f67b360dc432f4 [0,2,0,0,0,0|1,0,0]=3 8619 B13R0.413 C=CCCCCOC[C@](C)(O)C(=O)O 24d1cf80640f6ea8c1b0b45ee7e1b751 [0,2,0,0,0,0|1,0,0]=3 8620 B13R0.413 C=CCCCNCCC(C)(C)C(=O)O b079c449e68b7530bc38455ef0c8c83e [0,2,0,0,0,0|1,0,0]=3 8621 B13R0.413 C=CCCCOCCC(C)(C)C(=O)N 55484e639cf1d84c65fc3081ef5f5a69 [0,2,0,0,0,0|2,0,0]=4 8622 B13R0.413 C=CCOCCNCC(C)(C)C(=O)O 92e918dd04c141ff63c3e668a8578319 [0,2,0,0,0,0|2,0,0]=4 8623 B13R0.413 C=CCOCCNCC(F)(F)C(=O)O 9a0e20ea583f77e50d92d7213edb7c85 [0,2,0,0,0,0|2,0,0]=4 8624 B13R0.413 C=CCOCCOCC(C)(C)C(=O)O 8e146f744888a4129df74f80352baa3d [0,2,0,0,0,0|2,0,0]=4 8625 B13R0.413 C=CCOCCOCC(C)(O)C(=O)O ed856643e7fc7d415cfe23fcbc61b8a1 [0,2,0,0,0,0|2,0,0]=4 8626 B13R0.413 C=CCOCCOC[C@@](C)(O)C(=O)O f1d2a2bed57213eb4c83fef0f4e6f071 [0,2,0,0,0,0|2,0,0]=4 8627 B13R0.413 C=CCOCCOC[C@](C)(O)C(=O)O 31cf3524ae3f8ee75981d60a678147a8 [0,2,0,0,0,0|2,0,0]=4 8628 B13R0.413 C=COCCCNCC(C)(C)C(=O)O 38602882e1405a8bbb926f22d5d3e1a0 [0,2,0,0,0,0|2,0,0]=4 8629 B13R0.413 C=COCCCNCC(C)(O)C(=O)O fe4ff14cc4a5d9cee2e6c4c6972d0bbb [0,2,0,0,0,0|2,0,0]=4 8630 B13R0.413 C=COCCCNC[C@@](C)(O)C(=O)O 48aa55749887d18b74f18307a3ddc2c4 [0,2,0,0,0,0|2,0,0]=4 8631 B13R0.413 C=COCCCNC[C@](C)(O)C(=O)O 7943cc1f77262c0d9696bd9a0a707a4c [0,2,0,0,0,0|2,0,0]=4 8632 B13R0.413 CC(C)(CCNCCCC=O)C(=O)O 693e5ee64bf58423c7a77e24d2a42f06 [0,2,0,0,0,0|2,0,0]=4 8633 B13R0.413 CC(C)(CNCCCCC=O)C(=O)O 74958bd5a27f77a09d6f9ffeb67a7774 [0,2,0,0,0,0|2,0,0]=4 8634 B13R0.413 CC(C)(COCCCCC=O)C(=O)O 4f3ee45c47336856e2fb868cd6bdd86e [0,2,0,0,0,0|2,0,0]=4 8635 B13R0.413 CC(C)(NCCCCCC=O)C(=O)O 2481c90fa4fbe6fb4117ad7a4f51a5f9 [0,2,0,0,0,0|2,0,0]=4 8636 B13R0.413 CC(O)(COCCCCC=O)C(=O)O f4de4048bf3e2a5d1ec67e3b27747c01 [0,2,0,0,0,0|2,0,0]=4 8637 B13R0.413 C[C@@](O)(COCCCCC=O)C(=O)O 26295bbe2322e6fc2331a807099b7d81 [0,2,0,0,0,0|2,0,0]=4 8638 B13R0.413 C[C@](O)(COCCCCC=O)C(=O)O 91d85014c5db3d8094f8cfc7538ee2cf [0,2,0,0,0,0|2,0,0]=4 8639 B13R0.413 O=CCCCCNCC(F)(F)C(=O)O c6321ead44d6a496cee2975c311b86a6 [0,2,0,0,0,0|2,0,0]=4 8640 B13R0.95 C=CCC(C)CNC(C)CCC(=O)O 59a0971737e9130095ccf810cea2acc2 [0,2,0,0,0,0|1,0,0]=3 8641 B13R0.95 C=CCC(C)CN[C@@H](C)CCC(=O)O e5bb747a035654b5b84098c2b5a26fd0 [0,2,0,0,0,0|1,0,0]=3 8642 B13R0.95 C=CCC(C)COC(C)CCC(=O)O 1c6378b80a87aed4a4306ac7ad74b53b [0,2,0,0,0,0|1,0,0]=3 8643 B13R0.95 C=CCC(O)CNC(C)CCC(=O)O d59011df2fa1e1110528e9888690b0a8 [0,2,0,0,0,0|1,0,0]=3 8644 B13R0.285 C=CC(CCC(=O)O)NCCCC=O 706c8178d813284de0b4588dd09dda60 [0,2,0,0,0,0|2,0,0]=4 8645 B13R0.285 C=CCCCCN(CC)CCC(=O)N 76e84dd3e80eb826a40e1b9d2cd79baa [0,2,0,0,0,0|2,0,0]=4 8646 B13R0.285 C=CCCCNC(C=C)CCC(=O)O 2c15fe65909d639b3dbd85228ee22281 [0,2,0,0,0,0|1,0,0]=3 8647 B13R0.285 C=CCCCN[C@H](C=C)CCC(=O)O 75a01699c5cb2df2d38c54cf504469b7 [0,2,0,0,0,0|1,0,0]=3 8648 B13R0.285 C=C[C@H](CCC(=O)O)NCCCC=O 5582d1acd2091225ae5c51c8a19b312d [0,2,0,0,0,0|2,0,0]=4 8649 B13R0.1167 C=CCCCNC(C)(C)CCC(=O)O be40750d87108e720bae7ab032df9696 [0,2,0,0,0,0|1,0,0]=3 8650 B13R0.1167 CC(C)(CCC(=O)O)NCCCC=O ee022d239aadaba8765c04f2648781d1 [0,2,0,0,0,0|2,0,0]=4 8651 B13R0.231 C=CCC(C)(C)COCCCC(=O)C f5da2cd40f1bb9c37c8061da2c1e2e21 [0,2,0,0,0,0|2,0,0]=4 8652 B13R0.231 C=CCC(C)(C)COCCCC(=O)N 8293bda3d0ce62420222de5aacde4a33 [0,2,0,0,0,0|2,0,0]=4 8653 B13R0.231 C=CCC(C)(C)COCCCC(=O)O a1a7ab4ef4fad4687d9a1381a23b0afc [0,2,0,0,0,0|1,0,0]=3 8654 B13R0.313 C=CCC(C=C)OCCCCC(=O)C 2898d1401c33a6f1e9cae80ac22a1299 [0,2,0,0,0,0|2,0,0]=4 8655 B13R0.313 C=CCC(C=C)OCCCCC(=O)N ce4ee11411229ce54512e8de6415c3c3 [0,2,0,0,0,0|2,0,0]=4 8656 B13R0.313 C=CCC(C=C)OCCCCC(=O)O d415b07441a4c81932b42694d1fd8fc2 [0,2,0,0,0,0|1,0,0]=3 8657 B13R0.313 C=CCC(C=C)OCCOCC(=O)O a636cc1e4803db979ac8234c746e15db [0,2,0,0,0,0|2,0,0]=4 8658 B13R0.313 C=CCN(C#N)CCCCCC(=O)C 7d7add73a75112649b8224d538d5db84 [0,2,0,0,0,0|2,0,0]=4 8659 B13R0.313 C=CCN(C#N)CCCCCC(=O)N a3846a230619bd5d6ef0c32821027094 [0,2,0,0,0,0|2,0,0]=4 8660 B13R0.313 C=CCN(C#N)CCCCCC(=O)O 5f188718cb871ee8fc5544ed389f42a8 [0,2,0,0,0,0|1,0,0]=3 8661 B13R0.313 C=CCN(C#N)CCCOCC(=O)O 51f817bd1936a7bd10696b625f8f6be7 [0,2,0,0,0,0|2,0,0]=4 8662 B13R0.313 C=CCN(C#N)CCOCCC(=O)O 1f7d25d5945b9b3dc407f244c0519713 [0,2,0,0,0,0|2,0,0]=4 8663 B11R1.24 C=CCCN1CCCC(=O)C1 38b7fa03520ced56a16464df3b56578c [1,0,0,1,0,0|2,0,0]=4 8664 B11R1.24 C=CCOC1CCCC(=O)C1 00c799e2473105c732a7980796ffed52 [1,0,0,1,0,0|2,0,0]=4 8665 B11R1.27 C=CCCOC1CCC(=O)C1 fd54d8036bd94d9555077b66122c0008 [1,0,0,1,0,0|2,0,0]=4 8666 B11R1.27 C=CCNCC1CCC(=O)N1 916fc711520fab5ae4f96db1437baa7b [1,0,0,1,0,0|2,0,0]=4 8667 B11R1.27 C=CCNC[C@@H]1CCC(=O)N1 3a5a7e2902e446d5d343a1710035875a [1,0,0,1,0,0|2,0,0]=4 8668 B11R1.27 C=CCNC[C@H]1CCC(=O)N1 d07f9cd8e5b93889c0c4d5120b6191f3 [1,0,0,1,0,0|2,0,0]=4 8669 B11R1.27 C=CCOCC1CCC(=O)C1 31e4c50f23466d58e33af937bfe3a722 [1,0,0,1,0,0|2,0,0]=4 8670 B11R1.27 C=CCOCC1CCC(=O)N1 025beb44fe5ff9e4257cd15afc88ca60 [1,0,0,1,0,0|2,0,0]=4 8671 B11R1.27 C=CCOCC1CCC(=O)O1 e971373e4782bd5fc55423a18d2dcc75 [1,0,0,1,0,0|1,0,0]=3 8672 B11R1.27 C=CCOC[C@@H]1CCC(=O)C1 06794311633acbde96db7e6c525a26ec [1,0,0,1,0,0|2,0,0]=4 8673 B11R1.27 C=CCOC[C@@H]1CCC(=O)N1 220b50c37ebc429716e8ab915c84200c [1,0,0,1,0,0|2,0,0]=4 8674 B11R1.27 C=CCOC[C@@H]1CCC(=O)O1 503d8391f69e2b2d3e357e787e103d33 [1,0,0,1,0,0|1,0,0]=3 8675 B11R1.27 C=CCOC[C@H]1CCC(=O)N1 22f6d404b02d337817dfd143cc415d83 [1,0,0,1,0,0|2,0,0]=4 8676 B11R1.27 C=CCOC[C@H]1CCC(=O)O1 f474b21f3a5384208a0bd917e9cf6369 [1,0,0,1,0,0|1,0,0]=3 8677 B11R1.27 CCCNCC1CCC(=O)O1 192e1b88d26e187571243f52c87c3f25 [1,0,0,1,0,0|1,0,1]=4 8678 B11R1.27 CCCOCC1CCC(=O)O1 e9e82695e85d6e35f1d9b435b1472756 [1,0,0,1,0,0|1,0,1]=4 8679 B11R1.27 CCCOC[C@@H]1CCC(=O)O1 451cbd28723ca3d63ce2083daa5f1a8b [1,0,0,1,0,0|1,0,1]=4 8680 B11R1.27 CCCOC[C@H]1CCC(=O)O1 ba98c0589f5943fe8be2745df7bb5cb9 [1,0,0,1,0,0|1,0,1]=4 8681 B11R1.27 O=C1CCC(O1)CNCCBr 82ef3f4c05c4710243d0b911a82bb0c8 [1,0,0,1,0,0|2,0,0]=4 8682 B11R1.27 O=C1CCC(O1)CNCCF 8baa362bf9ce2cffff95686b955a48f5 [1,0,0,1,0,0|2,0,0]=4 8683 B11R1.27 O=C1CCC(O1)CNCCI 49baa9b0b225cbb33d16cffa4453cd53 [1,0,0,1,0,0|2,0,0]=4 8684 B11R1.27 O=C1CCC(O1)CNCCO 4ad376a826e33a8656380aea4cf82844 [1,0,0,1,0,0|2,0,0]=4 8685 B11R1.27 O=C1CCC(O1)CNCCS 3a200e3011103e4ea340eed1245f9bfa [1,0,0,1,0,0|2,0,0]=4 8686 B11R1.27 O=C1CCC(O1)COCCF 8b44256d489d669b66439448a3a08d3d [1,0,0,1,0,0|2,0,0]=4 8687 B11R1.27 O=C1CCC(O1)COCCS 9734e369e040cd029edb505263aadd13 [1,0,0,1,0,0|2,0,0]=4 8688 B11R1.27 O=C1CC[C@@H](O1)COCCF 5a8f953a3f7988df8b786a07995f5d8a [1,0,0,1,0,0|2,0,0]=4 8689 B11R1.27 O=C1CC[C@@H](O1)COCCS 4ce048852a979776f4ad91b5ae881e40 [1,0,0,1,0,0|2,0,0]=4 8690 B11R1.27 O=C1CC[C@H](O1)COCCF a337c2cae5bb20c253e43c29c8e26538 [1,0,0,1,0,0|2,0,0]=4 8691 B11R1.27 O=C1CC[C@H](O1)COCCS 0b9030b2f233b188f2ccd225b3a07b89 [1,0,0,1,0,0|2,0,0]=4 8692 B11R1.27 O=CCOCC1CCC(=O)O1 5d1f7e7b7f2ff3d5be0237d3267d68ba [1,0,0,1,0,0|2,0,0]=4 8693 B11R1.27 O=CCOC[C@@H]1CCC(=O)O1 c3d96ecba9757c2e9d6e9da68d27266e [1,0,0,1,0,0|2,0,0]=4 8694 B11R1.27 O=CCOC[C@H]1CCC(=O)O1 82b3e829a4d4863e10d75e023549d527 [1,0,0,1,0,0|2,0,0]=4 8695 B11R1.53 CCN1CCCCC1C(=O)O 48e64a80b74ee0d57ef5f2c51793a0e0 [1,0,0,1,0,0|1,0,1]=4 8696 B11R1.53 CCN1CCCC[C@@H]1C(=O)O ffabe4d2c3400a07ec9d9a1b02445d18 [1,0,0,1,0,0|1,0,1]=4 8697 B11R1.53 CCN1CCCC[C@H]1C(=O)O bfa902a3d396d93371caf449fec9a938 [1,0,0,1,0,0|1,0,1]=4 8698 B11R1.53 O=C(O)C1CCCCN1CF 34780400456104861d4e67d872dd68cc [1,0,0,1,0,0|2,0,0]=4 8699 B11R1.53 O=C(O)C1CCCCN1CO 830196dd603a43de36b162d205ac7bc0 [1,0,0,1,0,0|2,0,0]=4 8700 B11R1.53 O=C(O)[C@@H]1CCCCN1CF b60cc8661b897ad6dadfa25aed592a67 [1,0,0,1,0,0|2,0,0]=4 8701 B11R1.53 O=C(O)[C@@H]1CCCCN1CO 1797d9998a13c93a688e0dced50d88f8 [1,0,0,1,0,0|2,0,0]=4 8702 B11R1.53 O=C(O)[C@H]1CCCCN1CF ed9720e01c313c693f0b3f314ea15507 [1,0,0,1,0,0|2,0,0]=4 8703 B11R1.53 O=C(O)[C@H]1CCCCN1CO ae5de522198bb26e4b7ecb78dfb11746 [1,0,0,1,0,0|2,0,0]=4 8704 B11R1.57 CCC1CCCN1CC(=O)O c31ac8bd4b3eeed7b5beb09db1545ade [1,0,0,1,0,0|1,0,1]=4 8705 B11R1.57 CCN1CCCC1CC(=O)O 8035896eb0b4ccf9532ccab0532ab2dc [1,0,0,1,0,0|1,0,1]=4 8706 B11R1.57 CCN1CCC[C@@H]1CC(=O)O 078da1d03ae15c1dbe297412c6b8c765 [1,0,0,1,0,0|1,0,1]=4 8707 B11R1.57 CCN1CCC[C@H]1CC(=O)O e31ed026b01212112bf4b9b75bdf0a78 [1,0,0,1,0,0|1,0,1]=4 8708 B11R1.57 CC[C@@H]1CCCN1CC(=O)O fcbfc0397f95ebb582b031ed6c75b8f9 [1,0,0,1,0,0|1,0,1]=4 8709 B11R1.57 O=C(O)CC1CCCN1CF 3a287768ef1b7da7171a674ab376bf68 [1,0,0,1,0,0|2,0,0]=4 8710 B11R1.57 O=C(O)CC1CCCN1CO 78657bf49c2c1b688e1cc7669dba9593 [1,0,0,1,0,0|2,0,0]=4 8711 B11R1.57 O=C(O)CN1CCCC1CO 18fd863028aad275999bc40f6d591e61 [1,0,0,1,0,0|2,0,0]=4 8712 B11R1.57 O=C(O)CN1CCC[C@@H]1CF 263fe6a95009679abd398b22b26de003 [1,0,0,1,0,0|2,0,0]=4 8713 B11R1.57 O=C(O)CN1CCC[C@@H]1CO c0e96541a04d6ea32d8c88e1d4d3476d [1,0,0,1,0,0|2,0,0]=4 8714 B11R1.57 O=C(O)CN1CCC[C@H]1CF b4a8362b840c2d285203cd7edfef101f [1,0,0,1,0,0|2,0,0]=4 8715 B11R1.57 O=C(O)CN1CCC[C@H]1CO 09199b79d3f006b679a7584910181061 [1,0,0,1,0,0|2,0,0]=4 8716 B11R1.57 O=C(O)C[C@@H]1CCCN1CF 328c792f31f63a96fa9363b323d175d3 [1,0,0,1,0,0|2,0,0]=4 8717 B11R1.57 O=C(O)C[C@@H]1CCCN1CO 0e5cbe2fc4622eadc3c287c533b5b280 [1,0,0,1,0,0|2,0,0]=4 8718 B11R1.57 O=C(O)C[C@H]1CCCN1CF 616b727bab28ac72371577c1d1597e86 [1,0,0,1,0,0|2,0,0]=4 8719 B11R1.57 O=C(O)C[C@H]1CCCN1CO 73db8aa3e045ecef15245ee6b0a1259b [1,0,0,1,0,0|2,0,0]=4 8720 B11R1.78 C=CCCCNC1CC(=O)C1 b117b8895d9762cd17c9761517affb61 [1,0,0,1,0,0|2,0,0]=4 8721 B11R1.78 C=CCCCOC1CC(=O)C1 9064779a01d5fe6980475984e0f78d3f [1,0,0,1,0,0|2,0,0]=4 8722 B11R1.78 C=CCCNCC1CC(=O)C1 ed06878cea7101457fdef84f44559f1e [1,0,0,1,0,0|2,0,0]=4 8723 B11R1.78 C=CCCNCC1CC(=O)N1 0116fecb46bd22216802cbe614ec85c8 [1,0,0,1,0,0|2,0,0]=4 8724 B11R1.78 C=CCCNCC1CC(=O)O1 849be1b03e153899bb235e12a23e934e [1,0,0,1,0,0|1,0,0]=3 8725 B11R1.78 C=CCCOCC1CC(=O)C1 ce7ffe966853140b40503b7fae03f232 [1,0,0,1,0,0|2,0,0]=4 8726 B11R1.78 C=CCCOCC1CC(=O)N1 5dca998726dc062d3e8969133e5c2275 [1,0,0,1,0,0|2,0,0]=4 8727 B11R1.78 C=CCCOCC1CC(=O)O1 3185fc1807543f581f08fe1098402624 [1,0,0,1,0,0|1,0,0]=3 8728 B11R1.78 C=CCCOC[C@@H]1CC(=O)N1 58d1a4cb711577585cc2d7cd3c4314fa [1,0,0,1,0,0|2,0,0]=4 8729 B11R1.78 C=CCCOC[C@H]1CC(=O)N1 0d88502b23c3465a5d65b02ef75d6497 [1,0,0,1,0,0|2,0,0]=4 8730 B11R1.78 CCCCNCC1CC(=O)O1 e3a9828b8100c66b7349fbff08f11eda [1,0,0,1,0,0|1,0,1]=4 8731 B11R1.78 CCCCOCC1CC(=O)O1 975087ca287ad7024709ba55827da77c [1,0,0,1,0,0|1,0,1]=4 8732 B11R1.78 O=C1CC(O1)CNCCCCl b4d0339b38568b213ddddb64e201bda2 [1,0,0,1,0,0|2,0,0]=4 8733 B11R1.78 O=C1CC(O1)CNCCCO 0bba0dedb8654a85af1233bcfab7f6f9 [1,0,0,1,0,0|2,0,0]=4 8734 B11R1.78 O=C1CC(O1)COCCCF e49dbaca1d219fcc1d39e0d2c9d89b78 [1,0,0,1,0,0|2,0,0]=4 8735 B11R1.78 O=C1CC(O1)COCCCS 9dda27cb8e14d45b1dba7e7fad2d6e18 [1,0,0,1,0,0|2,0,0]=4 8736 B11R1.78 O=CCCOCC1CC(=O)O1 f4104505826f528b66276936755bbaf0 [1,0,0,1,0,0|2,0,0]=4 8737 B11R1.86 CC1CCCCN1CC(=O)O ae84160ac6931f8f66d20194a2549691 [1,0,0,1,0,0|1,0,1]=4 8738 B11R1.86 C[C@@H]1CCCCN1CC(=O)O e977167422de3a18af9f7c21c4b88fdb [1,0,0,1,0,0|1,0,1]=4 8739 B11R1.86 C[C@H]1CCCCN1CC(=O)O b00078cb16b191d42880e0e45b0eac26 [1,0,0,1,0,0|1,0,1]=4 8740 B11R1.90 CC1CCCC1OCC(=O)O 8b302fdcccb2e5b0cbc05eb78f61b043 [1,0,0,1,0,0|1,0,1]=4 8741 B11R1.90 CC1CCCN1CCC(=O)O 5dcf506a51a046fb0501db2e405b0462 [1,0,0,1,0,0|1,0,1]=4 8742 B11R1.90 C[C@@H]1CCCN1CCC(=O)O 96dc0a47aa28ac6e47d8d4bf1e71e990 [1,0,0,1,0,0|1,0,1]=4 8743 B11R1.90 C[C@@H]1CCC[C@@H]1OCC(=O)O 735a45401cd3b3bbab8ed3fa02f5be83 [1,0,0,1,0,0|1,0,1]=4 8744 B11R1.90 C[C@@H]1CCC[C@H]1OCC(=O)O 1c7967d6457face00634b93870635bd7 [1,0,0,1,0,0|1,0,1]=4 8745 B11R1.90 C[C@H]1CCCN1CCC(=O)O 15177369ccddfffa267e0f1ea23ee8e6 [1,0,0,1,0,0|1,0,1]=4 8746 B11R1.90 C[C@H]1CCC[C@@H]1OCC(=O)O 1011d83d813a08e7d91c46348c016f66 [1,0,0,1,0,0|1,0,1]=4 8747 B11R1.90 C[C@H]1CCC[C@H]1OCC(=O)O 41f392f14989d15a78b37a9a4a93f045 [1,0,0,1,0,0|1,0,1]=4 8748 B11R1.90 O=C(O)CCN1CCCC1O 3c721be2a5f13d4f83ec3fdb254a149f [1,0,0,1,0,0|2,0,0]=4 8749 B11R1.90 O=C(O)CNC1CCCC1O 4ebe649c114bd55216e6381c318bf421 [1,0,0,1,0,0|2,0,0]=4 8750 B11R1.90 O=C(O)CN[C@@H]1CCC[C@@H]1O 4e3c6cfcceaae1d8e09f0b43011ac18b [1,0,0,1,0,0|2,0,0]=4 8751 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 0004ed21fdc2e98760db8a34ad8da636 [1,0,0,1,0,0|2,0,0]=4 8752 B11R1.90 O=C(O)CN[C@H]1CCC[C@@H]1O 83d9e7b37b03d01fa38520665b96bcfa [1,0,0,1,0,0|2,0,0]=4 8753 B11R1.90 O=C(O)CN[C@H]1CCC[C@H]1O 489d3fcb2f42477c58cba9671541d376 [1,0,0,1,0,0|2,0,0]=4 8754 B11R1.90 O=C(O)COC1CCCC1=O de7a2320c8b4a9fc7111197b63c3342f [1,0,0,1,0,0|2,0,0]=4 8755 B11R1.90 O=C(O)CO[C@@H]1CCC[C@H]1F b444918d808f918451551dfb25df770b [1,0,0,1,0,0|2,0,0]=4 8756 B11R1.91 CC(=O)CNC1C=CCCC1 a6a0afd5d2f8785ec168463102c3a7f0 [1,0,0,1,0,0|2,0,0]=4 8757 B11R1.91 CC(=O)COC1C=CCCC1 4a9c7793b48aa95192a70b82c4f26c86 [1,0,0,1,0,0|2,0,0]=4 8758 B11R1.91 NC(=O)CNC1C=CCCC1 b04f16151300b247237eec3cc2859bd8 [1,0,0,1,0,0|2,0,0]=4 8759 B11R1.91 NC(=O)COC1C=CCCC1 685f8fbd1472783d4b11bbc3863a0643 [1,0,0,1,0,0|2,0,0]=4 8760 B11R1.91 O=C(O)CNC1C=CCCC1 147d1e75bf7adad4c08e083c7ce404a0 [1,0,0,1,0,0|1,0,0]=3 8761 B11R1.91 O=C(O)CNC1CCCCC1 6170fa39da854f2ae539e4442d25e354 [1,0,0,1,0,0|1,0,1]=4 8762 B11R1.91 O=C(O)CNC1CCCCO1 0601744de8bfaeac3efa0eaae34b0e2a [1,0,0,1,0,0|2,0,0]=4 8763 B11R1.91 O=C(O)COC1C=CCCC1 c3f7e6b0d0e179c5212602af0da237e3 [1,0,0,1,0,0|1,0,0]=3 8764 B11R1.91 O=C(O)COC1CCCCC1 c56b55e54d9cc9b734edcd0ed0978f43 [1,0,0,1,0,0|1,0,1]=4 8765 B11R1.91 O=C(O)COC1CCCCO1 927e1af2807bd3dd35f5b1bd3c90f17b [1,0,0,1,0,0|2,0,0]=4 8766 B11R1.91 O=S(O)COC1C=CCCC1 f94c7d573c3472b38805078d264fadc4 [1,0,0,1,0,0|2,0,0]=4 8767 B11R1.102 C=C1CC1COCCC(=O)C 8fe0ad6f3beeee69b8a0e72289480689 [1,0,0,1,0,0|2,0,0]=4 8768 B11R1.102 C=C1CC1COCCC(=O)N f7dbe30f2395c96df14b67e8e9adb9c8 [1,0,0,1,0,0|2,0,0]=4 8769 B11R1.102 C=C1CC1COCCC(=O)O 797320bf812ba56d825763d33e9df874 [1,0,0,1,0,0|1,0,0]=3 8770 B11R1.102 CC1CC1COCCC(=O)O 773712793f8aef5614fac0ce57ff0614 [1,0,0,1,0,0|1,0,1]=4 8771 B11R1.102 CC1CC1NCCCC(=O)O 37df332ae5d4d4f9c451847d09793c25 [1,0,0,1,0,0|1,0,1]=4 8772 B11R1.102 C[C@@H]1C[C@H]1COCCC(=O)O b04546ed4019019678c03576307d9df4 [1,0,0,1,0,0|1,0,1]=4 8773 B11R1.102 C[C@H]1C[C@@H]1COCCC(=O)O 8d43531bace86502c95a01dd267efeb3 [1,0,0,1,0,0|1,0,1]=4 8774 B11R1.102 C[C@H]1C[C@H]1COCCC(=O)O 45bb13f4739bfb28c1dc01c4211d6306 [1,0,0,1,0,0|1,0,1]=4 8775 B11R1.102 O=C(O)CCCN[C@@H]1C[C@H]1F ed86a609fdcc7a669998dbad81cac887 [1,0,0,1,0,0|2,0,0]=4 8776 B11R1.102 O=C(O)CCCN[C@H]1C[C@@H]1F dd584ee64dbea50e944425ca726170d1 [1,0,0,1,0,0|2,0,0]=4 8777 B11R1.102 O=C(O)CCCN[C@H]1C[C@H]1F 00a4991f651cdbee366fd2c1ea68a241 [1,0,0,1,0,0|2,0,0]=4 8778 B11R1.102 O=C(O)CCOC[C@@H]1C[C@@H]1F a891c75a20948e3157a539936d15ae73 [1,0,0,1,0,0|2,0,0]=4 8779 B11R1.102 O=C(O)CCOC[C@@H]1C[C@H]1F c9111355f45015e1d0f12022a9368b07 [1,0,0,1,0,0|2,0,0]=4 8780 B11R1.102 O=C(O)CCOC[C@H]1C[C@@H]1F bd9a3a02c1dbf93b83616e83a45d9520 [1,0,0,1,0,0|2,0,0]=4 8781 B11R1.102 O=C(O)CCOC[C@H]1C[C@H]1F c9d53cc0e1838f24c82efffa61ff69a5 [1,0,0,1,0,0|2,0,0]=4 8782 B11R1.113 C=CCN1CCC1CC(=O)O ea7bfcdd90a0592bd642e8fbdefbbaf7 [1,0,0,1,0,0|1,0,0]=3 8783 B11R1.113 CCCN1CCC1CC(=O)O eb9847c838c016909ff9e9544b4f5356 [1,0,0,1,0,0|1,0,1]=4 8784 B11R1.113 O=C(O)CC1CCN1CCF 350b881e50ea2024785ef0ed4799be8b [1,0,0,1,0,0|2,0,0]=4 8785 B11R1.113 O=C(O)CC1CCN1CCO b8793d8aa6576585687a7f1b4d889d79 [1,0,0,1,0,0|2,0,0]=4 8786 B11R1.113 O=C(O)CC1CCN1CCS 708e5e4b7cb7ee63e813cf63ba7a1ffe [1,0,0,1,0,0|2,0,0]=4 8787 B11R1.113 O=C(O)CN1CCC1CCO d3131954bccb9b151f58378fff7b4f7f [1,0,0,1,0,0|2,0,0]=4 8788 B11R1.113 O=CCN1CCC1CC(=O)O 7112adb2f146621e62e877496a1ff0d7 [1,0,0,1,0,0|2,0,0]=4 8789 B11R1.161 C[C@@H]1CC[C@@H]1NCCC(=O)O aa0e60c33918eed9747e660c027563f0 [1,0,0,1,0,0|1,0,1]=4 8790 B11R1.161 C[C@@H]1CC[C@H]1NCCC(=O)O 37869c1af20a843bcf28deb296db7bde [1,0,0,1,0,0|1,0,1]=4 8791 B11R1.161 O=C(O)CCNC1CCC1F 5f57069ebfa5ab3c48d9665188949a5e [1,0,0,1,0,0|2,0,0]=4 8792 B11R1.161 O=C(O)CCNC1CCC1O b28a61bfa0f85d798abe2f472ec24946 [1,0,0,1,0,0|2,0,0]=4 8793 B11R1.161 O=C(O)CCN[C@@H]1CC[C@@H]1O cdc3f23228a4de76ef5e41d38975aff2 [1,0,0,1,0,0|2,0,0]=4 8794 B11R1.161 O=C(O)CCN[C@@H]1CC[C@H]1O 2b304f1dee31d2bf40059ef45946ae2c [1,0,0,1,0,0|2,0,0]=4 8795 B11R1.161 O=C(O)CCN[C@H]1CC[C@@H]1O d62324818d2937296e31a4fca88a19a3 [1,0,0,1,0,0|2,0,0]=4 8796 B11R1.161 O=C(O)CCN[C@H]1CC[C@H]1O ce935610e0952e1ff53e868d5791027e [1,0,0,1,0,0|2,0,0]=4 8797 B11R1.161 O=C(O)COCC1CCC1=O 52d6482c82de2e2045ef3903ee148b77 [1,0,0,1,0,0|2,0,0]=4 8798 B11R1.161 O=C(O)COCC1CCC1F 3761a1d391388f8fb3ef976d5e887bcd [1,0,0,1,0,0|2,0,0]=4 8799 B11R1.172 CC(=O)CCOC1C=CCC1 7970a63311fc789d2498c679e10c272e [1,0,0,1,0,0|2,0,0]=4 8800 B11R1.172 NC(=O)CCOC1C=CCC1 078087a8b9b740478924b6fc43393c64 [1,0,0,1,0,0|2,0,0]=4 8801 B11R1.172 NC(=O)COCC1C=CCC1 6bba1197ba01d16485dc06e1070c65c5 [1,0,0,1,0,0|2,0,0]=4 8802 B11R1.172 O=C(O)CCNC1CCCC1 cc87dbfa2423c2d2dc1bbd7e31f32e66 [1,0,0,1,0,0|1,0,1]=4 8803 B11R1.172 O=C(O)CCOC1C=CCC1 49a2f0a9e0560317646d0143572c5fb4 [1,0,0,1,0,0|1,0,0]=3 8804 B11R1.172 O=C(O)CCOC1CCCC1 a78608f01bf2d90213806fa026bc85f0 [1,0,0,1,0,0|1,0,1]=4 8805 B11R1.172 O=C(O)CCOC1CCCO1 313411f21e8befe79033da76bc3cd22e [1,0,0,1,0,0|2,0,0]=4 8806 B11R1.172 O=C(O)CNCC1CCCC1 a418b6153ed46a2a6f91546a4f64b56b [1,0,0,1,0,0|1,0,1]=4 8807 B11R1.172 O=C(O)CNCC1CCCO1 ed95df039766cd0b443288b0d49fcc55 [1,0,0,1,0,0|2,0,0]=4 8808 B11R1.172 O=C(O)CNC[C@@H]1CCCO1 ac3327b32b8483564ff7dcddc1162c1c [1,0,0,1,0,0|2,0,0]=4 8809 B11R1.172 O=C(O)CNC[C@H]1CCCO1 83b5533196926e02a8eabf9074faf9bb [1,0,0,1,0,0|2,0,0]=4 8810 B11R1.172 O=C(O)COCC1C=CCC1 d563048ad0dbafa94d14d1868c6a31fe [1,0,0,1,0,0|1,0,0]=3 8811 B11R1.172 O=C(O)COCC1CCCC1 1a12f19c6aab26de4be4dc52bf7172ec [1,0,0,1,0,0|1,0,1]=4 8812 B11R1.172 O=C(O)COCC1CCCO1 60f7f5fc7516ca8e919f9c571b279434 [1,0,0,1,0,0|2,0,0]=4 8813 B11R1.172 O=C(O)COCC1CCCS1 d30770f71ca4fd8ba75025e47026df5a [1,0,0,1,0,0|2,0,0]=4 8814 B11R1.172 O=C(O)COC[C@@H]1CCCO1 363d7d055425870722a7d41976be2cde [1,0,0,1,0,0|2,0,0]=4 8815 B11R1.172 O=C(O)COC[C@H]1CCCO1 c883797efa974dbe4ef25cc3eb893b66 [1,0,0,1,0,0|2,0,0]=4 8816 B11R1.174 O=C(O)CCCNC1CCC1 5ce983248441f00c611d6f8d5f20c1bf [1,0,0,1,0,0|1,0,1]=4 8817 B11R1.174 O=C(O)CCCOC1CCC1 768c3041fc41550e6af0ddd7c673718a [1,0,0,1,0,0|1,0,1]=4 8818 B11R1.174 O=C(O)CCNCC1CCC1 82ce057190ac501fe24bca309fd6e48c [1,0,0,1,0,0|1,0,1]=4 8819 B11R1.174 O=C(O)CCNCC1CCO1 01b9658ec0f96c1db3f9c61d088436e0 [1,0,0,1,0,0|2,0,0]=4 8820 B11R1.174 O=C(O)CCNC[C@@H]1CCO1 2f3a9c3778993c9563995eb428878ce2 [1,0,0,1,0,0|2,0,0]=4 8821 B11R1.174 O=C(O)CCNC[C@H]1CCO1 03ec36e7e9657cdd22f627076644519c [1,0,0,1,0,0|2,0,0]=4 8822 B11R1.174 O=C(O)CCOCC1CCC1 538308fdd78afb9ed4902348844ff826 [1,0,0,1,0,0|1,0,1]=4 8823 B11R1.174 O=C(O)CCOCC1CCO1 033bb595f522940a9a71a47d10ba3f8d [1,0,0,1,0,0|2,0,0]=4 8824 B11R1.174 O=C(O)CCOC[C@@H]1CCO1 c2f0b83c9f00c33123af7de76c9d4aeb [1,0,0,1,0,0|2,0,0]=4 8825 B11R1.174 O=C(O)CCOC[C@H]1CCO1 4f78575a34da887b459d807983e2c6ad [1,0,0,1,0,0|2,0,0]=4 8826 B11R1.174 O=C(O)CNCCC1CCC1 84612f195dec18bf1f89fbacb630f1f5 [1,0,0,1,0,0|1,0,1]=4 8827 B11R1.174 O=C(O)CNCCC1CCO1 10c99e5b0ca9d4d9819ce9bdccb30510 [1,0,0,1,0,0|2,0,0]=4 8828 B11R1.174 O=C(O)CNCC[C@@H]1CCO1 920a32388327409a0234dd6b00d02dd4 [1,0,0,1,0,0|2,0,0]=4 8829 B11R1.174 O=C(O)COCCC1CCC1 21d3e323d3716ddd98978256d1ef52c5 [1,0,0,1,0,0|1,0,1]=4 8830 B11R1.174 O=C(O)COCCC1CCO1 f07fdc42d269db765ffff6302325a1ce [1,0,0,1,0,0|2,0,0]=4 8831 B11R1.174 O=C(O)COCC[C@@H]1CCO1 8265b1cb1777419d042caeb7ba25ef45 [1,0,0,1,0,0|2,0,0]=4 8832 B11R1.174 O=C(O)COCC[C@H]1CCO1 e309b2fc7d6f135b78ef32154f96eaec [1,0,0,1,0,0|2,0,0]=4 8833 B11R1.176 O=C(O)CCCCNC1CC1 8e77bc3df99a4dc09f67f8ea40340ff9 [1,0,0,1,0,0|1,0,1]=4 8834 B11R1.176 O=C(O)CCCCOC1CC1 8e0cdb33192fffe0accc6ff088fe2214 [1,0,0,1,0,0|1,0,1]=4 8835 B11R1.176 O=C(O)CCCNCC1CC1 a0ceb4980a80bcc8b85c45b81d00b29f [1,0,0,1,0,0|1,0,1]=4 8836 B11R1.176 O=C(O)CCNCCC1CC1 5226fae948a459ec4c75482c0489cd8f [1,0,0,1,0,0|1,0,1]=4 8837 B11R1.176 O=C(O)CCOCCC1CC1 2cd73a23cd9c696299470b6ca4a30071 [1,0,0,1,0,0|1,0,1]=4 8838 B11R1.176 O=C(O)COCCCC1CC1 811bc90ad70ebad21f64225f344212bf [1,0,0,1,0,0|1,0,1]=4 8839 B11R1.193 C=CCN1CCCC1C(=O)N abe886988cb7f402dae541679ddf88ee [1,0,0,1,0,0|2,0,0]=4 8840 B11R1.193 C=CCN1CCCC1C(=O)O 04e02c6cf42fb3a0ef3180882cc21851 [1,0,0,1,0,0|1,0,0]=3 8841 B11R1.193 C=CCN1CCC[C@@H]1C(=O)N 449924505d2ce35d2bbb17856281bce8 [1,0,0,1,0,0|2,0,0]=4 8842 B11R1.193 C=CCN1CCC[C@@H]1C(=O)O 4ac14934ed8ea443d1866bbf3a869a70 [1,0,0,1,0,0|1,0,0]=3 8843 B11R1.193 C=CCN1CCC[C@H]1C(=O)N a197aa02ab4761b8a2f401a974988069 [1,0,0,1,0,0|2,0,0]=4 8844 B11R1.193 C=CCN1CCC[C@H]1C(=O)O cb5dcba16b257c03e0ef374644209d4d [1,0,0,1,0,0|1,0,0]=3 8845 B11R1.193 C=CCN1CCSC1C(=O)O a984801d6a657b4b2701fc88910dfd75 [1,0,0,1,0,0|2,0,0]=4 8846 B11R1.193 C=CCN1CSCC1C(=O)O 433ddb5bee36f69f93aca508694301d8 [1,0,0,1,0,0|2,0,0]=4 8847 B11R1.193 C=CCN1CSC[C@@H]1C(=O)O 2048bb50620a963318134aa373b41345 [1,0,0,1,0,0|2,0,0]=4 8848 B11R1.193 C=CCN1CSC[C@H]1C(=O)O 25c7dce1686483f191a9ff264d505089 [1,0,0,1,0,0|2,0,0]=4 8849 B11R1.193 CCCN1CCCC1C(=O)O 4e7638d6e465e449e2846c4f858986b5 [1,0,0,1,0,0|1,0,1]=4 8850 B11R1.193 CCCN1CCC[C@@H]1C(=O)O a65b32b4a51d2d27a5db27b0d392a38d [1,0,0,1,0,0|1,0,1]=4 8851 B11R1.193 CCCN1CCC[C@H]1C(=O)O 033cfafcfdfb4af6deb3dd8bda7c1f7a [1,0,0,1,0,0|1,0,1]=4 8852 B11R1.193 CCN[C@@H]1CCC[C@@H]1C(=O)O b2ead36aea0026ad8ed16725daac4c95 [1,0,0,1,0,0|1,0,1]=4 8853 B11R1.193 CCN[C@H]1CCC[C@@H]1C(=O)O a1d8cdb84c1ab2cc4fea18698e55320b [1,0,0,1,0,0|1,0,1]=4 8854 B11R1.193 CCN[C@H]1CCC[C@H]1C(=O)O 440dea2e0cba6f26d509a31d9785c0da [1,0,0,1,0,0|1,0,1]=4 8855 B11R1.193 CCOC1CCCC1C(=O)O 6ad27e553386c0a619230f65cf1d4ee8 [1,0,0,1,0,0|1,0,1]=4 8856 B11R1.193 CCO[C@@H]1CCC[C@@H]1C(=O)O 51717747c2e0db16e69c0bef3ae1669c [1,0,0,1,0,0|1,0,1]=4 8857 B11R1.193 CCO[C@@H]1CCC[C@H]1C(=O)O 2f9295612b88cddd0cfa1365f5a6dac6 [1,0,0,1,0,0|1,0,1]=4 8858 B11R1.193 CCO[C@H]1CCC[C@H]1C(=O)O 6f30227e4b6c0e5ec303f7332c8a25fc [1,0,0,1,0,0|1,0,1]=4 8859 B11R1.193 O=C(O)C1CCCC1OCF 221b6e44990c505f847e6ea476a5b2bf [1,0,0,1,0,0|2,0,0]=4 8860 B11R1.193 O=C(O)C1CCCN1CCF 0037817eaf90c09486502ddef2cef7ee [1,0,0,1,0,0|2,0,0]=4 8861 B11R1.193 O=C(O)C1CCCN1CCO 02323466b00d5b3db258cac6faa71d97 [1,0,0,1,0,0|2,0,0]=4 8862 B11R1.193 O=C(O)C1CCCN1CCS 367736afa66da1e4285904289c65cdac [1,0,0,1,0,0|2,0,0]=4 8863 B11R1.193 O=C(O)[C@@H]1CCCN1CCF 5a8d7359c0e5bfb9c39a5805e38e909b [1,0,0,1,0,0|2,0,0]=4 8864 B11R1.193 O=C(O)[C@@H]1CCCN1CCO ea4e1f8ddd662905bdf353ccdeefaac3 [1,0,0,1,0,0|2,0,0]=4 8865 B11R1.193 O=C(O)[C@@H]1CCCN1CCS b22e0ff73dc1a6ffaa09ad78da27870c [1,0,0,1,0,0|2,0,0]=4 8866 B11R1.193 O=C(O)[C@@H]1CCC[C@@H]1NCF d2dc954a0af594d319fc00f35b9e6d45 [1,0,0,1,0,0|2,0,0]=4 8867 B11R1.193 O=C(O)[C@@H]1CCC[C@@H]1NCO edbeba536296e5ac2461e823518ccede [1,0,0,1,0,0|2,0,0]=4 8868 B11R1.193 O=C(O)[C@@H]1CCC[C@@H]1OCF 4c78155a0d36b8dfd114079cc3fa4a7a [1,0,0,1,0,0|2,0,0]=4 8869 B11R1.193 O=C(O)[C@@H]1CCC[C@H]1OCF 94b884409436cf3f44ca21e265bc6d44 [1,0,0,1,0,0|2,0,0]=4 8870 B11R1.193 O=C(O)[C@H]1CCCN1CCF f146a1d7287e4f1df93392aeed24f9da [1,0,0,1,0,0|2,0,0]=4 8871 B11R1.193 O=C(O)[C@H]1CCCN1CCO 0dfe3149168fd7335620ca286efb877f [1,0,0,1,0,0|2,0,0]=4 8872 B11R1.193 O=C(O)[C@H]1CCCN1CCS 266421005a3f5018c5d7c473810c7fd7 [1,0,0,1,0,0|2,0,0]=4 8873 B11R1.193 O=C(O)[C@H]1CCC[C@@H]1NCF 382c83b7e8097118f94a1bd03ca17ddb [1,0,0,1,0,0|2,0,0]=4 8874 B11R1.193 O=C(O)[C@H]1CCC[C@@H]1NCO 415db64b2a99e568f980f51c8ccd6689 [1,0,0,1,0,0|2,0,0]=4 8875 B11R1.193 O=C(O)[C@H]1CCC[C@H]1NCF 92ebc06c5a33e08f5f7967cb82455328 [1,0,0,1,0,0|2,0,0]=4 8876 B11R1.193 O=C(O)[C@H]1CCC[C@H]1NCO e10a84110579d44386cb06277e13de1b [1,0,0,1,0,0|2,0,0]=4 8877 B11R1.193 O=C(O)[C@H]1CCC[C@H]1OCF 3c79c23f3d7c54b05c716a7d0956740d [1,0,0,1,0,0|2,0,0]=4 8878 B11R1.193 O=CCN1CCCC1C(=O)O 7de9ca13b3da089b68cd97bac03df69b [1,0,0,1,0,0|2,0,0]=4 8879 B11R1.193 O=CCN1CCC[C@@H]1C(=O)O 016b18246e7228612d1cd9dfd9642256 [1,0,0,1,0,0|2,0,0]=4 8880 B11R1.193 O=CCN1CCC[C@H]1C(=O)O dd8db14c04d73065d388215a908b56f8 [1,0,0,1,0,0|2,0,0]=4 8881 B11R1.204 C=CCCN1CCC1C(=O)N 5235409ffe52afebc0eedd7f5b4bc633 [1,0,0,1,0,0|2,0,0]=4 8882 B11R1.204 C=CCCN1CCC1C(=O)O 1d34230b6274f4b4df12e6b909c2a3ee [1,0,0,1,0,0|1,0,0]=3 8883 B11R1.204 C=CCCN1CC[C@@H]1C(=O)N 4b75dd752cfa84db6cd841a345b24ead [1,0,0,1,0,0|2,0,0]=4 8884 B11R1.204 C=CCCN1CC[C@@H]1C(=O)O cc12471f3a7b983c2095798cf10725f3 [1,0,0,1,0,0|1,0,0]=3 8885 B11R1.204 C=CCCN1CC[C@H]1C(=O)N e50d6dc1a608f4bed74fbef10170f3ea [1,0,0,1,0,0|2,0,0]=4 8886 B11R1.204 C=CCCN1CC[C@H]1C(=O)O b824ccb712c0dd483d1835d9785d53c6 [1,0,0,1,0,0|1,0,0]=3 8887 B11R1.204 C=CCN[C@H]1CC[C@H]1C(=O)O 8f5a4dfe70cb453f3cd215bc3b6f95fc [1,0,0,1,0,0|1,0,0]=3 8888 B11R1.204 C=CCOC1CCC1C(=O)O f1210f669823cfa5232670161cd9f884 [1,0,0,1,0,0|1,0,0]=3 8889 B11R1.204 C=CCO[C@H]1CC[C@@H]1C(=O)O 48f9497300149ef9047ffe8c76ded960 [1,0,0,1,0,0|1,0,0]=3 8890 B11R1.204 CCCCN1CCC1C(=O)O 8298e08b6554f3fe7f1b8d755279c31e [1,0,0,1,0,0|1,0,1]=4 8891 B11R1.204 CCCCN1CC[C@@H]1C(=O)O 7dd5a4d96c5dcd3d04108d2107d57ba8 [1,0,0,1,0,0|1,0,1]=4 8892 B11R1.204 CCCCN1CC[C@H]1C(=O)O b7bbf6011c4c86be157fa03063191389 [1,0,0,1,0,0|1,0,1]=4 8893 B11R1.204 CCCN[C@H]1CC[C@H]1C(=O)O e4c0c939806a7fd20a2d3b482bededef [1,0,0,1,0,0|1,0,1]=4 8894 B11R1.204 CCCOC1CCC1C(=O)O 00da8a733746f7d0f18d57eb19dd8dae [1,0,0,1,0,0|1,0,1]=4 8895 B11R1.204 CCCO[C@H]1CC[C@@H]1C(=O)O 465aae9b3e97cc4fb1e524e0e4f66fde [1,0,0,1,0,0|1,0,1]=4 8896 B11R1.204 O=C(O)C1CCC1OCCF 6e49fc4f6d909158676d8d0e4af11484 [1,0,0,1,0,0|2,0,0]=4 8897 B11R1.204 O=C(O)C1CCC1OCCS 67b0593f569b8a7f366dc7714de420f3 [1,0,0,1,0,0|2,0,0]=4 8898 B11R1.204 O=C(O)C1CCN1CCCF 4ac2b68dcdb0bc7b8337bcf1271174d7 [1,0,0,1,0,0|2,0,0]=4 8899 B11R1.204 O=C(O)C1CCN1CCCO 8ab43805cb260b789eac396b2be4c346 [1,0,0,1,0,0|2,0,0]=4 8900 B11R1.204 O=C(O)C1CCN1CCCS dc3a33800184bdff4f9a34d8a473ab63 [1,0,0,1,0,0|2,0,0]=4 8901 B11R1.204 O=C(O)[C@@H]1CCN1CCCF 64813008ddf3a84f2a100959df402bfb [1,0,0,1,0,0|2,0,0]=4 8902 B11R1.204 O=C(O)[C@@H]1CCN1CCCO 79f7864e57e0122c81d71b3ae96f24ad [1,0,0,1,0,0|2,0,0]=4 8903 B11R1.204 O=C(O)[C@@H]1CCN1CCCS f91321534c17abdfc2e3e64859713cc0 [1,0,0,1,0,0|2,0,0]=4 8904 B11R1.204 O=C(O)[C@@H]1CC[C@@H]1NCCF 8dd71a99c1f8db750de649e7fa44294b [1,0,0,1,0,0|2,0,0]=4 8905 B11R1.204 O=C(O)[C@@H]1CC[C@@H]1NCCO 368174207c83a8cd03c05cf6ac29c1ce [1,0,0,1,0,0|2,0,0]=4 8906 B11R1.204 O=C(O)[C@@H]1CC[C@@H]1NCCS e0b833a28c1a0f8db0bfd58408f055e1 [1,0,0,1,0,0|2,0,0]=4 8907 B11R1.204 O=C(O)[C@H]1CCN1CCCF 07b70b85d8c145c1e6de616d4dbbead0 [1,0,0,1,0,0|2,0,0]=4 8908 B11R1.204 O=C(O)[C@H]1CCN1CCCO 1850db7d506395b58e97215892097e17 [1,0,0,1,0,0|2,0,0]=4 8909 B11R1.204 O=C(O)[C@H]1CCN1CCCS 9d215c744a1baf1f9f8cebc6889c92c9 [1,0,0,1,0,0|2,0,0]=4 8910 B11R1.204 O=C(O)[C@H]1CC[C@@H]1OCCF 273ca64d1a4c67ba8ca725f93fb9f403 [1,0,0,1,0,0|2,0,0]=4 8911 B11R1.204 O=C(O)[C@H]1CC[C@@H]1OCCS d98a4cf740a6eee3e5adcd6088eb707e [1,0,0,1,0,0|2,0,0]=4 8912 B11R1.204 O=CCCN1CCC1C(=O)O f13b2d3a1f7b49080efcbf9875a4508e [1,0,0,1,0,0|2,0,0]=4 8913 B11R1.204 O=CCCN1CC[C@@H]1C(=O)O 32b7c3da81ebf24c6c3fd69d590d2ced [1,0,0,1,0,0|2,0,0]=4 8914 B11R1.204 O=CCCN1CC[C@H]1C(=O)O 0b8ae54712af811622b0a3d8d47fa8c0 [1,0,0,1,0,0|2,0,0]=4 8915 B11R1.204 O=CCN[C@H]1CC[C@H]1C(=O)O 5888f3519d8b98924780b12c1bd230e8 [1,0,0,1,0,0|2,0,0]=4 8916 B11R1.204 O=CCOC1CCC1C(=O)O 9f6a96aef54a9c716492f04b4ffcb776 [1,0,0,1,0,0|2,0,0]=4 8917 B11R1.204 O=CCO[C@H]1CC[C@@H]1C(=O)O 40d0c38a9bbda3a5c90c5d4d2ebf2d9e [1,0,0,1,0,0|2,0,0]=4 8918 B11R1.241 O=C(O)CCN[C@@H]1C[C@H]1CO c4bd441ad5886f1eead964298715ce2f [1,0,0,1,0,0|2,0,0]=4 8919 B11R1.241 O=C(O)CCN[C@H]1C[C@@H]1CO 79879e320f2d02f0806900351dcfd263 [1,0,0,1,0,0|2,0,0]=4 8920 B11R1.241 O=C(O)CCN[C@H]1C[C@H]1CO 67d45ee9d748aa746a9e9b3a919f0177 [1,0,0,1,0,0|2,0,0]=4 8921 B11R1.241 O=C(O)CNCC1CC1CO 0294a75cdacc51bee28786e480a57820 [1,0,0,1,0,0|2,0,0]=4 8922 B11R1.241 O=CC1CC1NCCC(=O)O 64f87ed0e276ce7aeab7762351ba9d71 [1,0,0,1,0,0|2,0,0]=4 8923 B11R1.241 O=CC1CC1OCCC(=O)O 2b6cea90580134500f9740968f2be79b [1,0,0,1,0,0|2,0,0]=4 8924 B11R1.271 CCC1CCN1CCC(=O)O e84f612a7a039741c8f99fcd9bab3ae6 [1,0,0,1,0,0|1,0,1]=4 8925 B11R1.271 O=C(O)CCN1CCC1CO ea2463413f834b147c87b16e9134e348 [1,0,0,1,0,0|2,0,0]=4 8926 B11R1.271 O=C(O)CCN1CC[C@@H]1CO 5c165e96e773bde8857c5442fea80352 [1,0,0,1,0,0|2,0,0]=4 8927 B11R1.271 O=C(O)CCN1CC[C@H]1CO 708578ba803e17bd08257a6a6b3f3b69 [1,0,0,1,0,0|2,0,0]=4 8928 B11R1.742 O=C(O)CN1CCCCCC1 d9f9edaddb25360088e69733dfba1666 [1,0,0,1,0,0|1,0,1]=4 8929 B11R1.753 C=CCCN[C@@H]1C[C@@H]1C(=O)O d160567879bdb65c2938f901e5790c6e [1,0,0,1,0,0|1,0,0]=3 8930 B11R1.753 C=CCCN[C@H]1C[C@@H]1C(=O)O 6bd2f0c6e8ab983874b172535d88560e [1,0,0,1,0,0|1,0,0]=3 8931 B11R1.753 C=CCCN[C@H]1C[C@H]1C(=O)O 9b747fa44f7c51ec180166a3ba700c8d [1,0,0,1,0,0|1,0,0]=3 8932 B11R1.753 C=CCCO[C@@H]1C[C@@H]1C(=O)O 8a37be7d713a6b22a9272ace1c2d1064 [1,0,0,1,0,0|1,0,0]=3 8933 B11R1.753 C=CCCO[C@H]1C[C@@H]1C(=O)O 7431400137e95c475c5ec0a176ab5516 [1,0,0,1,0,0|1,0,0]=3 8934 B11R1.753 C=CCCO[C@H]1C[C@H]1C(=O)O f52ebc6fbc8b06c6195c0b4822f375b0 [1,0,0,1,0,0|1,0,0]=3 8935 B11R1.753 C=CCNC[C@@H]1C[C@H]1C(=O)O ee7ed553fba326c0918d4aa0d0d31968 [1,0,0,1,0,0|1,0,0]=3 8936 B11R1.753 C=CCOCC1CC1C(=O)O a86cd3991de6350ab6407520f2674b2a [1,0,0,1,0,0|1,0,0]=3 8937 B11R1.753 C=CCOC[C@@H]1C[C@H]1C(=O)O 210fccbcd2b9a92b54af183b757a9f00 [1,0,0,1,0,0|1,0,0]=3 8938 B11R1.753 C=CCOC[C@H]1C[C@@H]1C(=O)O 819349af3658b85209beb2a987606b96 [1,0,0,1,0,0|1,0,0]=3 8939 B11R1.753 C=CCOC[C@H]1C[C@H]1C(=O)O 85397cc3cb29dc2a73dd968976888551 [1,0,0,1,0,0|1,0,0]=3 8940 B11R1.753 CCCCN[C@@H]1C[C@@H]1C(=O)O db3c084c35ab74f1c14ea8442c64b333 [1,0,0,1,0,0|1,0,1]=4 8941 B11R1.753 CCCCN[C@H]1C[C@@H]1C(=O)O 229a9cd64fffff7130c10356433822e8 [1,0,0,1,0,0|1,0,1]=4 8942 B11R1.753 CCCCN[C@H]1C[C@H]1C(=O)O e24af68b59d7b0b94e24db2eac361e86 [1,0,0,1,0,0|1,0,1]=4 8943 B11R1.753 CCCCO[C@@H]1C[C@@H]1C(=O)O 662037177b8dfc58b8c695dacf12fa4f [1,0,0,1,0,0|1,0,1]=4 8944 B11R1.753 CCCCO[C@H]1C[C@@H]1C(=O)O bdee004caa1db9cfdd5e5cca38f9113c [1,0,0,1,0,0|1,0,1]=4 8945 B11R1.753 CCCCO[C@H]1C[C@H]1C(=O)O 2c0fe3d19e438fbe43fd102329f11d10 [1,0,0,1,0,0|1,0,1]=4 8946 B11R1.753 CCCNCC1CC1C(=O)O d2495a7fe19530b2321a1e958134dcbc [1,0,0,1,0,0|1,0,1]=4 8947 B11R1.753 CCCNC[C@@H]1C[C@H]1C(=O)O 8f0cc9b122b98a3c1d47d4bf21d609f6 [1,0,0,1,0,0|1,0,1]=4 8948 B11R1.753 CCCOCC1CC1C(=O)O 44bbc672bbd400411d06d5b51e247fdc [1,0,0,1,0,0|1,0,1]=4 8949 B11R1.753 CCCOC[C@@H]1C[C@H]1C(=O)O cdedbc42167dbb206eeb61876a11f8a1 [1,0,0,1,0,0|1,0,1]=4 8950 B11R1.753 CCCOC[C@H]1C[C@@H]1C(=O)O 4772a80891634c38abd65d32a4492dc1 [1,0,0,1,0,0|1,0,1]=4 8951 B11R1.753 CCCOC[C@H]1C[C@H]1C(=O)O 8514432f931e742bb262b00483aa1702 [1,0,0,1,0,0|1,0,1]=4 8952 B11R1.753 O=C(O)C1CC1CNCCBr 613c4a8584ad6bbd1e5231310444fa42 [1,0,0,1,0,0|2,0,0]=4 8953 B11R1.753 O=C(O)C1CC1CNCCF 554cd49e83439a72cd1511a1f8c2ac19 [1,0,0,1,0,0|2,0,0]=4 8954 B11R1.753 O=C(O)C1CC1CNCCI 70be7a545c447595172fbc79067560a7 [1,0,0,1,0,0|2,0,0]=4 8955 B11R1.753 O=C(O)C1CC1CNCCO 525e008d87b39ce55e0d657c7952d880 [1,0,0,1,0,0|2,0,0]=4 8956 B11R1.753 O=C(O)C1CC1CNCCS 16500a356c40049df1932af2fd4048a3 [1,0,0,1,0,0|2,0,0]=4 8957 B11R1.753 O=C(O)C1CC1COCCF d3a41741021e6893d4e0f983e696ff70 [1,0,0,1,0,0|2,0,0]=4 8958 B11R1.753 O=C(O)C1CC1COCCS 0afa142753d0ccd4544f2eb7095c21d2 [1,0,0,1,0,0|2,0,0]=4 8959 B11R1.753 O=C(O)[C@@H]1C[C@@H]1COCCF 929754616224ab97e44cf24c188fe649 [1,0,0,1,0,0|2,0,0]=4 8960 B11R1.753 O=C(O)[C@@H]1C[C@@H]1COCCS 9eb244d4fe36a32c810ad3759446ad86 [1,0,0,1,0,0|2,0,0]=4 8961 B11R1.753 O=C(O)[C@@H]1C[C@@H]1NCCCCl f190241a04090b3106533a044e998f65 [1,0,0,1,0,0|2,0,0]=4 8962 B11R1.753 O=C(O)[C@@H]1C[C@@H]1NCCCO da5afe448b2a198f041e26256e8efaa7 [1,0,0,1,0,0|2,0,0]=4 8963 B11R1.753 O=C(O)[C@@H]1C[C@@H]1OCCCF ec995c9ecef4fae4eddb328c9afb8c0f [1,0,0,1,0,0|2,0,0]=4 8964 B11R1.753 O=C(O)[C@@H]1C[C@@H]1OCCCS 5056ce99893e42628a325a6eee85129f [1,0,0,1,0,0|2,0,0]=4 8965 B11R1.753 O=C(O)[C@@H]1C[C@H]1CNCCBr c3f98165e0e8a8641f6ebe808543c258 [1,0,0,1,0,0|2,0,0]=4 8966 B11R1.753 O=C(O)[C@@H]1C[C@H]1CNCCF 649715748e2db98c4cb33905769f272b [1,0,0,1,0,0|2,0,0]=4 8967 B11R1.753 O=C(O)[C@@H]1C[C@H]1CNCCI 0ea2f810e18075672db67c7caec165fe [1,0,0,1,0,0|2,0,0]=4 8968 B11R1.753 O=C(O)[C@@H]1C[C@H]1CNCCO 70a2d1b020bb3b7602ad398b6e0d7dd2 [1,0,0,1,0,0|2,0,0]=4 8969 B11R1.753 O=C(O)[C@@H]1C[C@H]1CNCCS 493f836e7f6eff3c24ad8b102910918f [1,0,0,1,0,0|2,0,0]=4 8970 B11R1.753 O=C(O)[C@@H]1C[C@H]1COCCF 760dc26324fc0bf0799d9f3946c64472 [1,0,0,1,0,0|2,0,0]=4 8971 B11R1.753 O=C(O)[C@@H]1C[C@H]1COCCS c206dd22bb7ba70bc99445b9f543394d [1,0,0,1,0,0|2,0,0]=4 8972 B11R1.753 O=C(O)[C@H]1C[C@@H]1COCCF 4082c663467576536de83d092d98beda [1,0,0,1,0,0|2,0,0]=4 8973 B11R1.753 O=C(O)[C@H]1C[C@@H]1COCCS a9cb079712abf0e83a2ede8c9e12d83e [1,0,0,1,0,0|2,0,0]=4 8974 B11R1.753 O=C(O)[C@H]1C[C@@H]1NCCCCl a9d1173c23dc9ff3e0ec23279d398002 [1,0,0,1,0,0|2,0,0]=4 8975 B11R1.753 O=C(O)[C@H]1C[C@@H]1NCCCO 394f72307ed8fb2721529fc2a1ceb3d9 [1,0,0,1,0,0|2,0,0]=4 8976 B11R1.753 O=C(O)[C@H]1C[C@@H]1OCCCF 2c57e9e91e045042d408a014240d7edc [1,0,0,1,0,0|2,0,0]=4 8977 B11R1.753 O=C(O)[C@H]1C[C@@H]1OCCCS 3e236bd5088b4c3e09400cd43c117e3a [1,0,0,1,0,0|2,0,0]=4 8978 B11R1.753 O=C(O)[C@H]1C[C@H]1NCCCCl 44f2df3643321d007f38c53ed4b9899a [1,0,0,1,0,0|2,0,0]=4 8979 B11R1.753 O=C(O)[C@H]1C[C@H]1NCCCO 18c344d89701607359391ddf125ba880 [1,0,0,1,0,0|2,0,0]=4 8980 B11R1.753 O=C(O)[C@H]1C[C@H]1OCCCF f6e181008117a723d60ac9f6957b2670 [1,0,0,1,0,0|2,0,0]=4 8981 B11R1.753 O=C(O)[C@H]1C[C@H]1OCCCS b19b83554c58d8ba8674bb45cdfb5b95 [1,0,0,1,0,0|2,0,0]=4 8982 B11R1.753 O=CCCO[C@@H]1C[C@@H]1C(=O)O bf2e51971acdab52de07a982899a7cd8 [1,0,0,1,0,0|2,0,0]=4 8983 B11R1.753 O=CCCO[C@H]1C[C@@H]1C(=O)O 956a844f556218d05658e4e5e52712a2 [1,0,0,1,0,0|2,0,0]=4 8984 B11R1.753 O=CCCO[C@H]1C[C@H]1C(=O)O 42176a6e5af3333b07cf16b4a452dcc6 [1,0,0,1,0,0|2,0,0]=4 8985 B11R1.753 O=CCNC[C@@H]1C[C@H]1C(=O)O 4b36fe03117475d68ec2f27bedca7562 [1,0,0,1,0,0|2,0,0]=4 8986 B11R1.753 O=CCOCC1CC1C(=O)O 5ddee8d4dfeaf58b6ae62a4a3a7f7b01 [1,0,0,1,0,0|2,0,0]=4 8987 B11R1.753 O=CCOC[C@@H]1C[C@H]1C(=O)O a6c29f21c80883d282704f46f790a0d9 [1,0,0,1,0,0|2,0,0]=4 8988 B11R1.753 O=CCOC[C@H]1C[C@@H]1C(=O)O 7b4e7155aa0ffd87f6880a79dfabe992 [1,0,0,1,0,0|2,0,0]=4 8989 B11R1.753 O=CCOC[C@H]1C[C@H]1C(=O)O 3e062b43b3545592c846c4c4811d720c [1,0,0,1,0,0|2,0,0]=4 8990 B11R1.4 C=CCCCOC1C=CCC1 77088583d3e5725575785a3e71e1a11c [1,0,0,1,0,0|2,0,0]=4 8991 B11R1.4 C=CCCCOC1CCCO1 879c096c6b1241b1fbf3e1ef15e1abcb [1,0,0,1,0,0|1,0,1]=4 8992 B11R1.4 C=CCCNCC1CCCO1 d24be0ab3bfcf584f1f5f91c2ab3ae2b [1,0,0,1,0,0|1,0,1]=4 8993 B11R1.4 C=CCCNC[C@@H]1CCCO1 0e05c7ed984239890e4040e0931292e3 [1,0,0,1,0,0|1,0,1]=4 8994 B11R1.4 C=CCCNC[C@H]1CCCO1 b32631626184fd9d83fba71f3622a122 [1,0,0,1,0,0|1,0,1]=4 8995 B11R1.4 C=CCCOCC1C=CCC1 999a4712181ae429a8f6b774e4877a9a [1,0,0,1,0,0|2,0,0]=4 8996 B11R1.4 C=CCCOCC1CCCO1 e9547269df10b458973381b2a960ee1f [1,0,0,1,0,0|1,0,1]=4 8997 B11R1.4 C=CCCOC[C@@H]1CCCO1 963c8c78278b45ed30b73852e890f858 [1,0,0,1,0,0|1,0,1]=4 8998 B11R1.4 C=CCCOC[C@H]1CCCO1 41380c10708d509b282942d04d9e94cb [1,0,0,1,0,0|1,0,1]=4 8999 B11R1.4 C=CCNCCC1CCCO1 af9e8221eb00c5bc7d521f8ef9d0ee05 [1,0,0,1,0,0|1,0,1]=4 9000 B11R1.4 C=CCOCCC1CCCO1 3d462b04b7b8577d7674e56ee6092ca6 [1,0,0,1,0,0|1,0,1]=4 9001 B11R1.4 O=CCCCOC1C=CCC1 0fca911b8b20f8c4ec314973dfb87710 [1,0,0,1,0,0|1,0,0]=3 9002 B11R1.4 O=CCCOCC1C=CCC1 c14acdd5871e912dec0d9570b867b3e7 [1,0,0,1,0,0|1,0,0]=3 9003 B11R1.17 C=CCNC1CCCCC1O 207fdcaae57bb9b73b7515f183c0fb56 [1,0,0,1,0,0|1,0,1]=4 9004 B11R1.17 C=CCNC1CCCNC1=O ee2dc15b0bfac64c1c42fa53a40ee724 [1,0,0,1,0,0|2,0,0]=4 9005 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1O ee2cbd0ab8a8e1101abf442442a0b0db [1,0,0,1,0,0|1,0,1]=4 9006 B11R1.17 C=CCN[C@@H]1CCCNC1=O a553c739a6d44cec6b0b7c92cdd459e6 [1,0,0,1,0,0|2,0,0]=4 9007 B11R1.17 C=CCN[C@H]1CCCC[C@@H]1O 28a9d4b13ce4e53ed2761ad834fbcadc [1,0,0,1,0,0|1,0,1]=4 9008 B11R1.17 C=CCN[C@H]1CCCC[C@H]1O 5c55d0cef06da69dcf6b28bf1d12fabc [1,0,0,1,0,0|1,0,1]=4 9009 B11R1.17 C=CCN[C@H]1CCCNC1=O b70dee2d7a17370a95054552bc20393a [1,0,0,1,0,0|2,0,0]=4 9010 B11R1.17 C=CCOC1CCCCC1=O 7c0d6399ba4bb1218efd714532f64dc7 [1,0,0,1,0,0|1,0,0]=3 9011 B11R1.17 C=CCOC1CCCNC1=O 81e0ddb40e3d971322ca5a413d82d50f [1,0,0,1,0,0|2,0,0]=4 9012 B11R1.17 C=CCOC1CCCOC1=O 81bfa0a6ffb92c604e94fa17ffd03406 [1,0,0,1,0,0|2,0,0]=4 9013 B11R1.17 C=CCO[C@@H]1CCCNC1=O 80f175c266ac44bed635142e58f6a89e [1,0,0,1,0,0|2,0,0]=4 9014 B11R1.17 C=CCO[C@H]1CCCNC1=O d580027351ffad4742c32d056d1a2a94 [1,0,0,1,0,0|2,0,0]=4 9015 B11R1.17 O=CCOC1CCCCC1=O 6f0428b216be6f3298c638f28c946743 [1,0,0,1,0,0|2,0,0]=4 9016 B11R1.18 C=CCCN1CCCC1CO bd66d038bea2b354652e6ae5278491b1 [1,0,0,1,0,0|1,0,1]=4 9017 B11R1.18 C=CCCN1CCC[C@@H]1CO 5632e979011975477d29e9851ade8079 [1,0,0,1,0,0|1,0,1]=4 9018 B11R1.18 C=CCCN1CCC[C@H]1CO fe3215cffef1819378aa96d07404fe4f [1,0,0,1,0,0|1,0,1]=4 9019 B11R1.18 C=CCN[C@H]1CCC[C@H]1CO 3e850503bdff1645362bdc54606c3af0 [1,0,0,1,0,0|1,0,1]=4 9020 B11R1.28 C=CCCNC1C=CCCC1 f70b02d3964911a34f6357e42be429be [1,0,0,1,0,0|2,0,0]=4 9021 B11R1.28 C=CCCNC1CCCCO1 78d33ba1be1c8a230072d3bc121004d0 [1,0,0,1,0,0|1,0,1]=4 9022 B11R1.28 C=CCCOC1C=CCCC1 869ea19fb50b487574fa36f1c60365b9 [1,0,0,1,0,0|2,0,0]=4 9023 B11R1.28 C=CCCOC1CCCCO1 b2282d30cfbce080f4cacf855368db2a [1,0,0,1,0,0|1,0,1]=4 9024 B11R1.28 C=CCNCC1CCCCO1 f06d661bdf0ae369d66c85c8a7123871 [1,0,0,1,0,0|1,0,1]=4 9025 B11R1.28 C=CCOCC1CCC=CO1 295caeb535b8b8296624314f317c4698 [1,0,0,1,0,0|1,0,1]=4 9026 B11R1.28 C=CCOCC1CCCCO1 88d040fd9e66bde0050106fed5f663cf [1,0,0,1,0,0|1,0,1]=4 9027 B11R1.28 C=CCOC[C@@H]1CCCCO1 31cfe6cdcd22500441579b4c25f87a4f [1,0,0,1,0,0|1,0,1]=4 9028 B11R1.28 C=CCOC[C@H]1CCCCO1 04c85c8ac91cffa41a1d9470296e3b5a [1,0,0,1,0,0|1,0,1]=4 9029 B11R1.28 O/C=C\CNC1C=CCCC1 3f87d9f2c7145212e8e2627e786b320a [1,0,0,1,0,0|1,0,1]=4 9030 B11R1.28 O=CCCNC1C=CCCC1 8baaa4c8cec1459c7673794422817ff3 [1,0,0,1,0,0|1,0,0]=3 9031 B11R1.28 O=CCCOC1C=CCCC1 5feda64cfca88d2bdc093d74288d60c6 [1,0,0,1,0,0|1,0,0]=3 9032 B11R1.28 OCCCNC1C=CCCC1 be0f89087023378dfb97902d743834b3 [1,0,0,1,0,0|1,0,1]=4 9033 B11R1.41 C=CCN1CCCCC1C=O f438aeb7abd8edb6e192c4641f22b2b0 [1,0,0,1,0,0|1,0,0]=3 9034 B11R1.41 C=CCN1CCCCC1CO 75b70dff63641407876384c25a1f3802 [1,0,0,1,0,0|1,0,1]=4 9035 B11R1.41 C=CCN1CCCC[C@@H]1CO 320f3ab9ee6db23a737e06e00f9dc352 [1,0,0,1,0,0|1,0,1]=4 9036 B11R1.41 C=CCN1CCCC[C@H]1CO 56d5f46876d6f8bab712b20d2e22cef6 [1,0,0,1,0,0|1,0,1]=4 9037 B11R1.41 O=CCN1CCCCC1C=O d127896abc999bf0da76a8bdf35d1e61 [1,0,0,1,0,0|2,0,0]=4 9038 B11R1.47 C=CCCCNCC1CCO1 24a70881bd68346cc1b21cd8934f1de1 [1,0,0,1,0,0|1,0,1]=4 9039 B11R1.47 C=CCCCNC[C@@H]1CCO1 8616fdcd8c83b5f6d861690f6660eda4 [1,0,0,1,0,0|1,0,1]=4 9040 B11R1.47 C=CCCCNC[C@H]1CCO1 d7f30b8941cf49953bd3fefba27b8f31 [1,0,0,1,0,0|1,0,1]=4 9041 B11R1.47 C=CCCCOCC1CCO1 84946cae34308aaeb88d101eb5855252 [1,0,0,1,0,0|1,0,1]=4 9042 B11R1.47 C=CCCCOC[C@@H]1CCO1 5c04e5a0d8ef4f9d3d0e89d6a410d5ee [1,0,0,1,0,0|1,0,1]=4 9043 B11R1.47 C=CCCCOC[C@H]1CCO1 d94504f4857cf600360d1ca9aa391b21 [1,0,0,1,0,0|1,0,1]=4 9044 B11R1.47 C=CCCNCCC1CCO1 4a3539683412a6bc0892715c3525c8f2 [1,0,0,1,0,0|1,0,1]=4 9045 B11R1.47 C=CCCNCC[C@@H]1CCO1 aaa4d11f1012783d125491e35fa0a65a [1,0,0,1,0,0|1,0,1]=4 9046 B11R1.47 C=CCCOCCC1CCO1 185fcaecefa785a52a696a2c33428464 [1,0,0,1,0,0|1,0,1]=4 9047 B11R1.47 C=CCCOCC[C@@H]1CCO1 ef46d0fbffac6d0d7b3987ff46349ba3 [1,0,0,1,0,0|1,0,1]=4 9048 B11R1.47 C=CCCOCC[C@H]1CCO1 ce3a9c0b087cbe9a44a160f1e8cfdee7 [1,0,0,1,0,0|1,0,1]=4 9049 B11R1.109 C=CCN1CCCC1CCO 974e75bc7eaddf96965d9caca2543444 [1,0,0,1,0,0|1,0,1]=4 9050 B11R1.109 C=CCN1CCC[C@@H]1CCO 7ea658ba9e63d8873d6a33250f98a34d [1,0,0,1,0,0|1,0,1]=4 9051 B11R1.117 O=CNC1/C=C\CCCCC1 0a820374c9697ae84f9f2147b6caea46 [1,0,0,1,0,0|1,0,0]=3 9052 B11R1.117 OCNC1/C=C\CCCCC1 79f711495d841931a9f2a730c7693a05 [1,0,0,1,0,0|1,0,1]=4 9053 B11R1.180 C=CCCCN1CCCC1O 1a945211eef59f05636f7d40200a9a86 [1,0,0,1,0,0|1,0,1]=4 9054 B11R1.180 C=CCCNC1CCCC1=O 1941a641c74e5a01fd3fe5e34dbe8768 [1,0,0,1,0,0|1,0,0]=3 9055 B11R1.180 C=CCCNC1CCCC1O e1654c21cd15f9ce9789b4a118282e3f [1,0,0,1,0,0|1,0,1]=4 9056 B11R1.180 C=CCCNC1CCNC1=O 9e31223bf2f5acaffced9c9e15b42fb7 [1,0,0,1,0,0|2,0,0]=4 9057 B11R1.180 C=CCCNC1CCOC1=O dd4d795afbfb8a467324d909408cc580 [1,0,0,1,0,0|2,0,0]=4 9058 B11R1.180 C=CCCNC1CCSC1=O 1b294cd5b6645a25f7df72438eb18da4 [1,0,0,1,0,0|2,0,0]=4 9059 B11R1.180 C=CCCN[C@@H]1CCC[C@@H]1O a6db4a7e4731aba5ec0d73b648d82cc1 [1,0,0,1,0,0|1,0,1]=4 9060 B11R1.180 C=CCCN[C@@H]1CCC[C@H]1O ab6d8fd8f9d154b30fe48d6e13f6ba4c [1,0,0,1,0,0|1,0,1]=4 9061 B11R1.180 C=CCCN[C@@H]1CCNC1=O 8ae5ca7ba489c11109a55c68ebba87d9 [1,0,0,1,0,0|2,0,0]=4 9062 B11R1.180 C=CCCN[C@@H]1CCOC1=O 791b04e451ca825001ebef3d34983217 [1,0,0,1,0,0|2,0,0]=4 9063 B11R1.180 C=CCCN[C@H]1CCC[C@@H]1O 2827784fd402ae955cc75bca33301164 [1,0,0,1,0,0|1,0,1]=4 9064 B11R1.180 C=CCCN[C@H]1CCC[C@H]1O 55a0fac43c3149650447894a32e9bbf3 [1,0,0,1,0,0|1,0,1]=4 9065 B11R1.180 C=CCCN[C@H]1CCNC1=O 31c87472c1e4a319e5769073c50cd311 [1,0,0,1,0,0|2,0,0]=4 9066 B11R1.180 C=CCCN[C@H]1CCOC1=O ef5da38b7baf887a8ad06c1af25267f2 [1,0,0,1,0,0|2,0,0]=4 9067 B11R1.180 C=CCCOC1CCCC1=O 6fc2173a6fdaa1212365b5b3a6c9319e [1,0,0,1,0,0|1,0,0]=3 9068 B11R1.180 C=CCCOC1CCNC1=O 1bd75cd28aa71d8196fc616e28d2102f [1,0,0,1,0,0|2,0,0]=4 9069 B11R1.180 C=CCCOC1CCOC1=O d0337c7bc21083a6b1782e3e07f02eba [1,0,0,1,0,0|2,0,0]=4 9070 B11R1.180 C=CCCO[C@@H]1CCNC1=O ef34a772c2f32dcfed91fd15958bf176 [1,0,0,1,0,0|2,0,0]=4 9071 B11R1.180 C=CCCO[C@@H]1CCOC1=O 01e68763371303449319afe13d4e09ab [1,0,0,1,0,0|2,0,0]=4 9072 B11R1.180 C=CCCO[C@H]1CCNC1=O 6756a95c636208e8ad95427ce2419a53 [1,0,0,1,0,0|2,0,0]=4 9073 B11R1.180 C=CCCO[C@H]1CCOC1=O 982a49e0a8e9e516a8a541bf4f564059 [1,0,0,1,0,0|2,0,0]=4 9074 B11R1.180 C=CCNCC1CCCC1O c51593c6605b8a886854cd4de43aa53e [1,0,0,1,0,0|1,0,1]=4 9075 B11R1.180 C=CCNCC1CCNC1=O e76f78485496ef5295a54564ec8907a1 [1,0,0,1,0,0|2,0,0]=4 9076 B11R1.180 C=CCOCC1CCCC1=O e39836eaadf0bbbab059db83af3ffbbc [1,0,0,1,0,0|1,0,0]=3 9077 B11R1.180 C=CCOCC1CCNC1=O 4c07fe9d2d44fc81ef302cf86ffc7564 [1,0,0,1,0,0|2,0,0]=4 9078 B11R1.180 C=CCOCN1CCCC1=O 559d03eb9b9236107114ccf04112d57d [1,0,0,1,0,0|2,0,0]=4 9079 B11R1.180 O=CCCOC1CCCC1=O d05eaf1ff263e50b5f3643f5c404cca5 [1,0,0,1,0,0|2,0,0]=4 9080 B11R1.180 O=CCOCC1CCCC1=O c94134b18a5365cd43e6d1ecb76a89e5 [1,0,0,1,0,0|2,0,0]=4 9081 B11R1.181 C=CCCCN1CCC1CO 29330233f75d3d5a1bcfdc41ceaae88e [1,0,0,1,0,0|1,0,1]=4 9082 B11R1.181 C=CCCCN1CC[C@@H]1CO 9633a70d2274b9ae15c37d71dd6978e0 [1,0,0,1,0,0|1,0,1]=4 9083 B11R1.181 C=CCCCN1CC[C@H]1CO 2edd900dfe9c868456f003c1d4373116 [1,0,0,1,0,0|1,0,1]=4 9084 B11R1.190 C=CCCCNC1CCC1=O 751899e0715e5afb90975fe8d07ffdfb [1,0,0,1,0,0|1,0,0]=3 9085 B11R1.190 C=CCCCNC1CCC1O 579b513854d24367b5beee48ae90d411 [1,0,0,1,0,0|1,0,1]=4 9086 B11R1.190 C=CCCCN[C@@H]1CC[C@@H]1O 6dca4985c34459c500e2dc20e52f74fd [1,0,0,1,0,0|1,0,1]=4 9087 B11R1.190 C=CCCCN[C@@H]1CC[C@H]1O ed3eada78bce50445d22fc882ba535b0 [1,0,0,1,0,0|1,0,1]=4 9088 B11R1.190 C=CCCCN[C@H]1CC[C@@H]1O 015105eae9d0c90b3713a306f495f116 [1,0,0,1,0,0|1,0,1]=4 9089 B11R1.190 C=CCCCN[C@H]1CC[C@H]1O ee162df0aaf137407f3197dd8fffadf9 [1,0,0,1,0,0|1,0,1]=4 9090 B11R1.190 C=CCCCN[C@H]1CNC1=O afa750c90fe8fdf497258e1799e3e1b7 [1,0,0,1,0,0|2,0,0]=4 9091 B11R1.190 C=CCCCOC1CCC1=O d430f9a804da3f207e06e8453c4a3f0d [1,0,0,1,0,0|1,0,0]=3 9092 B11R1.190 C=CCCNCC1COC1=O 574da008957820b929b32f8fbf038a80 [1,0,0,1,0,0|2,0,0]=4 9093 B11R1.190 C=CCCOCC1CCC1=O 7b1214d558b7318fbd86ac012df762a0 [1,0,0,1,0,0|1,0,0]=3 9094 B11R1.190 C=CCCOCC1COC1=O c4260ff6bd4aa91a0803d42d87a56250 [1,0,0,1,0,0|2,0,0]=4 9095 B11R1.190 C=CCOCCC1CCC1=O 0984fdea5830ddaad4f36e0b47b52977 [1,0,0,1,0,0|1,0,0]=3 9096 B11R1.190 C=COCCNC1CCC1=O c6d36bfe2b8123cdb771d2e09f933a95 [1,0,0,1,0,0|2,0,0]=4 9097 B11R1.190 C=COCCOC1CCC1=O 03a35643fbb2939648f6f8e744659930 [1,0,0,1,0,0|2,0,0]=4 9098 B11R1.190 O=CCCCOC1CCC1=O 0b40820af86db5ff34e04956d35b5311 [1,0,0,1,0,0|2,0,0]=4 9099 B11R1.190 O=CCCOCC1CCC1=O 9fa4bd57c74f9e75611230284d206f74 [1,0,0,1,0,0|2,0,0]=4 9100 B11R1.190 O=CCOCCC1CCC1=O ac4576289826d11f6ca48fe240eaa7fa [1,0,0,1,0,0|2,0,0]=4 9101 B11R1.229 C=CCCCNC1CC1C=O 59b53bfc7aa6f11184d51a07bf69e6ed [1,0,0,1,0,0|1,0,0]=3 9102 B11R1.229 C=CCCCN[C@@H]1C[C@H]1CO d434a3a086c7cd86f0db7052ead86b9e [1,0,0,1,0,0|1,0,1]=4 9103 B11R1.229 C=CCCCN[C@H]1C[C@@H]1CO f46277932fed77f11451c9da24724c15 [1,0,0,1,0,0|1,0,1]=4 9104 B11R1.229 C=CCCCN[C@H]1C[C@H]1CO 1d2d6efeb8c02162b2dd8be000db52a1 [1,0,0,1,0,0|1,0,1]=4 9105 B11R1.229 C=CCCCOC1CC1C=O d6c9c809bed16f22c0288d6fcc034838 [1,0,0,1,0,0|1,0,0]=3 9106 B11R1.229 C=CCCNCC1CC1CO dd7520f8feda7160261af83e45d4a094 [1,0,0,1,0,0|1,0,1]=4 9107 B11R1.229 C=COCCNC1CC1C=O 66fbb3ebef1d6524ef6643275bbaa6ae [1,0,0,1,0,0|2,0,0]=4 9108 B11R1.229 C=COCCOC1CC1C=O 7fe5b962c08c8ba6f7fa938c5bba9aec [1,0,0,1,0,0|2,0,0]=4 9109 B11R1.229 O=CCCCOC1CC1C=O a460b18dd8f6461dadf28db18f2bfbef [1,0,0,1,0,0|2,0,0]=4 9110 B11R1.232 C=CCCN1CCC1CCO 4ca5bfa16210f6eec3c33d83f2ea85ba [1,0,0,1,0,0|1,0,1]=4 9111 B13R1.27 C#CCCCNCC1CCC(=O)O1 17c1c4d3130d0d4b7bc77a6e9d36257b [0,1,0,1,0,0|0,0,2]=4 9112 B13R1.27 C#CCCCOCC1CCC(=O)O1 1efd9ef18e47f730ac6860b1e3800bc7 [0,1,0,1,0,0|0,0,2]=4 9113 B13R1.27 C#CCCCOC[C@@H]1CCC(=O)O1 8c45c7e793a20af1072c7aebe9f4e7fe [0,1,0,1,0,0|0,0,2]=4 9114 B13R1.27 C#CCCCOC[C@H]1CCC(=O)O1 d657282345d1867c32bc5741eed10851 [0,1,0,1,0,0|0,0,2]=4 9115 B13R1.27 C/C=C/CCOCC1CCC(=O)N1 196c00dd6f8491af5825b5677e302720 [0,1,0,1,0,0|2,0,0]=4 9116 B13R1.27 C/C=C/CCOCC1CCC(=O)O1 0713d7f56e55c6792f1bb4507347e532 [0,1,0,1,0,0|1,0,0]=3 9117 B13R1.27 C/C=C/CCOC[C@@H]1CCC(=O)N1 7525f7de5d8c3807587ca3456525c51b [0,1,0,1,0,0|2,0,0]=4 9118 B13R1.27 C/C=C/CCOC[C@H]1CCC(=O)N1 5cef5e277e094181850e33982a4071f7 [0,1,0,1,0,0|2,0,0]=4 9119 B13R1.27 C/C=C/COCC[C@@H]1CCC(=O)N1 b67e4ccead6c6e89bae453f8ab0cbee4 [0,1,0,1,0,0|2,0,0]=4 9120 B13R1.27 C/C=C\CCCOC1CCC(=O)C1 efc6fb85f00b074e5649a92b771abd2f [0,1,0,1,0,0|2,0,0]=4 9121 B13R1.27 C/C=C\COCC[C@@H]1CCC(=O)N1 19eda8ebdaa35f37bc7c433cf3cc0b3b [0,1,0,1,0,0|2,0,0]=4 9122 B13R1.27 C=C=CCCOCC1CCC(=O)N1 ebcb561dec00c3d4b2d014085c1cbc42 [0,1,0,1,0,0|2,0,0]=4 9123 B13R1.27 C=C=CCCOCC1CCC(=O)O1 a7dc99c37f62a958df7eb9bbd40928ee [0,1,0,1,0,0|1,0,0]=3 9124 B13R1.27 C=C=CCCOC[C@@H]1CCC(=O)N1 fd896c129b1f5fd4ecef27ef742dea02 [0,1,0,1,0,0|2,0,0]=4 9125 B13R1.27 C=C=CCCOC[C@H]1CCC(=O)N1 a381f164e99468bf141e041aaa721cce [0,1,0,1,0,0|2,0,0]=4 9126 B13R1.27 C=CCCCCCN1CCC(C1)O fb548003e4b30b464ca1a2bca9fd04cd [0,1,0,1,0,0|1,0,1]=4 9127 B13R1.27 C=CCCCCCN1CC[C@@H](C1)O d7a0744b4047b578de7b7472d77de97b [0,1,0,1,0,0|1,0,1]=4 9128 B13R1.27 C=CCCCCCN1CC[C@H](C1)O 2ba073d18a474518a1ba81e5769ff843 [0,1,0,1,0,0|1,0,1]=4 9129 B13R1.27 C=CCCCCCN1CNC(=O)C1 c177915bc033a12b2278ccbad03018a6 [0,1,0,1,0,0|2,0,0]=4 9130 B13R1.27 C=CCCCCNC1CCC(C1)O f9aa317497419a9d3143ee0a340cd92d [0,1,0,1,0,0|1,0,1]=4 9131 B13R1.27 C=CCCCCNC1CNC(=O)C1 b4b8f5611394b5461daa35287037b3a0 [0,1,0,1,0,0|2,0,0]=4 9132 B13R1.27 C=CCCCCN[C@@H]1CC[C@@H](C1)O 3d4c5bcb8691210ac845ba212e1357be [0,1,0,1,0,0|1,0,1]=4 9133 B13R1.27 C=CCCCCN[C@@H]1CC[C@H](C1)O 71d50b1cd46e4a235ed2e8f2764489a5 [0,1,0,1,0,0|1,0,1]=4 9134 B13R1.27 C=CCCCCN[C@@H]1CNC(=O)C1 f721b75518afbf2b1f9e5b6ac5df478e [0,1,0,1,0,0|2,0,0]=4 9135 B13R1.27 C=CCCCCN[C@H]1CC[C@@H](C1)O 1db777169ac9002e21d7231b50c28e6a [0,1,0,1,0,0|1,0,1]=4 9136 B13R1.27 C=CCCCCN[C@H]1CC[C@H](C1)O c1c9dca8f3da166bccd4e2322d398321 [0,1,0,1,0,0|1,0,1]=4 9137 B13R1.27 C=CCCCCN[C@H]1CNC(=O)C1 263e8b45c60349c805ed621e4cd7e90b [0,1,0,1,0,0|2,0,0]=4 9138 B13R1.27 C=CCCCCOC1=CC(=O)CC1 82e8b230eabb3c5ecbb5eee83f1fb927 [0,1,0,1,0,0|1,0,1]=4 9139 B13R1.27 C=CCCCCOC1=COC(=O)C1 b32217447712bfd7f6153666f1455919 [0,1,0,1,0,0|1,0,1]=4 9140 B13R1.27 C=CCCCCOC1C=CC(=O)C1 0503c6faa370387e30db57b37fccf2d7 [0,1,0,1,0,0|2,0,0]=4 9141 B13R1.27 C=CCCCCOC1C=CC(=O)O1 ce6fd63cdd980d99a8e111905b72b7a8 [0,1,0,1,0,0|0,0,2]=4 9142 B13R1.27 C=CCCCCOC1CCC(=O)C1 2b9edcc60f2e752049533d4d23674190 [0,1,0,1,0,0|1,0,0]=3 9143 B13R1.27 C=CCCCCOC1CNC(=O)C1 2df4da7fbe27aa57fd9d5d7725da1835 [0,1,0,1,0,0|2,0,0]=4 9144 B13R1.27 C=CCCCCOC1COC(=O)C1 91e7e5cca2373bc8883e59d8fe1d45f9 [0,1,0,1,0,0|1,0,0]=3 9145 B13R1.27 C=CCCCCO[C@@H]1CNC(=O)C1 10f3d4e13c991157c72e83f63c03f6f2 [0,1,0,1,0,0|2,0,0]=4 9146 B13R1.27 C=CCCCCO[C@@H]1COC(=O)C1 dccee53c4b5d110fd8b9943eb441b65f [0,1,0,1,0,0|1,0,0]=3 9147 B13R1.27 C=CCCCCO[C@H]1C=CC(=O)C1 8c9a1e0e6fd12425009dc795913918b7 [0,1,0,1,0,0|2,0,0]=4 9148 B13R1.27 C=CCCCCO[C@H]1CNC(=O)C1 2839f6e1f19f87241b24178c187d186a [0,1,0,1,0,0|2,0,0]=4 9149 B13R1.27 C=CCCCCO[C@H]1COC(=O)C1 c13a34ed57f9c615869b987cf0bbfdf9 [0,1,0,1,0,0|1,0,0]=3 9150 B13R1.27 C=CCCCNCC1CCC(=O)N1 9bd6b566260993d4e0caf0b42fe01f23 [0,1,0,1,0,0|1,0,0]=3 9151 B13R1.27 C=CCCCNCC1CCC(=O)O1 57cfbcc4979fa1f6f684d2c6ef2835bd [0,1,0,1,0,0|0,0,0]=2 9152 B13R1.27 C=CCCCNCC1CCC(C1)O 6005fd553c8877712e90545bb5a7d1b0 [0,1,0,1,0,0|1,0,1]=4 9153 B13R1.27 C=CCCCNCC1CNC(=O)C1 276320f9fa5c15a89a5cfc4a69b41b0c [0,1,0,1,0,0|2,0,0]=4 9154 B13R1.27 C=CCCCNC[C@@H]1CCC(=O)N1 0a563060b2fe2960eb32e3e84b65ce61 [0,1,0,1,0,0|1,0,0]=3 9155 B13R1.27 C=CCCCNC[C@@H]1CNC(=O)C1 58e2c30f6b0f1305c261fdb354bfd39d [0,1,0,1,0,0|2,0,0]=4 9156 B13R1.27 C=CCCCNC[C@H]1CCC(=O)N1 f1a84abbb81055047206dd1d9a8e3857 [0,1,0,1,0,0|1,0,0]=3 9157 B13R1.27 C=CCCCOCC1C=CC(=O)O1 1dd25d430ecd8782cca4c6cd47fe0e92 [0,1,0,1,0,0|0,0,2]=4 9158 B13R1.27 C=CCCCOCC1CCC(=O)C1 1779fb861b5726ccbbd7d67295f37d17 [0,1,0,1,0,0|1,0,0]=3 9159 B13R1.27 C=CCCCOCC1CCC(=O)N1 8bfda0916f9555c738413a17af54cc35 [0,1,0,1,0,0|1,0,0]=3 9160 B13R1.27 C=CCCCOCC1CCC(=O)O1 15cc3854d0f71778ce2597f349aafa06 [0,1,0,1,0,0|0,0,0]=2 9161 B13R1.27 C=CCCCOCC1CCC(O1)C 9be0d18322b6d2519531ba2b930643b5 [0,1,0,1,0,0|1,0,1]=4 9162 B13R1.27 C=CCCCOCC1CNC(=O)C1 f0e6bca16ae3bdf1c72e156314268965 [0,1,0,1,0,0|2,0,0]=4 9163 B13R1.27 C=CCCCOCC1CNC(=O)N1 8edc8c5a112b217c4b84ea7aa0bf9a3d [0,1,0,1,0,0|2,0,0]=4 9164 B13R1.27 C=CCCCOCC1COC(=O)C1 e90f36df933d3c7e2fb8f3d79c48b18a [0,1,0,1,0,0|1,0,0]=3 9165 B13R1.27 C=CCCCOC[C@@H]1C=CC(=O)O1 6a0e7bd2bd2c81d589536decd7950dfa [0,1,0,1,0,0|0,0,2]=4 9166 B13R1.27 C=CCCCOC[C@@H]1CCC(=O)C1 f3b8121c5ef722adbeb71e1365426ee3 [0,1,0,1,0,0|1,0,0]=3 9167 B13R1.27 C=CCCCOC[C@@H]1CCC(=O)N1 5404c34c9b04ddfcae6bb08f48a18455 [0,1,0,1,0,0|1,0,0]=3 9168 B13R1.27 C=CCCCOC[C@@H]1CCC(=O)O1 642ddae08f39d3b56c4547e5b2bbcfcb [0,1,0,1,0,0|0,0,0]=2 9169 B13R1.27 C=CCCCOC[C@@H]1CC[C@@H](O1)C 3752053927c09d6af86a2acfe1e6936c [0,1,0,1,0,0|1,0,1]=4 9170 B13R1.27 C=CCCCOC[C@@H]1CNC(=O)C1 7eff663a3af7c2071b4429eab1b0e7fa [0,1,0,1,0,0|2,0,0]=4 9171 B13R1.27 C=CCCCOC[C@H]1CCC(=O)N1 583a59c0961f7f644d6f9be0a90e36b1 [0,1,0,1,0,0|1,0,0]=3 9172 B13R1.27 C=CCCCOC[C@H]1CCC(=O)O1 6536fe94a0ac6a9bcd80ccb6aa888e82 [0,1,0,1,0,0|0,0,0]=2 9173 B13R1.27 C=CCCCOC[C@H]1CNC(=O)C1 7ce5e30c903007bcdc733632fc54d332 [0,1,0,1,0,0|2,0,0]=4 9174 B13R1.27 C=CCCNCCC1COS(=O)O1 30e5f332702893100205f5fa6036d794 [0,1,0,1,0,0|2,0,0]=4 9175 B13R1.27 C=CCCOCCC1COS(=O)O1 2c00401ad6c615aa139c040b55f96dcf [0,1,0,1,0,0|2,0,0]=4 9176 B13R1.27 C=CCCOCC[C@@H]1CCC(=O)N1 f255407cbd065159c75f450d8350a2c0 [0,1,0,1,0,0|1,0,0]=3 9177 B13R1.27 C=CCOCCOC1CCC(=O)C1 dbcce3f79093cff4e5bb7dea56140368 [0,1,0,1,0,0|2,0,0]=4 9178 B13R1.27 C=CCOCCOC1COC(=O)C1 2721c8fc5da48aedd61d0ea11239f96a [0,1,0,1,0,0|2,0,0]=4 9179 B13R1.27 C=CCOCCO[C@@H]1COC(=O)C1 2ceec618535d4991581394ee3760e2bf [0,1,0,1,0,0|2,0,0]=4 9180 B13R1.27 C=CCOCCO[C@H]1COC(=O)C1 e6fb6f336d9a8a777a3e7af0d98d68c5 [0,1,0,1,0,0|2,0,0]=4 9181 B13R1.27 C=COCCNCC1CCC(=O)N1 ea0bdd2fd5e03da58ebce173328fc15d [0,1,0,1,0,0|2,0,0]=4 9182 B13R1.27 C=COCCNCC1CCC(=O)O1 31d62ce08a58da1e554462f3ee6227e3 [0,1,0,1,0,0|1,0,0]=3 9183 B13R1.27 C=COCCNC[C@@H]1CCC(=O)N1 a13768e77dd07bf43eb1023ba0ac4502 [0,1,0,1,0,0|2,0,0]=4 9184 B13R1.27 C=COCCNC[C@H]1CCC(=O)N1 ba25ac935360131ef1725ca94ab4383f [0,1,0,1,0,0|2,0,0]=4 9185 B13R1.27 C=COCCOCC1CCC(=O)N1 4de9c96ab92ac1822227d3dc9b31e397 [0,1,0,1,0,0|2,0,0]=4 9186 B13R1.27 C=COCCOCC1CCC(=O)O1 1d4764509187e7a756c9a5a4a667f6a6 [0,1,0,1,0,0|1,0,0]=3 9187 B13R1.27 C=COCCOC[C@@H]1CCC(=O)N1 4459bd7c472412d55d7b04a45818b07d [0,1,0,1,0,0|2,0,0]=4 9188 B13R1.27 C=COCCOC[C@H]1CCC(=O)N1 86b2f4aa62f767328a127664b9bf6a6a [0,1,0,1,0,0|2,0,0]=4 9189 B13R1.27 CCCCCNCC1CCC(=O)O1 1bd93f68b1f9743b2bf4002027fa6a5a [0,1,0,1,0,0|0,0,2]=4 9190 B13R1.27 CCCCCOCC1CCC(=O)O1 0b603596968b44265afd9159ebdba1d2 [0,1,0,1,0,0|0,0,2]=4 9191 B13R1.27 CCCCCOC[C@@H]1CCC(=O)O1 05884102ded19f27327e7933b0d928a4 [0,1,0,1,0,0|0,0,2]=4 9192 B13R1.27 CCCCCOC[C@H]1CCC(=O)O1 965c62a7dad55bd34d69655b2db58a96 [0,1,0,1,0,0|0,0,2]=4 9193 B13R1.27 COCCCNCC1CCC(=O)O1 9eb883604ac505bf81fa54d34e757aeb [0,1,0,1,0,0|1,0,1]=4 9194 B13R1.27 COCCCOCC1CCC(=O)O1 e852871a05ac485a2e64abda267b9d94 [0,1,0,1,0,0|1,0,1]=4 9195 B13R1.27 COCCCOC[C@@H]1CCC(=O)O1 4390b07188c35aa03a69809ca984ae52 [0,1,0,1,0,0|1,0,1]=4 9196 B13R1.27 COCCCOC[C@H]1CCC(=O)O1 ac2a029b53cd7abf953d11f362e4ba86 [0,1,0,1,0,0|1,0,1]=4 9197 B13R1.27 CSCCCNCC1CCC(=O)O1 485cc94ddd68b5f61caba3670ca14673 [0,1,0,1,0,0|1,0,1]=4 9198 B13R1.27 CSCCCOCC1CCC(=O)O1 02df84ab8bf574d164015befd13bef58 [0,1,0,1,0,0|1,0,1]=4 9199 B13R1.27 CSCCCOC[C@@H]1CCC(=O)O1 3d8d6f173eb8e04674cceaf3392a3ee3 [0,1,0,1,0,0|1,0,1]=4 9200 B13R1.27 CSCCCOC[C@H]1CCC(=O)O1 86168bd5ee2f18f994c10ef5d1e9314b [0,1,0,1,0,0|1,0,1]=4 9201 B13R1.27 N#CCCCNCC1CCC(=O)O1 4fd9df75978a3598f67d124fcb888c3d [0,1,0,1,0,0|1,0,1]=4 9202 B13R1.27 N#CCCCOCC1CCC(=O)O1 3b8c428ce44fe8fe822bd39400b9bb13 [0,1,0,1,0,0|1,0,1]=4 9203 B13R1.27 N#CCCCOC[C@@H]1CCC(=O)O1 971476d45350b8e5bb70a69dac087877 [0,1,0,1,0,0|1,0,1]=4 9204 B13R1.27 N#CCCCOC[C@H]1CCC(=O)O1 06ec6a664feb1c6cea59b3fee8073f9d [0,1,0,1,0,0|1,0,1]=4 9205 B13R1.27 O=C/C=C/COCC1CCC(=O)O1 e6f6f6b8d10afe14772ac4e8dccdfdd2 [0,1,0,1,0,0|1,0,1]=4 9206 B13R1.27 O=C1CCC(O1)CNCCCCCl 2f0b33795de474a2621c95637eabdfa8 [0,1,0,1,0,0|1,0,1]=4 9207 B13R1.27 O=C1CCC(O1)CNCCCCO 2f1bc6d4a95696617fb6f8dbc44a2725 [0,1,0,1,0,0|1,0,1]=4 9208 B13R1.27 O=C1CCC(O1)CNCCCCS 035dc448020aec6bd2c566a412d5b613 [0,1,0,1,0,0|1,0,1]=4 9209 B13R1.27 O=C1CCC(O1)COCCCCF 81bbb71def31d44adf44778c903e6b94 [0,1,0,1,0,0|1,0,1]=4 9210 B13R1.27 O=C1CCC(O1)COCCCCS 71bcde828fea17b971e16d50cd6fbedb [0,1,0,1,0,0|1,0,1]=4 9211 B13R1.27 O=C1CC[C@@H](O1)COCCCCF 909fc61b7b7df3a5d5afd269206cfb60 [0,1,0,1,0,0|1,0,1]=4 9212 B13R1.27 O=C1CC[C@H](N1)CCOC/C=C/Cl fad4ef04e3b195a90902ee1fd396e7ea [0,1,0,1,0,0|2,0,0]=4 9213 B13R1.27 O=C1CC[C@H](N1)CCOC/C=C\Cl c2134d0212d06ec63a9d234f51351f80 [0,1,0,1,0,0|2,0,0]=4 9214 B13R1.27 O=C1CC[C@H](O1)COCCCCF 9854ae4c011d20409049d803bf89fe8c [0,1,0,1,0,0|1,0,1]=4 9215 B13R1.27 O=CCCCCOC1CCC(=O)C1 3756778ef753021b06b0306967f12fc5 [0,1,0,1,0,0|2,0,0]=4 9216 B13R1.27 O=CCCCCOC1COC(=O)C1 69eece8ecee289232807ac56c896e7f1 [0,1,0,1,0,0|2,0,0]=4 9217 B13R1.27 O=CCCCCO[C@@H]1COC(=O)C1 11f65f39b10f99352b2403282d410c38 [0,1,0,1,0,0|2,0,0]=4 9218 B13R1.27 O=CCCCCO[C@H]1COC(=O)C1 a613cacb966c40eb9df03f989e9a825e [0,1,0,1,0,0|2,0,0]=4 9219 B13R1.27 O=CCCCNCC1CCC(=O)N1 ed15d25612e1eb23b78cb285856e6397 [0,1,0,1,0,0|2,0,0]=4 9220 B13R1.27 O=CCCCNC[C@@H]1CCC(=O)N1 8da7c696dff0474bc430713eb52ebc7c [0,1,0,1,0,0|2,0,0]=4 9221 B13R1.27 O=CCCCNC[C@H]1CCC(=O)N1 5ea254df1fcecccbf773252202652f3f [0,1,0,1,0,0|2,0,0]=4 9222 B13R1.27 O=CCCCOCC1CCC(=O)C1 e4fa1f1ce3870c6717346672d1315b04 [0,1,0,1,0,0|2,0,0]=4 9223 B13R1.27 O=CCCCOCC1CCC(=O)N1 364cdd8e17fe0a7f97b8f4fb5d1bcbf8 [0,1,0,1,0,0|2,0,0]=4 9224 B13R1.27 O=CCCCOCC1CCC(=O)O1 101afbb114447c1ca08b40473a83ed94 [0,1,0,1,0,0|1,0,0]=3 9225 B13R1.27 O=CCCCOCC1COC(=O)C1 32d504a20fc51d2648abd784f77e8550 [0,1,0,1,0,0|2,0,0]=4 9226 B13R1.27 O=CCCCOC[C@@H]1CCC(=O)C1 591edd30e182a86f7dfb1332f7db4ff3 [0,1,0,1,0,0|2,0,0]=4 9227 B13R1.27 O=CCCCOC[C@@H]1CCC(=O)N1 850a54f8ce98041708936cc6b3ecd1f5 [0,1,0,1,0,0|2,0,0]=4 9228 B13R1.27 O=CCCCOC[C@@H]1CCC(=O)O1 edfb80ac3751d0f2ba817b598e8db833 [0,1,0,1,0,0|1,0,0]=3 9229 B13R1.27 O=CCCCOC[C@H]1CCC(=O)N1 ac94a477dce2e6e158fc6f3aefa89271 [0,1,0,1,0,0|2,0,0]=4 9230 B13R1.27 O=CCCCOC[C@H]1CCC(=O)O1 56b09b6e14f4d8b8cdf84a36d88d7df2 [0,1,0,1,0,0|1,0,0]=3 9231 B13R1.27 O=CCCOCC[C@@H]1CCC(=O)N1 4130f18e47ac0d79d14c5360b5057048 [0,1,0,1,0,0|2,0,0]=4 9232 B13R1.27 O=CNCCOCC1CCC(=O)O1 dafb369793d595d16645411d45bc723c [0,1,0,1,0,0|2,0,0]=4 9233 B13R1.27 O=COCCOCC1CCC(=O)O1 68ea652d3d82a3d8acdcfb9b3f2e44b4 [0,1,0,1,0,0|2,0,0]=4 9234 B13R1.190 C=CCCCOC1OC(=O)CC1C db69acb502cb2d2dccf1b2481ee6ecad [0,1,0,1,0,0|1,0,0]=3 9235 B13R1.190 CC1CC(=O)OC1OCCCC=O 4cf7c44085dcbfc16561d77730157e62 [0,1,0,1,0,0|2,0,0]=4 9236 B13R1.296 CC(CC(=O)O)OCC1CCC1=O 5dc9f49f8c634845884c073328b92c0c [0,1,0,1,0,0|2,0,0]=4 9237 B13R1.296 CN(CCC1CCC1=O)CC(=O)O 0a2a76bd2a3f3ce2475890429087c0b2 [0,1,0,1,0,0|2,0,0]=4 9238 B13R1.348 CC(CC(=O)N)OC1C=CCCC1 d95a6de7d02ba1bb7ebaba9dd5acc828 [0,1,0,1,0,0|2,0,0]=4 9239 B13R1.348 CC(CC(=O)O)NC1C=CCCC1 37f3668557fb5ebaae3fc81bf01533f2 [0,1,0,1,0,0|1,0,0]=3 9240 B13R1.348 CC(CC(=O)O)OC1C=CCCC1 f5173d50549a6ddc92eefd43aecccda1 [0,1,0,1,0,0|1,0,0]=3 9241 B13R1.348 C[C@@H](CC(=O)O)NC1C=CCCC1 30cb06fa7569564842e6ea53f8e0c812 [0,1,0,1,0,0|1,0,0]=3 9242 B13R1.348 C[C@@H](CC(=O)O)OC1C=CCCC1 86df0e71e4f20e2b3a150a598e28831a [0,1,0,1,0,0|1,0,0]=3 9243 B13R1.348 C[C@H](CC(=O)O)NC1C=CCCC1 f7418e02e4ffa1ddb0ee623204409acf [0,1,0,1,0,0|1,0,0]=3 9244 B13R1.348 C[C@H](CC(=O)O)OC1C=CCCC1 af73b68edc04c5236d0e0cd3f7122f71 [0,1,0,1,0,0|1,0,0]=3 9245 B13R1.373 C=CCC1CCCN(C1)CC(=O)N 33f693288806c1e733210488772bdc4b [0,1,0,1,0,0|2,0,0]=4 9246 B13R1.373 C=CCC1CCCN(C1)CC(=O)O d8922ab868c46dbe1034b0b8732f3f78 [0,1,0,1,0,0|1,0,0]=3 9247 B13R1.373 C=CCN1CCCC(C1)CC(=O)O 8fe6b6abb42a0aafd66d925d0f6b8439 [0,1,0,1,0,0|1,0,0]=3 9248 B13R1.373 C=CCN1CCOC(C1)CC(=O)O f08653f1faa11b054a797c05d6f3d24a [0,1,0,1,0,0|2,0,0]=4 9249 B13R1.373 C=CCN1CCO[C@@H](C1)CC(=O)O 0b3d3f053bfdea39c278203037399e1c [0,1,0,1,0,0|2,0,0]=4 9250 B13R1.373 O=CCN1CCCC(C1)CC(=O)O 11d3a4e81087b8c70e6c5d513912d41d [0,1,0,1,0,0|2,0,0]=4 9251 B13R1.497 C=CCCN1CCC(C1C(=O)O)O 53602f385d3e72bcf70d8449fff00991 [0,1,0,1,0,0|1,0,0]=3 9252 B13R1.497 C=CCCN1CC[C@@H]([C@@H]1C(=O)O)F fe99faf04a2269a504865095c16e7dc5 [0,1,0,1,0,0|1,0,0]=3 9253 B13R1.497 C=CCCN1CC[C@@H]([C@@H]1C(=O)O)O e4c6f8a0833c16d419ec1b13245ea240 [0,1,0,1,0,0|1,0,0]=3 9254 B13R1.497 C=CCCN1CC[C@@H]([C@H]1C(=O)N)O 8b94912c70035e93078ea6597d3d3c70 [0,1,0,1,0,0|2,0,0]=4 9255 B13R1.497 C=CCCN1CC[C@@H]([C@H]1C(=O)O)C 0008017ff7660de75026a619fe8f3859 [0,1,0,1,0,0|1,0,0]=3 9256 B13R1.497 C=CCCN1CC[C@@H]([C@H]1C(=O)O)O 2382aa503768f19d3699e516594b71eb [0,1,0,1,0,0|1,0,0]=3 9257 B13R1.497 C=CCCN1CC[C@H]([C@@H]1C(=O)O)O 504224051090e215ef1607e6383081e5 [0,1,0,1,0,0|1,0,0]=3 9258 B13R1.497 C=CCCN1CC[C@H]([C@H]1C(=O)O)F 8e23c18131ab6833b5f9a1afae0d61b5 [0,1,0,1,0,0|1,0,0]=3 9259 B13R1.497 C=CCCN1CC[C@H]([C@H]1C(=O)O)O 8fd0c42a2aebb16764ec3eba575b4b4a [0,1,0,1,0,0|1,0,0]=3 9260 B13R1.497 C[C@H]1CCN([C@@H]1C(=O)O)CCC=O 1943673fd9e210c09c1ec8366aaec0e3 [0,1,0,1,0,0|2,0,0]=4 9261 B13R1.497 O=CCCN1CCC(C1C(=O)O)O eba6b57fb77e7ef84f4a77b1c54de1b5 [0,1,0,1,0,0|2,0,0]=4 9262 B13R1.497 O=CCCN1CC[C@@H]([C@@H]1C(=O)O)F 34260a6112b924642ab29caea2d280d7 [0,1,0,1,0,0|2,0,0]=4 9263 B13R1.497 O=CCCN1CC[C@@H]([C@@H]1C(=O)O)O 0dc649c7a45ccee0409c5bf387cb8dde [0,1,0,1,0,0|2,0,0]=4 9264 B13R1.497 O=CCCN1CC[C@@H]([C@H]1C(=O)O)O 69b97499c493119154d0500f4538daeb [0,1,0,1,0,0|2,0,0]=4 9265 B13R1.497 O=CCCN1CC[C@H]([C@@H]1C(=O)O)O 389c9f37d610d074ef477fdd63016d8c [0,1,0,1,0,0|2,0,0]=4 9266 B13R1.497 O=CCCN1CC[C@H]([C@H]1C(=O)O)F 26de1f898c13adecfd4f973a2b6216dd [0,1,0,1,0,0|2,0,0]=4 9267 B13R1.497 O=CCCN1CC[C@H]([C@H]1C(=O)O)O 02fb641d128d4f4a53e31ae7ef17cda7 [0,1,0,1,0,0|2,0,0]=4 9268 B13R1.498 C=CCCN1CCC(C1)CC(=O)N 972c4ef34589c3233677d11fcb15e8b3 [0,1,0,1,0,0|2,0,0]=4 9269 B13R1.498 C=CCCN1CCC(C1)CC(=O)O 1b51144f6fbd400cb3e5fbd8740d4654 [0,1,0,1,0,0|1,0,0]=3 9270 B13R1.498 C=CCCN1CC[C@@H](C1)CC(=O)N 43772a8cec9befbe967fe7b39a9a1293 [0,1,0,1,0,0|2,0,0]=4 9271 B13R1.498 C=CCCN1CC[C@@H](C1)CC(=O)O a5a5acb4d45d837e0ef40723a8940b47 [0,1,0,1,0,0|1,0,0]=3 9272 B13R1.498 C=CCCN1CC[C@H](C1)CC(=O)N b0fd9ae8f96b524f1174d4519ae21298 [0,1,0,1,0,0|2,0,0]=4 9273 B13R1.498 C=CCCN1CC[C@H](C1)CC(=O)O f9e786557ae70409a5134e97d35dddea [0,1,0,1,0,0|1,0,0]=3 9274 B13R1.498 C=CCN[C@@H]1CCN(C1)CC(=O)O c7e26de06853c92719add9b00b36b491 [0,1,0,1,0,0|2,0,0]=4 9275 B13R1.498 C=CCN[C@H]1CCN(C1)CC(=O)O 42be903eb742b2c7e9a2995a224daab5 [0,1,0,1,0,0|2,0,0]=4 9276 B13R1.498 C=CCOC1CCN(C1)CC(=O)O 54152d9ce59e759d1ef18c8f7a9e373f [0,1,0,1,0,0|2,0,0]=4 9277 B13R1.498 C=CCO[C@@H]1CCN(C1)CC(=O)O f7ef280d409bf7766ffb1d22bc964815 [0,1,0,1,0,0|2,0,0]=4 9278 B13R1.498 C=CCO[C@@H]1CC[C@H](C1)CC(=O)O ef6fbf99b4b28a1e82ef23c74172fbca [0,1,0,1,0,0|1,0,0]=3 9279 B13R1.498 C=CCO[C@H]1CC[C@H](C1)CC(=O)O 7587ff6861d879ebbfbf6016f6d06d7b [0,1,0,1,0,0|1,0,0]=3 9280 B13R1.498 O=CCCN1CCC(C1)CC(=O)O fd99abaa9f9935fd14b3723d817a7942 [0,1,0,1,0,0|2,0,0]=4 9281 B13R1.498 O=CCCN1CC[C@@H](C1)CC(=O)O 8d3faeffaa7cf00a119068b5aae1cc62 [0,1,0,1,0,0|2,0,0]=4 9282 B13R1.498 O=CCCN1CC[C@H](C1)CC(=O)O a791eee46c565cd91e44e4edeca7e1f4 [0,1,0,1,0,0|2,0,0]=4 9283 B13R1.498 O=CCO[C@@H]1CC[C@H](C1)CC(=O)O ccf7e2bbfca04b88dcdcc59a970cb5b7 [0,1,0,1,0,0|2,0,0]=4 9284 B13R1.498 O=CCO[C@H]1CC[C@H](C1)CC(=O)O e248756371e845aae0a15a519af086ff [0,1,0,1,0,0|2,0,0]=4 9285 B13R1.593 CC(CC(=O)O)OCC1C=CCC1 ac7da7b929997b8cae4bde817f8b081b [0,1,0,1,0,0|1,0,0]=3 9286 B13R1.593 O=C(O)CC(=O)COC1C=CCC1 37d72d25a2bbb386f6297daeea3a2075 [0,1,0,1,0,0|1,0,1]=4 9287 B13R1.600 O=CC1CC1NCC(O)CC(=O)O 4ac0185f3535ca41f2d9b4a5a0f9754d [0,1,0,1,0,0|2,0,0]=4 9288 B13R1.600 O=CC1CC1NC[C@@H](O)CC(=O)O efb5a244478a1dac840536079621ca58 [0,1,0,1,0,0|2,0,0]=4 9289 B13R1.600 O=CC1CC1NC[C@H](O)CC(=O)O b907c28dcf3357805692d840a99cf107 [0,1,0,1,0,0|2,0,0]=4 9290 B13R1.1107 O=C(O)CN1CCCCCCCC1 cbd36c39a59cfe364940e8f8d70f7c10 [0,1,0,1,0,0|0,0,2]=4 9291 B13R1.1153 C=CCCCN1C[C@H]([C@H]1C(=O)O)C 4e2bf1626e84cf2c16b00c2c859b0b22 [0,1,0,1,0,0|1,0,0]=3 9292 B13R1.1153 C[C@@H]1CN([C@@H]1C(=O)O)CCCC=O b2888064acec401b139c3fdd02c70da4 [0,1,0,1,0,0|2,0,0]=4 9293 B13R1.1154 C=CCCCN1CC(C1)CC(=O)O 2feed93a6696855d7325fb98c9b0906e [0,1,0,1,0,0|1,0,0]=3 9294 B13R1.1154 C=CCCNC1CC(C1)CC(=O)O 4e0e375e878a76db03213c98b847c92a [0,1,0,1,0,0|1,0,0]=3 9295 B13R1.1154 C=CCCO[C@H]1C[C@@H](C1)CC(=O)O f5e3dc9aecd5f7c029d7f31e93f2296d [0,1,0,1,0,0|1,0,0]=3 9296 B13R1.1154 C=CCCO[C@H]1C[C@H](C1)CC(=O)O 0ecb97900c0f40f7706d37dfb3299fd3 [0,1,0,1,0,0|1,0,0]=3 9297 B13R1.1154 O=CCCCN1CC(C1)CC(=O)O b92659c9b2f1943a001ea3b5d4725947 [0,1,0,1,0,0|2,0,0]=4 9298 B13R1.1154 O=CCCNC1CC(C1)CC(=O)O 156257473d9e000f494b1300d4500d8e [0,1,0,1,0,0|2,0,0]=4 9299 B13R1.1154 O=CCCO[C@H]1C[C@@H](C1)CC(=O)O 1946c5a80ed9b72fa520e65c3e8b4445 [0,1,0,1,0,0|2,0,0]=4 9300 B13R1.1154 O=CCCO[C@H]1C[C@H](C1)CC(=O)O aa4d13f4a1632c8856b4ee580d0137c9 [0,1,0,1,0,0|2,0,0]=4 9301 B13R1.2433 C#CCCCCN[C@@H]1C[C@@H]1C(=O)O e71f5150c04c5b3c2f0143b55f03bac2 [0,1,0,1,0,0|0,0,2]=4 9302 B13R1.2433 C#CCCCCN[C@H]1C[C@@H]1C(=O)O edab18ce7a1b6d92981d9d6aae5f0ac7 [0,1,0,1,0,0|0,0,2]=4 9303 B13R1.2433 C#CCCCCN[C@H]1C[C@H]1C(=O)O f48f37b32906d1f18df3552b44222848 [0,1,0,1,0,0|0,0,2]=4 9304 B13R1.2433 C#CCCCCO[C@@H]1C[C@@H]1C(=O)O 234c5279453c165ed2a3b0415f1a31fb [0,1,0,1,0,0|0,0,2]=4 9305 B13R1.2433 C#CCCCCO[C@H]1C[C@@H]1C(=O)O 77969f3e6ca739d44f74735063e3b3be [0,1,0,1,0,0|0,0,2]=4 9306 B13R1.2433 C#CCCCCO[C@H]1C[C@H]1C(=O)O 5b771eb51509a4489b23fad06c166935 [0,1,0,1,0,0|0,0,2]=4 9307 B13R1.2433 C#CCCCNCC1CC1C(=O)O 9e9c05b48f0ed2eba7f6666f614c3e3d [0,1,0,1,0,0|0,0,2]=4 9308 B13R1.2433 C#CCCCNC[C@@H]1C[C@H]1C(=O)O 1be1bfffa7ab593a24123358a135f6c1 [0,1,0,1,0,0|0,0,2]=4 9309 B13R1.2433 C#CCCCOCC1CC1C(=O)O 04a0224343b33d5e3da343c49806fb42 [0,1,0,1,0,0|0,0,2]=4 9310 B13R1.2433 C#CCCCOC[C@@H]1C[C@H]1C(=O)O 17d1be851ae2e9cd65556524546cfbc0 [0,1,0,1,0,0|0,0,2]=4 9311 B13R1.2433 C#CCCCOC[C@H]1C[C@@H]1C(=O)O 24ef43a9f58b966354c693394120911d [0,1,0,1,0,0|0,0,2]=4 9312 B13R1.2433 C#CCCCOC[C@H]1C[C@H]1C(=O)O 132aeef2f8dac854e05c9eee2bb3e8b3 [0,1,0,1,0,0|0,0,2]=4 9313 B13R1.2433 C/C=C/CCCO[C@@H]1C[C@@H]1C(=O)O dd1570d8608d669b07f9a9e638f5e565 [0,1,0,1,0,0|1,0,0]=3 9314 B13R1.2433 C/C=C/CCCO[C@H]1C[C@@H]1C(=O)O 10c560f549aa472003dc4f8dfe475fa1 [0,1,0,1,0,0|1,0,0]=3 9315 B13R1.2433 C/C=C/CCCO[C@H]1C[C@H]1C(=O)O 3fc3b2e43b788eac2407004afc3d58a3 [0,1,0,1,0,0|1,0,0]=3 9316 B13R1.2433 C/C=C/CCOCC1CC1C(=O)O 5bb0c681d29bd4ec5b75bf1cbe8c7b8a [0,1,0,1,0,0|1,0,0]=3 9317 B13R1.2433 C/C=C/CCOC[C@@H]1C[C@H]1C(=O)O ee7883f38d3fdbe37bcfcf96fa6f3d34 [0,1,0,1,0,0|1,0,0]=3 9318 B13R1.2433 C/C=C\CCCO[C@@H]1C[C@@H]1C(=O)O f784b1a013c55d74df343c02326bc906 [0,1,0,1,0,0|1,0,0]=3 9319 B13R1.2433 C/C=C\CCCO[C@H]1C[C@@H]1C(=O)O df28a56a0f2abaeeaa636e7b8956e323 [0,1,0,1,0,0|1,0,0]=3 9320 B13R1.2433 C/C=C\CCCO[C@H]1C[C@H]1C(=O)O 0078495aa45c47fe7244452ffb7a4a86 [0,1,0,1,0,0|1,0,0]=3 9321 B13R1.2433 C=C/C=C/CCN[C@@H]1C[C@@H]1C(=O)O f7cad4c2d12e8916ac74ab0b09e6f5d0 [0,1,0,1,0,0|0,0,2]=4 9322 B13R1.2433 C=C/C=C/CCN[C@H]1C[C@@H]1C(=O)O 217edb2e4d652580fd3cf3d5f09ff05a [0,1,0,1,0,0|0,0,2]=4 9323 B13R1.2433 C=C/C=C/CCN[C@H]1C[C@H]1C(=O)O c1a201767212d3ac6d6a6a603f618ce4 [0,1,0,1,0,0|0,0,2]=4 9324 B13R1.2433 C=C=CCCOCC1CC1C(=O)O 05ef10a941c2b8dca72e31562c3c8a56 [0,1,0,1,0,0|1,0,0]=3 9325 B13R1.2433 C=C=CCCOC[C@@H]1C[C@H]1C(=O)O b373d7430cbcd92cc7d690baada9cdc6 [0,1,0,1,0,0|1,0,0]=3 9326 B13R1.2433 C=CCCCCN[C@@H]1C[C@@H]1C(=O)O dcb8fca0612efc96c2722d8c4bb7aae4 [0,1,0,1,0,0|0,0,0]=2 9327 B13R1.2433 C=CCCCCN[C@H]1C[C@@H]1C(=O)O 4502d8bf015ff9f9f5e1c67787caf8d3 [0,1,0,1,0,0|0,0,0]=2 9328 B13R1.2433 C=CCCCCN[C@H]1C[C@H]1C(=O)O 430c1de69f62ec9f2cfe6d3ac3346558 [0,1,0,1,0,0|0,0,0]=2 9329 B13R1.2433 C=CCCCCO[C@@H]1C[C@@H]1C(=O)O 10a7dacaca21c9774a0e7c50aaa106bd [0,1,0,1,0,0|0,0,0]=2 9330 B13R1.2433 C=CCCCCO[C@H]1C[C@@H]1C(=O)O 83e5048caa7b73e56435222cc76a0383 [0,1,0,1,0,0|0,0,0]=2 9331 B13R1.2433 C=CCCCCO[C@H]1C[C@H]1C(=O)O 547e7e5fe1d8fff4bd2918b96ee7bcfd [0,1,0,1,0,0|0,0,0]=2 9332 B13R1.2433 C=CCCCNCC1CC1C(=O)O 9f16357a41ef27197cc67272dd65edaa [0,1,0,1,0,0|0,0,0]=2 9333 B13R1.2433 C=CCCCNC[C@@H]1C[C@H]1C(=O)O e6faa98ba9d178584ff5ba6ea89912cd [0,1,0,1,0,0|0,0,0]=2 9334 B13R1.2433 C=CCCCOCC1CC1C(=O)O caa5f7279b0d3bcbdfb50fa4f0830106 [0,1,0,1,0,0|0,0,0]=2 9335 B13R1.2433 C=CCCCOC[C@@H]1C[C@H]1C(=O)O fe22e018e8a74fe80f395c7f2a6202d2 [0,1,0,1,0,0|0,0,0]=2 9336 B13R1.2433 C=CCCCOC[C@H]1C[C@@H]1C(=O)O e686a438be247a655b856ceb9f3f7eff [0,1,0,1,0,0|0,0,0]=2 9337 B13R1.2433 C=CCCCOC[C@H]1C[C@H]1C(=O)O 56246124ab3157a851196ad9c8d353aa [0,1,0,1,0,0|0,0,0]=2 9338 B13R1.2433 C=CCOCCO[C@@H]1C[C@@H]1C(=O)O 4a907785eb82bd53d2ed0641bb4dd1b7 [0,1,0,1,0,0|1,0,0]=3 9339 B13R1.2433 C=CCOCCO[C@H]1C[C@@H]1C(=O)O 3320e1b6bbe5793645a1fafe968c42c8 [0,1,0,1,0,0|1,0,0]=3 9340 B13R1.2433 C=CCOCCO[C@H]1C[C@H]1C(=O)O 912a0d29b719cca964bb5e38996bf300 [0,1,0,1,0,0|1,0,0]=3 9341 B13R1.2433 C=COCCCN[C@@H]1C[C@@H]1C(=O)O 05f521f7cc367ea9c1729e313a4d353e [0,1,0,1,0,0|1,0,0]=3 9342 B13R1.2433 C=COCCCN[C@H]1C[C@@H]1C(=O)O b35bfb19fd7d34a81aba8dda36961ad3 [0,1,0,1,0,0|1,0,0]=3 9343 B13R1.2433 C=COCCCN[C@H]1C[C@H]1C(=O)O 6402193c4024129d5f7f7f7bc7b3af6c [0,1,0,1,0,0|1,0,0]=3 9344 B13R1.2433 C=COCCNCC1CC1C(=O)O 44516386308b38a322819d1302562cc6 [0,1,0,1,0,0|1,0,0]=3 9345 B13R1.2433 C=COCCNC[C@@H]1C[C@H]1C(=O)O 5eca973cdd735cd930525b47e691d9ad [0,1,0,1,0,0|1,0,0]=3 9346 B13R1.2433 C=COCCOCC1CC1C(=O)O 242c5d3d57cec24e85a6264c139fde54 [0,1,0,1,0,0|1,0,0]=3 9347 B13R1.2433 C=COCCOC[C@@H]1C[C@H]1C(=O)O dbafa0392b91d28fc0cc4c5cabfdebf6 [0,1,0,1,0,0|1,0,0]=3 9348 B13R1.2433 CC=CCCCO[C@@H]1C[C@@H]1C(=O)O b56b8849a78b0b4d067d52b1237d5c54 [0,1,0,1,0,0|1,0,0]=3 9349 B13R1.2433 CC=CCCCO[C@H]1C[C@@H]1C(=O)O eb6cfa40f6fdd7735fadfd1e2cde8467 [0,1,0,1,0,0|1,0,0]=3 9350 B13R1.2433 CC=CCCCO[C@H]1C[C@H]1C(=O)O a41f3941202fb31f39efe9d33804eb62 [0,1,0,1,0,0|1,0,0]=3 9351 B13R1.2433 CCCCCCN[C@@H]1C[C@@H]1C(=O)O 3eb3af4d5dadaf5c317fdf90f20cab6a [0,1,0,1,0,0|0,0,2]=4 9352 B13R1.2433 CCCCCCN[C@H]1C[C@@H]1C(=O)O 9549dc6a40d8ff8d17b0ff26f6446456 [0,1,0,1,0,0|0,0,2]=4 9353 B13R1.2433 CCCCCCN[C@H]1C[C@H]1C(=O)O d31a9b424e9bb9339bb61342076b58b4 [0,1,0,1,0,0|0,0,2]=4 9354 B13R1.2433 CCCCCCO[C@@H]1C[C@@H]1C(=O)O 92a5ce71c43cc089a1896a7210a0551c [0,1,0,1,0,0|0,0,2]=4 9355 B13R1.2433 CCCCCCO[C@H]1C[C@@H]1C(=O)O 8f176b5ea38b3e12c25f50b87653aa5f [0,1,0,1,0,0|0,0,2]=4 9356 B13R1.2433 CCCCCCO[C@H]1C[C@H]1C(=O)O 44ed97762d956099dd05cafc6350983e [0,1,0,1,0,0|0,0,2]=4 9357 B13R1.2433 CCCCCNCC1CC1C(=O)O bc2bce834246f8c73407a3c734d0de8d [0,1,0,1,0,0|0,0,2]=4 9358 B13R1.2433 CCCCCNC[C@@H]1C[C@H]1C(=O)O fbb8e679ebb26e1ae2d432955c331595 [0,1,0,1,0,0|0,0,2]=4 9359 B13R1.2433 CCCCCOCC1CC1C(=O)O abecabf4ac22cc07c3b3889a8b4b00e4 [0,1,0,1,0,0|0,0,2]=4 9360 B13R1.2433 CCCCCOC[C@@H]1C[C@H]1C(=O)O 8b205a62c0d1d6ec32ee81d0ae062b4c [0,1,0,1,0,0|0,0,2]=4 9361 B13R1.2433 CCCCCOC[C@H]1C[C@@H]1C(=O)O c486800046bf6e3294d2b7532fd0dcb5 [0,1,0,1,0,0|0,0,2]=4 9362 B13R1.2433 CCCCCOC[C@H]1C[C@H]1C(=O)O 58470869c5c6d63b72f0eb2e342e411e [0,1,0,1,0,0|0,0,2]=4 9363 B13R1.2433 COCCCCN[C@@H]1C[C@@H]1C(=O)O ff4777d713c5d0ca37360566661ecea6 [0,1,0,1,0,0|1,0,1]=4 9364 B13R1.2433 COCCCCN[C@H]1C[C@@H]1C(=O)O 44e05217840227e3308fc518392eeceb [0,1,0,1,0,0|1,0,1]=4 9365 B13R1.2433 COCCCCN[C@H]1C[C@H]1C(=O)O f12515e575bc9fd7710521ea1579801c [0,1,0,1,0,0|1,0,1]=4 9366 B13R1.2433 COCCCCO[C@@H]1C[C@@H]1C(=O)O 51d36ac38ffaf8a4046e4d45973ce168 [0,1,0,1,0,0|1,0,1]=4 9367 B13R1.2433 COCCCCO[C@H]1C[C@@H]1C(=O)O d576a4284e391e19a6a39a07d6ecb07b [0,1,0,1,0,0|1,0,1]=4 9368 B13R1.2433 COCCCCO[C@H]1C[C@H]1C(=O)O 2586e792708e9c23747791a37f6a01b2 [0,1,0,1,0,0|1,0,1]=4 9369 B13R1.2433 COCCCNCC1CC1C(=O)O c9c30dafbc42f9a8c9f93c7548c21969 [0,1,0,1,0,0|1,0,1]=4 9370 B13R1.2433 COCCCNC[C@@H]1C[C@H]1C(=O)O 370aae7a23f9a38aa992a13b73ef6508 [0,1,0,1,0,0|1,0,1]=4 9371 B13R1.2433 COCCCOCC1CC1C(=O)O 2e7894dc496c557bf9122858b600630d [0,1,0,1,0,0|1,0,1]=4 9372 B13R1.2433 COCCCOC[C@@H]1C[C@H]1C(=O)O 47c29d761da33b6dc143cc0f1513d6d9 [0,1,0,1,0,0|1,0,1]=4 9373 B13R1.2433 COCCCOC[C@H]1C[C@@H]1C(=O)O cdfb32b8fd82ff7a63629fcfd5d86fa3 [0,1,0,1,0,0|1,0,1]=4 9374 B13R1.2433 COCCCOC[C@H]1C[C@H]1C(=O)O 0108dc19094668fad7a5df448b0259dc [0,1,0,1,0,0|1,0,1]=4 9375 B13R1.2433 CSCCCCN[C@@H]1C[C@@H]1C(=O)O 99e0bd9a90190d33b3c141632611e02d [0,1,0,1,0,0|1,0,1]=4 9376 B13R1.2433 CSCCCCN[C@H]1C[C@@H]1C(=O)O 50176f0d0a06d6c560a066ebf00a4a22 [0,1,0,1,0,0|1,0,1]=4 9377 B13R1.2433 CSCCCCN[C@H]1C[C@H]1C(=O)O 971a6dd19c8f6a5d1b51bbfab6a7e8b8 [0,1,0,1,0,0|1,0,1]=4 9378 B13R1.2433 CSCCCCO[C@@H]1C[C@@H]1C(=O)O e553bea94385375cebc55a3cdd4e1521 [0,1,0,1,0,0|1,0,1]=4 9379 B13R1.2433 CSCCCCO[C@H]1C[C@@H]1C(=O)O 6f50fe37c4ecca7566d0e4d9bf4d6f28 [0,1,0,1,0,0|1,0,1]=4 9380 B13R1.2433 CSCCCCO[C@H]1C[C@H]1C(=O)O 088a6d5729e4fe72b872911e0fb95c44 [0,1,0,1,0,0|1,0,1]=4 9381 B13R1.2433 CSCCCNCC1CC1C(=O)O a47ce5201718f4f3f03489c1515d8b94 [0,1,0,1,0,0|1,0,1]=4 9382 B13R1.2433 CSCCCNC[C@@H]1C[C@H]1C(=O)O 70ecf0ec2316baa77ce7d394e0236ddc [0,1,0,1,0,0|1,0,1]=4 9383 B13R1.2433 CSCCCOCC1CC1C(=O)O 215f3a2b6aa317618f1a2f0673d135f9 [0,1,0,1,0,0|1,0,1]=4 9384 B13R1.2433 CSCCCOC[C@@H]1C[C@H]1C(=O)O eb070d2b4b3404e1d9a9cbed37324fd3 [0,1,0,1,0,0|1,0,1]=4 9385 B13R1.2433 CSCCCOC[C@H]1C[C@@H]1C(=O)O b8affd5775773f537895e6704a3aecfe [0,1,0,1,0,0|1,0,1]=4 9386 B13R1.2433 CSCCCOC[C@H]1C[C@H]1C(=O)O 034f02819515b046a39a7266d668f7c2 [0,1,0,1,0,0|1,0,1]=4 9387 B13R1.2433 N#CCCCCN[C@@H]1C[C@@H]1C(=O)O d5d407f1801723980aaa034083fedee9 [0,1,0,1,0,0|1,0,1]=4 9388 B13R1.2433 N#CCCCCN[C@H]1C[C@@H]1C(=O)O 2a902f2943e6ff24d8969ad03ac53567 [0,1,0,1,0,0|1,0,1]=4 9389 B13R1.2433 N#CCCCCN[C@H]1C[C@H]1C(=O)O 27fedfc043ddd4f07fb10938856e0dcd [0,1,0,1,0,0|1,0,1]=4 9390 B13R1.2433 N#CCCCCO[C@@H]1C[C@@H]1C(=O)O b9e9aa3f377eaedb81c70ac96f5ec07d [0,1,0,1,0,0|1,0,1]=4 9391 B13R1.2433 N#CCCCCO[C@H]1C[C@@H]1C(=O)O ecc319fb9b12bff766cf8c74210039ec [0,1,0,1,0,0|1,0,1]=4 9392 B13R1.2433 N#CCCCCO[C@H]1C[C@H]1C(=O)O e52b5d8f3e8a914e03e68011ee1ddde6 [0,1,0,1,0,0|1,0,1]=4 9393 B13R1.2433 N#CCCCNCC1CC1C(=O)O 23942568ba6b707736e18e7062b0b479 [0,1,0,1,0,0|1,0,1]=4 9394 B13R1.2433 N#CCCCNC[C@@H]1C[C@H]1C(=O)O aa3d9c5782c8f9550407a644e80079ba [0,1,0,1,0,0|1,0,1]=4 9395 B13R1.2433 N#CCCCOCC1CC1C(=O)O 515f4a5d942534b9279542c790b09304 [0,1,0,1,0,0|1,0,1]=4 9396 B13R1.2433 N#CCCCOC[C@@H]1C[C@H]1C(=O)O 848d83b091489bc4fea7c70725246864 [0,1,0,1,0,0|1,0,1]=4 9397 B13R1.2433 N#CCCCOC[C@H]1C[C@@H]1C(=O)O a78d36333662c1cdd699fdd3ce1c5253 [0,1,0,1,0,0|1,0,1]=4 9398 B13R1.2433 N#CCCCOC[C@H]1C[C@H]1C(=O)O 9207379fa54e708c3bd155a9ba7bc754 [0,1,0,1,0,0|1,0,1]=4 9399 B13R1.2433 O=C(O)C1CC1CNCCCCCl 9e6e664274f201c4d6bcb95e409aa0a9 [0,1,0,1,0,0|1,0,1]=4 9400 B13R1.2433 O=C(O)C1CC1CNCCCCO 64bb89707fff0605f9c06846a40b423b [0,1,0,1,0,0|1,0,1]=4 9401 B13R1.2433 O=C(O)C1CC1CNCCCCS f8398139572362c39b49eea6f4bff5ac [0,1,0,1,0,0|1,0,1]=4 9402 B13R1.2433 O=C(O)C1CC1COCCCCF 886eb93e16f50e4c1a03b2141088387b [0,1,0,1,0,0|1,0,1]=4 9403 B13R1.2433 O=C(O)C1CC1COCCCCS 2e6a7734d4aa478a3734dcbd7da48a79 [0,1,0,1,0,0|1,0,1]=4 9404 B13R1.2433 O=C(O)[C@@H]1C[C@@H]1COCCCCF 2d6c54f9a5b7b6348638920482e9ed1d [0,1,0,1,0,0|1,0,1]=4 9405 B13R1.2433 O=C(O)[C@@H]1C[C@@H]1NCCCCCCl e96bcd1c61edb36640d7bf602e713290 [0,1,0,1,0,0|1,0,1]=4 9406 B13R1.2433 O=C(O)[C@@H]1C[C@@H]1NCCCCCO 464604d16b729014f266a34dafb09b78 [0,1,0,1,0,0|1,0,1]=4 9407 B13R1.2433 O=C(O)[C@@H]1C[C@H]1CNCCCCCl 4031e8c56266e7a62b29cce03035d259 [0,1,0,1,0,0|1,0,1]=4 9408 B13R1.2433 O=C(O)[C@@H]1C[C@H]1CNCCCCF f5332d3bd512eea1d33699132bb8516b [0,1,0,1,0,0|1,0,1]=4 9409 B13R1.2433 O=C(O)[C@@H]1C[C@H]1CNCCCCO 18ef9d09211cbb0e2ae0497fbdb04be4 [0,1,0,1,0,0|1,0,1]=4 9410 B13R1.2433 O=C(O)[C@@H]1C[C@H]1CNCCCCS 8c30d4bcbbd6fcc68cc23c841d982b75 [0,1,0,1,0,0|1,0,1]=4 9411 B13R1.2433 O=C(O)[C@@H]1C[C@H]1COCCCCF dcd3b14701849241c633c89b9e038162 [0,1,0,1,0,0|1,0,1]=4 9412 B13R1.2433 O=C(O)[C@@H]1C[C@H]1COCCCCS 55d856fdb2a07d3e00cd588f2c31434f [0,1,0,1,0,0|1,0,1]=4 9413 B13R1.2433 O=C(O)[C@H]1C[C@@H]1COCCCCF cfe767847e3c8e962e08ca2ad714295d [0,1,0,1,0,0|1,0,1]=4 9414 B13R1.2433 O=C(O)[C@H]1C[C@@H]1NCCCCCCl 69786113e7a41108f905b9bfc41f2ba4 [0,1,0,1,0,0|1,0,1]=4 9415 B13R1.2433 O=C(O)[C@H]1C[C@@H]1NCCCCCO 6d633d6824e70ea2e72c4e1cc0cefaa3 [0,1,0,1,0,0|1,0,1]=4 9416 B13R1.2433 O=C(O)[C@H]1C[C@H]1NCCCCCCl 47bd5f0663403bef08952b34c9a52dbf [0,1,0,1,0,0|1,0,1]=4 9417 B13R1.2433 O=C(O)[C@H]1C[C@H]1NCCCCCO c7d5d5537f45ecfd3b0e6ccd71784c28 [0,1,0,1,0,0|1,0,1]=4 9418 B13R1.2433 O=C/C=C/COCC1CC1C(=O)O 216d1e0445bb4f1f8b549eb472201841 [0,1,0,1,0,0|1,0,1]=4 9419 B13R1.2433 O=C/C=C/COC[C@@H]1C[C@H]1C(=O)O 1c735505b8d090d52b8a252178c61f79 [0,1,0,1,0,0|1,0,1]=4 9420 B13R1.2433 O=CCCCCO[C@@H]1C[C@@H]1C(=O)O 4955ae97ed67de98c7f214ac623a625f [0,1,0,1,0,0|1,0,0]=3 9421 B13R1.2433 O=CCCCCO[C@H]1C[C@@H]1C(=O)O 3e8fcf8fcdf4732da388b285a2896485 [0,1,0,1,0,0|1,0,0]=3 9422 B13R1.2433 O=CCCCCO[C@H]1C[C@H]1C(=O)O 3ad45df472255fd3086329d174d08383 [0,1,0,1,0,0|1,0,0]=3 9423 B13R1.2433 O=CCCCNC[C@@H]1C[C@H]1C(=O)O 81013a7b56b81495be5a235d5cc859c6 [0,1,0,1,0,0|1,0,0]=3 9424 B13R1.2433 O=CCCCOCC1CC1C(=O)O 14f681db2d4200b01524ba688ca3e851 [0,1,0,1,0,0|1,0,0]=3 9425 B13R1.2433 O=CCCCOC[C@@H]1C[C@H]1C(=O)O d8566364cfb4be1bfefdba8d05ba0246 [0,1,0,1,0,0|1,0,0]=3 9426 B13R1.2433 O=CCCCOC[C@H]1C[C@@H]1C(=O)O 89e42c09d2bc2d8fa0157a3683f54b6a [0,1,0,1,0,0|1,0,0]=3 9427 B13R1.2433 O=CCCCOC[C@H]1C[C@H]1C(=O)O 0802f9bf8bf13391aa931e9899d0f384 [0,1,0,1,0,0|1,0,0]=3 9428 B13R1.2433 O=CCOCCO[C@@H]1C[C@@H]1C(=O)O c18f3bac20a636cb6cb3e443e0fa99a5 [0,1,0,1,0,0|2,0,0]=4 9429 B13R1.2433 O=CCOCCO[C@H]1C[C@@H]1C(=O)O ca420479aa64402ded8fa20fc980deae [0,1,0,1,0,0|2,0,0]=4 9430 B13R1.2433 O=CCOCCO[C@H]1C[C@H]1C(=O)O eb56ec9d258fe62516b952e554927711 [0,1,0,1,0,0|2,0,0]=4 9431 B13R1.2433 O=CNCCOCC1CC1C(=O)O d148aa0ff9016ac8d7af2f008dfcead7 [0,1,0,1,0,0|2,0,0]=4 9432 B13R1.2433 O=CNCCOC[C@@H]1C[C@H]1C(=O)O 5452ea969b17ff9145d3762984c4c9eb [0,1,0,1,0,0|2,0,0]=4 9433 B13R1.2433 O=COCCOCC1CC1C(=O)O 0b0aad6bc28e938f0e3a33ca5c46a767 [0,1,0,1,0,0|2,0,0]=4 9434 B13R1.2433 O=COCCOC[C@@H]1C[C@H]1C(=O)O 62a35436901a79fd0a3c5d72baab0e9a [0,1,0,1,0,0|2,0,0]=4 9435 B13R1.2790 C=C1CC1COCC(=O)CC(=O)O 713bacd1b895e27446adf1bc132ece71 [0,1,0,1,0,0|1,0,1]=4 9436 B13R1.2897 C=CCN1CCC[C@@H]([C@H]1C(=O)O)O 2ca54b6fa668921fa6ddef664b1983c7 [0,1,0,1,0,0|1,0,0]=3 9437 B13R1.2897 C=CCN1CCC[C@H]([C@@H]1C(=O)O)O eee711d01458ec6ad3d8771b4aca1c2b [0,1,0,1,0,0|1,0,0]=3 9438 B13R1.2897 C=CCN1CCC[C@H]([C@H]1C(=O)N)C ccb29cb3d9adec817b8bf529a3d167ba [0,1,0,1,0,0|2,0,0]=4 9439 B13R1.2897 C=CCN1CCO[C@@H]([C@H]1C(=O)O)C 4366b9aa471116b4f5974f4cc07e2cc6 [0,1,0,1,0,0|2,0,0]=4 9440 B13R1.2897 O=CCN1CCC[C@@H]([C@H]1C(=O)O)O 5ad2463225b8d71045ee4c1749aea6cb [0,1,0,1,0,0|2,0,0]=4 9441 B13R1.2897 O=CCN1CCC[C@H]([C@@H]1C(=O)O)O 819a551f98ce17fba53fb29d3b6aaa89 [0,1,0,1,0,0|2,0,0]=4 9442 B13R1.5437 C=CCCCOCC1(CC(=O)C1)C 908ca932292c1c16f661387b7b4eaf45 [0,1,0,1,0,0|2,0,0]=4 9443 B13R1.18 C=CCCC(C)N1CCCC(=O)C1 3c33ffed4bccb9d35b40d7fa38e52325 [0,1,0,1,0,0|2,0,0]=4 9444 B13R1.18 C=CCCN(C)C1CCCC(=O)C1 656517d9dbeece16e8029bb3a1acddf3 [0,1,0,1,0,0|2,0,0]=4 9445 B13R1.43 C=CCCC(C)OC1CCC(=O)C1 af2ef223d60d887b3c8a4e2251496d43 [0,1,0,1,0,0|2,0,0]=4 9446 B13R1.43 C=CCCN(C)CC1CCC(=O)N1 dd84da559cc564175dd25f2ad983b3e3 [0,1,0,1,0,0|2,0,0]=4 9447 B13R1.43 C=CCCN(C)CC1CCC(=O)O1 e77fbdae8010f53aef6d9311145bfa8e [0,1,0,1,0,0|1,0,0]=3 9448 B13R1.43 C=CCCN(C)C[C@@H]1CCC(=O)N1 5afbfbc800c8b68f2ca255633c1c4a75 [0,1,0,1,0,0|2,0,0]=4 9449 B13R1.43 C=CCCN(C)C[C@H]1CCC(=O)N1 4235f46b2fb314a0841e89cb01087cd8 [0,1,0,1,0,0|2,0,0]=4 9450 B13R1.128 C=C(Br)CCOCC1CCC(=O)N1 6e0c0e6674d1e34af03856e22b723036 [0,1,0,1,0,0|2,0,0]=4 9451 B13R1.128 C=C(Br)CCOCC1CCC(=O)O1 bd0512efd78df135e0f7fc902f44a913 [0,1,0,1,0,0|1,0,0]=3 9452 B13R1.128 C=C(Br)CCOC[C@@H]1CCC(=O)N1 76752bf0e44a50b0649c22f50266ac7e [0,1,0,1,0,0|2,0,0]=4 9453 B13R1.128 C=C(Br)CCOC[C@H]1CCC(=O)N1 9fd5a956ecad1880c7e2ae7c94f17244 [0,1,0,1,0,0|2,0,0]=4 9454 B13R1.128 C=C(Br)COCC[C@@H]1CCC(=O)N1 947ff9036bc22252aa5edaaec7a9ebb5 [0,1,0,1,0,0|2,0,0]=4 9455 B13R1.128 C=C(C)CCNCC1CCC(=O)N1 62bc1255b004745e3bf74f8277ce700e [0,1,0,1,0,0|2,0,0]=4 9456 B13R1.128 C=C(C)CCNCC1CCC(=O)O1 3b7a5ac6551cd76ee938ee83284d0709 [0,1,0,1,0,0|1,0,0]=3 9457 B13R1.128 C=C(C)CCNC[C@@H]1CCC(=O)N1 c33f364b6f76d73268223221bf45480e [0,1,0,1,0,0|2,0,0]=4 9458 B13R1.128 C=C(C)CCNC[C@H]1CCC(=O)N1 61f994ffcdc9e752c97c04ef5c6ca98e [0,1,0,1,0,0|2,0,0]=4 9459 B13R1.128 C=C(C)CCOCC1CCC(=O)C1 62cbe7fd0312aedcca43fe0a69422695 [0,1,0,1,0,0|2,0,0]=4 9460 B13R1.128 C=C(C)CCOCC1CCC(=O)N1 d231ed0dbf82da92029f799331669356 [0,1,0,1,0,0|2,0,0]=4 9461 B13R1.128 C=C(C)CCOCC1CCC(=O)O1 0ec11e1d155564ae7e0822fc7e2740d6 [0,1,0,1,0,0|1,0,0]=3 9462 B13R1.128 C=C(C)CCOC[C@@H]1CCC(=O)C1 79df2421fb7717fffc93c1f34d5e747e [0,1,0,1,0,0|2,0,0]=4 9463 B13R1.128 C=C(C)CCOC[C@@H]1CCC(=O)N1 a77436425c2d680e733c153604af8541 [0,1,0,1,0,0|2,0,0]=4 9464 B13R1.128 C=C(C)CCOC[C@H]1CCC(=O)N1 725191a923aa8d63409a2c7775394c6a [0,1,0,1,0,0|2,0,0]=4 9465 B13R1.128 C=C(C)COCC[C@@H]1CCC(=O)N1 7dad83f34de550ed189632ab8ab00401 [0,1,0,1,0,0|2,0,0]=4 9466 B13R1.128 C=C(Cl)COCC[C@@H]1CCC(=O)N1 edfd50283d5cce92e62b74754818055c [0,1,0,1,0,0|2,0,0]=4 9467 B13R1.128 C=C(F)COCC[C@@H]1CCC(=O)N1 4022f8fe2ab7a8693871a6e22e5e30df [0,1,0,1,0,0|2,0,0]=4 9468 B13R1.128 CC(=O)CCCN[C@@H]1C=C[C@@H](C1)O 05a5960302df92af9afc4a892a2246f8 [0,1,0,1,0,0|2,0,0]=4 9469 B13R1.128 CC(=O)CCCN[C@H]1C=C[C@H](C1)O 64a44936d612203d89debd3e2caa6e0c [0,1,0,1,0,0|2,0,0]=4 9470 B13R1.128 CC(=O)CCOCC1CCC(=O)O1 ffd2d389de947585f79b4ae206a00068 [0,1,0,1,0,0|1,0,1]=4 9471 B13R1.128 CC(=O)CCOC[C@@H]1CCC(=O)O1 6684166ee447f846756b9a9582b09fe6 [0,1,0,1,0,0|1,0,1]=4 9472 B13R1.128 CC(=O)CCOC[C@H]1CCC(=O)O1 aa944700cf61b3b10ef1751a649d4e88 [0,1,0,1,0,0|1,0,1]=4 9473 B13R1.128 NC(=O)CCCN[C@@H]1C=C[C@@H](C1)O 1901cc2bb176db03dc686d82d3817e41 [0,1,0,1,0,0|2,0,0]=4 9474 B13R1.128 NC(=O)CCCN[C@H]1C=C[C@H](C1)O 35eb7ad1bd6b926c5a52b9815f9a9c77 [0,1,0,1,0,0|2,0,0]=4 9475 B13R1.128 NC(=O)CCNCC1CCC(=O)O1 54cbee1b8b41d03353d42025eee7b9f2 [0,1,0,1,0,0|2,0,0]=4 9476 B13R1.128 NC(=O)CCOCC1CCC(=O)O1 55ab4cfa089769077aeabf1afe883c8f [0,1,0,1,0,0|2,0,0]=4 9477 B13R1.128 NC(=O)CCOC[C@@H]1CCC(=O)O1 950127d257e011e77f49348fc3c4f96a [0,1,0,1,0,0|2,0,0]=4 9478 B13R1.128 NC(=O)CCOC[C@H]1CCC(=O)O1 d02114d39e4334ac0e79902bd5d7ced1 [0,1,0,1,0,0|2,0,0]=4 9479 B13R1.128 NC(=S)CCNCC1CCC(=O)O1 aa8d0e021099af87b8891f32c48a8554 [0,1,0,1,0,0|2,0,0]=4 9480 B13R1.128 O=C(O)CCCN[C@@H]1C=C[C@@H](C1)O 3b0949b5c1c68ab33d7f26be99bd7e58 [0,1,0,1,0,0|1,0,0]=3 9481 B13R1.128 O=C(O)CCCN[C@H]1C=C[C@H](C1)O 50c775360660377cb4fa9a73e0949a40 [0,1,0,1,0,0|1,0,0]=3 9482 B13R1.128 O=C(O)CCNCC1CCC(=O)N1 f9d151a85e44acf91ae1df1bfeb560d2 [0,1,0,1,0,0|2,0,0]=4 9483 B13R1.128 O=C(O)CCNCC1CCC(=O)O1 8deda69e4a912ce7b092aa838137fa54 [0,1,0,1,0,0|2,0,0]=4 9484 B13R1.128 O=C(O)CCNC[C@@H]1CCC(=O)N1 ea6525e66c7e2cf370e8e65fdb00379f [0,1,0,1,0,0|2,0,0]=4 9485 B13R1.128 O=C(O)CCNC[C@H]1CCC(=O)N1 b9a30f042c27ee892f8c455102209f61 [0,1,0,1,0,0|2,0,0]=4 9486 B13R1.128 O=C(O)CCOCC1CCC(=O)C1 4b9cc0624e25d28bd630087a3fc9c702 [0,1,0,1,0,0|1,0,1]=4 9487 B13R1.128 O=C(O)CCOCC1CCC(=O)N1 6a10a8e9b5c499e080b7d8284318b3c4 [0,1,0,1,0,0|2,0,0]=4 9488 B13R1.128 O=C(O)CCOCC1CCC(=O)O1 2892a67d3a8c793bb2fbd77ef3380922 [0,1,0,1,0,0|2,0,0]=4 9489 B13R1.128 O=C(O)CCOC[C@@H]1CCC(=O)C1 3d882c48e13b8c47d6fbab6434aeb306 [0,1,0,1,0,0|1,0,1]=4 9490 B13R1.128 O=C(O)CCOC[C@@H]1CCC(=O)N1 df44278db1c19d791fa04012d6344fab [0,1,0,1,0,0|2,0,0]=4 9491 B13R1.128 O=C(O)CCOC[C@H]1CCC(=O)N1 854758dbd306dac855a550d87129dbe5 [0,1,0,1,0,0|2,0,0]=4 9492 B13R1.128 O=C(O)COCC[C@@H]1CCC(=O)N1 978ca031ddeb51a127f606bcdcfab072 [0,1,0,1,0,0|2,0,0]=4 9493 B13R1.158 CC(=O)CCOC1CCCC=C1Br db5860aed516c0ea3030efcdffb47257 [0,1,0,1,0,0|2,0,0]=4 9494 B13R1.158 CC(=O)CCOC1CCCCC1=O a9d8820cc5004c0278373f5f5af1522a [0,1,0,1,0,0|2,0,0]=4 9495 B13R1.158 CC1CCCCC1CNCC(=O)O 4dd033528fcbc190e7d625a268908f17 [0,1,0,1,0,0|0,0,2]=4 9496 B13R1.158 CC1CCCCC1NCCC(=O)O 29242fa775e09dae5b05be0ad18a9856 [0,1,0,1,0,0|0,0,2]=4 9497 B13R1.158 CC1CCCCC1OCCC(=O)O 6da45ed9f18470aea1f2407b7f8b3529 [0,1,0,1,0,0|0,0,2]=4 9498 B13R1.158 CN1CCCCC1CNCC(=O)O 0aaf2d162d0129eb03f4555b9d3100d3 [0,1,0,1,0,0|1,0,1]=4 9499 B13R1.158 CN1CCCCC1COCC(=O)O d7f67f54947d207443a7daad39c8e06a [0,1,0,1,0,0|1,0,1]=4 9500 B13R1.158 CN1CCCC[C@@H]1COCC(=O)O 706a5daea7e6ddbafd9e6299757cb933 [0,1,0,1,0,0|1,0,1]=4 9501 B13R1.158 CN1CCCC[C@H]1COCC(=O)O fccf36bdba34c7d489182a64b71f8465 [0,1,0,1,0,0|1,0,1]=4 9502 B13R1.158 C[C@@H]1CCCC[C@@H]1NCCC(=O)O aa133be24944da604da62c85d412fe79 [0,1,0,1,0,0|0,0,2]=4 9503 B13R1.158 C[C@@H]1CCCC[C@@H]1OCCC(=O)O 14aa046483f5020094adf032aad1e2fe [0,1,0,1,0,0|0,0,2]=4 9504 B13R1.158 C[C@@H]1CCCC[C@H]1NCCC(=O)O 15f110f00686dd7c1335531873944da7 [0,1,0,1,0,0|0,0,2]=4 9505 B13R1.158 C[C@H]1CCCC[C@@H]1NCCC(=O)O 06def0c103161c5828f1687f2b71a4ac [0,1,0,1,0,0|0,0,2]=4 9506 B13R1.158 C[C@H]1CCCC[C@@H]1OCCC(=O)O 684a9187d1a4b0b817532ec3cc0b62c7 [0,1,0,1,0,0|0,0,2]=4 9507 B13R1.158 C[C@H]1CCCC[C@H]1NCCC(=O)O b6e976e37238028790257ea61d8508e4 [0,1,0,1,0,0|0,0,2]=4 9508 B13R1.158 C[C@H]1CCCC[C@H]1OCCC(=O)O fc7e2c2d95253e955ab98ea49ac717f7 [0,1,0,1,0,0|0,0,2]=4 9509 B13R1.158 NC(=O)CCNC1CCCCC1=O 93d4be03c8bac88132faff4d4650078a [0,1,0,1,0,0|2,0,0]=4 9510 B13R1.158 NC(=O)CCOC1CCCC=C1Br f1882e060a8c44fe6c3e9edc7bdd9ec2 [0,1,0,1,0,0|2,0,0]=4 9511 B13R1.158 NC(=O)CCOC1CCCCC1=O d4a9df8e9bdebf5c177c11719c09d176 [0,1,0,1,0,0|2,0,0]=4 9512 B13R1.158 NC(=O)COCC1CCCCC1=O 8d55d7d1f378db268f0ba630072a102d [0,1,0,1,0,0|2,0,0]=4 9513 B13R1.158 O=C(O)CCNC1CCCCC1F 2ee3501a4969ee8458cccbdb0b3720fa [0,1,0,1,0,0|1,0,1]=4 9514 B13R1.158 O=C(O)CCNC1CCCCC1O 137f42562a74b7d1a1e7730591773b56 [0,1,0,1,0,0|1,0,1]=4 9515 B13R1.158 O=C(O)CCNC1CCCNC1=O 3eb3f74ba77fd7e599bb1254939fc6df [0,1,0,1,0,0|2,0,0]=4 9516 B13R1.158 O=C(O)CCNC1SCCCC1=O a8343eea798ad27837b4c0ead8c5d6e5 [0,1,0,1,0,0|2,0,0]=4 9517 B13R1.158 O=C(O)CCN[C@@H]1CCCC[C@H]1O c1881e9c8d64ff6a50d8f8d17ef3c192 [0,1,0,1,0,0|1,0,1]=4 9518 B13R1.158 O=C(O)CCN[C@@H]1CCCNC1=O 713faa068e37085a1c6d7dbbccb1e988 [0,1,0,1,0,0|2,0,0]=4 9519 B13R1.158 O=C(O)CCN[C@H]1CCCC[C@@H]1O f752ab52ae6f5c54f3085856e258397b [0,1,0,1,0,0|1,0,1]=4 9520 B13R1.158 O=C(O)CCN[C@H]1CCCC[C@H]1O c1b83dcbb619cd421892efc6e0714604 [0,1,0,1,0,0|1,0,1]=4 9521 B13R1.158 O=C(O)CCN[C@H]1CCCNC1=O bb5c3d7b3dc4f8af644ba8b3db693834 [0,1,0,1,0,0|2,0,0]=4 9522 B13R1.158 O=C(O)CCOC1CCCCC1F 1be445ea0facfbad12f91a3a5e2b224a [0,1,0,1,0,0|1,0,1]=4 9523 B13R1.158 O=C(O)CCOC1CCCNC1=O b30935adc28a96407c498962a70aac0f [0,1,0,1,0,0|2,0,0]=4 9524 B13R1.158 O=C(O)CCOC1CCCOC1=O d3e582e19f4d5cc4b384441acd8925fc [0,1,0,1,0,0|2,0,0]=4 9525 B13R1.158 O=C(O)CCOC1SCCCC1=O e3da40df71ed46ea5e5157835b6352fb [0,1,0,1,0,0|2,0,0]=4 9526 B13R1.158 O=C(O)CCO[C@@H]1CCCC[C@H]1F 1bddad5d6b442dfe5deb3ce6e3e5b82e [0,1,0,1,0,0|1,0,1]=4 9527 B13R1.158 O=C(O)CCO[C@@H]1CCCNC1=O 7610b8bc67aab0e50a08a17450d46a11 [0,1,0,1,0,0|2,0,0]=4 9528 B13R1.158 O=C(O)CCO[C@H]1CCCNC1=O 029fc26a363ce3bb4e570bf97ba3a1cb [0,1,0,1,0,0|2,0,0]=4 9529 B13R1.158 O=C(O)CNCC1CCCCC1O 8b32aac0db9d4b641f6a976923480ec5 [0,1,0,1,0,0|1,0,1]=4 9530 B13R1.158 O=C(O)COCC1=C(CCCC1)Br 0bcc99cef9eb67c80671598ad3c48fbb [0,1,0,1,0,0|1,0,1]=4 9531 B13R1.158 O=C(O)COCC1CCCCC1=O bd8fff985620b5e2bc60e26ac87cdfa4 [0,1,0,1,0,0|1,0,0]=3 9532 B13R1.158 O=C(O)COCC1CCCNC1=O b066bb30da9b475fc935ed7b9a741f40 [0,1,0,1,0,0|2,0,0]=4 9533 B13R1.245 COC[C@@H]1C[C@@H]1NCCCC(=O)O 894029d373311da82dcca160b1e9b29f [0,1,0,1,0,0|1,0,1]=4 9534 B13R1.245 COC[C@H]1C[C@@H]1NCCCC(=O)O ff76b75d4ae0ee55ae6c676fb7a8eba9 [0,1,0,1,0,0|1,0,1]=4 9535 B13R1.337 C=C(C)CCCNC1C=CCCC1 1219e08d4fec20887c61309d607572cc [0,1,0,1,0,0|2,0,0]=4 9536 B13R1.337 C=C(C)CCCOC1C=CCCC1 0d4d98d8362b4cc9e9d9244672fa785c [0,1,0,1,0,0|2,0,0]=4 9537 B13R1.337 CC(=O)CCCCN1CC=CCC1 4bf8ca39357601d1da5d7e2b09cd0b58 [0,1,0,1,0,0|2,0,0]=4 9538 B13R1.337 CC(=O)CCCNC1C=CCCC1 7e694f5dd8bd889f44a997e8858a2eff [0,1,0,1,0,0|1,0,0]=3 9539 B13R1.337 CC(=O)CCCOC1C=CCCC1 1208d4868cb5c3a5b7712c5f0577aa3f [0,1,0,1,0,0|1,0,0]=3 9540 B13R1.337 CC(=O)CCCOC1CC=CCC1 dcb73a4f4296b83416130aea63da7e05 [0,1,0,1,0,0|2,0,0]=4 9541 B13R1.337 CC(=O)CCNCC1CC=CCC1 80aba7a94e73965a97d4d63a36321626 [0,1,0,1,0,0|2,0,0]=4 9542 B13R1.337 CC(=O)CCOCC1CC=CCC1 ec5d55c06ffecde03c1d8c57eb7cc45a [0,1,0,1,0,0|2,0,0]=4 9543 B13R1.337 CC(=O)CCOCC1CCC=CO1 b1523288860573cc15e08220786c027d [0,1,0,1,0,0|2,0,0]=4 9544 B13R1.337 CC(=O)CCOC[C@@H]1CC=CCC1 43a9ff7fc3d8dfb8fbdef363c19f34aa [0,1,0,1,0,0|2,0,0]=4 9545 B13R1.337 CC(=O)CCOC[C@H]1CC=CCC1 e8fc1c63e142949497d4d54034b8d7af [0,1,0,1,0,0|2,0,0]=4 9546 B13R1.337 CC(=O)NCCNC1C=CCCC1 0bff56209d7f36c2e76fa6c30c9e66eb [0,1,0,1,0,0|2,0,0]=4 9547 B13R1.337 CC(=O)NCCOC1C=CCCC1 512b48597f9bff34695257c884c46e63 [0,1,0,1,0,0|2,0,0]=4 9548 B13R1.337 CC(=O)OCCNC1C=CCCC1 260fc3f5ef0186edb094d695cf594388 [0,1,0,1,0,0|2,0,0]=4 9549 B13R1.337 CC(=O)OCCOC1C=CCCC1 11fa25ccc4d2518453a1a7b22dcbc7dc [0,1,0,1,0,0|2,0,0]=4 9550 B13R1.337 CC(=O)SCCNC1C=CCCC1 62e15fb019cf8374f3b1aaa123424cff [0,1,0,1,0,0|2,0,0]=4 9551 B13R1.337 CC(=O)SCCOC1C=CCCC1 bbe59d64fb0d03f3b998b9cd957c9c37 [0,1,0,1,0,0|2,0,0]=4 9552 B13R1.337 CC(O)CCCNC1C=CCCC1 9445f70e95d4f0631de6f3f59eab8fc0 [0,1,0,1,0,0|1,0,1]=4 9553 B13R1.337 CS(=O)CCCNC1C=CCCC1 1a050a96246746a9acc4f67f75243bec [0,1,0,1,0,0|2,0,0]=4 9554 B13R1.337 NC(=O)CCCCN1CC=CCC1 cfacbaf933d4e0b3f78fdd0bcfab366e [0,1,0,1,0,0|2,0,0]=4 9555 B13R1.337 NC(=O)CCCNC1C=CCCC1 a79e613339a0448855e2770f6193ccbe [0,1,0,1,0,0|1,0,0]=3 9556 B13R1.337 NC(=O)CCCOC1C=CCCC1 b5cd978e12a0a2dc28d0e6afbda24471 [0,1,0,1,0,0|1,0,0]=3 9557 B13R1.337 NC(=O)CCCOC1CC=CCC1 e451cc9fe733b7a420207d95eb66bad9 [0,1,0,1,0,0|2,0,0]=4 9558 B13R1.337 NC(=O)CCNCC1CC=CCC1 d94a52f2cf5f997b2620b25499a7a26b [0,1,0,1,0,0|2,0,0]=4 9559 B13R1.337 NC(=O)CCOCC1CC=CCC1 3ef3ac85762166367a5aa0813baf5178 [0,1,0,1,0,0|2,0,0]=4 9560 B13R1.337 NC(=O)CCOCC1CCC=CO1 161ecf1ab4349e220be8e1ef6413b4da [0,1,0,1,0,0|2,0,0]=4 9561 B13R1.337 NC(=O)CCOC[C@@H]1CC=CCC1 68c1cfcc990230a4e15741f84c28b380 [0,1,0,1,0,0|2,0,0]=4 9562 B13R1.337 NC(=O)CCOC[C@H]1CC=CCC1 971c780ca6ed17cd8e2a9248c228b800 [0,1,0,1,0,0|2,0,0]=4 9563 B13R1.337 NC(=O)NCCNC1C=CCCC1 a3cabc7e02bbb597500c355206ad4e5c [0,1,0,1,0,0|2,0,0]=4 9564 B13R1.337 NC(=O)NCCOC1C=CCCC1 2f1408362ec40857f7bd0bcc52c036cc [0,1,0,1,0,0|2,0,0]=4 9565 B13R1.337 O=C(O)/C=C/CNC1C=CCCC1 426cb8accf3aaf12cf8b5105afe3886b [0,1,0,1,0,0|0,0,2]=4 9566 B13R1.337 O=C(O)/C=C/COC1C=CCCC1 c43d1a5eb1f54dfeb557440ff58998e7 [0,1,0,1,0,0|0,0,2]=4 9567 B13R1.337 O=C(O)C#CCNC1C=CCCC1 f4d34017f78b70e4bc6b9de3e1442f33 [0,1,0,1,0,0|0,0,2]=4 9568 B13R1.337 O=C(O)C#CCOC1C=CCCC1 4362c5695634d5bf94807670c25ee6ca [0,1,0,1,0,0|0,0,2]=4 9569 B13R1.337 O=C(O)C=CCNC1C=CCCC1 ea67f11105606764c4ecd9c64bbcb37e [0,1,0,1,0,0|0,0,2]=4 9570 B13R1.337 O=C(O)C=CCOC1C=CCCC1 5220afdef5164d9f7fe8a90e9fce7677 [0,1,0,1,0,0|0,0,2]=4 9571 B13R1.337 O=C(O)CCCCN1CC=CCC1 b0b801cf5f4f097667b4d781ae5875af [0,1,0,1,0,0|1,0,0]=3 9572 B13R1.337 O=C(O)CCCCN1CCCSC1 9b03607e51c3e26d8e037ee1069618cb [0,1,0,1,0,0|1,0,1]=4 9573 B13R1.337 O=C(O)CCCNC1C=CCCC1 f7e7a9cfc626f482735f10adc59c483b [0,1,0,1,0,0|0,0,0]=2 9574 B13R1.337 O=C(O)CCCOC1CCCCC1 6b1e18a305e1bfd92970b29199a53f07 [0,1,0,1,0,0|0,0,2]=4 9575 B13R1.337 O=C(O)CCNCC1CC=CCC1 0e70932118b1b59bcc53a63c17d271c8 [0,1,0,1,0,0|1,0,0]=3 9576 B13R1.337 O=C(O)CCNCC1CCCCC1 fc75ae2f0974c7a29895ed4154af644e [0,1,0,1,0,0|0,0,2]=4 9577 B13R1.337 O=C(O)CCNCC1CCCCO1 d8cc3a1b046d2f632c673fc25fa7b175 [0,1,0,1,0,0|1,0,1]=4 9578 B13R1.337 O=C(O)CCNCC1CCCOC1 02fd2dc864b245b80c5b0b43d3ad4335 [0,1,0,1,0,0|1,0,1]=4 9579 B13R1.337 O=C(O)CCNC[C@@H]1CCCOC1 ab036dae7fbde053726dfe7d1263e15f [0,1,0,1,0,0|1,0,1]=4 9580 B13R1.337 O=C(O)CCNC[C@H]1CCCOC1 2864898cc9243edeaffe33161c404014 [0,1,0,1,0,0|1,0,1]=4 9581 B13R1.337 O=C(O)CCOCC1CC=CCC1 891dfe4ceae63a70d84f93b70aea8300 [0,1,0,1,0,0|1,0,0]=3 9582 B13R1.337 O=C(O)CCOCC1CCC=CO1 54bd89add01e2457c244d1eb1ba944d2 [0,1,0,1,0,0|1,0,0]=3 9583 B13R1.337 O=C(O)CCOCC1CCCCC1 7dce55788e1ee6d5eb1868483f5c473b [0,1,0,1,0,0|0,0,2]=4 9584 B13R1.337 O=C(O)CCOCC1CCCCO1 233083c7b2fe9f47e6ac38ecba5cddf5 [0,1,0,1,0,0|1,0,1]=4 9585 B13R1.337 O=C(O)CCOCC1CCCOC1 91d966c921cf18cfffc49a61ff185373 [0,1,0,1,0,0|1,0,1]=4 9586 B13R1.337 O=C(O)CCOC[C@@H]1CC=CCC1 b13e461fe98857f61d7c0241cafe052d [0,1,0,1,0,0|1,0,0]=3 9587 B13R1.337 O=C(O)CCOC[C@@H]1CCCCO1 20c04f936ab69963787601ec105942bf [0,1,0,1,0,0|1,0,1]=4 9588 B13R1.337 O=C(O)CCOC[C@@H]1CCCOC1 6594edd1670355956b16d72dd7ff5288 [0,1,0,1,0,0|1,0,1]=4 9589 B13R1.337 O=C(O)CCOC[C@H]1CC=CCC1 98852d52117d3cc7a526691f94529cc5 [0,1,0,1,0,0|1,0,0]=3 9590 B13R1.337 O=C(O)CCOC[C@H]1CCCCO1 3cea95a7b27d5d81b47f2699d7da1fb8 [0,1,0,1,0,0|1,0,1]=4 9591 B13R1.337 O=C(O)CCOC[C@H]1CCCOC1 d45e6e3ff8e6657017edb6bce5285ef5 [0,1,0,1,0,0|1,0,1]=4 9592 B13R1.337 O=C(O)CNCCC1=CCCCC1 00f5350ae08f460bfe33a3cbd13851fd [0,1,0,1,0,0|0,0,2]=4 9593 B13R1.337 O=C(O)CNCCC1CCCCC1 a22a934692edc7345f5e072a8623c5a6 [0,1,0,1,0,0|0,0,2]=4 9594 B13R1.337 O=C(O)CNCCC1CCCCO1 dc6af52c97b937394dfaf09ee2fb41ee [0,1,0,1,0,0|1,0,1]=4 9595 B13R1.337 O=C(O)CNCCC1CCCOC1 6f69ce6014f10f18303819ffb0d9551f [0,1,0,1,0,0|1,0,1]=4 9596 B13R1.337 O=C(O)COCCC1CCCCC1 42fb277ba160c66dc1d0322e91d18d3c [0,1,0,1,0,0|0,0,2]=4 9597 B13R1.337 O=C(O)COCCC1CCCCO1 8217ba50ebf61f29b984b15e82ebf80d [0,1,0,1,0,0|1,0,1]=4 9598 B13R1.337 O=C(O)COCCC1CCCOC1 93e9531104decd9c18472249a345daf2 [0,1,0,1,0,0|1,0,1]=4 9599 B13R1.337 O=C(O)COCCN1CC=CCC1 0e9dc5c8acfef49b25d5a3f803601957 [0,1,0,1,0,0|2,0,0]=4 9600 B13R1.337 O=S(O)CCNCC1CC=CCC1 5e9bd22ea510236c0bb76fad4b88b452 [0,1,0,1,0,0|2,0,0]=4 9601 B13R1.337 O=[N+]([O-])CCCNC1C=CCCC1 c6a80bc68ddaae9311f35c328511d59b [0,1,0,1,0,0|1,0,1]=4 9602 B13R1.337 O=[N+]([O-])CCCOC1C=CCCC1 d09c5754e00c9369a1f3da0d4340a2a4 [0,1,0,1,0,0|1,0,1]=4 9603 B13R1.491 C=CCCN1CC(C1)OCC(=O)O 27a3f60568effeec5e8fb6f577b6915a [0,1,0,1,0,0|2,0,0]=4 9604 B13R1.568 C=CCCN1CCCC(C1)C(=O)C 4963da952ff875b10c41086414c0552e [0,1,0,1,0,0|2,0,0]=4 9605 B13R1.568 C=CCCN1CCCC(C1)C(=O)N 90a3f6be1f248c36044d1ca9cded930e [0,1,0,1,0,0|2,0,0]=4 9606 B13R1.568 C=CCCN1CCCC(C1)C(=O)O 54a0f4712bb152c80e0b58f09c56facd [0,1,0,1,0,0|1,0,0]=3 9607 B13R1.568 C=CCCN1CCC[C@@H](C1)C(=O)N fcb6667bc8d985be8009d55a12fde589 [0,1,0,1,0,0|2,0,0]=4 9608 B13R1.568 C=CCCN1CCC[C@@H](C1)C(=O)O 6ba41e7c8cf247f33149705cbc4f9430 [0,1,0,1,0,0|1,0,0]=3 9609 B13R1.568 C=CCCN1CCC[C@H](C1)C(=O)N da09999ac5a18bc080155c6223ba426d [0,1,0,1,0,0|2,0,0]=4 9610 B13R1.568 C=CCCN1CCC[C@H](C1)C(=O)O 23ec5226033aab3a27bbd7a1c53ca64b [0,1,0,1,0,0|1,0,0]=3 9611 B13R1.568 C=CCCN1CCOC(C1)C(=O)O d25fa3a919fc3c8f24c3231627727146 [0,1,0,1,0,0|2,0,0]=4 9612 B13R1.568 C=CCCN1CCO[C@@H](C1)C(=O)O b9aae805675103f6dab9340b911c5cae [0,1,0,1,0,0|2,0,0]=4 9613 B13R1.568 C=CCCN1CCO[C@H](C1)C(=O)O 59001825dc67ba6b328e27d2ce570a52 [0,1,0,1,0,0|2,0,0]=4 9614 B13R1.568 C=CCCN1CCSC(C1)C(=O)O b5d013bb51c68570c5de0674d9840da0 [0,1,0,1,0,0|2,0,0]=4 9615 B13R1.568 C=CCNC1CCCC(C1)C(=O)N 793a6301bf9256e8b877f17f163046c4 [0,1,0,1,0,0|2,0,0]=4 9616 B13R1.568 C=CCNC1CCCC(C1)C(=O)O 0a84148b8d85fe2452ce8e5cef6030cf [0,1,0,1,0,0|1,0,0]=3 9617 B13R1.568 C=CCN[C@@H]1CCC[C@@H](C1)C(=O)N 12fc601fd50cd01327d9405d7d79b30c [0,1,0,1,0,0|2,0,0]=4 9618 B13R1.568 C=CCN[C@@H]1CCC[C@@H](C1)C(=O)O 6f00fe4e0ca5cbbcd14786ce905b9906 [0,1,0,1,0,0|1,0,0]=3 9619 B13R1.568 C=CCN[C@@H]1CCC[C@H](C1)C(=O)N 60545ce465d6db7d0facbb25da0d1dc9 [0,1,0,1,0,0|2,0,0]=4 9620 B13R1.568 C=CCN[C@@H]1CCC[C@H](C1)C(=O)O b930582083b68d6a3fbbeb64ca5de39d [0,1,0,1,0,0|1,0,0]=3 9621 B13R1.568 C=CCN[C@H]1CCC[C@@H](C1)C(=O)N 15f172b16a06666e2e21d8bb35542d4d [0,1,0,1,0,0|2,0,0]=4 9622 B13R1.568 C=CCN[C@H]1CCC[C@@H](C1)C(=O)O e990450ffdef64f065cd9e1645d7e255 [0,1,0,1,0,0|1,0,0]=3 9623 B13R1.568 C=CCN[C@H]1CCC[C@H](C1)C(=O)N 99e766434ba6483140fba70c46b8c23f [0,1,0,1,0,0|2,0,0]=4 9624 B13R1.568 C=CCN[C@H]1CCC[C@H](C1)C(=O)O 3495b1b9ffff6e96108c96d327ef6483 [0,1,0,1,0,0|1,0,0]=3 9625 B13R1.568 C=CCOC1C=C(CCC1)C(=O)O c0cef5bd0a27cadac041b3ff92d2f05f [0,1,0,1,0,0|1,0,1]=4 9626 B13R1.568 C=CCOC1CCCC(C1)C(=O)O 3de21e3b0a1c98976ba29ce80025f8e4 [0,1,0,1,0,0|1,0,0]=3 9627 B13R1.568 C=CCO[C@@H]1CCC[C@@H](C1)C(=O)O ba831f7a5c5dbbccb8f985b67bbd37d9 [0,1,0,1,0,0|1,0,0]=3 9628 B13R1.568 C=CCO[C@@H]1CCC[C@H](C1)C(=O)O 68ad5dae9e0c54d0241fbd6a7644396d [0,1,0,1,0,0|1,0,0]=3 9629 B13R1.568 C=CCO[C@H]1CCC[C@@H](C1)C(=O)O 68faf72a0be948acba9c30f224fbf816 [0,1,0,1,0,0|1,0,0]=3 9630 B13R1.568 C=CCO[C@H]1CCC[C@H](C1)C(=O)O 779de1cd5aa58dd590762222ded56102 [0,1,0,1,0,0|1,0,0]=3 9631 B13R1.568 O=CCCN1CCCC(C1)C(=O)O 06e856c683d96a702a73fbf191b62d58 [0,1,0,1,0,0|2,0,0]=4 9632 B13R1.568 O=CCCN1CCC[C@@H](C1)C(=O)O 330d60d643d8e593da4fc360fe4aa0a5 [0,1,0,1,0,0|2,0,0]=4 9633 B13R1.568 O=CCCN1CCC[C@H](C1)C(=O)O d65b904790c81687aaab293e413fcdb0 [0,1,0,1,0,0|2,0,0]=4 9634 B13R1.568 O=CCNC1CCCC(C1)C(=O)O 98dddf184bb23fd9e6fe2213fa159a0d [0,1,0,1,0,0|2,0,0]=4 9635 B13R1.568 O=CCN[C@@H]1CCC[C@@H](C1)C(=O)O c9a1618e7c8b72fb9272469c3ccd4f9c [0,1,0,1,0,0|2,0,0]=4 9636 B13R1.568 O=CCN[C@@H]1CCC[C@H](C1)C(=O)O 61706fd4a04b37cdaa3435b9332248f2 [0,1,0,1,0,0|2,0,0]=4 9637 B13R1.568 O=CCN[C@H]1CCC[C@@H](C1)C(=O)O f1c677fc8b4bcf15a1199b13eaa236b6 [0,1,0,1,0,0|2,0,0]=4 9638 B13R1.568 O=CCN[C@H]1CCC[C@H](C1)C(=O)O 72898cec1c8edaf8d8a2f4c93a40eaac [0,1,0,1,0,0|2,0,0]=4 9639 B13R1.568 O=CCOC1CCCC(C1)C(=O)O 67db00bec8af4bc2eb700fb09ce3b2be [0,1,0,1,0,0|2,0,0]=4 9640 B13R1.568 O=CCO[C@@H]1CCC[C@@H](C1)C(=O)O 6a222db61e864f6fd040a5ba893f1494 [0,1,0,1,0,0|2,0,0]=4 9641 B13R1.568 O=CCO[C@@H]1CCC[C@H](C1)C(=O)O 21d4b7c41287bda9b4694af87e822b60 [0,1,0,1,0,0|2,0,0]=4 9642 B13R1.568 O=CCO[C@H]1CCC[C@@H](C1)C(=O)O 845529daa0238a3bb4bb8e8e3d23f655 [0,1,0,1,0,0|2,0,0]=4 9643 B13R1.568 O=CCO[C@H]1CCC[C@H](C1)C(=O)O 908b8593f1d11dee338322f1168ea2c3 [0,1,0,1,0,0|2,0,0]=4 9644 B13R1.637 O=CC1CC(C1)CNCCC(=O)O cce5155f48f4ef108b275e7e294eae05 [0,1,0,1,0,0|2,0,0]=4 9645 B13R1.637 O=CC1CC(C1)COCCC(=O)O cc52d4ec7127ef60bede403ea9376a1a [0,1,0,1,0,0|2,0,0]=4 9646 B13R1.678 C=CCCC(C)OCC1CC(=O)C1 bea45bc1fb7ded96fada99fae04980de [0,1,0,1,0,0|2,0,0]=4 9647 B13R1.678 C=CCCC(C)OCC1CC(=O)N1 e71c27dc8c8ef081fbdc0755a1ae7fe3 [0,1,0,1,0,0|2,0,0]=4 9648 B13R1.678 C=CCCC(C)OCC1CC(=O)O1 f917e3e96369c00f414ef46c72e76076 [0,1,0,1,0,0|1,0,0]=3 9649 B13R1.678 C=CCCC(C)OC[C@@H]1CC(=O)N1 5af62a4b40319280bb71d5dd2fa9326e [0,1,0,1,0,0|2,0,0]=4 9650 B13R1.678 C=CCCC(C)OC[C@H]1CC(=O)N1 c85c214b728ecea73cfc5d5dfb082fec [0,1,0,1,0,0|2,0,0]=4 9651 B13R1.678 C=CCCC(O)CNC1CC(=O)C1 f2d0d01a415952a24727b36ffa6271e1 [0,1,0,1,0,0|2,0,0]=4 9652 B13R1.678 C=CCC[C@@H](C)OCC1CC(=O)C1 59d41359d895be5b8660a5e9ed169ad5 [0,1,0,1,0,0|2,0,0]=4 9653 B13R1.678 C=CCC[C@@H](C)OCC1CC(=O)N1 85f15945a9eff2c95a81a3697d7d712f [0,1,0,1,0,0|2,0,0]=4 9654 B13R1.678 C=CCC[C@@H](C)OCC1CC(=O)O1 b8afbf81b2d737b68c7c59f024dc3f66 [0,1,0,1,0,0|1,0,0]=3 9655 B13R1.1932 C=CCN[C@@]1(CCC[C@@H]1C(=O)O)C 6f6449d631836f76ea5cbdef7e8a57c6 [0,1,0,1,0,0|1,0,0]=3 9656 B13R1.1932 C[C@]1(CCC[C@@H]1C(=O)O)NCC=O eee303c7a95a3c6d784f792211322ff3 [0,1,0,1,0,0|2,0,0]=4 9657 B13R1.2510 C=CCCC(C)N1CCC1C(=O)N 8470cfc5138d539fce8a06c2e9ce67a3 [0,1,0,1,0,0|2,0,0]=4 9658 B13R1.2510 C=CCCC(C)N1CCC1C(=O)O c383c2edc58b605aa7d539b6158972ea [0,1,0,1,0,0|1,0,0]=3 9659 B13R1.2510 C=CCCC(C)N1CC[C@@H]1C(=O)N 29f2d3d98865984bbf038022cf1a38b8 [0,1,0,1,0,0|2,0,0]=4 9660 B13R1.2510 C=CCCC(C)N1CC[C@@H]1C(=O)O 140d1debcb09cea044190af76a54e0a8 [0,1,0,1,0,0|1,0,0]=3 9661 B13R1.2510 C=CCCC(C)N1CC[C@H]1C(=O)N c3d2d938d5fd4a9c64791ffefda1ccc9 [0,1,0,1,0,0|2,0,0]=4 9662 B13R1.2510 C=CCCC(C)N1CC[C@H]1C(=O)O d2796f0e1bd9b1a6c5aea15fb4a0639d [0,1,0,1,0,0|1,0,0]=3 9663 B13R1.2544 C=CCCC(C)O[C@@H]1C[C@@H]1C(=O)O aed8b692009a28a6cf00d37cd76645ce [0,1,0,1,0,0|1,0,0]=3 9664 B13R1.2544 C=CCCC(C)O[C@H]1C[C@@H]1C(=O)O b253f8e38b31e4d15a5dc2a48f7964a3 [0,1,0,1,0,0|1,0,0]=3 9665 B13R1.2544 C=CCCC(C)O[C@H]1C[C@H]1C(=O)O d3cab8f454b5ff856b027b72d3e1ff5e [0,1,0,1,0,0|1,0,0]=3 9666 B13R1.2544 C=CCCN(C)CC1CC1C(=O)O 5baacc48e1b2beaaec22c25cc24e0c69 [0,1,0,1,0,0|1,0,0]=3 9667 B13R1.2544 C=CCCN(C)C[C@@H]1C[C@H]1C(=O)O b261960eb77f6fdc7aeb85d534879fe7 [0,1,0,1,0,0|1,0,0]=3 9668 B13R1.2544 C=CCC[C@@H](C)O[C@@H]1C[C@@H]1C(=O)O 945a4ee891e7c6208f202504b0987aa7 [0,1,0,1,0,0|1,0,0]=3 9669 B13R1.2544 C=CCC[C@@H](C)O[C@H]1C[C@@H]1C(=O)O 7a6af620ee6c6171a582d31b30263457 [0,1,0,1,0,0|1,0,0]=3 9670 B13R1.2544 C=CCC[C@@H](C)O[C@H]1C[C@H]1C(=O)O fcdb2366b794d5018e63b4490d92de00 [0,1,0,1,0,0|1,0,0]=3 9671 B13R1.4012 C=CCN1C(CCCC1C(=O)O)C 422bc51c78e39313511e067ed381844a [0,1,0,1,0,0|1,0,0]=3 9672 B13R1.4012 CC1CCCC(N1CC=O)C(=O)O 2c26f8f98a5023d8ea451e9c2a90ada9 [0,1,0,1,0,0|2,0,0]=4 9673 B13R1.286 C=C1CC1COCCCS(=O)(=O)O e5f85c394a4a5e3e30409c37ff1894ba [0,1,0,1,0,0|2,0,0]=4 9674 B13R1.2904 O=S(=O)(O)CCCOC1C=CCC1 ad91cf5b8f4c0b85c7d11fa5007eb914 [0,1,0,1,0,0|2,0,0]=4 9675 B13R1.2904 O=S(=O)(O)CCOCC1C=CCC1 e1787b3318aba673b8bf1cb0b8fcb14e [0,1,0,1,0,0|2,0,0]=4 9676 B13R1.3523 O=S(=O)(O)CCNC1C=CCCC1 0388cf770a0224b3d996c0e456e16d0e [0,1,0,1,0,0|2,0,0]=4 9677 B13R1.3523 O=S(=O)(O)CCOC1C=CCCC1 dc41df892c2e4ebaf2c6f87ea828094c [0,1,0,1,0,0|2,0,0]=4 9678 B13R1.15 C=CC(C)COC1CCCC(=O)C1 2eea2861ff9263894b9b412974e5d931 [0,1,0,1,0,0|2,0,0]=4 9679 B13R1.15 C=CC(C)NCC1CCCC(=O)N1 bce07882c0df12c27e00f83e8d3897a8 [0,1,0,1,0,0|2,0,0]=4 9680 B13R1.15 C=CC(C)OCC1CCCC(=O)C1 2d801615c2bf3c5f01191a5db08d1a13 [0,1,0,1,0,0|2,0,0]=4 9681 B13R1.15 C=CC(C)OCC1CCCC(=O)N1 31056ebeb54cd0d7c347709ef955a434 [0,1,0,1,0,0|2,0,0]=4 9682 B13R1.15 C=CC(C)OC[C@@H]1CCCC(=O)N1 bd7e008d066fec99ccbffb398e527c01 [0,1,0,1,0,0|2,0,0]=4 9683 B13R1.15 C=CC(C)OC[C@H]1CCCC(=O)N1 bccdfcbd4ca667528fd2462ca08d938e [0,1,0,1,0,0|2,0,0]=4 9684 B13R1.15 C=CC(O)CNC1CCCC(=O)C1 d291bf22dc111d94f19ce19bb631a30c [0,1,0,1,0,0|2,0,0]=4 9685 B13R1.60 C=CC1CCN(C1)CCCC(=O)C 6a75c203a94bc0b8c7e554d77b827b11 [0,1,0,1,0,0|2,0,0]=4 9686 B13R1.60 C=CC1CCN(C1)CCCC(=O)N a579083d0175b86d779480da0b49403f [0,1,0,1,0,0|2,0,0]=4 9687 B13R1.60 C=CC1CCN(C1)CCCC(=O)O a55dc833f6fc797219d71d2fd0bb6e1c [0,1,0,1,0,0|1,0,0]=3 9688 B13R1.198 C=C1CC1COCCCCC(=O)C a6d21272fa059846aa2833b27749da71 [0,1,0,1,0,0|1,0,0]=3 9689 B13R1.198 C=C1CC1COCCCCC(=O)N be9cb8c97f5fb4fcf02ac816eef92a37 [0,1,0,1,0,0|1,0,0]=3 9690 B13R1.198 C=C1CC1COCCCCC(=O)O acfa971e29148ddb4a560d45973911c3 [0,1,0,1,0,0|0,0,0]=2 9691 B13R1.198 C=C1CC1COCCCNC(=O)C 49878bf8678c6e024f7ee26437477c4f [0,1,0,1,0,0|2,0,0]=4 9692 B13R1.198 C=C1CC1COCCCOC(=O)C 54be80076ada89175ea9ded7cfa735c5 [0,1,0,1,0,0|2,0,0]=4 9693 B13R1.198 C=C1CC1COCCCSC(=O)C 4c237da278c47f8bb87314c399509b36 [0,1,0,1,0,0|2,0,0]=4 9694 B13R1.198 C=C1CC1COCCOCC(=O)N 51ae184ccb1308001a10da1b5ed11176 [0,1,0,1,0,0|2,0,0]=4 9695 B13R1.198 C=C1CC1COCCOCC(=O)O 41e314258f93a2598f40d291c56c95bf [0,1,0,1,0,0|1,0,0]=3 9696 B13R1.198 CC1CC1COCCCCC(=O)O 82025db2fdf03cce4d6c7488f51ace4d [0,1,0,1,0,0|0,0,2]=4 9697 B13R1.198 CC1CC1NCCCCCC(=O)O a9fdf29bedcc401bde731fad563d057d [0,1,0,1,0,0|0,0,2]=4 9698 B13R1.198 C[C@@H]1C[C@H]1COCCCCC(=O)O 6fc3f08065a56ed699c253dfa653beed [0,1,0,1,0,0|0,0,2]=4 9699 B13R1.198 C[C@H]1C[C@@H]1COCCCCC(=O)O ae7c4f29b6068fe5386ad5040f091a18 [0,1,0,1,0,0|0,0,2]=4 9700 B13R1.198 C[C@H]1C[C@H]1COCCCCC(=O)O 74b26c82add38a59e96127b321bd16a6 [0,1,0,1,0,0|0,0,2]=4 9701 B13R1.198 O=C(O)CCCCCN[C@@H]1C[C@H]1F 90d42030e4534c38877d58178cde1a1f [0,1,0,1,0,0|1,0,1]=4 9702 B13R1.198 O=C(O)CCCCCN[C@H]1C[C@@H]1F 029580a20a73403613b71fc38ceb8016 [0,1,0,1,0,0|1,0,1]=4 9703 B13R1.198 O=C(O)CCCCCN[C@H]1C[C@H]1F 30479ffca5371f53bbaa92c4f484c1a5 [0,1,0,1,0,0|1,0,1]=4 9704 B13R1.198 O=C(O)CCCCOC[C@@H]1C[C@@H]1F e83831eed030ff23ccbd3a0e8b9cacb0 [0,1,0,1,0,0|1,0,1]=4 9705 B13R1.198 O=C(O)CCCCOC[C@@H]1C[C@H]1F 08db806bddefbec4832285c4ba6ef9b0 [0,1,0,1,0,0|1,0,1]=4 9706 B13R1.198 O=C(O)CCCCOC[C@H]1C[C@@H]1F d53a02fc51ad80aa13f5366e8928ca99 [0,1,0,1,0,0|1,0,1]=4 9707 B13R1.198 O=C(O)CCCCOC[C@H]1C[C@H]1F 6ec12df3048e453aabf852aac3dda7a2 [0,1,0,1,0,0|1,0,1]=4 9708 B13R1.297 CC(=O)CCCCOC1CCC1=O 331d74387d89531b80c922528d7185a5 [0,1,0,1,0,0|2,0,0]=4 9709 B13R1.297 CC(=O)CCCOCC1CCC1=O 2352f4babe94fc21edf61c2717e3062c [0,1,0,1,0,0|2,0,0]=4 9710 B13R1.297 CC(=O)CCOCCC1CCC1=O 16f54eb7b602fa303e70045307c2430d [0,1,0,1,0,0|2,0,0]=4 9711 B13R1.297 CN1CCC1CNCCCC(=O)O b6f74d833484d54248fe825c5dc10384 [0,1,0,1,0,0|1,0,1]=4 9712 B13R1.297 C[C@@H]1CC[C@@H]1NCCCCC(=O)O 21154fd80bbefdce333f5bd45933acc0 [0,1,0,1,0,0|0,0,2]=4 9713 B13R1.297 C[C@@H]1CC[C@H]1NCCCCC(=O)O 37845ef947b63f6143c6acceb288e7c2 [0,1,0,1,0,0|0,0,2]=4 9714 B13R1.297 NC(=O)CCCOCC1CCC1=O ebb9053863f0f7e7e3f21139b3f7f4f3 [0,1,0,1,0,0|2,0,0]=4 9715 B13R1.297 NC(=O)CCNCCC1CCC1=O 5e614ee36cdd5bf0699fddbef3559827 [0,1,0,1,0,0|2,0,0]=4 9716 B13R1.297 NC(=O)CCOCCC1CCC1=O ad2541d296d0079209a8671df9fa958f [0,1,0,1,0,0|2,0,0]=4 9717 B13R1.297 O=C(O)CCCCNC1CCC1F a98c66aa651e78c634f40190c34d31ee [0,1,0,1,0,0|1,0,1]=4 9718 B13R1.297 O=C(O)CCCCNC1CCC1O 91e17ff3f8710531d0c0e70cf5a35a54 [0,1,0,1,0,0|1,0,1]=4 9719 B13R1.297 O=C(O)CCCCN[C@@H]1CC[C@@H]1O 0a346295dbd76884ee5444bdd62f4052 [0,1,0,1,0,0|1,0,1]=4 9720 B13R1.297 O=C(O)CCCCN[C@@H]1CC[C@H]1O 1b7aac4675c27511d33c94d9be97554d [0,1,0,1,0,0|1,0,1]=4 9721 B13R1.297 O=C(O)CCCCN[C@H]1CC[C@@H]1O 77c4f7d2d97ce5b865ae21e5f19a6e9a [0,1,0,1,0,0|1,0,1]=4 9722 B13R1.297 O=C(O)CCCCN[C@H]1CC[C@H]1O 21996541d725543bd08f8c167cddf26a [0,1,0,1,0,0|1,0,1]=4 9723 B13R1.297 O=C(O)CCCCN[C@H]1CNC1=O 09a77227b04696fbc4fd3b949cd8bfd6 [0,1,0,1,0,0|2,0,0]=4 9724 B13R1.297 O=C(O)CCCNCC1COC1=O 347d7bd5b3285daa26ff6b742f87956a [0,1,0,1,0,0|2,0,0]=4 9725 B13R1.297 O=C(O)CCCOCC1CCC1=O 3f6185b8b525262169a2ed378b4a1f6d [0,1,0,1,0,0|1,0,0]=3 9726 B13R1.297 O=C(O)CCCOCC1CCC1F f2527dc60d371ab0a7955aaca80603f1 [0,1,0,1,0,0|1,0,1]=4 9727 B13R1.297 O=C(O)CCNCCC1CCC1=O 7f49fa38440599815c5fce4254ae88ce [0,1,0,1,0,0|1,0,0]=3 9728 B13R1.297 O=C(O)CCOCCC1CCC1=O c720dcf8db6a97ecd45bcf1b4d3fc335 [0,1,0,1,0,0|1,0,0]=3 9729 B13R1.297 O=C(O)COCCOC1CCC1=O 353d72bfe7cdf1d84b76d643d9802a58 [0,1,0,1,0,0|2,0,0]=4 9730 B13R1.297 O=C1CCC1CCNCCS(=O)O c8287171b7d427da4c5af188e0962de7 [0,1,0,1,0,0|2,0,0]=4 9731 B13R1.538 C=C1CC1COCCCC(=O)NC 3a5ccf06ad845936164dd1b599aecef7 [0,1,0,1,0,0|2,0,0]=4 9732 B13R1.538 C=C1CC1COCCCC(=O)OC b5ab5c2d8805223fe8d965bcdd70c547 [0,1,0,1,0,0|1,0,0]=3 9733 B13R1.538 C=CC(=O)CCCOCC1CC1=C ab834b96403e62f7163cdb750587d2c4 [0,1,0,1,0,0|2,0,0]=4 9734 B13R1.547 C=CC(C)N1CCCCC1C(=O)C 1cfcfbb27dd961346b08a76b8deea74a [0,1,0,1,0,0|2,0,0]=4 9735 B13R1.547 C=CC(C)N1CCCCC1C(=O)N bdaeccd2610cf3a50d929c6956b82f0e [0,1,0,1,0,0|2,0,0]=4 9736 B13R1.547 C=CC(C)N1CCCCC1C(=O)O b7a9a4c401d1577532bb368f143b4a32 [0,1,0,1,0,0|1,0,0]=3 9737 B13R1.547 C=CC(C)N1CCCC[C@@H]1C(=O)N 2b719f47a2c2fe11de1a81bfba7a411a [0,1,0,1,0,0|2,0,0]=4 9738 B13R1.547 C=CC(C)N1CCCC[C@@H]1C(=O)O 7d83fa1f8ac38b65b986d6127b008d45 [0,1,0,1,0,0|1,0,0]=3 9739 B13R1.547 C=CC(C)N1CCCC[C@H]1C(=O)N 62f4732558ae0d7f21a0998ea8dc09cd [0,1,0,1,0,0|2,0,0]=4 9740 B13R1.547 C=CC(C)N1CCCC[C@H]1C(=O)O 302dd810c559a28e3b9da0e5a88faa41 [0,1,0,1,0,0|1,0,0]=3 9741 B13R1.547 C=CC(C)N1CCCSC1C(=O)O dcb54fe99653079df075ff7b88bc2462 [0,1,0,1,0,0|2,0,0]=4 9742 B13R1.547 C=CC(C)N1CCOCC1C(=O)O 873d0ad32747a2f4da1439e963522c23 [0,1,0,1,0,0|2,0,0]=4 9743 B13R1.547 C=CC(C)N1CCOC[C@@H]1C(=O)O 824519cdb7f4420f12d4c53a4058498d [0,1,0,1,0,0|2,0,0]=4 9744 B13R1.547 C=CC(C)N1CCOC[C@H]1C(=O)O 6c5eff249f9481452c6e8d6e6afecb2c [0,1,0,1,0,0|2,0,0]=4 9745 B13R1.547 C=CC(C)N1CCSCC1C(=O)O e4c33f73ab1639ea23fe58d329aae826 [0,1,0,1,0,0|2,0,0]=4 9746 B13R1.547 C=CC(C)N1CCSC[C@@H]1C(=O)O 7ffe032e4c7b9378558178774a621fe9 [0,1,0,1,0,0|2,0,0]=4 9747 B13R1.547 C=CC(C)N1CCSC[C@H]1C(=O)O 8049d9abc1d9059b20a6b1bc713a9aaa [0,1,0,1,0,0|2,0,0]=4 9748 B13R1.547 CC(C=O)N1CCCCC1C(=O)O dcba7d6aa62292b388aa1387f096d484 [0,1,0,1,0,0|2,0,0]=4 9749 B13R1.547 CC(C=O)N1CCCC[C@@H]1C(=O)O 6f536cc32563c87ed7f0f261ba766f41 [0,1,0,1,0,0|2,0,0]=4 9750 B13R1.547 CC(C=O)N1CCCC[C@H]1C(=O)O 21d68c2f8f1b871aa46dffe1db97357c [0,1,0,1,0,0|2,0,0]=4 9751 B13R1.547 C[C@H](C=O)N1CCCCC1C(=O)O 9022c237b80dc98df21a20860c7799e1 [0,1,0,1,0,0|2,0,0]=4 9752 B13R1.547 C[C@H](C=O)N1CCCC[C@@H]1C(=O)O aa4fb69701560d1e555c4c75e5be599d [0,1,0,1,0,0|2,0,0]=4 9753 B13R1.547 C[C@H](C=O)N1CCCC[C@H]1C(=O)O e5778dc18af6271fff5711d19dacee12 [0,1,0,1,0,0|2,0,0]=4 9754 B13R1.551 C=CC(C)N1CCCC1CC(=O)O f540f387e13f2a6b1562070bfe401f19 [0,1,0,1,0,0|1,0,0]=3 9755 B13R1.551 C=CC(C)N1CCC[C@@H]1CC(=O)O 17221ee50487d5abd6ce2e16c3864529 [0,1,0,1,0,0|1,0,0]=3 9756 B13R1.551 C=CC(C)N1CCC[C@H]1CC(=O)O f32098f7bb767bc3b8e26e871b9a54b4 [0,1,0,1,0,0|1,0,0]=3 9757 B13R1.551 CC(C=O)N1CCCC1CC(=O)O e98600754488922365f0ff97ec54ec20 [0,1,0,1,0,0|2,0,0]=4 9758 B13R1.551 CC(C=O)N1CCC[C@@H]1CC(=O)O 54867bc923cdbff464915fb2a4d54caa [0,1,0,1,0,0|2,0,0]=4 9759 B13R1.551 CC(C=O)N1CCC[C@H]1CC(=O)O f582946afb53f5bd616d30bbc3ae60f9 [0,1,0,1,0,0|2,0,0]=4 9760 B13R1.551 C[C@H](C=O)N1CCCC1CC(=O)O 4aef2ae90a842329fa34dce56d3be055 [0,1,0,1,0,0|2,0,0]=4 9761 B13R1.551 C[C@H](C=O)N1CCC[C@@H]1CC(=O)O 508ce86e26acae41a44f072cd14765dd [0,1,0,1,0,0|2,0,0]=4 9762 B13R1.551 C[C@H](C=O)N1CCC[C@H]1CC(=O)O 374c0bf789b2510917dbf987db08c220 [0,1,0,1,0,0|2,0,0]=4 9763 B13R1.586 O=C(O)CCCCCNC1CCC1 1f11b742e92af36a50b91d1c10018dc7 [0,1,0,1,0,0|0,0,2]=4 9764 B13R1.586 O=C(O)CCCCCOC1CCC1 83bdfc9af9b5b76de697dae7ce6f91cf [0,1,0,1,0,0|0,0,2]=4 9765 B13R1.586 O=C(O)CCCCNCC1CCC1 fd6b90481cc4401105cfe42d3b62cfe4 [0,1,0,1,0,0|0,0,2]=4 9766 B13R1.586 O=C(O)CCCCNCC1CCO1 5c20a479dbbc0c4f19b412630675827e [0,1,0,1,0,0|1,0,1]=4 9767 B13R1.586 O=C(O)CCCCNCC1COC1 a487a6168ddc80873a1321511ed9c0a9 [0,1,0,1,0,0|1,0,1]=4 9768 B13R1.586 O=C(O)CCCCNC[C@@H]1CCO1 9de4678b4a8bbe6018248876a6c00383 [0,1,0,1,0,0|1,0,1]=4 9769 B13R1.586 O=C(O)CCCCNC[C@H]1CCO1 fc3f9f07cbb49b1a8acea09dcb1a7ade [0,1,0,1,0,0|1,0,1]=4 9770 B13R1.586 O=C(O)CCCCOCC1CCC1 48418b33c90d313fb601c34d13ed3001 [0,1,0,1,0,0|0,0,2]=4 9771 B13R1.586 O=C(O)CCCCOCC1CCO1 ce977efbbcda54cac459e114b392a318 [0,1,0,1,0,0|1,0,1]=4 9772 B13R1.586 O=C(O)CCCCOCC1COC1 a474ea4abcbedb3f586e1233071fccea [0,1,0,1,0,0|1,0,1]=4 9773 B13R1.586 O=C(O)CCCCOCC1CSC1 e29a91741671b45ac8181bf8aac93be9 [0,1,0,1,0,0|1,0,1]=4 9774 B13R1.586 O=C(O)CCCCOC[C@@H]1CCO1 c6cf047265e0810b88387ec41c9ce123 [0,1,0,1,0,0|1,0,1]=4 9775 B13R1.586 O=C(O)CCCCOC[C@H]1CCO1 4fb990a41771820c6232f6893f608f65 [0,1,0,1,0,0|1,0,1]=4 9776 B13R1.586 O=C(O)CCCNCCC1CCC1 74e340dbb04c0ec783abd443f16a22e9 [0,1,0,1,0,0|0,0,2]=4 9777 B13R1.586 O=C(O)CCCNCCC1CCO1 87b056b2cea862591ab16b5e82d3f25d [0,1,0,1,0,0|1,0,1]=4 9778 B13R1.586 O=C(O)CCCNCCC1COC1 7481cb165013cdde9ffbc1a0d0d2d2e2 [0,1,0,1,0,0|1,0,1]=4 9779 B13R1.586 O=C(O)CCCNCC[C@@H]1CCO1 7a2bce2d95b0fca3e012d9b7620555b7 [0,1,0,1,0,0|1,0,1]=4 9780 B13R1.586 O=C(O)CCCOCCC1CCO1 c0c05385d4b7b1184eec6096642af743 [0,1,0,1,0,0|1,0,1]=4 9781 B13R1.586 O=C(O)CCCOCCC1COC1 352c966b212421d1e474f4cb4475cd9c [0,1,0,1,0,0|1,0,1]=4 9782 B13R1.586 O=C(O)CCCOCC[C@@H]1CCO1 c95d76b311a83028858b39de587c9c5d [0,1,0,1,0,0|1,0,1]=4 9783 B13R1.586 O=C(O)CCCOCC[C@H]1CCO1 f216b3d7c99b76e561a1c39907ddfdd7 [0,1,0,1,0,0|1,0,1]=4 9784 B13R1.586 O=C(O)CCOCCCC1CCC1 8c70b3ef4e434128cebf751c3896f6e1 [0,1,0,1,0,0|0,0,2]=4 9785 B13R1.586 O=C(O)CCOCCCC1COC1 1f852d38330d2008512912b97b678055 [0,1,0,1,0,0|1,0,1]=4 9786 B13R1.601 C#C[C@H]1C[C@H]1COCCCC(=O)O 1c8c022db42702f4f0f845e2d21b7891 [0,1,0,1,0,0|0,0,2]=4 9787 B13R1.601 CC(=O)CCCCOC1CC1C=O 5f664bee9d827770dccf387ac4f3196f [0,1,0,1,0,0|2,0,0]=4 9788 B13R1.601 CO[C@H]1C[C@H]1NCCCCC(=O)O 86d4cf0c93048b2b31a587ad7518d3f4 [0,1,0,1,0,0|1,0,1]=4 9789 B13R1.601 NC(=O)CCCCNC1CC1C=O 0ab5451033060787507d0eb096151d72 [0,1,0,1,0,0|2,0,0]=4 9790 B13R1.601 NC(=O)CCCCOC1CC1C=O cf33c38923cf909854989aad18f9a52b [0,1,0,1,0,0|2,0,0]=4 9791 B13R1.601 O=C(O)CCCCN[C@@H]1C[C@H]1CO 790cb8bc0f26ec6434a2075a09c0c97a [0,1,0,1,0,0|1,0,1]=4 9792 B13R1.601 O=C(O)CCCCN[C@H]1C[C@@H]1CO 5c629c57eb01ea964a3a75a0fd0f87f3 [0,1,0,1,0,0|1,0,1]=4 9793 B13R1.601 O=C(O)CCCCN[C@H]1C[C@H]1CO 981b747c40a09907678d5a39be153b25 [0,1,0,1,0,0|1,0,1]=4 9794 B13R1.601 O=C(O)CCCNCC1CC1CO d87df9e208238162c93917e39a76e035 [0,1,0,1,0,0|1,0,1]=4 9795 B13R1.601 O=CC1CC1NCCCCC(=O)O 616e7082f0fc9e99397dcd083cb50b4f [0,1,0,1,0,0|1,0,0]=3 9796 B13R1.601 O=CC1CC1NCCOCC(=O)O c85c97e7272715b997a315fee005e7ba [0,1,0,1,0,0|2,0,0]=4 9797 B13R1.601 O=CC1CC1NCCSCC(=O)O c95120c130c74f6c8216a1296e41e636 [0,1,0,1,0,0|2,0,0]=4 9798 B13R1.601 O=CC1CC1OCCCCC(=O)O eef8290639ea2144a251353d9b8c1d6c [0,1,0,1,0,0|1,0,0]=3 9799 B13R1.601 O=CC1CC1OCCOCC(=O)O edcd25a925b5ef749f60bdcfcd623f36 [0,1,0,1,0,0|2,0,0]=4 9800 B13R1.717 C=CC(C)COCC1CCC(=O)N1 b6f5a9b550fbe0e749a6590f87970567 [0,1,0,1,0,0|2,0,0]=4 9801 B13R1.717 C=CC(C)COCC1CCC(=O)O1 fb76dd510218faec81d0e7847fea1269 [0,1,0,1,0,0|1,0,0]=3 9802 B13R1.717 C=CC(C)COC[C@@H]1CCC(=O)N1 a5d4d012d080c8058c2bd72fbc5c668b [0,1,0,1,0,0|2,0,0]=4 9803 B13R1.717 C=CC(C)COC[C@H]1CCC(=O)N1 60cd0c5bba3cf3bea9ebce400b169cec [0,1,0,1,0,0|2,0,0]=4 9804 B13R1.717 C=CC(C)OCC[C@@H]1CCC(=O)N1 dd41126e114c5661ce2c5ebc464b4d45 [0,1,0,1,0,0|2,0,0]=4 9805 B13R1.717 C=CC(O)CNCC1CCC(=O)N1 69a5cb4815b86b342cc80e84efa66359 [0,1,0,1,0,0|2,0,0]=4 9806 B13R1.717 C=CC(O)CNCC1CCC(=O)O1 120d9f11282db9d935e76ea690d0673f [0,1,0,1,0,0|1,0,0]=3 9807 B13R1.717 C=CC(O)CNC[C@@H]1CCC(=O)N1 361740717d0794d34dcf7c1a480f52a9 [0,1,0,1,0,0|2,0,0]=4 9808 B13R1.717 C=CC(O)CNC[C@H]1CCC(=O)N1 0298e36378ee514ac75abfbd13376207 [0,1,0,1,0,0|2,0,0]=4 9809 B13R1.2059 C=CC(C)COCC1CC1C(=O)O 6402b9e029d87c2f28d4cb33d55e84bf [0,1,0,1,0,0|1,0,0]=3 9810 B13R1.2059 C=CC(C)COC[C@@H]1C[C@H]1C(=O)O caa4d0f4b588da905352ef3e81f78b87 [0,1,0,1,0,0|1,0,0]=3 9811 B13R1.2059 C=CC(O)CNCC1CC1C(=O)O cc3268f56be97969798597055c0810dc [0,1,0,1,0,0|1,0,0]=3 9812 B13R1.2059 C=CC(O)CNC[C@@H]1C[C@H]1C(=O)O 96bdbe34a8c24f23e5a63d8d0804c7e3 [0,1,0,1,0,0|1,0,0]=3 9813 B13R1.2880 C=CC(C)N[C@@H]1CCC[C@@H]1C(=O)O 6cb5f14f51ddd5154e39a02b48e4e939 [0,1,0,1,0,0|1,0,0]=3 9814 B13R1.2880 C=CC(C)N[C@@H]1COC[C@@H]1C(=O)O 143f60230fec9c636da38ded436284fb [0,1,0,1,0,0|2,0,0]=4 9815 B13R1.2880 C=CC(C)N[C@@H]1COC[C@H]1C(=O)O df8f09fcc8adb0252f5c9c8739976c51 [0,1,0,1,0,0|2,0,0]=4 9816 B13R1.2880 C=CC(C)N[C@H]1CCC[C@@H]1C(=O)O e56773843d6e2e6e6117909d991a15b1 [0,1,0,1,0,0|1,0,0]=3 9817 B13R1.2880 C=CC(C)N[C@H]1CCC[C@H]1C(=O)O 50acd984790708f95da1a1c4660017bc [0,1,0,1,0,0|1,0,0]=3 9818 B13R1.2880 C=CC(C)N[C@H]1COC[C@@H]1C(=O)O 81ea766dbcba8ce413d095d5f104ac73 [0,1,0,1,0,0|2,0,0]=4 9819 B13R1.2880 C=CC(C)N[C@H]1COC[C@H]1C(=O)O 950789943ead481554ef5a9a1e807e74 [0,1,0,1,0,0|2,0,0]=4 9820 B13R1.2880 C=CC(C)OC1CCCC1C(=O)N 44a052dee4cc43b3aa39fcdcaee0e9db [0,1,0,1,0,0|2,0,0]=4 9821 B13R1.2880 C=CC(C)OC1CCCC1C(=O)O a8df3aadaf0a63b16f3a8b2aa786e865 [0,1,0,1,0,0|1,0,0]=3 9822 B13R1.2880 C=CC(C)O[C@@H]1CCC[C@@H]1C(=O)O 58a92996f62de460bfdc80919cfd0dce [0,1,0,1,0,0|1,0,0]=3 9823 B13R1.2880 C=CC(C)O[C@@H]1CCC[C@H]1C(=O)O 4a28d499fedc5eb606e247b417224978 [0,1,0,1,0,0|1,0,0]=3 9824 B13R1.2880 C=CC(C)O[C@H]1CCC[C@H]1C(=O)O 78f7b4186692b34caf240b4b96779040 [0,1,0,1,0,0|1,0,0]=3 9825 B13R1.2880 CC(C=O)N[C@@H]1CCC[C@@H]1C(=O)O ccc534a63052c2ebe9b44734d39d647a [0,1,0,1,0,0|2,0,0]=4 9826 B13R1.2880 CC(C=O)N[C@H]1CCC[C@@H]1C(=O)O 89befd13b2dd6cb52209eb1b53ea7756 [0,1,0,1,0,0|2,0,0]=4 9827 B13R1.2880 CC(C=O)N[C@H]1CCC[C@H]1C(=O)O 7694a7b945231352107c8da83b51491d [0,1,0,1,0,0|2,0,0]=4 9828 B13R1.2880 CC(C=O)OC1CCCC1C(=O)O f7afe5e4880265244e23150f86ef26bd [0,1,0,1,0,0|2,0,0]=4 9829 B13R1.2880 CC(C=O)O[C@@H]1CCC[C@@H]1C(=O)O 39a2a84c790c4445cb676cc852de810e [0,1,0,1,0,0|2,0,0]=4 9830 B13R1.2880 CC(C=O)O[C@@H]1CCC[C@H]1C(=O)O f77af0f99f151e674f27fab655512a2b [0,1,0,1,0,0|2,0,0]=4 9831 B13R1.2880 CC(C=O)O[C@H]1CCC[C@H]1C(=O)O dc55d0d0da6be93ae9e982d027bb3346 [0,1,0,1,0,0|2,0,0]=4 9832 B13R1.2880 C[C@H](C=O)N[C@@H]1CCC[C@@H]1C(=O)O 0a57f72131867de712171b94ef0a7129 [0,1,0,1,0,0|2,0,0]=4 9833 B13R1.2880 C[C@H](C=O)N[C@H]1CCC[C@@H]1C(=O)O 0fee01f727df3c89ee26b8f091bbb726 [0,1,0,1,0,0|2,0,0]=4 9834 B13R1.2880 C[C@H](C=O)N[C@H]1CCC[C@H]1C(=O)O 9b21f9db517124b17c1cdf41fddf6cd5 [0,1,0,1,0,0|2,0,0]=4 9835 B13R1.2880 C[C@H](C=O)OC1CCCC1C(=O)O d18a71b46559065d10d61a17dc549ac5 [0,1,0,1,0,0|2,0,0]=4 9836 B13R1.2880 C[C@H](C=O)O[C@@H]1CCC[C@@H]1C(=O)O 2292afaf5c4f8278acd44b213b208b28 [0,1,0,1,0,0|2,0,0]=4 9837 B13R1.2880 C[C@H](C=O)O[C@@H]1CCC[C@H]1C(=O)O 3707f7b9d1c1cd9e3e8cc3fac7e9bfde [0,1,0,1,0,0|2,0,0]=4 9838 B13R1.2880 C[C@H](C=O)O[C@H]1CCC[C@H]1C(=O)O 41a677a3f756d0f930d83e9e52ff5505 [0,1,0,1,0,0|2,0,0]=4 9839 B13R1.23 C=CCCNC(=O)C1CCC(=O)O1 9725533aa39671700b54bc0577f30934 [0,1,0,1,0,0|1,0,1]=4 9840 B13R1.23 C=CCCNC(=O)[C@@H]1CCC(=O)O1 c9e7f4385ed48b859734f3bab1c638dc [0,1,0,1,0,0|1,0,1]=4 9841 B13R1.23 C=CCCNC(=O)[C@H]1CCC(=O)O1 a43aadbf48d4bb5295649420beeb598f [0,1,0,1,0,0|1,0,1]=4 9842 B13R1.149 C=C(Br)CCOC1CCCC(=O)C1 89ecf1baec592c4532d66ac5cbc6448a [0,1,0,1,0,0|2,0,0]=4 9843 B13R1.149 C=C(Br)CNCC1CCCC(=O)N1 dacd7dfa156677d357cc019abff2b48e [0,1,0,1,0,0|2,0,0]=4 9844 B13R1.149 C=C(Br)COCC1CCCC(=O)C1 3f420b819b393cab747434a0d9f5db94 [0,1,0,1,0,0|2,0,0]=4 9845 B13R1.149 C=C(Br)COCC1CCCC(=O)N1 36519c9024a1d2303503d2fab46c9f27 [0,1,0,1,0,0|2,0,0]=4 9846 B13R1.149 C=C(Br)COC[C@@H]1CCCC(=O)N1 7079fa5d22f4daaeb042e749aff4626d [0,1,0,1,0,0|2,0,0]=4 9847 B13R1.149 C=C(Br)COC[C@H]1CCCC(=O)N1 d5728e5ccf495bac6c0ef2bc8669899e [0,1,0,1,0,0|2,0,0]=4 9848 B13R1.149 C=C(C)CCCN1CCCC(=O)C1 38c9bae7a3728d5a84c240f339fde6bf [0,1,0,1,0,0|2,0,0]=4 9849 B13R1.149 C=C(C)CCNC1CCCC(=O)C1 75ef2800cd723391fa0f64a6ca8f84e7 [0,1,0,1,0,0|2,0,0]=4 9850 B13R1.149 C=C(C)CCOC1CCCC(=O)C1 aa190a898b872aab5ecd673be230aee3 [0,1,0,1,0,0|2,0,0]=4 9851 B13R1.149 C=C(C)CNCC1CCCC(=O)N1 c8d365b7f487af70afec14dd1947e823 [0,1,0,1,0,0|2,0,0]=4 9852 B13R1.149 C=C(C)COCC1CCCC(=O)C1 7752732e60493641813400f3cc0038d6 [0,1,0,1,0,0|2,0,0]=4 9853 B13R1.149 C=C(C)COCC1CCCC(=O)N1 0cd75d2aeedea3222918030628d71d0d [0,1,0,1,0,0|2,0,0]=4 9854 B13R1.149 C=C(C)COC[C@@H]1CCCC(=O)N1 60e9c69ca2ec217d53bfe74cf53a87a6 [0,1,0,1,0,0|2,0,0]=4 9855 B13R1.149 C=C(C)COC[C@H]1CCCC(=O)N1 3cb1234ffbdc33452890ccf4c325a52a [0,1,0,1,0,0|2,0,0]=4 9856 B13R1.149 C=C(Cl)CNCC1CCCC(=O)N1 da842253880c0099fb6e19fddcc6ac4d [0,1,0,1,0,0|2,0,0]=4 9857 B13R1.149 C=C(Cl)COCC1CCCC(=O)C1 0931e9db5f9027f67749abd93d493d64 [0,1,0,1,0,0|2,0,0]=4 9858 B13R1.149 C=C(Cl)COCC1CCCC(=O)N1 3a3ad3aac49610dad7c90b6f9e2befe5 [0,1,0,1,0,0|2,0,0]=4 9859 B13R1.149 C=C(Cl)COC[C@@H]1CCCC(=O)N1 321398232733586da6176e35ca11920f [0,1,0,1,0,0|2,0,0]=4 9860 B13R1.149 C=C(Cl)COC[C@H]1CCCC(=O)N1 45852552e020a97d4d26b598fda40a90 [0,1,0,1,0,0|2,0,0]=4 9861 B13R1.149 C=C(F)CNCC1CCCC(=O)N1 07dc2db3fd0bdda1e42dacea4f1e1e0d [0,1,0,1,0,0|2,0,0]=4 9862 B13R1.149 C=C(F)COCC1CCCC(=O)C1 5452c94947c407dac6fd47bc9eaaed67 [0,1,0,1,0,0|2,0,0]=4 9863 B13R1.149 C=C(F)COCC1CCCC(=O)N1 e5e833f92e2a4ad8cde1ecad5c3a201f [0,1,0,1,0,0|2,0,0]=4 9864 B13R1.149 C=C(F)COC[C@@H]1CCCC(=O)N1 c4b1be601e513b963c7fc38e630cb499 [0,1,0,1,0,0|2,0,0]=4 9865 B13R1.149 C=C(F)COC[C@H]1CCCC(=O)N1 82a18e8994fbcd35499adaecf7e623cd [0,1,0,1,0,0|2,0,0]=4 9866 B13R1.149 CC(=O)CCOC1C=C(CCC1)C fd4ee390e36a3923b0acdd17b67615b4 [0,1,0,1,0,0|2,0,0]=4 9867 B13R1.149 CC1=CC(CCC1)OCCC(=O)N a4d915703e962ee4ff77ba740b3241d3 [0,1,0,1,0,0|2,0,0]=4 9868 B13R1.149 CC1=CC(CCC1)OCCC(=O)O d1dd67e6726d3a7e1b99b42794585b51 [0,1,0,1,0,0|1,0,0]=3 9869 B13R1.149 O=C(O)CCOC1CCCC(=O)C1 65e90cfbd2495cf7d42a857b10df3406 [0,1,0,1,0,0|1,0,1]=4 9870 B13R1.149 O=C(O)CNCC1CCCC(=O)N1 b1409a25d3b030b6c31074971124dc10 [0,1,0,1,0,0|2,0,0]=4 9871 B13R1.149 O=C(O)COCC1CCCC(=O)C1 e2304713812d43328b6be75bd387da61 [0,1,0,1,0,0|1,0,1]=4 9872 B13R1.149 O=C(O)COCC1CCCC(=O)N1 74eeb14faa1239137f50c11513139ef1 [0,1,0,1,0,0|2,0,0]=4 9873 B13R1.149 O=C(O)COC[C@@H]1CCCC(=O)N1 9eb3d21616b9f362b36d28ccf74aac7c [0,1,0,1,0,0|2,0,0]=4 9874 B13R1.149 O=C(O)COC[C@H]1CCCC(=O)N1 6bb7b8e602b3f6af4d05aae394f26f3c [0,1,0,1,0,0|2,0,0]=4 9875 B13R1.280 CC(=O)CNC1CCCCCC1=O 0cfb55676068011481ff22f04b296430 [0,1,0,1,0,0|2,0,0]=4 9876 B13R1.280 CC1CCCCCN1CCC(=O)O aac07d5b66022a5ccb6d9e1724419074 [0,1,0,1,0,0|0,0,2]=4 9877 B13R1.280 NC(=O)CNC1CCCCCC1=O 33c1e0ec95b48ec9e2016158c9813517 [0,1,0,1,0,0|2,0,0]=4 9878 B13R1.280 NC(=O)COC1CCCCCC1=O 552abd678f0cb9a1564987cef78bc535 [0,1,0,1,0,0|2,0,0]=4 9879 B13R1.280 O=C(O)CNC1CCCCNC1=O 79753ed4806314c7bab9ad9bc2e98167 [0,1,0,1,0,0|2,0,0]=4 9880 B13R1.280 O=C(O)CN[C@@H]1CCCCC[C@@H]1O 49c1c55560994bdc62dc10af84166624 [0,1,0,1,0,0|1,0,1]=4 9881 B13R1.280 O=C(O)CN[C@@H]1CCCCC[C@H]1O b5b8e2478ba424834fb9e2d51ff8939f [0,1,0,1,0,0|1,0,1]=4 9882 B13R1.280 O=C(O)CN[C@@H]1CCCCNC1=O a683b1dd80cdfe03cb5ba1416d2b0aa1 [0,1,0,1,0,0|2,0,0]=4 9883 B13R1.280 O=C(O)CN[C@H]1CCCCC[C@@H]1O 5db0b2eefd61baf6e065e9fbf83ec5a0 [0,1,0,1,0,0|1,0,1]=4 9884 B13R1.280 O=C(O)CN[C@H]1CCCCNC1=O 366a288c4c56f28cb5f7f05ce6fec1ca [0,1,0,1,0,0|2,0,0]=4 9885 B13R1.280 O=C(O)COC1CCCCCC1=O 1fe90659c5161d0c642945ff599c47c9 [0,1,0,1,0,0|1,0,0]=3 9886 B13R1.356 C=CCN1CC(CCC1C(=O)O)O 344c966c6899b0d6d490b824ec125f4e [0,1,0,1,0,0|1,0,0]=3 9887 B13R1.356 C=CCN1C[C@H](CC[C@H]1C(=O)O)O 1954fa65f77a9d93252848d8ba2971f2 [0,1,0,1,0,0|1,0,0]=3 9888 B13R1.356 O=CCN1CC(CCC1C(=O)O)O ad0089557236060261e4921ec54243fb [0,1,0,1,0,0|2,0,0]=4 9889 B13R1.356 O=CCN1C[C@H](CC[C@H]1C(=O)O)O 186dbb442405df21353c25d09c3de43d [0,1,0,1,0,0|2,0,0]=4 9890 B13R1.658 C=CCCCN1CCC(C1)C(=O)C e9e3f319d1671eb9a27a54bde142c0a0 [0,1,0,1,0,0|2,0,0]=4 9891 B13R1.658 C=CCCCN1CCC(C1)C(=O)N 2305f8f136f9dca61fc6d023efe67b01 [0,1,0,1,0,0|2,0,0]=4 9892 B13R1.658 C=CCCCN1CCC(C1)C(=O)O db9848887048e403d2972271e31b5349 [0,1,0,1,0,0|1,0,0]=3 9893 B13R1.658 C=CCCCN1CC[C@@H](C1)C(=O)N 0016c9fac49f8ec4989df1acb4051c40 [0,1,0,1,0,0|2,0,0]=4 9894 B13R1.658 C=CCCCN1CC[C@@H](C1)C(=O)O 916fda36716eab85cf9527e4557aa1d0 [0,1,0,1,0,0|1,0,0]=3 9895 B13R1.658 C=CCCCN1CC[C@H](C1)C(=O)N 8f776dd88be621c1200a4f0f249fffaf [0,1,0,1,0,0|2,0,0]=4 9896 B13R1.658 C=CCCCN1CC[C@H](C1)C(=O)O 24ae12c829f86c50cc5213207508ee22 [0,1,0,1,0,0|1,0,0]=3 9897 B13R1.658 C=CCCNC1CCC(C1)C(=O)N 1fe9047f2d107e5741b9960f8b60a6ae [0,1,0,1,0,0|2,0,0]=4 9898 B13R1.658 C=CCCNC1CCC(C1)C(=O)O a5842616c7882cf73d527e9dae4433d0 [0,1,0,1,0,0|1,0,0]=3 9899 B13R1.658 C=CCCN[C@@H]1CC[C@@H](C1)C(=O)N 1be25c76098d6e0db9a6f0b996966ed0 [0,1,0,1,0,0|2,0,0]=4 9900 B13R1.658 C=CCCN[C@@H]1CC[C@@H](C1)C(=O)O 1046bdbc44741076f456a5314377e1e1 [0,1,0,1,0,0|1,0,0]=3 9901 B13R1.658 C=CCCN[C@@H]1CC[C@H](C1)C(=O)N 11e369d9017f022fe468e05c6ed47730 [0,1,0,1,0,0|2,0,0]=4 9902 B13R1.658 C=CCCN[C@@H]1CC[C@H](C1)C(=O)O 17a07efe32cebe7b58b64cb9f17dc4e4 [0,1,0,1,0,0|1,0,0]=3 9903 B13R1.658 C=CCCN[C@H]1CC[C@@H](C1)C(=O)N 54028ea9ffdc74196007d27799cd0274 [0,1,0,1,0,0|2,0,0]=4 9904 B13R1.658 C=CCCN[C@H]1CC[C@@H](C1)C(=O)O 262e9cbbb909e06fd0cee7d19d21b4bb [0,1,0,1,0,0|1,0,0]=3 9905 B13R1.658 C=CCCN[C@H]1CC[C@H](C1)C(=O)N dfd6a12c73f759a0da578b6a5032f168 [0,1,0,1,0,0|2,0,0]=4 9906 B13R1.658 C=CCCN[C@H]1CC[C@H](C1)C(=O)O 508ef3e9ab1ddd7450662c6338f5e576 [0,1,0,1,0,0|1,0,0]=3 9907 B13R1.658 C=CCCOC1CCC(C1)C(=O)O 8b42b19423ab6d7bb7e944ba18259894 [0,1,0,1,0,0|1,0,0]=3 9908 B13R1.658 C=CCCOC1CSC(O1)C(=O)O 2bee64b1b437dfdb21602b2eec876743 [0,1,0,1,0,0|2,0,0]=4 9909 B13R1.658 C=CCCO[C@@H]1CC[C@@H](C1)C(=O)O de8205d70567198b7757d88ffed67e7c [0,1,0,1,0,0|1,0,0]=3 9910 B13R1.658 C=CCCO[C@@H]1CC[C@H](C1)C(=O)O c101e91d86a2fefa8a86be4686c71c73 [0,1,0,1,0,0|1,0,0]=3 9911 B13R1.658 C=CCCO[C@H]1CC[C@@H](C1)C(=O)O fc040a56bcc20248de27cd187f03b3d2 [0,1,0,1,0,0|1,0,0]=3 9912 B13R1.658 C=CCCO[C@H]1CC[C@H](C1)C(=O)O 9f85fbb77efde73364c3a84fb6bfd37e [0,1,0,1,0,0|1,0,0]=3 9913 B13R1.658 O=CCCCN1CCC(C1)C(=O)O 7d13abd75fcfd134a8008b53dec3b360 [0,1,0,1,0,0|2,0,0]=4 9914 B13R1.658 O=CCCCN1CC[C@@H](C1)C(=O)O fc251c0a8195fd86a56ea9c1f0a3bdcc [0,1,0,1,0,0|2,0,0]=4 9915 B13R1.658 O=CCCCN1CC[C@H](C1)C(=O)O 500e8752dee9dab9986afd096075a7db [0,1,0,1,0,0|2,0,0]=4 9916 B13R1.658 O=CCCNC1CCC(C1)C(=O)O c7075c13d440b8a0f03409d719b1092b [0,1,0,1,0,0|2,0,0]=4 9917 B13R1.658 O=CCCN[C@@H]1CC[C@@H](C1)C(=O)O a07712d0f6f467b5237399b05e082037 [0,1,0,1,0,0|2,0,0]=4 9918 B13R1.658 O=CCCN[C@@H]1CC[C@H](C1)C(=O)O bca3529369ef77a3415ac308abad3aa7 [0,1,0,1,0,0|2,0,0]=4 9919 B13R1.658 O=CCCN[C@H]1CC[C@@H](C1)C(=O)O 4d4cc640d3d1be88d78206be350128ff [0,1,0,1,0,0|2,0,0]=4 9920 B13R1.658 O=CCCN[C@H]1CC[C@H](C1)C(=O)O 794cd2cc002debce1a651f9eb3c01b96 [0,1,0,1,0,0|2,0,0]=4 9921 B13R1.658 O=CCCOC1CCC(C1)C(=O)O b39ab6f3556bb630299590f0209e89c5 [0,1,0,1,0,0|2,0,0]=4 9922 B13R1.658 O=CCCO[C@@H]1CC[C@@H](C1)C(=O)O 58a2f792a53be40c3ac5b8b7da08c12c [0,1,0,1,0,0|2,0,0]=4 9923 B13R1.658 O=CCCO[C@@H]1CC[C@H](C1)C(=O)O 74352465d4d416982bc75b016fb6a059 [0,1,0,1,0,0|2,0,0]=4 9924 B13R1.658 O=CCCO[C@H]1CC[C@@H](C1)C(=O)O d801275a5562657a09f4a5113b88b0e0 [0,1,0,1,0,0|2,0,0]=4 9925 B13R1.658 O=CCCO[C@H]1CC[C@H](C1)C(=O)O 8c0a4d33edad14273f6ec4dd9954034b [0,1,0,1,0,0|2,0,0]=4 9926 B13R1.727 C=CCCCN(C)CC1CC(=O)C1 e26a0027825424718beb4b70330fb66f [0,1,0,1,0,0|2,0,0]=4 9927 B13R1.727 C=CCCCN(C)CC1CC(=O)N1 34a627a1523f8dec34ca5c909819cf78 [0,1,0,1,0,0|2,0,0]=4 9928 B13R1.727 C=CCCCN(C)CC1CC(=O)O1 6e92e27b80417857cb087255c4459a1f [0,1,0,1,0,0|1,0,0]=3 9929 B13R1.727 C=CCCC[C@H](C)OC1CC(=O)C1 decad88192988bf9bd500d3fc9cd4b94 [0,1,0,1,0,0|2,0,0]=4 9930 B13R1.1141 C=CCCC[C@@H]1C[C@H]1OCC(=C)Br 5622a727dc7d6ff3b1ffc86132440867 [0,1,0,1,0,0|2,0,0]=4 9931 B13R1.1141 C=CCCC[C@@H]1C[C@H]1OCC(=C)C 6419b05f6522cf1502709dd4004a2a78 [0,1,0,1,0,0|2,0,0]=4 9932 B13R1.1141 C=CCCC[C@@H]1C[C@H]1OCC(=C)Cl 43b35ed8b245365f69e571433f318560 [0,1,0,1,0,0|2,0,0]=4 9933 B13R1.1141 C=CCCC[C@@H]1C[C@H]1OCC(=C)F 867ec1cecc43b37a649a923e8ccea0e1 [0,1,0,1,0,0|2,0,0]=4 9934 B13R1.1141 C=CCCC[C@@H]1C[C@H]1OCC(=O)N 6e40a308c5aeaa72e97ed66e387eae34 [0,1,0,1,0,0|1,0,0]=3 9935 B13R1.1141 C=CCCC[C@@H]1C[C@H]1OCC(=O)O af1bb6e8fd48ef0852bef849a5ce380e [0,1,0,1,0,0|0,0,0]=2 9936 B13R1.1141 C=CCCC[C@@H]1C[C@H]1OC[N+](=O)[O-] aa88fb705a2bf6bfc19016df6cdd3210 [0,1,0,1,0,0|1,0,1]=4 9937 B13R1.1149 C=CCCCN1CCCC(=O)CC1 d6585f6adccc54ea5868fc5d335aac43 [0,1,0,1,0,0|2,0,0]=4 9938 B13R1.1149 C=CCCOC1CCCC(=O)NC1 ed38a8088729e6d67939c5af9014cda3 [0,1,0,1,0,0|2,0,0]=4 9939 B13R1.1149 C=CCOCC1CCNC(=O)CO1 75be86d4712c9a76e3c744a75e8a497c [0,1,0,1,0,0|2,0,0]=4 9940 B13R1.1988 O=C(O)CCNC1CCCCCC1 51bae8bd8ca06ecb222203d37d82a38a [0,1,0,1,0,0|0,0,2]=4 9941 B13R1.1988 O=C(O)CCOC1CCCCCC1 83377bc176c2f458b0089e2ea5f2a7a2 [0,1,0,1,0,0|0,0,2]=4 9942 B13R1.1988 O=C(O)CNCC1CCCCCC1 b81c26e321048c84da841e7c0538bc42 [0,1,0,1,0,0|0,0,2]=4 9943 B13R1.1988 O=C(O)COCC1CCCCCC1 09f27392c9363f19623c7a83beb1c055 [0,1,0,1,0,0|0,0,2]=4 9944 B13R1.2294 CN(CCCC(=O)O)C1CC1C=O dfda2e6fa08b02d1053d18112b64b385 [0,1,0,1,0,0|2,0,0]=4 9945 B13R1.2744 C=CCCCN(C)[C@@H]1C[C@@H]1C(=O)O 9874e7db7dcecec8a7616da9dadd56f7 [0,1,0,1,0,0|1,0,0]=3 9946 B13R1.2744 C=CCCCN(C)[C@H]1C[C@@H]1C(=O)O 837eb81f05bc28109a01ae333006968e [0,1,0,1,0,0|1,0,0]=3 9947 B13R1.2744 C=CCCCN(C)[C@H]1C[C@H]1C(=O)O 36e8f7f9daff4e724f97b0eee3eb84e0 [0,1,0,1,0,0|1,0,0]=3 9948 B13R1.3386 C=CCCN1C(SCC1C(=O)O)C b85710bc2a206121499af53484973ad7 [0,1,0,1,0,0|2,0,0]=4 9949 B13R1.3566 CC1(CCCC1=O)COCC(=O)O ee2b9db18c6a136b19a8d9a49c9ee85a [0,1,0,1,0,0|2,0,0]=4 9950 B13R1.6 C/C=C/CCOC1CCCC(=O)C1 a575d77329e2d627b8108dbbaebb79b5 [0,1,0,1,0,0|2,0,0]=4 9951 B13R1.6 C/C=C/CNCC1CCCC(=O)N1 2876dd6f42f88ba6dd4fe43c5936a38d [0,1,0,1,0,0|2,0,0]=4 9952 B13R1.6 C/C=C/COCC1CCCC(=O)C1 2e023115a1a73ff7bc644288660b55bc [0,1,0,1,0,0|2,0,0]=4 9953 B13R1.6 C/C=C/COCC1CCCC(=O)N1 40ff778ab0b8bd40c34e5ac1dc70ed1e [0,1,0,1,0,0|2,0,0]=4 9954 B13R1.6 C/C=C/COC[C@@H]1CCCC(=O)N1 3e8843f03f8ae5087dba46b570e957ff [0,1,0,1,0,0|2,0,0]=4 9955 B13R1.6 C/C=C/COC[C@H]1CCCC(=O)N1 f3b92246407481c0e7b577090bfa4860 [0,1,0,1,0,0|2,0,0]=4 9956 B13R1.6 C/C=C\CCCN1CCCC(=O)C1 44c66b4604501063e38c76f3f6750ca4 [0,1,0,1,0,0|2,0,0]=4 9957 B13R1.6 C/C=C\CNCC1CCCC(=O)N1 77b953d416e8f0e74c067b4ec7b96915 [0,1,0,1,0,0|2,0,0]=4 9958 B13R1.6 C/C=C\COCC1CCCC(=O)C1 9c43e9d3874f8ddb177de893cf8c90b0 [0,1,0,1,0,0|2,0,0]=4 9959 B13R1.6 C/C=C\COCC1CCCC(=O)N1 2c28a2ff25ac762c7a8df39cdb430955 [0,1,0,1,0,0|2,0,0]=4 9960 B13R1.6 C/C=C\COC[C@@H]1CCCC(=O)N1 f3c8e08facb73acccc0893023b18be27 [0,1,0,1,0,0|2,0,0]=4 9961 B13R1.6 C/C=C\COC[C@H]1CCCC(=O)N1 f53478b56eb99a0b4653fbeb7fa00a45 [0,1,0,1,0,0|2,0,0]=4 9962 B13R1.6 C=C=CCCOC1CCCC(=O)C1 512cc272aa4cbbb230a80d9269c5c764 [0,1,0,1,0,0|2,0,0]=4 9963 B13R1.6 C=CCCCCN1CCCC(=O)C1 0f6ca9867061c31c2a79333cf7a2708c [0,1,0,1,0,0|1,0,0]=3 9964 B13R1.6 C=CCCCCN1CCCC(C1)O 516f02731af482eaf34910f4e9aebe3f [0,1,0,1,0,0|1,0,1]=4 9965 B13R1.6 C=CCCCCN1CCC[C@@H](C1)O dd72c1368909905fd00db8e868883c68 [0,1,0,1,0,0|1,0,1]=4 9966 B13R1.6 C=CCCCCN1CCC[C@H](C1)O 4c3aa5d23588519816323c4108a7e18e [0,1,0,1,0,0|1,0,1]=4 9967 B13R1.6 C=CCCCCN1CCNC(=O)C1 05929af4d116564a6649c83ea2d1edb9 [0,1,0,1,0,0|2,0,0]=4 9968 B13R1.6 C=CCCCCN1CCOC(=O)C1 8918eb87b83795495e7294a84c94ddfa [0,1,0,1,0,0|2,0,0]=4 9969 B13R1.6 C=CCCCNC1CCCC(=O)C1 189c0b9a4ffcbd10d73a619d883c0358 [0,1,0,1,0,0|1,0,0]=3 9970 B13R1.6 C=CCCCNC1CCCC(C1)O 7dae4059b30249ad345ccbdfa32de2e2 [0,1,0,1,0,0|1,0,1]=4 9971 B13R1.6 C=CCCCNC1CCNC(=O)C1 0765b8e59d07cf19b0f881f07d42ffa7 [0,1,0,1,0,0|2,0,0]=4 9972 B13R1.6 C=CCCCN[C@@H]1CCC[C@@H](C1)O 4569ce9e73240a0a839843b041bf3583 [0,1,0,1,0,0|1,0,1]=4 9973 B13R1.6 C=CCCCN[C@@H]1CCC[C@H](C1)O da2c4faebc605cf1553313d71e50e188 [0,1,0,1,0,0|1,0,1]=4 9974 B13R1.6 C=CCCCN[C@@H]1CCNC(=O)C1 2a280a63bf65f9bb9bb8a4e64a6e1b1d [0,1,0,1,0,0|2,0,0]=4 9975 B13R1.6 C=CCCCN[C@H]1CCC[C@@H](C1)O 7e3e15dbe6defd0a7551968e08e9333a [0,1,0,1,0,0|1,0,1]=4 9976 B13R1.6 C=CCCCN[C@H]1CCC[C@H](C1)O c44299b49206f8d462b8b2429588f782 [0,1,0,1,0,0|1,0,1]=4 9977 B13R1.6 C=CCCCN[C@H]1CCNC(=O)C1 af915f33e7f2f6458e1eafb2d14f2690 [0,1,0,1,0,0|2,0,0]=4 9978 B13R1.6 C=CCCCOC1=CC(=O)CCC1 4e6ef9ab3da37e763e028102554f7336 [0,1,0,1,0,0|1,0,1]=4 9979 B13R1.6 C=CCCCOC1C=C(CCC1)C 093ef7ba43292f1698e228ab4a7113f5 [0,1,0,1,0,0|2,0,0]=4 9980 B13R1.6 C=CCCCOC1CCCC(=O)C1 7fc58b1552d8207485e7189291f22c4a [0,1,0,1,0,0|1,0,0]=3 9981 B13R1.6 C=CCCCOC1CCNC(=O)C1 63b93cb025902b2a67ced112c6bff096 [0,1,0,1,0,0|2,0,0]=4 9982 B13R1.6 C=CCCCO[C@@H]1CCNC(=O)C1 e74659fee170ffd08b9aadf7252a6e7d [0,1,0,1,0,0|2,0,0]=4 9983 B13R1.6 C=CCCCO[C@H]1CCNC(=O)C1 579c8ec7c9e332b39c741fae3f4031da [0,1,0,1,0,0|2,0,0]=4 9984 B13R1.6 C=CCCNCC1CCCC(=O)N1 eb9130e28079a6c6b49a9d063c7eed56 [0,1,0,1,0,0|1,0,0]=3 9985 B13R1.6 C=CCCNCC1CCCC(C1)O 71a5847519e6b9d604c8a204738b6ef3 [0,1,0,1,0,0|1,0,1]=4 9986 B13R1.6 C=CCCNCC1CCNC(=O)C1 60b1173f6aa9bdee4626490cf0d4f970 [0,1,0,1,0,0|2,0,0]=4 9987 B13R1.6 C=CCCNC[C@H]1CCC[C@H](C1)O aea190c4dbfbbcde02cd553251787964 [0,1,0,1,0,0|1,0,1]=4 9988 B13R1.6 C=CCCOCC1CCCC(=O)C1 28f13772399b459df0762a22ed4bf0b3 [0,1,0,1,0,0|1,0,0]=3 9989 B13R1.6 C=CCCOCC1CCCC(=O)N1 c95055794d6b9a6a03fd65324b7413db [0,1,0,1,0,0|1,0,0]=3 9990 B13R1.6 C=CCCOCC1CCNC(=O)C1 7db93b922281dbb96de7dbb34e524fd6 [0,1,0,1,0,0|2,0,0]=4 9991 B13R1.6 C=CCCOCC1COCC(=O)N1 a1ac3782b0796f51003cb328bc60db06 [0,1,0,1,0,0|2,0,0]=4 9992 B13R1.6 C=CCCOC[C@@H]1CCCC(=O)N1 598ef9e5bc1a4d8faf31a9ac705c9ce7 [0,1,0,1,0,0|1,0,0]=3 9993 B13R1.6 C=CCCOC[C@@H]1COCC(=O)N1 4b88ecb75062e3e5156ec568ccd86bd8 [0,1,0,1,0,0|2,0,0]=4 9994 B13R1.6 C=CCCOC[C@H]1CCCC(=O)N1 67f9f40985020575777555ba1ccf2889 [0,1,0,1,0,0|1,0,0]=3 9995 B13R1.6 C=CCCOC[C@H]1COCC(=O)N1 73f10c3b9a638e8235bd7871d6ae0586 [0,1,0,1,0,0|2,0,0]=4 9996 B13R1.6 C=CCOCCN1CCCC(=O)C1 66cffe8b4f97a194967ff06b1335c278 [0,1,0,1,0,0|2,0,0]=4 9997 B13R1.6 C=COCCNC1CCCC(=O)C1 e3930642a478d36d07ffe0c59b629963 [0,1,0,1,0,0|2,0,0]=4 9998 B13R1.6 C=COCCOC1CCCC(=O)C1 d79da1b0e8ea816d065f9d31283d5658 [0,1,0,1,0,0|2,0,0]=4 9999 B13R1.6 O=C1CCCC(C1)COC/C=C/Cl 01acbcc762d598020573fb08c5718771 [0,1,0,1,0,0|2,0,0]=4 10000 B13R1.6 O=C1CCCC(C1)COC/C=C\Cl fceecdd7a45ca0354bbf40982a5f8b4b [0,1,0,1,0,0|2,0,0]=4 10001 B13R1.6 O=C1CCCC(N1)CNC/C=C/Cl bae31f2400abe0fad9d41168dbd14923 [0,1,0,1,0,0|2,0,0]=4 10002 B13R1.6 O=C1CCCC(N1)CNC/C=C\Cl e4350f79100be4c9d6dce6ffe45faf0a [0,1,0,1,0,0|2,0,0]=4 10003 B13R1.6 O=C1CCCC(N1)CNC/C=C\O f36a5425e676135b8cbc8453be813f33 [0,1,0,1,0,0|2,0,0]=4 10004 B13R1.6 O=C1CCCC(N1)COC/C=C/Cl 83cc94f1deac16e4acb9489f6b4d4f7d [0,1,0,1,0,0|2,0,0]=4 10005 B13R1.6 O=C1CCCC(N1)COC/C=C\Cl fc5190f0da128315899873d285d0e74e [0,1,0,1,0,0|2,0,0]=4 10006 B13R1.6 O=C1CCC[C@@H](N1)COC/C=C/Cl cd4ac6584bfbfdc1b57327de61cccbef [0,1,0,1,0,0|2,0,0]=4 10007 B13R1.6 O=C1CCC[C@@H](N1)COC/C=C\Cl 9e21988d5f2db3302b7a2d5002acfc7e [0,1,0,1,0,0|2,0,0]=4 10008 B13R1.6 O=C1CCC[C@H](N1)COC/C=C/Cl 7677deca698ad193fd765fbbe22d62e5 [0,1,0,1,0,0|2,0,0]=4 10009 B13R1.6 O=C1CCC[C@H](N1)COC/C=C\Cl 6b5e5475ed4583eaa4c86ffe009ed081 [0,1,0,1,0,0|2,0,0]=4 10010 B13R1.6 O=CCCCCN1CCCC(=O)C1 3cfc31f4869bf43f89d536907d0b1720 [0,1,0,1,0,0|2,0,0]=4 10011 B13R1.6 O=CCCCOC1CCCC(=O)C1 da979f76324a11884db384e17e115749 [0,1,0,1,0,0|2,0,0]=4 10012 B13R1.6 O=CCCNCC1CCCC(=O)N1 8b20c83f42b22ae4efbb2bcd55ad1b6b [0,1,0,1,0,0|2,0,0]=4 10013 B13R1.6 O=CCCOCC1CCCC(=O)C1 823e2dc8deef76ac6446e54496c7b9f6 [0,1,0,1,0,0|2,0,0]=4 10014 B13R1.6 O=CCCOCC1CCCC(=O)N1 3922a86cccb5dee0374c77a710c1c03d [0,1,0,1,0,0|2,0,0]=4 10015 B13R1.6 O=CCCOC[C@@H]1CCCC(=O)N1 bedb645cd02cf4ba33f7f9ae9d17b49b [0,1,0,1,0,0|2,0,0]=4 10016 B13R1.6 O=CCCOC[C@H]1CCCC(=O)N1 80ff815fe078c5349ffed7be602951e2 [0,1,0,1,0,0|2,0,0]=4 10017 B13R1.90 C#CC1CCCCC1OCC(=O)O e1d480ced467f4423152338d4368bb49 [0,1,0,1,0,0|0,0,2]=4 10018 B13R1.90 C#CC1CCCCN1CCC(=O)O 5b5ca44d466e351ef7fc18829787a9c2 [0,1,0,1,0,0|0,0,2]=4 10019 B13R1.90 C#C[C@@H]1CCCC[C@@H]1OCC(=O)O a06fbc203bfb11f7c1d85ce27cc89e82 [0,1,0,1,0,0|0,0,2]=4 10020 B13R1.90 C#C[C@@H]1CCCC[C@H]1OCC(=O)O f5970778e621902677c42d327d332caa [0,1,0,1,0,0|0,0,2]=4 10021 B13R1.90 CC(=O)CCN1CCCCC1C=O ced1815e667028da6b3109ae81158875 [0,1,0,1,0,0|2,0,0]=4 10022 B13R1.90 CCC1CCCCC1OCC(=O)O ce3d996ac59c6f08029f858e9d1a8404 [0,1,0,1,0,0|0,0,2]=4 10023 B13R1.90 CCC1CCCCN1CCC(=O)O 3df5945447bed85da38232ce3e0085fc [0,1,0,1,0,0|0,0,2]=4 10024 B13R1.90 CCN1CCCCC1CCC(=O)O de8ff0f6f7079068957556051851ed66 [0,1,0,1,0,0|0,0,2]=4 10025 B13R1.90 CC[C@@H]1CCCCN1CCC(=O)O 00b39f00d9025efaf3d4d10a299f9de4 [0,1,0,1,0,0|0,0,2]=4 10026 B13R1.90 CC[C@H]1CCCCN1CCC(=O)O 1b19729a0f93fe01bf71930961118d59 [0,1,0,1,0,0|0,0,2]=4 10027 B13R1.90 COC1CCCCC1NCC(=O)O 975f04107a2c787bb775a2b54af62cd0 [0,1,0,1,0,0|1,0,1]=4 10028 B13R1.90 COC1CCCCC1OCC(=O)O f61ac241a8580a93c903a471bb98a413 [0,1,0,1,0,0|1,0,1]=4 10029 B13R1.90 CO[C@H]1CCCC[C@@H]1NCC(=O)O 118274b31352b065578b4466ff582c3d [0,1,0,1,0,0|1,0,1]=4 10030 B13R1.90 CS[C@@H]1CCCC[C@H]1OCC(=O)O 75df391a491205e76c47bad2f4d9b7b8 [0,1,0,1,0,0|1,0,1]=4 10031 B13R1.90 N#CC1CCCCC1NCC(=O)O a948d53ecffbda05ef14c709967ec7cd [0,1,0,1,0,0|1,0,1]=4 10032 B13R1.90 N#CC1CCCCN1CCC(=O)O f191d43f2820467ea8383a0943f79be9 [0,1,0,1,0,0|1,0,1]=4 10033 B13R1.90 N#C[C@@H]1CCCCN1CCC(=O)O fabd441ef9d674d6b6b5f1e05854f973 [0,1,0,1,0,0|1,0,1]=4 10034 B13R1.90 N#C[C@@H]1CCCC[C@@H]1NCC(=O)O 7abf476e832e3e3352623d84683d9acd [0,1,0,1,0,0|1,0,1]=4 10035 B13R1.90 N#C[C@H]1CCCCN1CCC(=O)O 74c1dfdcf9f3770a2b19140913203c1e [0,1,0,1,0,0|1,0,1]=4 10036 B13R1.90 NC(=O)CCN1CCCCC1C=O 2bdb52996097e99f06b2560c1a2d5fa7 [0,1,0,1,0,0|2,0,0]=4 10037 B13R1.90 O=C(O)CCC1CCCCN1CF 8d3a07e0511d4d84386732415c0b31f2 [0,1,0,1,0,0|1,0,1]=4 10038 B13R1.90 O=C(O)CCC1CCCCN1CO 01a33da1b48c2368b34c5d6562162187 [0,1,0,1,0,0|1,0,1]=4 10039 B13R1.90 O=C(O)CCN1CCCCC1CO dbd4e26506004a04355a71856885ebca [0,1,0,1,0,0|1,0,1]=4 10040 B13R1.90 O=C(O)CCN1CCCC[C@@H]1CO b1e55639ecce9b4eac11cad452a25974 [0,1,0,1,0,0|1,0,1]=4 10041 B13R1.90 O=C(O)CCN1CCCC[C@H]1CO b20dfe650006d88be6822a54421a6d13 [0,1,0,1,0,0|1,0,1]=4 10042 B13R1.90 O=C(O)CN[C@@H]1CCCC[C@@H]1CO a28a24876f01d534fa3faf8acf561c8b [0,1,0,1,0,0|1,0,1]=4 10043 B13R1.90 O=C(O)CN[C@@H]1CCCC[C@H]1CO b9618704e824b47225a91ae439a07962 [0,1,0,1,0,0|1,0,1]=4 10044 B13R1.90 O=C(O)CN[C@H]1CCCC[C@H]1CO 696411bdabc64117ef6fa618e5fe34a5 [0,1,0,1,0,0|1,0,1]=4 10045 B13R1.90 O=CC1CCCCN1CCC(=O)O 3b2dcec859cf8a97cedce0ab2c66dc25 [0,1,0,1,0,0|1,0,0]=3 10046 B13R1.103 C#CC1CCCC1OCCC(=O)O 49d42942877b853e969f5d24e9daef54 [0,1,0,1,0,0|0,0,2]=4 10047 B13R1.103 C#CC1CCCN1CCCC(=O)O 2732695119f74c362ff2c0c2a366cefa [0,1,0,1,0,0|0,0,2]=4 10048 B13R1.103 CCC1CCCN1CCCC(=O)O 2e731b2842537942a412306a55bd08f4 [0,1,0,1,0,0|0,0,2]=4 10049 B13R1.103 CC[C@@H]1CCCN1CCCC(=O)O 31070978689590b47e6162baf8a70b50 [0,1,0,1,0,0|0,0,2]=4 10050 B13R1.103 CC[C@@H]1CCC[C@H]1NCCC(=O)O a5b226c516fcd1b9859584a70f60a8c2 [0,1,0,1,0,0|0,0,2]=4 10051 B13R1.103 COC1CCCC1NCCC(=O)O 659a03e6a18f3d5850bf448cd3a7cd0f [0,1,0,1,0,0|1,0,1]=4 10052 B13R1.103 COC1CCCN1CCCC(=O)O 98f29b6580726c9d38010711a52d2bf2 [0,1,0,1,0,0|1,0,1]=4 10053 B13R1.103 CO[C@@H]1CCC[C@@H]1NCCC(=O)O cf828896246b87a82172b8f6aaa0e409 [0,1,0,1,0,0|1,0,1]=4 10054 B13R1.103 CO[C@@H]1CCC[C@H]1NCCC(=O)O 12f51494e9a9eb1b634629902575f91a [0,1,0,1,0,0|1,0,1]=4 10055 B13R1.103 CO[C@H]1CCC[C@@H]1NCCC(=O)O 8aa99ca17d7703d08ed1f2bf917d6e7f [0,1,0,1,0,0|1,0,1]=4 10056 B13R1.103 N#CC1CCCC1OCCC(=O)O 693eeada29275b8c796798514cb2979f [0,1,0,1,0,0|1,0,1]=4 10057 B13R1.103 N#CC1CCCN1CCCC(=O)O 58e825d32a870ac4ef3ebfae8ef2f88c [0,1,0,1,0,0|1,0,1]=4 10058 B13R1.103 N#C[C@@H]1CCCN1CCCC(=O)O 15568929654e68dfb9ef02c600e89443 [0,1,0,1,0,0|1,0,1]=4 10059 B13R1.103 N#C[C@@H]1CCC[C@@H]1NCCC(=O)O 910994c122d193309a442390837f67bb [0,1,0,1,0,0|1,0,1]=4 10060 B13R1.103 N#C[C@@H]1CCC[C@H]1OCCC(=O)O c90fbc8e0060d5d2a2dca538b050b30f [0,1,0,1,0,0|1,0,1]=4 10061 B13R1.103 O=C(O)CCCN1CCCC1CO d3d624f4106e4f2692bc9adb46b71aca [0,1,0,1,0,0|1,0,1]=4 10062 B13R1.103 O=C(O)CCCN1CCC[C@@H]1CF 8e79785cbf6467a762812791605d39a3 [0,1,0,1,0,0|1,0,1]=4 10063 B13R1.103 O=C(O)CCCN1CCC[C@@H]1CO c622cea72d9b2322f4d0f74a16d63f3f [0,1,0,1,0,0|1,0,1]=4 10064 B13R1.103 O=C(O)CCCN1CCC[C@H]1CF efbae0109f7fd858f0db1074dd78ee02 [0,1,0,1,0,0|1,0,1]=4 10065 B13R1.103 O=C(O)CCCN1CCC[C@H]1CO e97946f80337cf5b5a42cc33170e9729 [0,1,0,1,0,0|1,0,1]=4 10066 B13R1.103 O=C(O)CCN[C@H]1CCC[C@H]1CO efbb7a2259bf573f5ef813d3dc2775e2 [0,1,0,1,0,0|1,0,1]=4 10067 B13R1.103 O=CN1CCC[C@H]1COCC(=O)O c73bc06a596961fd7ff4f6fa1ddff09a [0,1,0,1,0,0|2,0,0]=4 10068 B13R1.167 CC(=O)CCCOC1CCC=C1Br 90d814bf06d4681cf3f064c535b23f42 [0,1,0,1,0,0|2,0,0]=4 10069 B13R1.167 CC(=O)CCCOC1CCCC1=O c18ea0efba2cc1d5316ca2ed45ded818 [0,1,0,1,0,0|2,0,0]=4 10070 B13R1.167 CC(=O)CCOCC1CCCC1=O 8a3ffc0f9b15e88807a1779858c29c97 [0,1,0,1,0,0|2,0,0]=4 10071 B13R1.167 CC1CCCC1COCCC(=O)O 16b9f2779489c7c7e8a713b6f75b0ed4 [0,1,0,1,0,0|0,0,2]=4 10072 B13R1.167 CC1CCCC1OCCCC(=O)O 5e40d7cde00a6b7e108959d03a33d7d6 [0,1,0,1,0,0|0,0,2]=4 10073 B13R1.167 CC1CCCN1CCCCC(=O)O 3fcfa4e118495a817317095903fc69d3 [0,1,0,1,0,0|0,0,2]=4 10074 B13R1.167 CN1CCCC1CCNCC(=O)O fd56bee736ae6557da764d75cdd5472b [0,1,0,1,0,0|1,0,1]=4 10075 B13R1.167 CN1CCCC1CCOCC(=O)O 7352a4ab167f77e507d826064efd3fe6 [0,1,0,1,0,0|1,0,1]=4 10076 B13R1.167 CN1CCCC1CNCCC(=O)O 04af2b9e8c486207ebed653aca2a728e [0,1,0,1,0,0|1,0,1]=4 10077 B13R1.167 CN1CCCC1COCCC(=O)O 39383356caedbadfadfb707a75256dd1 [0,1,0,1,0,0|1,0,1]=4 10078 B13R1.167 CN1CCC[C@@H]1CCNCC(=O)O 7d9e4c0de9c94d4b449329ec3d570593 [0,1,0,1,0,0|1,0,1]=4 10079 B13R1.167 CN1CCC[C@@H]1CCOCC(=O)O f0f7246a6ecd9a51f8ad795e8487a005 [0,1,0,1,0,0|1,0,1]=4 10080 B13R1.167 CN1CCC[C@@H]1CNCCC(=O)O 41c3b30bf23b527ac9a577c2fc714ba8 [0,1,0,1,0,0|1,0,1]=4 10081 B13R1.167 CN1CCC[C@@H]1COCCC(=O)O c6f951837a3a78823f0ae6a3f7ace5be [0,1,0,1,0,0|1,0,1]=4 10082 B13R1.167 CN1CCC[C@H]1CCNCC(=O)O 7c447bbfc9f8e32429c3c663bd79935c [0,1,0,1,0,0|1,0,1]=4 10083 B13R1.167 CN1CCC[C@H]1CCOCC(=O)O 02ed723c3d64d3865b0a702a2b606307 [0,1,0,1,0,0|1,0,1]=4 10084 B13R1.167 CN1CCC[C@H]1CNCCC(=O)O a7b88072d64ccb58d0ab5d7224445371 [0,1,0,1,0,0|1,0,1]=4 10085 B13R1.167 CN1CCC[C@H]1COCCC(=O)O c668cd11dd665da8074927e2456cbdfd [0,1,0,1,0,0|1,0,1]=4 10086 B13R1.167 C[C@@H]1CCCN1CCCCC(=O)O 4b12038ffaaaa827e8182706427ec881 [0,1,0,1,0,0|0,0,2]=4 10087 B13R1.167 C[C@@H]1CCC[C@@H]1OCCCC(=O)O 78e1eee664bb45b0b1472584adc5d5e3 [0,1,0,1,0,0|0,0,2]=4 10088 B13R1.167 C[C@@H]1CCC[C@H]1OCCCC(=O)O c650039148aaf5e09f6294a091823911 [0,1,0,1,0,0|0,0,2]=4 10089 B13R1.167 C[C@H]1CCCN1CCCCC(=O)O 4a13c5df6c02724fe25bf0750f0a2ab1 [0,1,0,1,0,0|0,0,2]=4 10090 B13R1.167 C[C@H]1CCC[C@@H]1OCCCC(=O)O ff2677dc9b7f6ac8127375747b8a2c14 [0,1,0,1,0,0|0,0,2]=4 10091 B13R1.167 C[C@H]1CCC[C@H]1OCCCC(=O)O d174c1108a7d1608f5f07c5ec0e3faa4 [0,1,0,1,0,0|0,0,2]=4 10092 B13R1.167 NC(=O)CCCOC1CCCC1=O a04b1c06f589320ba458a711b71707f1 [0,1,0,1,0,0|2,0,0]=4 10093 B13R1.167 NC(=O)CCOCC1CCCC1=O cc531efd28248211c98996dfcea0e7dd [0,1,0,1,0,0|2,0,0]=4 10094 B13R1.167 O=C(O)CCCCN1CCCC1O 5571fbec82c85e8f9e95216b47d44dae [0,1,0,1,0,0|1,0,1]=4 10095 B13R1.167 O=C(O)CCCNC1CCCC1O 657556061cb0e72b40a888e8a1a1f4a3 [0,1,0,1,0,0|1,0,1]=4 10096 B13R1.167 O=C(O)CCCNC1CCNC1=O 8437f04b4a183f0f591e7e0676b13612 [0,1,0,1,0,0|2,0,0]=4 10097 B13R1.167 O=C(O)CCCNC1CCSC1=O 729bf1ad59248c36b4285d0475add535 [0,1,0,1,0,0|2,0,0]=4 10098 B13R1.167 O=C(O)CCCN[C@@H]1CCC[C@@H]1O 3e9c16d0e5e500384e3d4576608fd371 [0,1,0,1,0,0|1,0,1]=4 10099 B13R1.167 O=C(O)CCCN[C@@H]1CCC[C@H]1O 30b0f6ebffbb13271eae6ae3dd71b350 [0,1,0,1,0,0|1,0,1]=4 10100 B13R1.167 O=C(O)CCCN[C@@H]1CCNC1=O 5afcee8b5bcf43403379c7456d5fa1b7 [0,1,0,1,0,0|2,0,0]=4 10101 B13R1.167 O=C(O)CCCN[C@H]1CCC[C@@H]1O 613cb2a520fdb40f774cf331fdfc5e4d [0,1,0,1,0,0|1,0,1]=4 10102 B13R1.167 O=C(O)CCCN[C@H]1CCC[C@H]1O f7f646cb2c69386b0ce363f3dc6ccf94 [0,1,0,1,0,0|1,0,1]=4 10103 B13R1.167 O=C(O)CCCN[C@H]1CCNC1=O 286eb0231216e630b381755ac7e79cb5 [0,1,0,1,0,0|2,0,0]=4 10104 B13R1.167 O=C(O)CCCO[C@@H]1CCC[C@H]1F ed276dcd57da74e6e91954f1bedce241 [0,1,0,1,0,0|1,0,1]=4 10105 B13R1.167 O=C(O)CCNCC1CCCC1O 803e3f07405606d246fa6c4b3dd8973d [0,1,0,1,0,0|1,0,1]=4 10106 B13R1.167 O=C(O)CCNCC1CCNC1=O 4f2f51f835fdfcd38a5da0abf6312136 [0,1,0,1,0,0|2,0,0]=4 10107 B13R1.167 O=C(O)CCNCN1CCCC1=O 8dcb0fcaff34072913c4e2e6dbad81fb [0,1,0,1,0,0|2,0,0]=4 10108 B13R1.167 O=C(O)CCOCC1CCCC1=O d4e48e31b5693f3afb0ec70670a20e36 [0,1,0,1,0,0|1,0,0]=3 10109 B13R1.167 O=C(O)CCOCC1CCNC1=O a9f073cf62a51f4256f76599b494b691 [0,1,0,1,0,0|2,0,0]=4 10110 B13R1.167 O=C(O)CCOCN1CCCC1=O c2233d4c0a2227c86a5c7467eb508105 [0,1,0,1,0,0|2,0,0]=4 10111 B13R1.167 O=C(O)CCOC[C@@H]1CCC[C@H]1F 71d6cd9bda382642434107912c45a8ff [0,1,0,1,0,0|1,0,1]=4 10112 B13R1.167 O=C(O)CNCCC1CCNC1=O 80f4dd0556748c33fd5dfbacad646da4 [0,1,0,1,0,0|2,0,0]=4 10113 B13R1.167 O=C(O)CNCCN1CCCC1=O d3a1b42f7b5e16d3e4619f6fa7e289a7 [0,1,0,1,0,0|2,0,0]=4 10114 B13R1.167 O=C(O)COCCC1CCNC1=O cfd5a5134a95bcca05c05de92199a20c [0,1,0,1,0,0|2,0,0]=4 10115 B13R1.167 O=C(O)COCCN1CCCC1=O c400550534cfc5a29702a9fc731b77af [0,1,0,1,0,0|2,0,0]=4 10116 B13R1.193 C=CCCCNC1CCCC1(C)O aeef40b5baf44486a7df52053520e349 [0,1,0,1,0,0|1,0,1]=4 10117 B13R1.193 C=CCCCN[C@@H]1CCC[C@@]1(C)O 11406cc05f1a35655d3747cacd0e6a0f [0,1,0,1,0,0|1,0,1]=4 10118 B13R1.193 C=CCCCN[C@H]1CCC[C@]1(C)O 703815bf5138a29eac1f93f32d3eb56d [0,1,0,1,0,0|1,0,1]=4 10119 B13R1.193 C=CCCOCC1CCCS1(=O)=O 235a41d6c3b73c47d2ea9d9d7f90de20 [0,1,0,1,0,0|1,0,1]=4 10120 B13R1.218 COCC1CCN1CCCC(=O)O f2cdf0f0a6114b33a3cc76603a2761f8 [0,1,0,1,0,0|1,0,1]=4 10121 B13R1.218 COC[C@@H]1CCN1CCCC(=O)O 7e379022d093745b6570459b799eee96 [0,1,0,1,0,0|1,0,1]=4 10122 B13R1.218 COC[C@H]1CCN1CCCC(=O)O 79fcfccb898ef1394b406b8688fa94d4 [0,1,0,1,0,0|1,0,1]=4 10123 B13R1.218 O=C(O)CCCN1CCC1CCO 49c92d1ae334188f913600b796dc7f77 [0,1,0,1,0,0|1,0,1]=4 10124 B13R1.224 C#CCN1CCCCCC1C(=O)O cf470a5a309704ab3118dfe937049c89 [0,1,0,1,0,0|0,0,2]=4 10125 B13R1.224 C#CCN1CCCCC[C@@H]1C(=O)O 6ae7e2d0fe6e3b7648f320a79d421e69 [0,1,0,1,0,0|0,0,2]=4 10126 B13R1.224 C#CCN1CCCCC[C@H]1C(=O)O 17853d76aa33b52408f4774f4c9a7eee [0,1,0,1,0,0|0,0,2]=4 10127 B13R1.224 C=CCN1CCCCCC1C(=O)O 52782a65e2c59411f8c6c457cbacd893 [0,1,0,1,0,0|0,0,0]=2 10128 B13R1.224 C=CCN1CCCCC[C@@H]1C(=O)O e0b3c3aa3c9a2557875ddc5214194895 [0,1,0,1,0,0|0,0,0]=2 10129 B13R1.224 C=CCN1CCCCC[C@H]1C(=O)O 297a1da05ee811f011796863f4169ac1 [0,1,0,1,0,0|0,0,0]=2 10130 B13R1.224 C=CCN1CCCOCC1C(=O)O a45752f12b9679eb95706baec432ca69 [0,1,0,1,0,0|1,0,0]=3 10131 B13R1.224 CCCN1CCCCCC1C(=O)O 9cde5800c737fb793388021fe86bffeb [0,1,0,1,0,0|0,0,2]=4 10132 B13R1.224 CCCN1CCCCC[C@@H]1C(=O)O 20d4334221962889fe3c3201c63574e4 [0,1,0,1,0,0|0,0,2]=4 10133 B13R1.224 CCCN1CCCCC[C@H]1C(=O)O 506d9c2aecf971b754b046056f7f351a [0,1,0,1,0,0|0,0,2]=4 10134 B13R1.224 COCN1CCCCCC1C(=O)O b4744f736d2ec7a68aabd7d006d32144 [0,1,0,1,0,0|1,0,1]=4 10135 B13R1.224 COCN1CCCCC[C@@H]1C(=O)O 35e986ccfbe08fc178a33a0e7e5483ba [0,1,0,1,0,0|1,0,1]=4 10136 B13R1.224 COCN1CCCCC[C@H]1C(=O)O 4b33b1ef22488921af9b407812190d2d [0,1,0,1,0,0|1,0,1]=4 10137 B13R1.224 CSCN1CCCCCC1C(=O)O d61de447b0e1553fd45ce31e6b50e3b7 [0,1,0,1,0,0|1,0,1]=4 10138 B13R1.224 CSCN1CCCCC[C@@H]1C(=O)O 0343d7776f883de5d0fd5e957d3bf21c [0,1,0,1,0,0|1,0,1]=4 10139 B13R1.224 CSCN1CCCCC[C@H]1C(=O)O f5d60aca5b16192caee587c65bb54848 [0,1,0,1,0,0|1,0,1]=4 10140 B13R1.224 N#CCN1CCCCCC1C(=O)O c652bd2eda3f80f5900fbc5d2864863e [0,1,0,1,0,0|1,0,1]=4 10141 B13R1.224 N#CCN1CCCCC[C@@H]1C(=O)O 064188d2d2a7e6c6938ccfb3b878a393 [0,1,0,1,0,0|1,0,1]=4 10142 B13R1.224 N#CCN1CCCCC[C@H]1C(=O)O db55be1c5709a41de8912fa6a18d6acb [0,1,0,1,0,0|1,0,1]=4 10143 B13R1.224 O=C(O)C1CCCCCN1CCF 6a63a5624c8db1807262c1c0aac3489b [0,1,0,1,0,0|1,0,1]=4 10144 B13R1.224 O=C(O)C1CCCCCN1CCO 0c86c2f35eb80614835bafe6c5aa304e [0,1,0,1,0,0|1,0,1]=4 10145 B13R1.224 O=C(O)C1CCCCCN1CCS 9fb6b7da19f8d5cda47370b835f672ca [0,1,0,1,0,0|1,0,1]=4 10146 B13R1.224 O=C(O)[C@@H]1CCCCCN1CCF b6925ddfc4b2befc783bf51090af2da2 [0,1,0,1,0,0|1,0,1]=4 10147 B13R1.224 O=C(O)[C@@H]1CCCCCN1CCO af762c973c1263409d63ffa05e4aa5a9 [0,1,0,1,0,0|1,0,1]=4 10148 B13R1.224 O=C(O)[C@@H]1CCCCCN1CCS 615e07ec15c993bc66b1754e2e8f2ae6 [0,1,0,1,0,0|1,0,1]=4 10149 B13R1.224 O=C(O)[C@H]1CCCCCN1CCF 4781c7f95a853cb28d2c57d9929e023d [0,1,0,1,0,0|1,0,1]=4 10150 B13R1.224 O=C(O)[C@H]1CCCCCN1CCO e6eaf4ac64926d773d6a24c5ac38b4c6 [0,1,0,1,0,0|1,0,1]=4 10151 B13R1.224 O=C(O)[C@H]1CCCCCN1CCS 36d6a1903ac5f8a6fb781a0b22215a27 [0,1,0,1,0,0|1,0,1]=4 10152 B13R1.224 O=CCN1CCCCCC1C(=O)O bb1fb64df07595359d0c40a0a51d4c6e [0,1,0,1,0,0|1,0,0]=3 10153 B13R1.224 O=CCN1CCCCC[C@@H]1C(=O)O 3cce895b8a70ba39b8d426d70269711f [0,1,0,1,0,0|1,0,0]=3 10154 B13R1.224 O=CCN1CCCCC[C@H]1C(=O)O 0600f13650f8407a448b8ec9491ff9d0 [0,1,0,1,0,0|1,0,0]=3 10155 B13R1.224 O=CCN1CCCOCC1C(=O)O 5f53c7d532c65bd5020e54b36df5b098 [0,1,0,1,0,0|2,0,0]=4 10156 B13R1.343 C=C(C)CCCOCC1C=CCC1 c739a5db3c293007cfe085f40bf00fde [0,1,0,1,0,0|2,0,0]=4 10157 B13R1.343 CC(=O)CCCCCN1CC=CC1 3850992e48b3f090c5bc817e10bd0ed8 [0,1,0,1,0,0|2,0,0]=4 10158 B13R1.343 CC(=O)CCCCNC1CC=CC1 0d1d19a2d6117696cecec6babba8ae4b [0,1,0,1,0,0|2,0,0]=4 10159 B13R1.343 CC(=O)CCCCOC1C=CCC1 96399c6ad8e14940693185d77b4bb08f [0,1,0,1,0,0|1,0,0]=3 10160 B13R1.343 CC(=O)CCCCOC1CC=CC1 5681474f7af76511a9aa7b5bed472e96 [0,1,0,1,0,0|2,0,0]=4 10161 B13R1.343 CC(=O)CCCNCC1CC=CC1 9395cc8ced66edc5b10c80053ca544c3 [0,1,0,1,0,0|2,0,0]=4 10162 B13R1.343 CC(=O)CCCOCC1C=CCC1 47ca2766a3249ea90a4d693ae043d5d8 [0,1,0,1,0,0|1,0,0]=3 10163 B13R1.343 CC(=O)CCCOCC1CC=CC1 ef8b9ea7a87f7bed3d0aa3eea9340635 [0,1,0,1,0,0|2,0,0]=4 10164 B13R1.343 CC(=O)NCCCOC1C=CCC1 ea0d74d1193b0bd8a1a68b304363a389 [0,1,0,1,0,0|2,0,0]=4 10165 B13R1.343 CC(=O)NCCOCC1C=CCC1 d0152f8af557961f138fad491acc4329 [0,1,0,1,0,0|2,0,0]=4 10166 B13R1.343 CC(=O)OCCCOC1C=CCC1 71a84c094d729d594707bbcc0d96de54 [0,1,0,1,0,0|2,0,0]=4 10167 B13R1.343 CC(=O)OCCOCC1C=CCC1 0f97aec6c60fbe192660d29ea46f2c41 [0,1,0,1,0,0|2,0,0]=4 10168 B13R1.343 CC(=O)SCCCOC1C=CCC1 6d4df872cb4cb88c6b21779b8934da55 [0,1,0,1,0,0|2,0,0]=4 10169 B13R1.343 CC(=O)SCCOCC1C=CCC1 2bce7a219e367d358d160ac49eaebd78 [0,1,0,1,0,0|2,0,0]=4 10170 B13R1.343 NC(=O)CCCCCN1CC=CC1 c29432ca282f835911068b3556a015e0 [0,1,0,1,0,0|2,0,0]=4 10171 B13R1.343 NC(=O)CCCCNC1CC=CC1 817e2de6749ee7fef55ef3102e97e05f [0,1,0,1,0,0|2,0,0]=4 10172 B13R1.343 NC(=O)CCCCOC1C=CCC1 f23a3db58c8cb89ca80108a63449b2c7 [0,1,0,1,0,0|1,0,0]=3 10173 B13R1.343 NC(=O)CCCCOC1CC=CC1 dc0cc6093d13f052e57ffb36190327d6 [0,1,0,1,0,0|2,0,0]=4 10174 B13R1.343 NC(=O)CCCNCC1CC=CC1 301b08aa9a93e8ed9f3bc842fc17f981 [0,1,0,1,0,0|2,0,0]=4 10175 B13R1.343 NC(=O)CCCOCC1C=CCC1 32b18663938760d3af721e5b29db6361 [0,1,0,1,0,0|1,0,0]=3 10176 B13R1.343 NC(=O)CCCOCC1CC=CC1 67ce137708dfa4a7d39b2d5fb04302ba [0,1,0,1,0,0|2,0,0]=4 10177 B13R1.343 NC(=O)COCCOC1C=CCC1 63f27f621572cf2fef317b6ae2c12378 [0,1,0,1,0,0|2,0,0]=4 10178 B13R1.343 NC(=O)NCCOCC1C=CCC1 7e8d284773e24ace75fde67f2dcc452b [0,1,0,1,0,0|2,0,0]=4 10179 B13R1.343 O=C(O)/C=C/COCC1C=CCC1 4574451716ab9abbadfb4abc90626606 [0,1,0,1,0,0|0,0,2]=4 10180 B13R1.343 O=C(O)C=CCOCC1C=CCC1 5d10253ae4afc5e0be60128a54d0e5ba [0,1,0,1,0,0|0,0,2]=4 10181 B13R1.343 O=C(O)CCCCCN1CC=CC1 c245190f0bdd15ccb3a1c3d89da01065 [0,1,0,1,0,0|1,0,0]=3 10182 B13R1.343 O=C(O)CCCCCN1CCSC1 d388a3eef08e6d9c4e1b23db10b71266 [0,1,0,1,0,0|1,0,1]=4 10183 B13R1.343 O=C(O)CCCCNC1CC=CC1 6c741055d058a25c3af68ea35ccd5228 [0,1,0,1,0,0|1,0,0]=3 10184 B13R1.343 O=C(O)CCCCNC1CCCC1 735469e0242df960af5be4dfc3a741a9 [0,1,0,1,0,0|0,0,2]=4 10185 B13R1.343 O=C(O)CCCCNC1CCOC1 37c45eb3ce23263a7d0111878694c104 [0,1,0,1,0,0|1,0,1]=4 10186 B13R1.343 O=C(O)CCCCNC1CCSC1 e06a24275ab45c3cd1e9e9f5776daac7 [0,1,0,1,0,0|1,0,1]=4 10187 B13R1.343 O=C(O)CCCCN[C@@H]1CCOC1 b880ff1db614eceffd4473d04eef5e3c [0,1,0,1,0,0|1,0,1]=4 10188 B13R1.343 O=C(O)CCCCN[C@H]1CCOC1 dcd6b52cc4c7b60dcf96d2d99f4f133a [0,1,0,1,0,0|1,0,1]=4 10189 B13R1.343 O=C(O)CCCCOC1C=CCC1 6c8a9738e0043fdbc5a92225d6bbc613 [0,1,0,1,0,0|0,0,0]=2 10190 B13R1.343 O=C(O)CCCCOC1CC=CC1 acdbde9f5c2f09e667c77077367b6e52 [0,1,0,1,0,0|1,0,0]=3 10191 B13R1.343 O=C(O)CCCCOC1CCCC1 1b330a71d363df41265fa673af9c1dd6 [0,1,0,1,0,0|0,0,2]=4 10192 B13R1.343 O=C(O)CCCNCC1CC=CC1 f5ae77be84e7d4e73dc567a30463636d [0,1,0,1,0,0|1,0,0]=3 10193 B13R1.343 O=C(O)CCCNCC1CCCC1 ada08880c6e87950d27981a3d654282a [0,1,0,1,0,0|0,0,2]=4 10194 B13R1.343 O=C(O)CCCNCC1CCCO1 e6e551e720cf46a90b98e74885c329e6 [0,1,0,1,0,0|1,0,1]=4 10195 B13R1.343 O=C(O)CCCNCC1CCOC1 513335342622d143e731f934fe350f02 [0,1,0,1,0,0|1,0,1]=4 10196 B13R1.343 O=C(O)CCCNC[C@@H]1CCCO1 85b83bcbc7cb84d48d83148fe1f25498 [0,1,0,1,0,0|1,0,1]=4 10197 B13R1.343 O=C(O)CCCNC[C@@H]1CCOC1 a45f93c9a76611559127742fbeb6b5b6 [0,1,0,1,0,0|1,0,1]=4 10198 B13R1.343 O=C(O)CCCNC[C@H]1CCCO1 44486b9b58eec7ccd9aeff50cc11b2fc [0,1,0,1,0,0|1,0,1]=4 10199 B13R1.343 O=C(O)CCCNC[C@H]1CCOC1 909a2fe704794b01fdad235e862758cd [0,1,0,1,0,0|1,0,1]=4 10200 B13R1.343 O=C(O)CCCOCC1C=CCC1 482bc6eec1507d84715c029be1ea5d76 [0,1,0,1,0,0|0,0,0]=2 10201 B13R1.343 O=C(O)CCCOCC1CC=CC1 5846d96cf57abf0b59062abfdf1a0389 [0,1,0,1,0,0|1,0,0]=3 10202 B13R1.343 O=C(O)CCCOCC1CCCC1 389779b85e65edeac6411413c4e1dca2 [0,1,0,1,0,0|0,0,2]=4 10203 B13R1.343 O=C(O)CCCOCC1CCOC1 30391690e06c2d3a1ab9f92fd1c6d669 [0,1,0,1,0,0|1,0,1]=4 10204 B13R1.343 O=C(O)CCCOC[C@@H]1CCOC1 3fc5b7e3e5c0b2cd0f1c751cc105c892 [0,1,0,1,0,0|1,0,1]=4 10205 B13R1.343 O=C(O)CCCOC[C@H]1CCOC1 f4783c69ba0ba126611d99b01430cd7c [0,1,0,1,0,0|1,0,1]=4 10206 B13R1.343 O=C(O)CCNCCC1CCCC1 b0f35ead0a958a777deb6d6737eedc10 [0,1,0,1,0,0|0,0,2]=4 10207 B13R1.343 O=C(O)CCNCCC1CCCO1 dc61e55d1bef64c8f1ee643440c047a5 [0,1,0,1,0,0|1,0,1]=4 10208 B13R1.343 O=C(O)CCNCCC1CCOC1 a3d188e657857271e039f629704a0e7e [0,1,0,1,0,0|1,0,1]=4 10209 B13R1.343 O=C(O)CCOCCC1CCCC1 5cd1f12c4f5011b29ae61261df59757e [0,1,0,1,0,0|0,0,2]=4 10210 B13R1.343 O=C(O)CCOCCC1CCCO1 d5b2e1b04dcec9039f08f62b78258d52 [0,1,0,1,0,0|1,0,1]=4 10211 B13R1.343 O=C(O)CCOCCC1CCOC1 ac650b5fbb74745f5ddedd44ab7535bd [0,1,0,1,0,0|1,0,1]=4 10212 B13R1.343 O=C(O)CCOCCN1CC=CC1 42d0313b7ae1214616e744d649c1a3ab [0,1,0,1,0,0|2,0,0]=4 10213 B13R1.343 O=C(O)CNCCCC1CCCC1 d05960260f3a30c09ba8835387922d86 [0,1,0,1,0,0|0,0,2]=4 10214 B13R1.343 O=C(O)CNCCCC1CCOC1 9d3d25120607d6cf2e4eb287138ca028 [0,1,0,1,0,0|1,0,1]=4 10215 B13R1.343 O=C(O)COCCCC1CCCC1 80be45ce70b57c2dcfe5873dba5fb429 [0,1,0,1,0,0|0,0,2]=4 10216 B13R1.343 O=C(O)COCCCN1CC=CC1 33af50f7fb2f4acb0ab9952a013a977d [0,1,0,1,0,0|2,0,0]=4 10217 B13R1.343 O=C(O)COCCNC1CC=CC1 c3463839b4b3370c6c7a532c623f476a [0,1,0,1,0,0|2,0,0]=4 10218 B13R1.343 O=C(O)COCCOC1C=CCC1 5fc77b305c526d45f6863cff77c97bc8 [0,1,0,1,0,0|1,0,0]=3 10219 B13R1.343 O=C(O)COCCOC1CC=CC1 33d2b71cb5110a557814f6445ee79ee0 [0,1,0,1,0,0|2,0,0]=4 10220 B13R1.343 O=[N+]([O-])CCCOCC1C=CCC1 365bfe315f5d1c2df3c383567a468a28 [0,1,0,1,0,0|1,0,1]=4 10221 B13R1.362 C#CCCCCNCC1CC(=O)O1 6c91ff3f9c6705ec0f78489376c9729e [0,1,0,1,0,0|0,0,2]=4 10222 B13R1.362 C#CCCCCOCC1CC(=O)O1 f9251f63a13817922b6aa7230bc11fa6 [0,1,0,1,0,0|0,0,2]=4 10223 B13R1.362 C/C=C/CCCOCC1CC(=O)C1 31d7a443f82e661489d06cf82bb01885 [0,1,0,1,0,0|2,0,0]=4 10224 B13R1.362 C/C=C/CCCOCC1CC(=O)N1 d4ca9e5bfeeed1dcc7b120ff3253ce42 [0,1,0,1,0,0|2,0,0]=4 10225 B13R1.362 C/C=C/CCCOCC1CC(=O)O1 9b7e8ab169850e3772127e9b1cc9311c [0,1,0,1,0,0|1,0,0]=3 10226 B13R1.362 C/C=C\CCCOCC1CC(=O)C1 d3140d15aa8defa4c3b65843a4ddcb27 [0,1,0,1,0,0|2,0,0]=4 10227 B13R1.362 C/C=C\CCCOCC1CC(=O)N1 0afe2733cfc469ce2cd278c52f93415c [0,1,0,1,0,0|2,0,0]=4 10228 B13R1.362 C/C=C\CCCOCC1CC(=O)O1 385c5d2ffaff7daae9a92f402fd4d17e [0,1,0,1,0,0|1,0,0]=3 10229 B13R1.362 C/C=C\CCCOC[C@@H]1CC(=O)N1 4c8e623845ebfb2b7537371902694825 [0,1,0,1,0,0|2,0,0]=4 10230 B13R1.362 C/C=C\CCCOC[C@H]1CC(=O)N1 3842dafb4e890d5ca329c973431e6a80 [0,1,0,1,0,0|2,0,0]=4 10231 B13R1.362 C=C/C=C/CCNCC1CC(=O)O1 01345dab2735a2381f5f9e3a30b2fa2c [0,1,0,1,0,0|0,0,2]=4 10232 B13R1.362 C=CCCCCCCN1CC(C1)O 558f8abeb89e27f54c72b23d9c271d57 [0,1,0,1,0,0|1,0,1]=4 10233 B13R1.362 C=CCCCCCNC1CC(=O)C1 bf5d9b1662903033abb172b1d6bab98c [0,1,0,1,0,0|1,0,0]=3 10234 B13R1.362 C=CCCCCCNC1CC(C1)O a009e12286bce9f0327c4d50300e3fe4 [0,1,0,1,0,0|1,0,1]=4 10235 B13R1.362 C=CCCCCCN[C@H]1C[C@@H](C1)O a72b5fa844291d342b1e13c264f0e2f1 [0,1,0,1,0,0|1,0,1]=4 10236 B13R1.362 C=CCCCCCN[C@H]1C[C@H](C1)O d5fdccd640831890e19e6c7cb9392bbb [0,1,0,1,0,0|1,0,1]=4 10237 B13R1.362 C=CCCCCCOC1CC(=O)C1 5de0069a2052af50aa93c06aeef4034b [0,1,0,1,0,0|1,0,0]=3 10238 B13R1.362 C=CCCCCNCC1CC(=C)C1 ac2beaee08255b8b66965efc24a03efe [0,1,0,1,0,0|2,0,0]=4 10239 B13R1.362 C=CCCCCNCC1CC(=O)C1 12e175a22281a2f17cefdd1da51457e4 [0,1,0,1,0,0|1,0,0]=3 10240 B13R1.362 C=CCCCCNCC1CC(=O)N1 90085f088b4fbb4bca8932d2d600b486 [0,1,0,1,0,0|1,0,0]=3 10241 B13R1.362 C=CCCCCNCC1CC(=O)O1 31d2781095867703b62099e15af365b3 [0,1,0,1,0,0|0,0,0]=2 10242 B13R1.362 C=CCCCCNCC1CC(C1)O 6f8e46830dfc55d61512934f95a3d5be [0,1,0,1,0,0|1,0,1]=4 10243 B13R1.362 C=CCCCCNC[C@H]1C[C@@H](C1)O 0f22ff65fc099a0423b37b3fdf47b5d0 [0,1,0,1,0,0|1,0,1]=4 10244 B13R1.362 C=CCCCCNC[C@H]1C[C@H](C1)O 022cf8fc3408d9e0ba77faf362df51ce [0,1,0,1,0,0|1,0,1]=4 10245 B13R1.362 C=CCCCCOCC1CC(=C)C1 7c0032004a96e77f512daaccbeac58ca [0,1,0,1,0,0|2,0,0]=4 10246 B13R1.362 C=CCCCCOCC1CC(=O)C1 396838f6599977e3537b7fe58392d266 [0,1,0,1,0,0|1,0,0]=3 10247 B13R1.362 C=CCCCCOCC1CC(=O)N1 48766adf45b93ea24f0b4b6d82d637c4 [0,1,0,1,0,0|1,0,0]=3 10248 B13R1.362 C=CCCCCOCC1CC(=O)O1 66d8cbfcdc517e863a20b112704f094a [0,1,0,1,0,0|0,0,0]=2 10249 B13R1.362 C=CCCCCOC[C@@H]1CC(=O)N1 75e3964ca3b88c17a9c95f8ebc98f27c [0,1,0,1,0,0|1,0,0]=3 10250 B13R1.362 C=CCCCCOC[C@H]1CC(=O)N1 1cbb6e604da0266b2c1edb8ee14ed214 [0,1,0,1,0,0|1,0,0]=3 10251 B13R1.362 C=CCOCCOCC1CC(=O)C1 9706628b91654abff419284342c3c5fa [0,1,0,1,0,0|2,0,0]=4 10252 B13R1.362 C=CCOCCOCC1CC(=O)N1 51b2b66e26a1bdd3f7541f077e59ea0a [0,1,0,1,0,0|2,0,0]=4 10253 B13R1.362 C=CCOCCOCC1CC(=O)O1 f4a6dc636d0ad438e821acebee2da3ac [0,1,0,1,0,0|1,0,0]=3 10254 B13R1.362 C=CCOCCOC[C@@H]1CC(=O)N1 3f73491195beef1808ff3862db700ba7 [0,1,0,1,0,0|2,0,0]=4 10255 B13R1.362 C=CCOCCOC[C@H]1CC(=O)N1 974457735d63b7048578329c57c891a4 [0,1,0,1,0,0|2,0,0]=4 10256 B13R1.362 C=COCCCCOC1CC(=O)C1 767d2b712e38492fc620854472d5ab15 [0,1,0,1,0,0|2,0,0]=4 10257 B13R1.362 C=COCCCNCC1CC(=O)C1 17597d71d0a805af205120e5d90b1004 [0,1,0,1,0,0|2,0,0]=4 10258 B13R1.362 C=COCCCNCC1CC(=O)N1 686afee856fcf64cf1dd05d72ec6cd68 [0,1,0,1,0,0|2,0,0]=4 10259 B13R1.362 C=COCCCNCC1CC(=O)O1 c47e932f26b6c249ba4f122abcdb0043 [0,1,0,1,0,0|1,0,0]=3 10260 B13R1.362 CC=CCCCOCC1CC(=O)C1 c56758d768399dcd68693a8082d36f7c [0,1,0,1,0,0|2,0,0]=4 10261 B13R1.362 CC=CCCCOCC1CC(=O)N1 8d66799be2b5d9fda6a3c621724dcc65 [0,1,0,1,0,0|2,0,0]=4 10262 B13R1.362 CC=CCCCOCC1CC(=O)O1 a8f4ba77c90d286d6ef0295f697adc22 [0,1,0,1,0,0|1,0,0]=3 10263 B13R1.362 CCCCCCNCC1CC(=O)O1 510e1e89603d1aea7a4403c60683e259 [0,1,0,1,0,0|0,0,2]=4 10264 B13R1.362 CCCCCCOCC1CC(=O)O1 3b0794138c390a4fb98b9451ce4ba1f6 [0,1,0,1,0,0|0,0,2]=4 10265 B13R1.362 COCCCCNCC1CC(=O)O1 c8525b2e681405fd245c3b8aa855d0a8 [0,1,0,1,0,0|1,0,1]=4 10266 B13R1.362 COCCCCOCC1CC(=O)O1 505f4f7a22ac3f355852ca8cd7c6087d [0,1,0,1,0,0|1,0,1]=4 10267 B13R1.362 CSCCCCNCC1CC(=O)O1 27f32320c57d9b72e6b390ee641bd046 [0,1,0,1,0,0|1,0,1]=4 10268 B13R1.362 CSCCCCOCC1CC(=O)O1 92095a22176d876e0ffd71ecb8c5a34c [0,1,0,1,0,0|1,0,1]=4 10269 B13R1.362 N#CCCCCNCC1CC(=O)O1 384e4348b8068ffd731e131ce3847c79 [0,1,0,1,0,0|1,0,1]=4 10270 B13R1.362 N#CCCCCOCC1CC(=O)O1 32772d54ccde36c4ea4393e09b74365f [0,1,0,1,0,0|1,0,1]=4 10271 B13R1.362 O=C1CC(O1)CNCCCCCCl 2b6ef48987976746a3e79f475343b56b [0,1,0,1,0,0|1,0,1]=4 10272 B13R1.362 O=C1CC(O1)CNCCCCCO 736eefd688ad3b74a912900cdf160dfb [0,1,0,1,0,0|1,0,1]=4 10273 B13R1.362 O=CCCCCCOC1CC(=O)C1 24a00b23fd92c23edf86a23863252560 [0,1,0,1,0,0|2,0,0]=4 10274 B13R1.362 O=CCCCCOCC1CC(=O)C1 5424a5167f10eb44b838913fdc3117a4 [0,1,0,1,0,0|2,0,0]=4 10275 B13R1.362 O=CCCCCOCC1CC(=O)N1 b52c477f95b0a6e37f41a13ab7766b7d [0,1,0,1,0,0|2,0,0]=4 10276 B13R1.362 O=CCCCCOCC1CC(=O)O1 cc27d02eaae701f5d688224ce7698e80 [0,1,0,1,0,0|1,0,0]=3 10277 B13R1.362 O=CCCCCOC[C@@H]1CC(=O)N1 14d155bdbd0a35c1f70164ca2aeda1e7 [0,1,0,1,0,0|2,0,0]=4 10278 B13R1.362 O=CCCCCOC[C@H]1CC(=O)N1 6a01f20b5ce0fbf3f6b1883897e8972e [0,1,0,1,0,0|2,0,0]=4 10279 B13R1.362 O=CCOCCOCC1CC(=O)O1 6e4b7dfac3862af74c3da592d4401a9f [0,1,0,1,0,0|2,0,0]=4 10280 B13R1.380 C#CCN1CCCCC1CC(=O)O f2e0cde7352a31aede8148fc8162f90a [0,1,0,1,0,0|0,0,2]=4 10281 B13R1.380 C#CCN1CCCC[C@H]1CC(=O)O 1f63b23d84acf4019e05a8446f18b56c [0,1,0,1,0,0|0,0,2]=4 10282 B13R1.380 C=CCN1CCCCC1CC(=O)N a25ad7342f41593d36e7361807aef76c [0,1,0,1,0,0|1,0,0]=3 10283 B13R1.380 C=CCN1CCCCC1CC(=O)O ccac8ec5141bb26734b79b4eaf6802da [0,1,0,1,0,0|0,0,0]=2 10284 B13R1.380 C=CCN1CCCC[C@@H]1CC(=O)N ec92ef5a9eb0aca7802a8327ed153037 [0,1,0,1,0,0|1,0,0]=3 10285 B13R1.380 C=CCN1CCCC[C@H]1CC(=O)N 51cfc6b396749b2230a67302af856d4c [0,1,0,1,0,0|1,0,0]=3 10286 B13R1.380 C=CCN1CCCC[C@H]1CC(=O)O 5c31d2bffdb823156a02305c403f25b2 [0,1,0,1,0,0|0,0,0]=2 10287 B13R1.380 C=CCN1CCOCC1CC(=O)O 3f88767095e312003e5840f9dda30001 [0,1,0,1,0,0|1,0,0]=3 10288 B13R1.380 CCCN1CCCCC1CC(=O)O a2af3532eea15f8fcb0d76a12e2664f9 [0,1,0,1,0,0|0,0,2]=4 10289 B13R1.380 CCCN1CCCC[C@H]1CC(=O)O 5d778f9ac6c8ecb4df13a7fcba65d3fc [0,1,0,1,0,0|0,0,2]=4 10290 B13R1.380 COCC1CCCCN1CC(=O)O 25c476816b0406b6057d2072a82bc9a7 [0,1,0,1,0,0|1,0,1]=4 10291 B13R1.380 COCN1CCCCC1CC(=O)O 5ee43be9918671aa4bab95718fd014c4 [0,1,0,1,0,0|1,0,1]=4 10292 B13R1.380 COCN1CCCC[C@H]1CC(=O)O f4927aaf204dd5ae919aa711bdcfd4a4 [0,1,0,1,0,0|1,0,1]=4 10293 B13R1.380 CSCN1CCCCC1CC(=O)O 8697ed3de9874643bc63f625d767c7eb [0,1,0,1,0,0|1,0,1]=4 10294 B13R1.380 CSCN1CCCC[C@H]1CC(=O)O 014882c6d20788246327d4c4c7829899 [0,1,0,1,0,0|1,0,1]=4 10295 B13R1.380 N#CCC1CCCCN1CC(=O)O 9120594bbfecb8f2da272dacf4ca73ba [0,1,0,1,0,0|1,0,1]=4 10296 B13R1.380 N#CCN1CCCCC1CC(=O)O 352598bda49cd894c8e9cd664fb0f661 [0,1,0,1,0,0|1,0,1]=4 10297 B13R1.380 N#CCN1CCCC[C@H]1CC(=O)O 3211b23b003deb6dd877941225f8013c [0,1,0,1,0,0|1,0,1]=4 10298 B13R1.380 NC(=O)CC1CCCCN1CC=O dcc62c1f0f336a3589697c6eeac0fba8 [0,1,0,1,0,0|2,0,0]=4 10299 B13R1.380 NC(=O)C[C@@H]1CCCCN1CC=O bec07567801e54e544a0240b4c08b8fc [0,1,0,1,0,0|2,0,0]=4 10300 B13R1.380 NC(=O)C[C@H]1CCCCN1CC=O 1ebb08acff18fb8267d19dfcdff6736e [0,1,0,1,0,0|2,0,0]=4 10301 B13R1.380 O=C(O)CC1CCCCN1CCF ab687792312db964eea400f7abcbb532 [0,1,0,1,0,0|1,0,1]=4 10302 B13R1.380 O=C(O)CC1CCCCN1CCO 86db110ab498ccbb86cf0c88922e0ef0 [0,1,0,1,0,0|1,0,1]=4 10303 B13R1.380 O=C(O)CC1CCCCN1CCS ceaee2ee80ae1ee1c7ce9acfb0b9a27d [0,1,0,1,0,0|1,0,1]=4 10304 B13R1.380 O=C(O)CN1CCCCC1CCCl 7209033c988e7bc851a62da27a32d23e [0,1,0,1,0,0|1,0,1]=4 10305 B13R1.380 O=C(O)CN1CCCCC1CCO 501a1e4c9b7d671c8936e98f9d333439 [0,1,0,1,0,0|1,0,1]=4 10306 B13R1.380 O=C(O)CN1CCCC[C@@H]1CCO fc2f5c5b902d8d5852912712ea2ab0fb [0,1,0,1,0,0|1,0,1]=4 10307 B13R1.380 O=C(O)CN1CCCC[C@H]1CCO 735245b7b31e77a30f3f641f24b0b583 [0,1,0,1,0,0|1,0,1]=4 10308 B13R1.380 O=C(O)C[C@@H]1CCCCN1CCF 5b5d092354879044f81bcc36b743963a [0,1,0,1,0,0|1,0,1]=4 10309 B13R1.380 O=C(O)C[C@@H]1CCCCN1CCO b542a1af6f25d15a05d69585529fe1f3 [0,1,0,1,0,0|1,0,1]=4 10310 B13R1.380 O=C(O)C[C@@H]1CCCCN1CCS 6e2a6b6d2d8fc7c7b4b1457ec5f72255 [0,1,0,1,0,0|1,0,1]=4 10311 B13R1.380 O=CCN1CCCCC1CC(=O)O 5ee2c568bf4ede6280cc836397df425d [0,1,0,1,0,0|1,0,0]=3 10312 B13R1.380 O=CCN1CCCC[C@H]1CC(=O)O 0178d5cf5b100c9c96f9cb354c57e05c [0,1,0,1,0,0|1,0,0]=3 10313 B13R1.380 O=CCN1CCOCC1CC(=O)O 1d1e36f6518e16e3418fb0eb35dd19aa [0,1,0,1,0,0|2,0,0]=4 10314 B13R1.392 C=CCN1CCCC1CNC(=O)C 729b0f701cb4f7a4ee18b6b263c1f732 [0,1,0,1,0,0|2,0,0]=4 10315 B13R1.392 C=CCN1CCC[C@H]1CNC(=O)C e27c41164df14d56af232092fc8cbd00 [0,1,0,1,0,0|2,0,0]=4 10316 B13R1.392 COCC1CCCN1CCC(=O)O b493787e051b18df251687e03d920652 [0,1,0,1,0,0|1,0,1]=4 10317 B13R1.392 COC[C@@H]1CCCN1CCC(=O)O e770c95c001c4d9f6c505a41feb19217 [0,1,0,1,0,0|1,0,1]=4 10318 B13R1.392 COC[C@@H]1CCC[C@@H]1NCC(=O)O a13f05f1698af70cde4b26edafa78726 [0,1,0,1,0,0|1,0,1]=4 10319 B13R1.392 COC[C@H]1CCCN1CCC(=O)O 50c3d78d9c99f7a4554c9204b0819a58 [0,1,0,1,0,0|1,0,1]=4 10320 B13R1.392 COC[C@H]1CCC[C@H]1NCC(=O)O c4c076f9941c0a3e8aca7e42882bdfda [0,1,0,1,0,0|1,0,1]=4 10321 B13R1.392 CSCC1CCCN1CCC(=O)O af7d0ee74b4908ef3e49cfe34fa92b47 [0,1,0,1,0,0|1,0,1]=4 10322 B13R1.392 O=C(O)CCN1CCCC1CCO 90af6b2295df96217e4d885407b23a7d [0,1,0,1,0,0|1,0,1]=4 10323 B13R1.392 O=C(O)CCN1CCC[C@@H]1CCO d5e9f2b09ca5b9c6e3c32978b3eea9f6 [0,1,0,1,0,0|1,0,1]=4 10324 B13R1.559 C=CCCCCCOCC1CC1=C aeecc5b8d1846ef13089a4ac18bfb926 [0,1,0,1,0,0|2,0,0]=4 10325 B13R1.572 C#CCCN1CCCCC1C(=O)O 7b61f24498cbcec3b07cf365138aac00 [0,1,0,1,0,0|0,0,2]=4 10326 B13R1.572 C#CCCN1CCCC[C@@H]1C(=O)O d7dfc67c71b1c4336f16dad9b3c0ee1a [0,1,0,1,0,0|0,0,2]=4 10327 B13R1.572 C#CCCN1CCCC[C@H]1C(=O)O 8ad2884a66d455f176d3c44f752f459b [0,1,0,1,0,0|0,0,2]=4 10328 B13R1.572 C#CCNC1CCCCC1C(=O)O 02de9698a71b01f7d5fc1a683e375d14 [0,1,0,1,0,0|0,0,2]=4 10329 B13R1.572 C#CCN[C@H]1CCCC[C@@H]1C(=O)O 4a830435140aece28f7b7c85e7058bc6 [0,1,0,1,0,0|0,0,2]=4 10330 B13R1.572 C#CCN[C@H]1CCCC[C@H]1C(=O)O ca89c5881b0ef4894491a45f9fd67d85 [0,1,0,1,0,0|0,0,2]=4 10331 B13R1.572 C#CCOC1CCCCC1C(=O)O 00d257b621900c5a58030bf6c3a5ddd0 [0,1,0,1,0,0|0,0,2]=4 10332 B13R1.572 C/C=C/CN1CCCCC1C(=O)C 26f308502814a3007afb825d80b8ab5f [0,1,0,1,0,0|2,0,0]=4 10333 B13R1.572 C/C=C/CN1CCCCC1C(=O)N fd7b605a34636ddc50ad779bd899b6f1 [0,1,0,1,0,0|2,0,0]=4 10334 B13R1.572 C/C=C/CN1CCCCC1C(=O)O b3611d4d4adb8ddd18cbad8a4e225eb4 [0,1,0,1,0,0|1,0,0]=3 10335 B13R1.572 C/C=C/CN1CCCC[C@@H]1C(=O)N cd4bd60da9095002db4aba95e187f370 [0,1,0,1,0,0|2,0,0]=4 10336 B13R1.572 C/C=C/CN1CCCC[C@@H]1C(=O)O 66ac0b191433a5ccc1823fe7a9af66f1 [0,1,0,1,0,0|1,0,0]=3 10337 B13R1.572 C/C=C/CN1CCCC[C@H]1C(=O)N b4c0e3ad0b7806cfc4cfdde90e23b6dc [0,1,0,1,0,0|2,0,0]=4 10338 B13R1.572 C/C=C/CN1CCCC[C@H]1C(=O)O 459c3333ca1e8690ae28eb41e8abfa4e [0,1,0,1,0,0|1,0,0]=3 10339 B13R1.572 C/C=C/CN1CCCSC1C(=O)O f6bde40677cc84b04ff66e0b53887a1f [0,1,0,1,0,0|2,0,0]=4 10340 B13R1.572 C/C=C/CN1CCOCC1C(=O)O 9398dea8bc4a27303e998f8565fc97cd [0,1,0,1,0,0|2,0,0]=4 10341 B13R1.572 C/C=C/CN1CCOC[C@@H]1C(=O)O ff5e1b5270cbce7c047921c46911c497 [0,1,0,1,0,0|2,0,0]=4 10342 B13R1.572 C/C=C/CN1CCOC[C@H]1C(=O)O 3b0facaa15542b9042f47d9c34b5e120 [0,1,0,1,0,0|2,0,0]=4 10343 B13R1.572 C/C=C/CN1CCSCC1C(=O)O 215f71d8bf3d7d00b257c39831bdc839 [0,1,0,1,0,0|2,0,0]=4 10344 B13R1.572 C/C=C/CN1CCSC[C@@H]1C(=O)O 0ea74daa22a7b98bd7184007b69c68df [0,1,0,1,0,0|2,0,0]=4 10345 B13R1.572 C/C=C/CN1CCSC[C@H]1C(=O)O 3603ec3fd3c94b71ba3c488fdb585c18 [0,1,0,1,0,0|2,0,0]=4 10346 B13R1.572 C/C=C\CN1CCCCC1C(=O)C c9a3e8e31e3f72985c5e9480e6537acb [0,1,0,1,0,0|2,0,0]=4 10347 B13R1.572 C/C=C\CN1CCCCC1C(=O)N 4ac11dbea94f78d7b0667a61be16f246 [0,1,0,1,0,0|2,0,0]=4 10348 B13R1.572 C/C=C\CN1CCCCC1C(=O)O 538800deefc1ce0750ff837efbad1be7 [0,1,0,1,0,0|1,0,0]=3 10349 B13R1.572 C/C=C\CN1CCCC[C@@H]1C(=O)N 34609006cb84adbff2255300272c2a3d [0,1,0,1,0,0|2,0,0]=4 10350 B13R1.572 C/C=C\CN1CCCC[C@@H]1C(=O)O dff5b8c86d8cbaa529075c0b5b901079 [0,1,0,1,0,0|1,0,0]=3 10351 B13R1.572 C/C=C\CN1CCCC[C@H]1C(=O)N f17bf75dd020b89df3d4468dea6163e7 [0,1,0,1,0,0|2,0,0]=4 10352 B13R1.572 C/C=C\CN1CCCC[C@H]1C(=O)O 1f8ae188bbaa0805bb925e3316838f5b [0,1,0,1,0,0|1,0,0]=3 10353 B13R1.572 C/C=C\CN1CCCSC1C(=O)O 9ae0f6da5b564db793919258d33d60a1 [0,1,0,1,0,0|2,0,0]=4 10354 B13R1.572 C/C=C\CN1CCOCC1C(=O)O 0ad401a8fa1e54456609a636f507e4f6 [0,1,0,1,0,0|2,0,0]=4 10355 B13R1.572 C/C=C\CN1CCOC[C@@H]1C(=O)O 008a03f8c55bbc0ba45b53821b189adb [0,1,0,1,0,0|2,0,0]=4 10356 B13R1.572 C/C=C\CN1CCOC[C@H]1C(=O)O 96d91a4cc04f287c150b866f38b591b5 [0,1,0,1,0,0|2,0,0]=4 10357 B13R1.572 C/C=C\CN1CCSCC1C(=O)O 1f055be7cdb1f7adc2486445f6cc79da [0,1,0,1,0,0|2,0,0]=4 10358 B13R1.572 C/C=C\CN1CCSC[C@@H]1C(=O)O 088f1a7efc66b208054621af302b63da [0,1,0,1,0,0|2,0,0]=4 10359 B13R1.572 C/C=C\CN1CCSC[C@H]1C(=O)O e31dc7145d4047f63d4ceb94c98ffd9c [0,1,0,1,0,0|2,0,0]=4 10360 B13R1.572 C=CCCN1CC=CC[C@H]1C(=O)O fda7759844d32a35666fb076eb6fa45f [0,1,0,1,0,0|0,0,2]=4 10361 B13R1.572 C=CCCN1CCCCC1C(=O)C 72d9f90017ea9dc1e64ad60a29df9d44 [0,1,0,1,0,0|1,0,0]=3 10362 B13R1.572 C=CCCN1CCCCC1C(=O)N 5480c7b927ebcc86af22f94f3466c496 [0,1,0,1,0,0|1,0,0]=3 10363 B13R1.572 C=CCCN1CCCCC1C(=O)O 308e885c3bf165a7a5929c9e69e6ef88 [0,1,0,1,0,0|0,0,0]=2 10364 B13R1.572 C=CCCN1CCCC[C@@H]1C(=O)N a648c379c651b03a80963e134ba1e342 [0,1,0,1,0,0|1,0,0]=3 10365 B13R1.572 C=CCCN1CCCC[C@@H]1C(=O)O 00bc1b7621ee965a37bce9ec21819402 [0,1,0,1,0,0|0,0,0]=2 10366 B13R1.572 C=CCCN1CCCC[C@H]1C(=O)N 21f1d884457a8cb956497b82314da33f [0,1,0,1,0,0|1,0,0]=3 10367 B13R1.572 C=CCCN1CCCC[C@H]1C(=O)O 3585eba811d9552493627e2bbecdd0c0 [0,1,0,1,0,0|0,0,0]=2 10368 B13R1.572 C=CCCN1CCCSC1C(=O)O 656424f71af30be87e909b0dfde313af [0,1,0,1,0,0|1,0,0]=3 10369 B13R1.572 C=CCCN1CCOCC1C(=O)N 44d7112c63d105ed63ed0fcd9ada5a5a [0,1,0,1,0,0|2,0,0]=4 10370 B13R1.572 C=CCCN1CCOCC1C(=O)O 49e8233d65407945fe6d970483e4629a [0,1,0,1,0,0|1,0,0]=3 10371 B13R1.572 C=CCCN1CCOC[C@@H]1C(=O)N d659c87c7d7c0098d46af6493fa6032a [0,1,0,1,0,0|2,0,0]=4 10372 B13R1.572 C=CCCN1CCOC[C@@H]1C(=O)O 85f7625e7c993329ecd994a06ebd24b2 [0,1,0,1,0,0|1,0,0]=3 10373 B13R1.572 C=CCCN1CCOC[C@H]1C(=O)N e00fdd3ec87b8a11ad51aec6b962ff61 [0,1,0,1,0,0|2,0,0]=4 10374 B13R1.572 C=CCCN1CCOC[C@H]1C(=O)O 8d341a707d67abcacb08b27567984dc2 [0,1,0,1,0,0|1,0,0]=3 10375 B13R1.572 C=CCCN1CCSCC1C(=O)O 635d2ebac75d229bb9ae649a708b645a [0,1,0,1,0,0|1,0,0]=3 10376 B13R1.572 C=CCCN1CCSC[C@@H]1C(=O)O fca3c2ae3d2cd7ef348d4bce02f51621 [0,1,0,1,0,0|1,0,0]=3 10377 B13R1.572 C=CCCN1CCSC[C@H]1C(=O)O 7743f6873e25c57992cb30f4543824fd [0,1,0,1,0,0|1,0,0]=3 10378 B13R1.572 C=CCNC1CCCCC1C(=O)O 3dfe08c8a251c6926772713001d218aa [0,1,0,1,0,0|0,0,0]=2 10379 B13R1.572 C=CCN[C@@H]1CC=CC[C@@H]1C(=O)O c1920960b52e16c61642a3fed8cea9f5 [0,1,0,1,0,0|0,0,2]=4 10380 B13R1.572 C=CCN[C@@H]1CCCC[C@@H]1C(=O)N 81a1974d8e10aa5439f0486fa0dbd6c5 [0,1,0,1,0,0|1,0,0]=3 10381 B13R1.572 C=CCN[C@@H]1CCCC[C@H]1C(=O)N 91fb07ae31e7cd608ee8ba63d9aac560 [0,1,0,1,0,0|1,0,0]=3 10382 B13R1.572 C=CCN[C@H]1CC=CC[C@@H]1C(=O)O a9e99666c2ab87b31af71e222d70cc5d [0,1,0,1,0,0|0,0,2]=4 10383 B13R1.572 C=CCN[C@H]1CCCC[C@@H]1C(=O)N f5a2a2aec65aa577ef3e646e5a323021 [0,1,0,1,0,0|1,0,0]=3 10384 B13R1.572 C=CCN[C@H]1CCCC[C@@H]1C(=O)O 40606d2cf5bffa64d482e2a3252e9346 [0,1,0,1,0,0|0,0,0]=2 10385 B13R1.572 C=CCN[C@H]1CCCC[C@H]1C(=O)N d76ac818eadba7c9c94171e62bbbeff8 [0,1,0,1,0,0|1,0,0]=3 10386 B13R1.572 C=CCN[C@H]1CCCC[C@H]1C(=O)O e03494951e830047ec7b507857ac1037 [0,1,0,1,0,0|0,0,0]=2 10387 B13R1.572 C=CCN[C@H]1COCC[C@H]1C(=O)O d458f3496f7dee1be74826529413e9bc [0,1,0,1,0,0|1,0,0]=3 10388 B13R1.572 C=CCOC1CCCCC1C(=O)O 6ef97e16b468f3ad903b3c358a22be40 [0,1,0,1,0,0|0,0,0]=2 10389 B13R1.572 C=CCOC1CCCCC1[N+](=O)[O-] 54919dd0489dac1f60f6ba4fe8fd6958 [0,1,0,1,0,0|1,0,1]=4 10390 B13R1.572 C=CCOC1CCOCC1C(=O)O 879b799b327feb1f45fca356baca8357 [0,1,0,1,0,0|1,0,0]=3 10391 B13R1.572 CC(=O)C1CCCCN1C/C=C/Cl da1a317ca00a59a64b904fd7b28bea12 [0,1,0,1,0,0|2,0,0]=4 10392 B13R1.572 CC(=O)C1CCCCN1C/C=C\Cl ff0dfe934abee1d9b24862f8baaf7932 [0,1,0,1,0,0|2,0,0]=4 10393 B13R1.572 CC(=O)C1CCCCN1C/C=C\O 283f4b3306771c3cb3cb0f31930997f4 [0,1,0,1,0,0|2,0,0]=4 10394 B13R1.572 CC(=O)C1CCCCN1CCC=O 0cdaae09d86fcd0a84044504abf47040 [0,1,0,1,0,0|2,0,0]=4 10395 B13R1.572 CCCCN1CCCCC1C(=O)O 1f52fecf3aa8b78dd1ffff90bc902c33 [0,1,0,1,0,0|0,0,2]=4 10396 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 47e06aac6667d4e81d956a86c9e7163a [0,1,0,1,0,0|0,0,2]=4 10397 B13R1.572 CCCCN1CCCC[C@H]1C(=O)O 63d1cdb85cf96247585912b18ebc86a0 [0,1,0,1,0,0|0,0,2]=4 10398 B13R1.572 CCCNC1CCCCC1C(=O)O 244aca53fd6340b8174b276176c41540 [0,1,0,1,0,0|0,0,2]=4 10399 B13R1.572 CCCN[C@H]1CCCC[C@@H]1C(=O)O a86ad4a5f368603e91898d71d916ca97 [0,1,0,1,0,0|0,0,2]=4 10400 B13R1.572 CCCN[C@H]1CCCC[C@H]1C(=O)O 625d5fb1f6708ed369ee1b91e2f0726d [0,1,0,1,0,0|0,0,2]=4 10401 B13R1.572 CCCOC1CCCCC1C(=O)O cb6c5c99f1c3b565c53509328478ddb8 [0,1,0,1,0,0|0,0,2]=4 10402 B13R1.572 COCCN1CCCCC1C(=O)O f2213714655badc4634137a18cd03693 [0,1,0,1,0,0|1,0,1]=4 10403 B13R1.572 COCCN1CCCC[C@@H]1C(=O)O ea0ef39d9cfb1f2584eb8abc9ca2478b [0,1,0,1,0,0|1,0,1]=4 10404 B13R1.572 COCCN1CCCC[C@H]1C(=O)O b9de0e4767c15f80d3b14bf367204c99 [0,1,0,1,0,0|1,0,1]=4 10405 B13R1.572 COCNC1CCCCC1C(=O)O 46a649e894fbd6e107893e470a6f0141 [0,1,0,1,0,0|1,0,1]=4 10406 B13R1.572 COCN[C@H]1CCCC[C@@H]1C(=O)O cd6dab1703dfd35f801ecde4412e888a [0,1,0,1,0,0|1,0,1]=4 10407 B13R1.572 COCN[C@H]1CCCC[C@H]1C(=O)O 46e7520729f562a48f11f50322fe980b [0,1,0,1,0,0|1,0,1]=4 10408 B13R1.572 COCOC1CCCCC1C(=O)O 79202dff9e931ac27781d725f36be133 [0,1,0,1,0,0|1,0,1]=4 10409 B13R1.572 CSCCN1CCCCC1C(=O)O 61f89a03fa4eda6a1146abb1a3a2ca02 [0,1,0,1,0,0|1,0,1]=4 10410 B13R1.572 CSCCN1CCCC[C@@H]1C(=O)O ec2ac9dec35c89193b709777ec592147 [0,1,0,1,0,0|1,0,1]=4 10411 B13R1.572 CSCCN1CCCC[C@H]1C(=O)O 16ed1420f75e6ca7a6f340bd04a05f7d [0,1,0,1,0,0|1,0,1]=4 10412 B13R1.572 CSCNC1CCCCC1C(=O)O 48b8876f0297d34135d8876b9ecbddb3 [0,1,0,1,0,0|1,0,1]=4 10413 B13R1.572 CSCN[C@H]1CCCC[C@@H]1C(=O)O 1210a2a9e5b8652301836120c716df8c [0,1,0,1,0,0|1,0,1]=4 10414 B13R1.572 CSCN[C@H]1CCCC[C@H]1C(=O)O 7b95c48d44a7c261428a1a8ac6ff454e [0,1,0,1,0,0|1,0,1]=4 10415 B13R1.572 CSCOC1CCCCC1C(=O)O ef7d962225adb84632f5d36ddc8ccd2f [0,1,0,1,0,0|1,0,1]=4 10416 B13R1.572 N#CCCN1CCCCC1C(=O)O a9b31d33dc32338e4c2a6c1c4920922d [0,1,0,1,0,0|1,0,1]=4 10417 B13R1.572 N#CCCN1CCCC[C@@H]1C(=O)O f009f405fb6ee9372e00d27f9890d84f [0,1,0,1,0,0|1,0,1]=4 10418 B13R1.572 N#CCCN1CCCC[C@H]1C(=O)O 25aeea40464a05158cc156509faa6542 [0,1,0,1,0,0|1,0,1]=4 10419 B13R1.572 N#CCNC1CCCCC1C(=O)O e553f33e9b6a06f1abaf7c00bc675458 [0,1,0,1,0,0|1,0,1]=4 10420 B13R1.572 N#CCN[C@H]1CCCC[C@@H]1C(=O)O 3ebbf1ccee84d14239cd95faa2b8c7ce [0,1,0,1,0,0|1,0,1]=4 10421 B13R1.572 N#CCN[C@H]1CCCC[C@H]1C(=O)O 7573dd9542b48421449c273060159410 [0,1,0,1,0,0|1,0,1]=4 10422 B13R1.572 N#CCOC1CCCCC1C(=O)O ede5f389b341dc9596998d837c5df62f [0,1,0,1,0,0|1,0,1]=4 10423 B13R1.572 NC(=O)C1CCCCN1C/C=C/Cl e22d60c8f6b9332ade3bacffb3897ba0 [0,1,0,1,0,0|2,0,0]=4 10424 B13R1.572 NC(=O)C1CCCCN1C/C=C\Cl 652d273508fb4061191bb5f64c854ccb [0,1,0,1,0,0|2,0,0]=4 10425 B13R1.572 NC(=O)C1CCCCN1C/C=C\O 2086a1e6dbbbb83db3ff0355d9725b66 [0,1,0,1,0,0|2,0,0]=4 10426 B13R1.572 NC(=O)C1CCCCN1CCC=O dbc5851b3403335007d083bd0217b438 [0,1,0,1,0,0|2,0,0]=4 10427 B13R1.572 NC(=O)[C@@H]1CCCCN1C/C=C/Cl 9175e3a6d66dd98afca169bd708ddce3 [0,1,0,1,0,0|2,0,0]=4 10428 B13R1.572 NC(=O)[C@@H]1CCCCN1C/C=C\Cl 4c82b2137c20be340261dd8e7bacc533 [0,1,0,1,0,0|2,0,0]=4 10429 B13R1.572 NC(=O)[C@@H]1CCCCN1C/C=C\O 36e32a9f2ec6dcc67c0dc83f0ec50789 [0,1,0,1,0,0|2,0,0]=4 10430 B13R1.572 NC(=O)[C@@H]1CCCCN1CCC=O 7e8499172de6644e8563851c6a5c483d [0,1,0,1,0,0|2,0,0]=4 10431 B13R1.572 NC(=O)[C@@H]1CCCC[C@@H]1NCC=O d792cdbde225160e5fe8c780e5b9e1df [0,1,0,1,0,0|2,0,0]=4 10432 B13R1.572 NC(=O)[C@@H]1CCCC[C@H]1NCC=O da726f7c798a42e935e0e49d8f5de46d [0,1,0,1,0,0|2,0,0]=4 10433 B13R1.572 NC(=O)[C@H]1CCCCN1C/C=C/Cl b07ff3050dfa8420b773c93d18fd04fc [0,1,0,1,0,0|2,0,0]=4 10434 B13R1.572 NC(=O)[C@H]1CCCCN1C/C=C\Cl 54dfef6a1cf36be4b61837ac02d64058 [0,1,0,1,0,0|2,0,0]=4 10435 B13R1.572 NC(=O)[C@H]1CCCCN1C/C=C\O 6d84ad39d235d6712326f52afbfe63bc [0,1,0,1,0,0|2,0,0]=4 10436 B13R1.572 NC(=O)[C@H]1CCCCN1CCC=O 15595403478b47b62cb1b7c2f5301186 [0,1,0,1,0,0|2,0,0]=4 10437 B13R1.572 NC(=O)[C@H]1CCCC[C@@H]1NCC=O 81fbf9d32d42ad744a09c73b54634250 [0,1,0,1,0,0|2,0,0]=4 10438 B13R1.572 NC(=O)[C@H]1CCCC[C@H]1NCC=O c0140ba6306a28333089bc59237fac72 [0,1,0,1,0,0|2,0,0]=4 10439 B13R1.572 O=C(O)C1CCCCC1NCCF 795e4833acafbcc0f327bf81da9237be [0,1,0,1,0,0|1,0,1]=4 10440 B13R1.572 O=C(O)C1CCCCC1NCCO bcf0f2669082056122b8228cb97aedba [0,1,0,1,0,0|1,0,1]=4 10441 B13R1.572 O=C(O)C1CCCCC1NCCS 13d5ac89e16dc7d49d26c9322318e31c [0,1,0,1,0,0|1,0,1]=4 10442 B13R1.572 O=C(O)C1CCCCC1OCCF 8800293b2bf256568ee0a1d0248862ac [0,1,0,1,0,0|1,0,1]=4 10443 B13R1.572 O=C(O)C1CCCCC1OCCS 12475ab1da799a2e28cab19e9011c249 [0,1,0,1,0,0|1,0,1]=4 10444 B13R1.572 O=C(O)C1CCCCN1C/C=C/Cl da7f937b345add80ab52a3a1f27c30e3 [0,1,0,1,0,0|1,0,0]=3 10445 B13R1.572 O=C(O)C1CCCCN1C/C=C\Cl 56ddc40988d685959df702cd4a6cd9fe [0,1,0,1,0,0|1,0,0]=3 10446 B13R1.572 O=C(O)C1CCCCN1C/C=C\O cd72ecfb7e8d79c32cc053ef512b0904 [0,1,0,1,0,0|1,0,0]=3 10447 B13R1.572 O=C(O)C1CCCCN1CCCF c0efe5bee3c4e092d456bda4ddf2ef20 [0,1,0,1,0,0|1,0,1]=4 10448 B13R1.572 O=C(O)C1CCCCN1CCCO d6bb8075dfb0539bd039b58672e17657 [0,1,0,1,0,0|1,0,1]=4 10449 B13R1.572 O=C(O)C1CCCCN1CCCS c7bc48e801574fe22c59db1d8c976319 [0,1,0,1,0,0|1,0,1]=4 10450 B13R1.572 O=C(O)C1COCCN1C/C=C/Cl 9372975d5e8f1b295f968689cc780809 [0,1,0,1,0,0|2,0,0]=4 10451 B13R1.572 O=C(O)C1COCCN1C/C=C\Cl 0aa92f5718ca66c6f40c9b8e1d034edb [0,1,0,1,0,0|2,0,0]=4 10452 B13R1.572 O=C(O)C1COCCN1C/C=C\O f5e6a6b6c2272a79c1863d5c4af1b105 [0,1,0,1,0,0|2,0,0]=4 10453 B13R1.572 O=C(O)C1CSCCN1C/C=C/Cl 66f799b6ddc89f467a873daae61d755b [0,1,0,1,0,0|2,0,0]=4 10454 B13R1.572 O=C(O)C1CSCCN1C/C=C\Cl 775c194497c79089377eba4425931cd4 [0,1,0,1,0,0|2,0,0]=4 10455 B13R1.572 O=C(O)C1CSCCN1C/C=C\O 7673b992380ce2f96292d1ced42b3271 [0,1,0,1,0,0|2,0,0]=4 10456 B13R1.572 O=C(O)C1SCCCN1C/C=C/Cl 93992535f2e1d8ec96bc7c4b931b4761 [0,1,0,1,0,0|2,0,0]=4 10457 B13R1.572 O=C(O)C1SCCCN1C/C=C\Cl bbadbe48a906180d581e8dc377aeddb6 [0,1,0,1,0,0|2,0,0]=4 10458 B13R1.572 O=C(O)C1SCCCN1C/C=C\O b5510263342adec023240d82ee65edce [0,1,0,1,0,0|2,0,0]=4 10459 B13R1.572 O=C(O)[C@@H]1CCCCN1C/C=C/Cl 079c05986925d0e36181002ec8c0835a [0,1,0,1,0,0|1,0,0]=3 10460 B13R1.572 O=C(O)[C@@H]1CCCCN1C/C=C\Cl bcebf41f03d2a03b381ba3ecf676cd4b [0,1,0,1,0,0|1,0,0]=3 10461 B13R1.572 O=C(O)[C@@H]1CCCCN1C/C=C\O c455295865c32d0aa926d1035b551f25 [0,1,0,1,0,0|1,0,0]=3 10462 B13R1.572 O=C(O)[C@@H]1CCCCN1CCCF c1cd63a403fd21fd384995babab45d31 [0,1,0,1,0,0|1,0,1]=4 10463 B13R1.572 O=C(O)[C@@H]1CCCCN1CCCO 2703558d6e2a8a1d258316312dfc5458 [0,1,0,1,0,0|1,0,1]=4 10464 B13R1.572 O=C(O)[C@@H]1CCCCN1CCCS a57b558c1dd86dbbb010e6807b388628 [0,1,0,1,0,0|1,0,1]=4 10465 B13R1.572 O=C(O)[C@@H]1CCCC[C@@H]1NCCF 6292ee4e4c8b9f99523bcf0ff8366f94 [0,1,0,1,0,0|1,0,1]=4 10466 B13R1.572 O=C(O)[C@@H]1CCCC[C@@H]1NCCO b012e2c78177f85dd623fe2ac5da15b9 [0,1,0,1,0,0|1,0,1]=4 10467 B13R1.572 O=C(O)[C@@H]1CCCC[C@@H]1NCCS 7889d1147b4edd104711714d984a884f [0,1,0,1,0,0|1,0,1]=4 10468 B13R1.572 O=C(O)[C@@H]1COCCN1C/C=C/Cl 65a5637b5144c6b11f81ada43c7a5104 [0,1,0,1,0,0|2,0,0]=4 10469 B13R1.572 O=C(O)[C@@H]1COCCN1C/C=C\Cl 59eabec0d633c3143092459f5bf55952 [0,1,0,1,0,0|2,0,0]=4 10470 B13R1.572 O=C(O)[C@@H]1COCCN1C/C=C\O 4f40a67761146818c0e199f3c8d66836 [0,1,0,1,0,0|2,0,0]=4 10471 B13R1.572 O=C(O)[C@@H]1CSCCN1C/C=C/Cl 5ec41273d965a239401ff6fc52583d3b [0,1,0,1,0,0|2,0,0]=4 10472 B13R1.572 O=C(O)[C@@H]1CSCCN1C/C=C\Cl 4348ef36b5b568c9d963cf26e5ebd005 [0,1,0,1,0,0|2,0,0]=4 10473 B13R1.572 O=C(O)[C@@H]1CSCCN1C/C=C\O 8c5c5e8795dedb517c52300251d720fc [0,1,0,1,0,0|2,0,0]=4 10474 B13R1.572 O=C(O)[C@H]1CCCCN1C/C=C/Cl f0fb8bef7bcadea5f2c0a026022ba837 [0,1,0,1,0,0|1,0,0]=3 10475 B13R1.572 O=C(O)[C@H]1CCCCN1C/C=C\Cl 2990d1c1c0ea1b0d5c3e8b65ea354b1f [0,1,0,1,0,0|1,0,0]=3 10476 B13R1.572 O=C(O)[C@H]1CCCCN1C/C=C\O 5f338b2452eafc1cf246a28f19e9f78d [0,1,0,1,0,0|1,0,0]=3 10477 B13R1.572 O=C(O)[C@H]1CCCCN1CCCF d62d753570007918abfd0b046c8e31d9 [0,1,0,1,0,0|1,0,1]=4 10478 B13R1.572 O=C(O)[C@H]1CCCCN1CCCO 4e98b48471724ff036bba45e672a3917 [0,1,0,1,0,0|1,0,1]=4 10479 B13R1.572 O=C(O)[C@H]1CCCCN1CCCS 19f599dfda8ae2fa8661b4a015e86dd4 [0,1,0,1,0,0|1,0,1]=4 10480 B13R1.572 O=C(O)[C@H]1CCCC[C@@H]1NCCF 33d112fa721849b0975f6f2d5e639b74 [0,1,0,1,0,0|1,0,1]=4 10481 B13R1.572 O=C(O)[C@H]1CCCC[C@@H]1NCCO 8a6b1f67725b0da2ab6f9b6bd1796bb9 [0,1,0,1,0,0|1,0,1]=4 10482 B13R1.572 O=C(O)[C@H]1CCCC[C@@H]1NCCS d73977c2d4bbc758413d78b7c486f8a6 [0,1,0,1,0,0|1,0,1]=4 10483 B13R1.572 O=C(O)[C@H]1COCCN1C/C=C/Cl 97f69ce9905cef63dd786b219a4081de [0,1,0,1,0,0|2,0,0]=4 10484 B13R1.572 O=C(O)[C@H]1COCCN1C/C=C\Cl 0e2d17d2b10713bb0943a67fa97a285d [0,1,0,1,0,0|2,0,0]=4 10485 B13R1.572 O=C(O)[C@H]1COCCN1C/C=C\O 44a18e6f974706f48e042a8415c9ac6e [0,1,0,1,0,0|2,0,0]=4 10486 B13R1.572 O=C(O)[C@H]1CSCCN1C/C=C/Cl 62233dea19866f086686b94e802ee1c3 [0,1,0,1,0,0|2,0,0]=4 10487 B13R1.572 O=C(O)[C@H]1CSCCN1C/C=C\Cl 2adf793b811cb041cc2edcf57e4d0291 [0,1,0,1,0,0|2,0,0]=4 10488 B13R1.572 O=C(O)[C@H]1CSCCN1C/C=C\O 1f9dd1fbb8f15524d04de5143a2786cf [0,1,0,1,0,0|2,0,0]=4 10489 B13R1.572 O=CCCN1CCCCC1C(=O)O fb395f1810b276609c94e69f0b95da2d [0,1,0,1,0,0|1,0,0]=3 10490 B13R1.572 O=CCCN1CCCC[C@@H]1C(=O)O 1ffcc71eca0c7b3c756c59dc750bd028 [0,1,0,1,0,0|1,0,0]=3 10491 B13R1.572 O=CCCN1CCCC[C@H]1C(=O)O 7f68719de9f84546cb5b413ce9618cc4 [0,1,0,1,0,0|1,0,0]=3 10492 B13R1.572 O=CCCN1CCCSC1C(=O)O 406d0db04378091f8306d74924e22ab5 [0,1,0,1,0,0|2,0,0]=4 10493 B13R1.572 O=CCCN1CCOCC1C(=O)O d0b34589d76e6db83e1bd90a37f9557b [0,1,0,1,0,0|2,0,0]=4 10494 B13R1.572 O=CCCN1CCOC[C@@H]1C(=O)O fcbd3c25da9b214a61056fae7270d28c [0,1,0,1,0,0|2,0,0]=4 10495 B13R1.572 O=CCCN1CCOC[C@H]1C(=O)O e9e912d6bd18f66e0560d1b180957b51 [0,1,0,1,0,0|2,0,0]=4 10496 B13R1.572 O=CCCN1CCSCC1C(=O)O 6a57752774767da86044e662a69657de [0,1,0,1,0,0|2,0,0]=4 10497 B13R1.572 O=CCCN1CCSC[C@@H]1C(=O)O 6c02aecf696be10de7795bd01f1e0be4 [0,1,0,1,0,0|2,0,0]=4 10498 B13R1.572 O=CCCN1CCSC[C@H]1C(=O)O 943233a023f2191085932139bc672d83 [0,1,0,1,0,0|2,0,0]=4 10499 B13R1.572 O=CCNC1CCCCC1C(=O)O 1aef67b7384f4aa9f4cc38d98a0d2fae [0,1,0,1,0,0|1,0,0]=3 10500 B13R1.572 O=CCN[C@H]1CCCC[C@@H]1C(=O)O 544438845f0317ca5f12de2f3fe227ce [0,1,0,1,0,0|1,0,0]=3 10501 B13R1.572 O=CCN[C@H]1CCCC[C@H]1C(=O)O 259fe5ccb764fc0a242b4257c9c32875 [0,1,0,1,0,0|1,0,0]=3 10502 B13R1.572 O=CCN[C@H]1COCC[C@H]1C(=O)O ad6a2e6cf616f0c0858051654a3b62f7 [0,1,0,1,0,0|2,0,0]=4 10503 B13R1.572 O=CCOC1CCCCC1C(=O)O 28989480dd22c0e626444c231f2ad81e [0,1,0,1,0,0|1,0,0]=3 10504 B13R1.572 O=CCOC1CCOCC1C(=O)O 93f8fb4163fd6a0d3ff11fde00f501d7 [0,1,0,1,0,0|2,0,0]=4 10505 B13R1.578 C#CCCN1CCCC1CC(=O)O defaebece3070b461f8eddc8ad48649a [0,1,0,1,0,0|0,0,2]=4 10506 B13R1.578 C#CCCN1CCC[C@@H]1CC(=O)O fcb5ddb3cd68ef5cd2fe0cd489ad2d7e [0,1,0,1,0,0|0,0,2]=4 10507 B13R1.578 C#CCCN1CCC[C@H]1CC(=O)O 43d298efeed240411bbe40435cbc9ecb [0,1,0,1,0,0|0,0,2]=4 10508 B13R1.578 C/C=C/CN1CCCC1CC(=O)O 673c717d1f7cbebe5a1044047da7eb45 [0,1,0,1,0,0|1,0,0]=3 10509 B13R1.578 C/C=C/CN1CCC[C@@H]1CC(=O)O d0356f8bf8e023fdc4c60eca7f42efb4 [0,1,0,1,0,0|1,0,0]=3 10510 B13R1.578 C/C=C/CN1CCC[C@H]1CC(=O)O 2612320806afe388fe99278e325abf92 [0,1,0,1,0,0|1,0,0]=3 10511 B13R1.578 C/C=C\CN1CCCC1CC(=O)O 30fadea76880c98b398dbc5bf0b8ebc2 [0,1,0,1,0,0|1,0,0]=3 10512 B13R1.578 C/C=C\CN1CCC[C@@H]1CC(=O)O 6a8f4eafbcaac08e23b1a31ce76aa213 [0,1,0,1,0,0|1,0,0]=3 10513 B13R1.578 C/C=C\CN1CCC[C@H]1CC(=O)O 3bfd10210f6b2e05b34502aac4b148b2 [0,1,0,1,0,0|1,0,0]=3 10514 B13R1.578 C=CCCN1CCCC1CC(=O)O 791dc66b90bb74a2f92379004623b221 [0,1,0,1,0,0|0,0,0]=2 10515 B13R1.578 C=CCCN1CCC[C@@H]1CC(=O)O 22713491ce5acf49d00c0973456aeba8 [0,1,0,1,0,0|0,0,0]=2 10516 B13R1.578 C=CCCN1CCC[C@H]1CC(=O)O f90873803ba483a8948790f23533c636 [0,1,0,1,0,0|0,0,0]=2 10517 B13R1.578 C=CCO[C@H]1CCC[C@@H]1NC(=O)C 82841f7dfef78bcd6c3f64c328bccf00 [0,1,0,1,0,0|2,0,0]=4 10518 B13R1.578 CCCCC1CCCN1CC(=O)O 6c88ac149e87c36e2a38e6bb4e678b8a [0,1,0,1,0,0|0,0,2]=4 10519 B13R1.578 CCCCN1CCCC1CC(=O)O ab0c4deef01f0fb7afdc84e7f02da33c [0,1,0,1,0,0|0,0,2]=4 10520 B13R1.578 CCCCN1CCC[C@@H]1CC(=O)O dc1cb37fbff76df38748739b605b4cd4 [0,1,0,1,0,0|0,0,2]=4 10521 B13R1.578 CCCCN1CCC[C@H]1CC(=O)O c6eefcd251955ab05d3ba672eaeda9c2 [0,1,0,1,0,0|0,0,2]=4 10522 B13R1.578 COCCC1CCCN1CC(=O)O a20044eab9bd2d49a8a53af3b1e9b266 [0,1,0,1,0,0|1,0,1]=4 10523 B13R1.578 COCCN1CCCC1CC(=O)O 9ba57be9d098462479b5d55b2f02094a [0,1,0,1,0,0|1,0,1]=4 10524 B13R1.578 COCCN1CCC[C@@H]1CC(=O)O a639ebc57ed539b9ae4952224574a3ce [0,1,0,1,0,0|1,0,1]=4 10525 B13R1.578 COCCN1CCC[C@H]1CC(=O)O 916789fb0d1eff0f7bff41a66cf78b16 [0,1,0,1,0,0|1,0,1]=4 10526 B13R1.578 CSCCN1CCCC1CC(=O)O 25652520f747fcf8a719883da79b0c0b [0,1,0,1,0,0|1,0,1]=4 10527 B13R1.578 CSCCN1CCC[C@@H]1CC(=O)O b1e998ec62d38eaadbe9207b6eacc987 [0,1,0,1,0,0|1,0,1]=4 10528 B13R1.578 CSCCN1CCC[C@H]1CC(=O)O 67b576185f5990069c46b4c8a35f6a3f [0,1,0,1,0,0|1,0,1]=4 10529 B13R1.578 N#CCCN1CCCC1CC(=O)O b6be21330d3c11254a9952058c63b8e8 [0,1,0,1,0,0|1,0,1]=4 10530 B13R1.578 N#CCCN1CCC[C@@H]1CC(=O)O 9b2ccb848d333f35572003f0c8f27980 [0,1,0,1,0,0|1,0,1]=4 10531 B13R1.578 N#CCCN1CCC[C@H]1CC(=O)O c180127990c6b2861b8859713986726e [0,1,0,1,0,0|1,0,1]=4 10532 B13R1.578 O=C(O)CC1CCCN1C/C=C/Cl 4a9e2c8823edd680442c5c9cb1fb2531 [0,1,0,1,0,0|1,0,0]=3 10533 B13R1.578 O=C(O)CC1CCCN1C/C=C\Cl 4fabd5318ce34bc6d643c6b4851c531a [0,1,0,1,0,0|1,0,0]=3 10534 B13R1.578 O=C(O)CC1CCCN1C/C=C\O 325afa218ac13de9a0cfc77403d3df2f [0,1,0,1,0,0|1,0,0]=3 10535 B13R1.578 O=C(O)CC1CCCN1CCCF 4b8119806683a7f220bf63f4ca8e5806 [0,1,0,1,0,0|1,0,1]=4 10536 B13R1.578 O=C(O)CC1CCCN1CCCO 28ed6fa9b5b55319b9cf93b029844566 [0,1,0,1,0,0|1,0,1]=4 10537 B13R1.578 O=C(O)CC1CCCN1CCCS 26a564673dc41e7036994e68a830841d [0,1,0,1,0,0|1,0,1]=4 10538 B13R1.578 O=C(O)C[C@@H]1CCCN1C/C=C/Cl 5745bb4a2a9acaeec859aae34a37db49 [0,1,0,1,0,0|1,0,0]=3 10539 B13R1.578 O=C(O)C[C@@H]1CCCN1C/C=C\Cl dfb33018a09a939c76ae5a93fd14c10b [0,1,0,1,0,0|1,0,0]=3 10540 B13R1.578 O=C(O)C[C@@H]1CCCN1C/C=C\O 126f9ccfe46ed1727e2f110c8143f8f5 [0,1,0,1,0,0|1,0,0]=3 10541 B13R1.578 O=C(O)C[C@@H]1CCCN1CCCF 759d1b93d621eac3227e3d7a3fcd9efc [0,1,0,1,0,0|1,0,1]=4 10542 B13R1.578 O=C(O)C[C@@H]1CCCN1CCCO 64510545c98def5f3ec4e9477301ca86 [0,1,0,1,0,0|1,0,1]=4 10543 B13R1.578 O=C(O)C[C@@H]1CCCN1CCCS 7c5d0ba559dc7ae924ded2e873151d1e [0,1,0,1,0,0|1,0,1]=4 10544 B13R1.578 O=C(O)C[C@H]1CCCN1C/C=C/Cl 2c4ae21a68aa835183eca426cc4b92f6 [0,1,0,1,0,0|1,0,0]=3 10545 B13R1.578 O=C(O)C[C@H]1CCCN1C/C=C\Cl 6e70f4f463f3dffdf17f5c9e5f5ee5ce [0,1,0,1,0,0|1,0,0]=3 10546 B13R1.578 O=C(O)C[C@H]1CCCN1C/C=C\O c99b659bf717357bdac4b7f8ac3c18e7 [0,1,0,1,0,0|1,0,0]=3 10547 B13R1.578 O=C(O)C[C@H]1CCCN1CCCF 067c9b1c15d6ad0a9a07c5ed96f49433 [0,1,0,1,0,0|1,0,1]=4 10548 B13R1.578 O=C(O)C[C@H]1CCCN1CCCO 974af4510935ca770c2e5dba61dce529 [0,1,0,1,0,0|1,0,1]=4 10549 B13R1.578 O=C(O)C[C@H]1CCCN1CCCS 48b20c8682c5c94ab023eac6b49e47d1 [0,1,0,1,0,0|1,0,1]=4 10550 B13R1.578 O=CCCN1CCCC1CC(=O)O e8c8ea71fa27732de2bb72db0b4950ca [0,1,0,1,0,0|1,0,0]=3 10551 B13R1.578 O=CCCN1CCC[C@@H]1CC(=O)O 7f7f3289f4d5b2502417e1a47cf15169 [0,1,0,1,0,0|1,0,0]=3 10552 B13R1.578 O=CCCN1CCC[C@H]1CC(=O)O 7596ed3bd8ef1d5070894a11619d95df [0,1,0,1,0,0|1,0,0]=3 10553 B13R1.610 O=C(O)CN1CCCCCC1CO 2f3c1122a53e626873e1ea329c7c13a1 [0,1,0,1,0,0|1,0,1]=4 10554 B13R1.647 CCC1CCN1CCCCC(=O)O f972cd33665993d437e62e4a8a73ca65 [0,1,0,1,0,0|0,0,2]=4 10555 B13R1.647 COC1CCC1COCCC(=O)O 06b406efdffdfaef5a7148c1cce3d910 [0,1,0,1,0,0|1,0,1]=4 10556 B13R1.647 COC1CCC1NCCCC(=O)O 3af92fafed09c9f00195be521788ef9a [0,1,0,1,0,0|1,0,1]=4 10557 B13R1.647 CO[C@@H]1CC[C@@H]1COCCC(=O)O a75f8f4adc271fde59bdc30ef961dffb [0,1,0,1,0,0|1,0,1]=4 10558 B13R1.647 CO[C@@H]1CC[C@@H]1NCCCC(=O)O 6a4a98e8e693bb4a2f70645cad3feb6d [0,1,0,1,0,0|1,0,1]=4 10559 B13R1.647 CO[C@@H]1CC[C@H]1COCCC(=O)O 7fc893848431d82857f86d6c74c37c9f [0,1,0,1,0,0|1,0,1]=4 10560 B13R1.647 CO[C@@H]1CC[C@H]1NCCCC(=O)O 3a0331fbfab001612d50b0f1b6af293b [0,1,0,1,0,0|1,0,1]=4 10561 B13R1.647 CO[C@H]1CC[C@@H]1NCCCC(=O)O d47720c02fe0a5efb4dce55493b6be7b [0,1,0,1,0,0|1,0,1]=4 10562 B13R1.647 CO[C@H]1CC[C@H]1NCCCC(=O)O 74d74df2e2c8a497625371116dd8b789 [0,1,0,1,0,0|1,0,1]=4 10563 B13R1.668 C=CCCNC1CCCCC1(C)O f7d59adf5229515157b34d40b9723691 [0,1,0,1,0,0|1,0,1]=4 10564 B13R1.670 C#CCCCN1CCCC1C(=O)O f3544284b022be75f2695f7f2f0f8c59 [0,1,0,1,0,0|0,0,2]=4 10565 B13R1.670 C#CCCCN1CCC[C@@H]1C(=O)O 245264f52a80a38be7ac85d2328dcf75 [0,1,0,1,0,0|0,0,2]=4 10566 B13R1.670 C#CCCCN1CCC[C@H]1C(=O)O 3d82cd35f015e062f47dce3a41e8c525 [0,1,0,1,0,0|0,0,2]=4 10567 B13R1.670 C#CCCN[C@@H]1CCC[C@@H]1C(=O)O 732a3f9e77559ef29ad9b446c337667f [0,1,0,1,0,0|0,0,2]=4 10568 B13R1.670 C#CCCN[C@H]1CCC[C@@H]1C(=O)O 672975440226546caf7b4a1fcd7c3384 [0,1,0,1,0,0|0,0,2]=4 10569 B13R1.670 C#CCCN[C@H]1CCC[C@H]1C(=O)O b3a17fe6b1b19074895170f5158d62f3 [0,1,0,1,0,0|0,0,2]=4 10570 B13R1.670 C#CCCOC1CCCC1C(=O)O fb2c27b042334ffef34d512a9fca2cb6 [0,1,0,1,0,0|0,0,2]=4 10571 B13R1.670 C#CCCO[C@@H]1CCC[C@@H]1C(=O)O 1c6141dd8a96bd2c6b6cff76109a6e09 [0,1,0,1,0,0|0,0,2]=4 10572 B13R1.670 C#CCCO[C@@H]1CCC[C@H]1C(=O)O d2954d817d8e78a67bbc6c28f0810f0d [0,1,0,1,0,0|0,0,2]=4 10573 B13R1.670 C#CCCO[C@H]1CCC[C@H]1C(=O)O 70150366f2b27bee405fedb6a411fadf [0,1,0,1,0,0|0,0,2]=4 10574 B13R1.670 C/C=C/CN[C@@H]1CCC[C@@H]1C(=O)O d1ec12c0540f3dffafd2ca8bfdd88b7e [0,1,0,1,0,0|1,0,0]=3 10575 B13R1.670 C/C=C/CN[C@@H]1COC[C@@H]1C(=O)O bc7836aeaaabffde5304a1295653b025 [0,1,0,1,0,0|2,0,0]=4 10576 B13R1.670 C/C=C/CN[C@@H]1COC[C@H]1C(=O)O 30d4d161632b29c6dfc29fd9fe27b315 [0,1,0,1,0,0|2,0,0]=4 10577 B13R1.670 C/C=C/CN[C@H]1CCC[C@@H]1C(=O)O f6f8002efea7fc3c56042e447b4e66c0 [0,1,0,1,0,0|1,0,0]=3 10578 B13R1.670 C/C=C/CN[C@H]1CCC[C@H]1C(=O)O faf1f886cd9caf0d9939a483b4f5a2c1 [0,1,0,1,0,0|1,0,0]=3 10579 B13R1.670 C/C=C/CN[C@H]1COC[C@@H]1C(=O)O fb2cd60f16c893930a3abff760cbdd76 [0,1,0,1,0,0|2,0,0]=4 10580 B13R1.670 C/C=C/CN[C@H]1COC[C@H]1C(=O)O 0fa0ea860d3c7248064f890177a29b54 [0,1,0,1,0,0|2,0,0]=4 10581 B13R1.670 C/C=C/COC1CCCC1C(=O)N b55ae60f5365aeb18f1a9149ae6178d7 [0,1,0,1,0,0|2,0,0]=4 10582 B13R1.670 C/C=C/COC1CCCC1C(=O)O 2bc87832abbb1eba5a2efc685213868c [0,1,0,1,0,0|1,0,0]=3 10583 B13R1.670 C/C=C/CO[C@@H]1CCC[C@@H]1C(=O)O aab63b414bcca92d187bb1cc4428403d [0,1,0,1,0,0|1,0,0]=3 10584 B13R1.670 C/C=C/CO[C@@H]1CCC[C@H]1C(=O)O 52970fa73799d3e7de54c7538cc28788 [0,1,0,1,0,0|1,0,0]=3 10585 B13R1.670 C/C=C/CO[C@H]1CCC[C@H]1C(=O)O 4d6dde36025e94054372dfc90c65257e [0,1,0,1,0,0|1,0,0]=3 10586 B13R1.670 C/C=C\CN[C@@H]1CCC[C@@H]1C(=O)O eb41345ef70bc24e9eac1deaeb0af98f [0,1,0,1,0,0|1,0,0]=3 10587 B13R1.670 C/C=C\CN[C@@H]1COC[C@@H]1C(=O)O bb218b4c68883963bd94d7c244fea78b [0,1,0,1,0,0|2,0,0]=4 10588 B13R1.670 C/C=C\CN[C@@H]1COC[C@H]1C(=O)O 77abbfd5522e7dcc8df0afcf8b41d855 [0,1,0,1,0,0|2,0,0]=4 10589 B13R1.670 C/C=C\CN[C@H]1CCC[C@@H]1C(=O)O a677545d08980b86c73c6f98c560dc7e [0,1,0,1,0,0|1,0,0]=3 10590 B13R1.670 C/C=C\CN[C@H]1CCC[C@H]1C(=O)O 98d6fbc3a3903193bf5528c683671b72 [0,1,0,1,0,0|1,0,0]=3 10591 B13R1.670 C/C=C\CN[C@H]1COC[C@@H]1C(=O)O debc3660e631140a4e595bde0a6ff94a [0,1,0,1,0,0|2,0,0]=4 10592 B13R1.670 C/C=C\CN[C@H]1COC[C@H]1C(=O)O c52f03ca137e5b9a4c26cc5d60c54cd7 [0,1,0,1,0,0|2,0,0]=4 10593 B13R1.670 C/C=C\COC1CCCC1C(=O)N 83a491ddc3fbb031e6677fd10f961c0a [0,1,0,1,0,0|2,0,0]=4 10594 B13R1.670 C/C=C\COC1CCCC1C(=O)O ea3d4892e6ad676b3608e4792673a879 [0,1,0,1,0,0|1,0,0]=3 10595 B13R1.670 C/C=C\CO[C@@H]1CCC[C@@H]1C(=O)O e516a25b149db8b63668c573a3fc5a71 [0,1,0,1,0,0|1,0,0]=3 10596 B13R1.670 C/C=C\CO[C@@H]1CCC[C@H]1C(=O)O 36740240d5cf0473b9e8457b4170ca29 [0,1,0,1,0,0|1,0,0]=3 10597 B13R1.670 C/C=C\CO[C@H]1CCC[C@H]1C(=O)O e0f2b239c28a9a207cfc596107669849 [0,1,0,1,0,0|1,0,0]=3 10598 B13R1.670 C=CCCCN1CC=CC1C(=O)O 7dd8b2a6a68cf6829d460a26f92af116 [0,1,0,1,0,0|0,0,2]=4 10599 B13R1.670 C=CCCCN1CC=C[C@H]1C(=O)O 23f934253616988c5a2bd827ec791858 [0,1,0,1,0,0|0,0,2]=4 10600 B13R1.670 C=CCCCN1CCCC1C(=O)N 7d597646fd6a09881804da3fb6550c3f [0,1,0,1,0,0|1,0,0]=3 10601 B13R1.670 C=CCCCN1CCCC1C(=O)O 0be8284ee4d9dc703fc8efe421fde7d0 [0,1,0,1,0,0|0,0,0]=2 10602 B13R1.670 C=CCCCN1CCCC1C(C)O 939923f22ad70c34e7482efa34e680d3 [0,1,0,1,0,0|1,0,1]=4 10603 B13R1.670 C=CCCCN1CCC[C@@H]1C(=O)N 9e3d037cc68257cf7fd7b3c4d146d78e [0,1,0,1,0,0|1,0,0]=3 10604 B13R1.670 C=CCCCN1CCC[C@@H]1C(=O)O 96458aa87435e53c0b891b007924a1a8 [0,1,0,1,0,0|0,0,0]=2 10605 B13R1.670 C=CCCCN1CCC[C@@H]1C(C)O ab799e160733ece73d0c343dd2003b6b [0,1,0,1,0,0|1,0,1]=4 10606 B13R1.670 C=CCCCN1CCC[C@H]1C(=O)N 5828333ffcf668ad9359d2eb2495e4b9 [0,1,0,1,0,0|1,0,0]=3 10607 B13R1.670 C=CCCCN1CCC[C@H]1C(=O)O 7a6c8d4fad00562484351e029e7000e6 [0,1,0,1,0,0|0,0,0]=2 10608 B13R1.670 C=CCCCN1CCC[C@H]1[C@H](C)O 8e7eec69c466c7350e78a32d1802dc34 [0,1,0,1,0,0|1,0,1]=4 10609 B13R1.670 C=CCCCN1CCSC1C(=O)O 03cfab88b466526200e668389871e4b2 [0,1,0,1,0,0|1,0,0]=3 10610 B13R1.670 C=CCCCN1CSCC1C(=O)O bb9c0151e67b73a848669f2c5bbf687e [0,1,0,1,0,0|1,0,0]=3 10611 B13R1.670 C=CCCCN1CSC[C@@H]1C(=O)O f2408fde9a319a82654612e68fc6fd2f [0,1,0,1,0,0|1,0,0]=3 10612 B13R1.670 C=CCCCN1CSC[C@H]1C(=O)O 6bcb0a8422850c827ae3aff499b4df3b [0,1,0,1,0,0|1,0,0]=3 10613 B13R1.670 C=CCCNC1C=CCC1C(=O)O 96f75e2a3d72401d2b0d83f268b8e284 [0,1,0,1,0,0|0,0,2]=4 10614 B13R1.670 C=CCCNC1COCC1C(=O)N f51da6d00ead79db6a2bc8f36a9c3336 [0,1,0,1,0,0|2,0,0]=4 10615 B13R1.670 C=CCCN[C@@H]1CCC[C@@H]1C(=O)O 36cfec016140b2714888cddd69f717b9 [0,1,0,1,0,0|0,0,0]=2 10616 B13R1.670 C=CCCN[C@@H]1COC[C@@H]1C(=O)N 5a78dcbc58253403ac4044af539703b8 [0,1,0,1,0,0|2,0,0]=4 10617 B13R1.670 C=CCCN[C@@H]1COC[C@@H]1C(=O)O f59dd59ba1f1fea605f297d1fb09ad0c [0,1,0,1,0,0|1,0,0]=3 10618 B13R1.670 C=CCCN[C@@H]1COC[C@H]1C(=O)N c9a47650f14de9b9e29156056bb7d06d [0,1,0,1,0,0|2,0,0]=4 10619 B13R1.670 C=CCCN[C@@H]1COC[C@H]1C(=O)O 5d506986db7780bde8d7707c4b6a0697 [0,1,0,1,0,0|1,0,0]=3 10620 B13R1.670 C=CCCN[C@H]1CCC[C@@H]1C(=O)O 2866ad66e81e70cf24e437e484831841 [0,1,0,1,0,0|0,0,0]=2 10621 B13R1.670 C=CCCN[C@H]1CCC[C@H]1C(=O)O ff73800e74a70979ec31b22ade8f1c43 [0,1,0,1,0,0|0,0,0]=2 10622 B13R1.670 C=CCCN[C@H]1COC[C@@H]1C(=O)N 620a84d3deab06a4b05d3b42800dd855 [0,1,0,1,0,0|2,0,0]=4 10623 B13R1.670 C=CCCN[C@H]1COC[C@@H]1C(=O)O 8ed8927e384016707885d4d495b45f0d [0,1,0,1,0,0|1,0,0]=3 10624 B13R1.670 C=CCCN[C@H]1COC[C@H]1C(=O)N ea350fdd51e14dac4bf5316bb3b073f0 [0,1,0,1,0,0|2,0,0]=4 10625 B13R1.670 C=CCCN[C@H]1COC[C@H]1C(=O)O cfb6eea016e1523a90d4e0399513f36b [0,1,0,1,0,0|1,0,0]=3 10626 B13R1.670 C=CCCOC1CCCC1C(=O)N 445176c3f4ad67f4dbba83893e00a812 [0,1,0,1,0,0|1,0,0]=3 10627 B13R1.670 C=CCCOC1CCCC1C(=O)O bc802fc20343fe72ac0fa1f911e8e935 [0,1,0,1,0,0|0,0,0]=2 10628 B13R1.670 C=CCCO[C@@H]1CCC[C@@H]1C(=O)O f22dfebb6102f54b9ff4950069f7c3fb [0,1,0,1,0,0|0,0,0]=2 10629 B13R1.670 C=CCCO[C@@H]1CCC[C@H]1C(=O)O 509faf879ebbe3b90150dc5d9cfb4d37 [0,1,0,1,0,0|0,0,0]=2 10630 B13R1.670 C=CCCO[C@H]1CCC[C@H]1C(=O)O a76e76a05cc9bc00cfc282e87da6fb4f [0,1,0,1,0,0|0,0,0]=2 10631 B13R1.670 C=CCOC[C@@H]1CCCN1C(=O)C c7e76a834875bd98bcc50ba1930df70b [0,1,0,1,0,0|2,0,0]=4 10632 B13R1.670 C=CCOC[C@@H]1CCCN1C(=O)N c64fcd49780e8332e9f323c484722a15 [0,1,0,1,0,0|2,0,0]=4 10633 B13R1.670 C=CCOC[C@H]1CCCN1C(=O)C b70f4057e7731881503ce1242b922584 [0,1,0,1,0,0|2,0,0]=4 10634 B13R1.670 CCCCCN1CCCC1C(=O)O 7501bb5f170e75df87f34da9c060f3cf [0,1,0,1,0,0|0,0,2]=4 10635 B13R1.670 CCCCCN1CCC[C@@H]1C(=O)O 696eb4646a5aedeb4c01baee88c3a84d [0,1,0,1,0,0|0,0,2]=4 10636 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 53f578dd29c93526b25a57c0a032c757 [0,1,0,1,0,0|0,0,2]=4 10637 B13R1.670 CCCCN[C@@H]1CCC[C@@H]1C(=O)O 1ae0b8569cf9a9add47ec52e1dbee0a7 [0,1,0,1,0,0|0,0,2]=4 10638 B13R1.670 CCCCN[C@H]1CCC[C@@H]1C(=O)O 83dabc2287cbf509873a8a4f6782598b [0,1,0,1,0,0|0,0,2]=4 10639 B13R1.670 CCCCN[C@H]1CCC[C@H]1C(=O)O 99a7cd8afcbeec1cb6c4bac2d0533f8d [0,1,0,1,0,0|0,0,2]=4 10640 B13R1.670 CCCCOC1CCCC1C(=O)O d9c4e0f12fb20cd1c7a8309ac1081e86 [0,1,0,1,0,0|0,0,2]=4 10641 B13R1.670 CCCCO[C@@H]1CCC[C@@H]1C(=O)O 276bdcfe96692f65c82bb54a5125e7b6 [0,1,0,1,0,0|0,0,2]=4 10642 B13R1.670 CCCCO[C@@H]1CCC[C@H]1C(=O)O 71b7999169ca81625689d875852522a9 [0,1,0,1,0,0|0,0,2]=4 10643 B13R1.670 CCCCO[C@H]1CCC[C@H]1C(=O)O 3de144c897b72cb1030f8177c0317506 [0,1,0,1,0,0|0,0,2]=4 10644 B13R1.670 COCCCN1CCCC1C(=O)O 068888f0795957ed4ce0fedc8694f2ed [0,1,0,1,0,0|1,0,1]=4 10645 B13R1.670 COCCCN1CCC[C@@H]1C(=O)O 9b1650823e78a109658b7a35ef0879be [0,1,0,1,0,0|1,0,1]=4 10646 B13R1.670 COCCCN1CCC[C@H]1C(=O)O a1b74368eecb4eff05a43ee2a216a97e [0,1,0,1,0,0|1,0,1]=4 10647 B13R1.670 COCCN[C@@H]1CCC[C@@H]1C(=O)O 83eb9a89b61e7f8332518e0c6c8f638d [0,1,0,1,0,0|1,0,1]=4 10648 B13R1.670 COCCN[C@H]1CCC[C@@H]1C(=O)O 1d30d2ee7b5b829f9870b372e3a3233a [0,1,0,1,0,0|1,0,1]=4 10649 B13R1.670 COCCN[C@H]1CCC[C@H]1C(=O)O 1ae80a170d74277cae3af4dabb10c1bf [0,1,0,1,0,0|1,0,1]=4 10650 B13R1.670 COCCOC1CCCC1C(=O)O dad698577ebf5ab196e5f801c3aaf612 [0,1,0,1,0,0|1,0,1]=4 10651 B13R1.670 COCCO[C@@H]1CCC[C@@H]1C(=O)O fe391dab1059dc0e27258f666f3c156c [0,1,0,1,0,0|1,0,1]=4 10652 B13R1.670 COCCO[C@@H]1CCC[C@H]1C(=O)O 55041f4771877fd706a8b54001c4cf67 [0,1,0,1,0,0|1,0,1]=4 10653 B13R1.670 COCCO[C@H]1CCC[C@H]1C(=O)O eb1d7fbe775fa01f4814df89e954c8c3 [0,1,0,1,0,0|1,0,1]=4 10654 B13R1.670 CSCCCN1CCCC1C(=O)O 2f695e044d293a0f2aa59fb8c7c034cc [0,1,0,1,0,0|1,0,1]=4 10655 B13R1.670 CSCCCN1CCC[C@@H]1C(=O)O c39dc6088709ef25d291cc16f745d40f [0,1,0,1,0,0|1,0,1]=4 10656 B13R1.670 CSCCCN1CCC[C@H]1C(=O)O ed0748928168e42c7169ab77ab30f38a [0,1,0,1,0,0|1,0,1]=4 10657 B13R1.670 CSCCN[C@@H]1CCC[C@@H]1C(=O)O 7b27132736330b0823e9b3177dd46290 [0,1,0,1,0,0|1,0,1]=4 10658 B13R1.670 CSCCN[C@H]1CCC[C@@H]1C(=O)O 49564c3a82e41b002bfb207685a34203 [0,1,0,1,0,0|1,0,1]=4 10659 B13R1.670 CSCCN[C@H]1CCC[C@H]1C(=O)O 8a67ce4dca426d0ac4c01bddfe5c3fe5 [0,1,0,1,0,0|1,0,1]=4 10660 B13R1.670 CSCCOC1CCCC1C(=O)O b82c21b2ff8929e98e51db6493d17ce6 [0,1,0,1,0,0|1,0,1]=4 10661 B13R1.670 CSCCO[C@@H]1CCC[C@@H]1C(=O)O 8ab6db6d3bbb33648aaf4edf78e6e2d0 [0,1,0,1,0,0|1,0,1]=4 10662 B13R1.670 CSCCO[C@@H]1CCC[C@H]1C(=O)O 69b5a0b06efd00268ec1ba0a939b0685 [0,1,0,1,0,0|1,0,1]=4 10663 B13R1.670 CSCCO[C@H]1CCC[C@H]1C(=O)O 1c2c9ffa513eaf7f11501d7eba65451a [0,1,0,1,0,0|1,0,1]=4 10664 B13R1.670 N#CCCCN1CCCC1C(=O)O 0cda4ba82a8263670e4be9f0c8c83703 [0,1,0,1,0,0|1,0,1]=4 10665 B13R1.670 N#CCCCN1CCC[C@@H]1C(=O)O 98bf17063218ec03c89693d2c6216e18 [0,1,0,1,0,0|1,0,1]=4 10666 B13R1.670 N#CCCCN1CCC[C@H]1C(=O)O 0cc215f399e540bee00cbd91c8b5b792 [0,1,0,1,0,0|1,0,1]=4 10667 B13R1.670 N#CCCN[C@@H]1CCC[C@@H]1C(=O)O 0859dc8a4c777c2ea278284f6e154f1d [0,1,0,1,0,0|1,0,1]=4 10668 B13R1.670 N#CCCN[C@H]1CCC[C@@H]1C(=O)O 2addb13e07ce6c338d79fd5e4cf5c26a [0,1,0,1,0,0|1,0,1]=4 10669 B13R1.670 N#CCCN[C@H]1CCC[C@H]1C(=O)O 2eb48b1fc9952661df1c3619c4949339 [0,1,0,1,0,0|1,0,1]=4 10670 B13R1.670 N#CCCOC1CCCC1C(=O)O 9a5f1f9572b8a3cdc38087b7378f13c8 [0,1,0,1,0,0|1,0,1]=4 10671 B13R1.670 N#CCCO[C@@H]1CCC[C@@H]1C(=O)O ccdbdf741159f4a38765901de4ed2577 [0,1,0,1,0,0|1,0,1]=4 10672 B13R1.670 N#CCCO[C@@H]1CCC[C@H]1C(=O)O ee5fa154d5e8c4bdfc1613db41706273 [0,1,0,1,0,0|1,0,1]=4 10673 B13R1.670 N#CCCO[C@H]1CCC[C@H]1C(=O)O bdfeeed2c94a1e1bf43306572d0b552b [0,1,0,1,0,0|1,0,1]=4 10674 B13R1.670 NC(=O)C1CCCC1OC/C=C/Cl 3c7dd5b272bc2382c5fce6f3e2c24162 [0,1,0,1,0,0|2,0,0]=4 10675 B13R1.670 NC(=O)C1CCCC1OC/C=C\Cl f0eff2c7f90ade066789bd3ce9ec68df [0,1,0,1,0,0|2,0,0]=4 10676 B13R1.670 NC(=O)C1CCCC1OCCC=O b04127618878cc3bfe57a1d1d16f5874 [0,1,0,1,0,0|2,0,0]=4 10677 B13R1.670 NC(=O)C1CCCN1CCCC=O 4145f737159a548dbf9f9df2330475e2 [0,1,0,1,0,0|2,0,0]=4 10678 B13R1.670 NC(=O)[C@@H]1CCCN1CCCC=O 3d792401d41db3a330a6dae11b7bc6ce [0,1,0,1,0,0|2,0,0]=4 10679 B13R1.670 NC(=O)[C@H]1CCCN1CCCC=O 5c2743b1c7be449fe3112615f5ae0eec [0,1,0,1,0,0|2,0,0]=4 10680 B13R1.670 O=C(O)C1CCCC1OC/C=C/Cl 6dd4a48386927b0d20ce2263f81d0372 [0,1,0,1,0,0|1,0,0]=3 10681 B13R1.670 O=C(O)C1CCCC1OC/C=C\Cl 921564ceee109d9b6fc0fdf69d7e2ec8 [0,1,0,1,0,0|1,0,0]=3 10682 B13R1.670 O=C(O)C1CCCC1OCCCF 971da95fd810683c4222c45cae4c2e68 [0,1,0,1,0,0|1,0,1]=4 10683 B13R1.670 O=C(O)C1CCCC1OCCCS c9a962e14517b6c4b325bdbc0f315372 [0,1,0,1,0,0|1,0,1]=4 10684 B13R1.670 O=C(O)C1CCCN1CCCCF 8bd234e3c5760561b875416b5c473ca8 [0,1,0,1,0,0|1,0,1]=4 10685 B13R1.670 O=C(O)C1CCCN1CCCCO 9abfbeca3e2fb5e8a3c96d9525663a10 [0,1,0,1,0,0|1,0,1]=4 10686 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCF c54181835a90361455023c3cc98c8957 [0,1,0,1,0,0|1,0,1]=4 10687 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCO e6d301d2dfd3c9e680e7b3a01c828052 [0,1,0,1,0,0|1,0,1]=4 10688 B13R1.670 O=C(O)[C@@H]1CCC[C@@H]1NC/C=C/Cl 423d38309daccc38d250cb3f8cafa890 [0,1,0,1,0,0|1,0,0]=3 10689 B13R1.670 O=C(O)[C@@H]1CCC[C@@H]1NC/C=C\Cl 44078dc412ddf3d956533bd5b358d73b [0,1,0,1,0,0|1,0,0]=3 10690 B13R1.670 O=C(O)[C@@H]1CCC[C@@H]1NC/C=C\O bd4d86903f210da03a5eb339c0659a1e [0,1,0,1,0,0|1,0,0]=3 10691 B13R1.670 O=C(O)[C@@H]1CCC[C@@H]1NCCCF 1b91ef4fc15961e8be897b5be0f1d14a [0,1,0,1,0,0|1,0,1]=4 10692 B13R1.670 O=C(O)[C@@H]1CCC[C@@H]1NCCCO 4f83ff0dd611b80c7f12711255f590bf [0,1,0,1,0,0|1,0,1]=4 10693 B13R1.670 O=C(O)[C@@H]1CCC[C@@H]1NCCCS 7c61e907643bd9c1ef9ef9aac5be1d62 [0,1,0,1,0,0|1,0,1]=4 10694 B13R1.670 O=C(O)[C@@H]1CCC[C@@H]1OC/C=C/Cl 2d461a49754b89075ba167f793daef9b [0,1,0,1,0,0|1,0,0]=3 10695 B13R1.670 O=C(O)[C@@H]1CCC[C@@H]1OC/C=C\Cl 84fea2cba203412f7cdfab5e702b4436 [0,1,0,1,0,0|1,0,0]=3 10696 B13R1.670 O=C(O)[C@@H]1CCC[C@@H]1OCCCF bd00bb59f7b6130cfba6f767428be5f0 [0,1,0,1,0,0|1,0,1]=4 10697 B13R1.670 O=C(O)[C@@H]1CCC[C@@H]1OCCCS 6ad8c7543f9f586bf930ce143fa08e65 [0,1,0,1,0,0|1,0,1]=4 10698 B13R1.670 O=C(O)[C@@H]1CCC[C@H]1OC/C=C/Cl 4dff2998bb28cd443da309d9c78917d1 [0,1,0,1,0,0|1,0,0]=3 10699 B13R1.670 O=C(O)[C@@H]1CCC[C@H]1OC/C=C\Cl c92b14d02c5ad3a7157cc45cad690cdc [0,1,0,1,0,0|1,0,0]=3 10700 B13R1.670 O=C(O)[C@@H]1CCC[C@H]1OCCCF 5399e764157cc32752e8f2d4fcab926b [0,1,0,1,0,0|1,0,1]=4 10701 B13R1.670 O=C(O)[C@@H]1CCC[C@H]1OCCCS 20e7ae2999bfd213cc38108db534d494 [0,1,0,1,0,0|1,0,1]=4 10702 B13R1.670 O=C(O)[C@@H]1COC[C@@H]1NC/C=C/Cl 907ac51737e33f1d4e4ad1f4af363b54 [0,1,0,1,0,0|2,0,0]=4 10703 B13R1.670 O=C(O)[C@@H]1COC[C@@H]1NC/C=C\Cl ddec8336e1bfa69fd2f91536a7d74bfa [0,1,0,1,0,0|2,0,0]=4 10704 B13R1.670 O=C(O)[C@@H]1COC[C@@H]1NC/C=C\O ddece51db71a7a012b6dc08aab669375 [0,1,0,1,0,0|2,0,0]=4 10705 B13R1.670 O=C(O)[C@@H]1COC[C@H]1NC/C=C/Cl 33c3681071e96f36b9e3b1001017d34e [0,1,0,1,0,0|2,0,0]=4 10706 B13R1.670 O=C(O)[C@@H]1COC[C@H]1NC/C=C\Cl 69792c8fcafc216f01361f42436e7690 [0,1,0,1,0,0|2,0,0]=4 10707 B13R1.670 O=C(O)[C@@H]1COC[C@H]1NC/C=C\O 5b4389a11fb32dd36025412dfef3371e [0,1,0,1,0,0|2,0,0]=4 10708 B13R1.670 O=C(O)[C@H]1CCCN1CCCCF d708dca3e64f7ca9eef2daa35dc6a547 [0,1,0,1,0,0|1,0,1]=4 10709 B13R1.670 O=C(O)[C@H]1CCCN1CCCCO 0816b8c94b223fa43552e83f09cddabb [0,1,0,1,0,0|1,0,1]=4 10710 B13R1.670 O=C(O)[C@H]1CCC[C@@H]1NC/C=C/Cl 9ea539cd74a2f4efe2bf0dce5bb8a809 [0,1,0,1,0,0|1,0,0]=3 10711 B13R1.670 O=C(O)[C@H]1CCC[C@@H]1NC/C=C\Cl 61148d44710082a908f6b445a7ad4e44 [0,1,0,1,0,0|1,0,0]=3 10712 B13R1.670 O=C(O)[C@H]1CCC[C@@H]1NC/C=C\O a01052f6f714400b3fdbecbe40951ce0 [0,1,0,1,0,0|1,0,0]=3 10713 B13R1.670 O=C(O)[C@H]1CCC[C@@H]1NCCCF 3d88b52b1ee916538071ec651d1532e6 [0,1,0,1,0,0|1,0,1]=4 10714 B13R1.670 O=C(O)[C@H]1CCC[C@@H]1NCCCO d5aebf7b23437940701dee1e91b119d1 [0,1,0,1,0,0|1,0,1]=4 10715 B13R1.670 O=C(O)[C@H]1CCC[C@@H]1NCCCS 7840fd60fd53db424f95051f3ea64231 [0,1,0,1,0,0|1,0,1]=4 10716 B13R1.670 O=C(O)[C@H]1CCC[C@H]1NC/C=C/Cl aceceaac6bf5dc2ed619552b5cf5a63e [0,1,0,1,0,0|1,0,0]=3 10717 B13R1.670 O=C(O)[C@H]1CCC[C@H]1NC/C=C\Cl cb40a2749e41f9edf67e9b53f191cd45 [0,1,0,1,0,0|1,0,0]=3 10718 B13R1.670 O=C(O)[C@H]1CCC[C@H]1NC/C=C\O 39489e35dcec420d24f5f3366b7684f4 [0,1,0,1,0,0|1,0,0]=3 10719 B13R1.670 O=C(O)[C@H]1CCC[C@H]1NCCCF 484351b18b21664cead9d6acbce14939 [0,1,0,1,0,0|1,0,1]=4 10720 B13R1.670 O=C(O)[C@H]1CCC[C@H]1NCCCO 739f9929fa37bb9ecc6421309d5e74f6 [0,1,0,1,0,0|1,0,1]=4 10721 B13R1.670 O=C(O)[C@H]1CCC[C@H]1NCCCS ae1fda57fece8b1c2b597c17a87d040c [0,1,0,1,0,0|1,0,1]=4 10722 B13R1.670 O=C(O)[C@H]1CCC[C@H]1OC/C=C/Cl cf884bd2b35f607fe08e4aacc1070ae6 [0,1,0,1,0,0|1,0,0]=3 10723 B13R1.670 O=C(O)[C@H]1CCC[C@H]1OC/C=C\Cl ed5c994bb599c848d672095506271a41 [0,1,0,1,0,0|1,0,0]=3 10724 B13R1.670 O=C(O)[C@H]1CCC[C@H]1OCCCF 65e452d53fe2dea9aea605ec75faac1d [0,1,0,1,0,0|1,0,1]=4 10725 B13R1.670 O=C(O)[C@H]1CCC[C@H]1OCCCS dfbd25d722d2ec380418c4bf80ea487f [0,1,0,1,0,0|1,0,1]=4 10726 B13R1.670 O=C(O)[C@H]1COC[C@@H]1NC/C=C/Cl 08c30357c36b0dd77a48ed40a2778abe [0,1,0,1,0,0|2,0,0]=4 10727 B13R1.670 O=C(O)[C@H]1COC[C@@H]1NC/C=C\Cl c80624e794cae3afb86f8efd5a82f34e [0,1,0,1,0,0|2,0,0]=4 10728 B13R1.670 O=C(O)[C@H]1COC[C@@H]1NC/C=C\O 7bf4c20b1e2498fc75f87b652f150969 [0,1,0,1,0,0|2,0,0]=4 10729 B13R1.670 O=C(O)[C@H]1COC[C@H]1NC/C=C/Cl 889b114e00e26dba120c3adadaa86031 [0,1,0,1,0,0|2,0,0]=4 10730 B13R1.670 O=C(O)[C@H]1COC[C@H]1NC/C=C\Cl d49aa263d389540558d05fc2c1140f3c [0,1,0,1,0,0|2,0,0]=4 10731 B13R1.670 O=C(O)[C@H]1COC[C@H]1NC/C=C\O 6842e04500e325727b193e9f0f358f3a [0,1,0,1,0,0|2,0,0]=4 10732 B13R1.670 O=CCCCN1CCCC1C(=O)O 7e192f282f4190145aede7d411356781 [0,1,0,1,0,0|1,0,0]=3 10733 B13R1.670 O=CCCCN1CCC[C@@H]1C(=O)O a95f4dd43eca37a058988c468e2abb4b [0,1,0,1,0,0|1,0,0]=3 10734 B13R1.670 O=CCCCN1CCC[C@H]1C(=O)O 54085550e8ff498203350022252943ab [0,1,0,1,0,0|1,0,0]=3 10735 B13R1.670 O=CCCCN1CCSC1C(=O)O c5b822ecea66786b052a3dcc31d0768e [0,1,0,1,0,0|2,0,0]=4 10736 B13R1.670 O=CCCCN1CSCC1C(=O)O 5e7adb081bd7f9e9af97c6dbef8dd183 [0,1,0,1,0,0|2,0,0]=4 10737 B13R1.670 O=CCCCN1CSC[C@@H]1C(=O)O 2b9e0454f98dd2f8d532f9daf5de83f8 [0,1,0,1,0,0|2,0,0]=4 10738 B13R1.670 O=CCCCN1CSC[C@H]1C(=O)O 98a7ad4b5035b9d275a343779e206ee1 [0,1,0,1,0,0|2,0,0]=4 10739 B13R1.670 O=CCCN[C@@H]1CCC[C@@H]1C(=O)O 5d4457fd143d7215f80687d1d08df7c3 [0,1,0,1,0,0|1,0,0]=3 10740 B13R1.670 O=CCCN[C@@H]1COC[C@@H]1C(=O)O e82c694d702ad8610807d0b1e1b68941 [0,1,0,1,0,0|2,0,0]=4 10741 B13R1.670 O=CCCN[C@@H]1COC[C@H]1C(=O)O 6b9e19aff2ed7f84e69a67efa3b96734 [0,1,0,1,0,0|2,0,0]=4 10742 B13R1.670 O=CCCN[C@H]1CCC[C@@H]1C(=O)O 6b08d25b14b96e272e0c5587a8187cc4 [0,1,0,1,0,0|1,0,0]=3 10743 B13R1.670 O=CCCN[C@H]1CCC[C@H]1C(=O)O 92916d42135dbbe49ebdc8e19ff8a178 [0,1,0,1,0,0|1,0,0]=3 10744 B13R1.670 O=CCCN[C@H]1COC[C@@H]1C(=O)O 41101a345e30138ac973e75741940e56 [0,1,0,1,0,0|2,0,0]=4 10745 B13R1.670 O=CCCN[C@H]1COC[C@H]1C(=O)O 958d715ec990670166c3f73057fe1052 [0,1,0,1,0,0|2,0,0]=4 10746 B13R1.670 O=CCCOC1CCCC1C(=O)O 246891e4aefce861e9522794231da8ba [0,1,0,1,0,0|1,0,0]=3 10747 B13R1.670 O=CCCO[C@@H]1CCC[C@@H]1C(=O)O 059b1d40bea56b6b8dd357af235a41c5 [0,1,0,1,0,0|1,0,0]=3 10748 B13R1.670 O=CCCO[C@@H]1CCC[C@H]1C(=O)O 0531c943685cd8d1c6f80443033ded38 [0,1,0,1,0,0|1,0,0]=3 10749 B13R1.670 O=CCCO[C@H]1CCC[C@H]1C(=O)O 2f085bc06fa453494184658acc33a1de [0,1,0,1,0,0|1,0,0]=3 10750 B13R1.1022 C=C(Br)CNC1/C=C\CCCCC1 f234efce065de1723ff6c52f52d0e829 [0,1,0,1,0,0|2,0,0]=4 10751 B13R1.1022 C=C(Br)COC1/C=C/CCCCC1 f9c24cc8e16e886071e11c321d9570e1 [0,1,0,1,0,0|2,0,0]=4 10752 B13R1.1022 C=C(Br)COC1/C=C\CCCCC1 5666d270101ecd5d3bd5fbbb850cec85 [0,1,0,1,0,0|2,0,0]=4 10753 B13R1.1022 C=C(Br)COC1C=CCCCCC1 d58b5001467e31decd2e4a888909b2fa [0,1,0,1,0,0|2,0,0]=4 10754 B13R1.1022 C=C(Br)CO[C@H]1/C=C/CCCCC1 a42b9c2af80a0b5baa8e4c5e99514401 [0,1,0,1,0,0|2,0,0]=4 10755 B13R1.1022 C=C(Br)CO[C@H]1/C=C\CCCCC1 7f2a2b1d9825741c19a4c4e100c744d6 [0,1,0,1,0,0|2,0,0]=4 10756 B13R1.1022 C=C(C)CNC1/C=C\CCCCC1 c36aeac0e8cfa2698eb59cdce5830816 [0,1,0,1,0,0|2,0,0]=4 10757 B13R1.1022 C=C(C)COC1/C=C/CCCCC1 0c97929ff69d931d4d2720678f420c52 [0,1,0,1,0,0|2,0,0]=4 10758 B13R1.1022 C=C(C)COC1/C=C\CCCCC1 36b5afc60bd007bc3c2a4e192fef4271 [0,1,0,1,0,0|2,0,0]=4 10759 B13R1.1022 C=C(C)COC1C=CCCCCC1 f0cf9abb27ff893c166c55c29f108394 [0,1,0,1,0,0|2,0,0]=4 10760 B13R1.1022 C=C(C)CO[C@H]1/C=C/CCCCC1 6d7688ec8ff6e74d112fa6570f759df1 [0,1,0,1,0,0|2,0,0]=4 10761 B13R1.1022 C=C(C)CO[C@H]1/C=C\CCCCC1 281feeb1b42c0cbc5466909a4aa1e4fa [0,1,0,1,0,0|2,0,0]=4 10762 B13R1.1022 C=C(Cl)CNC1/C=C\CCCCC1 ddacf380e8f1344c6a20ae073f53a7da [0,1,0,1,0,0|2,0,0]=4 10763 B13R1.1022 C=C(Cl)COC1/C=C/CCCCC1 8897451eb3a7a9f6b288a755b52b3133 [0,1,0,1,0,0|2,0,0]=4 10764 B13R1.1022 C=C(Cl)COC1/C=C\CCCCC1 d63e68b5b6a46a923fc90a7732740c48 [0,1,0,1,0,0|2,0,0]=4 10765 B13R1.1022 C=C(Cl)COC1C=CCCCCC1 017b12d950f06f7b8befeecf605a7edf [0,1,0,1,0,0|2,0,0]=4 10766 B13R1.1022 C=C(Cl)CO[C@H]1/C=C/CCCCC1 d4337ea1551f3355765432aa76440a37 [0,1,0,1,0,0|2,0,0]=4 10767 B13R1.1022 C=C(Cl)CO[C@H]1/C=C\CCCCC1 41b33c00c34691eebf9c88df905a34b0 [0,1,0,1,0,0|2,0,0]=4 10768 B13R1.1022 C=C(F)CNC1/C=C\CCCCC1 3973703191b5c95923042289c3725b4f [0,1,0,1,0,0|2,0,0]=4 10769 B13R1.1022 C=C(F)COC1/C=C/CCCCC1 de0eb42089d211770c951ad41bd6ac57 [0,1,0,1,0,0|2,0,0]=4 10770 B13R1.1022 C=C(F)COC1/C=C\CCCCC1 86b4fbe8e121aa954425436988cf3bcc [0,1,0,1,0,0|2,0,0]=4 10771 B13R1.1022 C=C(F)COC1C=CCCCCC1 6ba5f6bf93767ebe2d9a8847635a653d [0,1,0,1,0,0|2,0,0]=4 10772 B13R1.1022 C=C(F)CO[C@H]1/C=C/CCCCC1 9bb887fcb898755b6f29e20231e1ea13 [0,1,0,1,0,0|2,0,0]=4 10773 B13R1.1022 C=C(F)CO[C@H]1/C=C\CCCCC1 f43271758a33842e28bfde142b75e922 [0,1,0,1,0,0|2,0,0]=4 10774 B13R1.1022 CC(O)CNC1/C=C\CCCCC1 64a99fbec1a2782d1051a9956eeba821 [0,1,0,1,0,0|1,0,1]=4 10775 B13R1.1022 C[C@@H](O)CNC1/C=C\CCCCC1 c5cc8cf9dc18aa4b07dbd3598872e541 [0,1,0,1,0,0|1,0,1]=4 10776 B13R1.1022 C[C@H](O)CNC1/C=C\CCCCC1 79f99a3b3ff7f5738118e10062e67634 [0,1,0,1,0,0|1,0,1]=4 10777 B13R1.1022 NC(=O)CNC1/C=C\CCCCC1 11d803575a8f923bea232f27d15a20a8 [0,1,0,1,0,0|1,0,0]=3 10778 B13R1.1022 NC(=O)COC1/C=C/CCCCC1 960f28f2ff352b31dcef595c9b11d1d9 [0,1,0,1,0,0|1,0,0]=3 10779 B13R1.1022 NC(=O)COC1/C=C\CCCCC1 690fb7e111fd030b999b1eb6383839d3 [0,1,0,1,0,0|1,0,0]=3 10780 B13R1.1022 NC(=O)COC1C=CCCCCC1 58d04b752dc8d71b8fb6d6a604a5f6d0 [0,1,0,1,0,0|1,0,0]=3 10781 B13R1.1022 NC(=O)CO[C@H]1/C=C/CCCCC1 b68c9023f3b0ef770d488edd2d74ac91 [0,1,0,1,0,0|1,0,0]=3 10782 B13R1.1022 NC(=O)CO[C@H]1/C=C\CCCCC1 eb9258e44a7465ede6abcf06ede83bdf [0,1,0,1,0,0|1,0,0]=3 10783 B13R1.1022 O=C(O)CCN1CCCCCCC1 a14b82353515aefd377f547bac034059 [0,1,0,1,0,0|0,0,2]=4 10784 B13R1.1022 O=C(O)CNC1/C=C\CCCCC1 b1415fa045cec872cf795385676c0d12 [0,1,0,1,0,0|0,0,0]=2 10785 B13R1.1022 O=C(O)CNC1CCCCCCC1 c2c73feb3b8b9bcc610ad9a77cda9a1d [0,1,0,1,0,0|0,0,2]=4 10786 B13R1.1022 O=C(O)COC1/C=C/CCCCC1 01693e763adc930b7fdd8e91a74327bd [0,1,0,1,0,0|0,0,0]=2 10787 B13R1.1022 O=C(O)COC1/C=C\CCCCC1 aa2f7f72dced4f78ac59d58de3ca6d63 [0,1,0,1,0,0|0,0,0]=2 10788 B13R1.1022 O=C(O)COC1C=CCCCCC1 2a09f1593141b32ba8f78a13bf23d032 [0,1,0,1,0,0|0,0,0]=2 10789 B13R1.1022 O=C(O)COC1CCCCCCC1 330e5c3b40bed0a56476ad6153361f77 [0,1,0,1,0,0|0,0,2]=4 10790 B13R1.1022 O=C(O)CO[C@H]1/C=C/CCCCC1 1054ae3cb321e1ab1282ebb2f9e984a0 [0,1,0,1,0,0|0,0,0]=2 10791 B13R1.1022 O=C(O)CO[C@H]1/C=C\CCCCC1 f158ca02d79dca2056cebc9ae5ce2b31 [0,1,0,1,0,0|0,0,0]=2 10792 B13R1.1022 O=[N+]([O-])CNC1/C=C\CCCCC1 b61128cadbf712533164f4608cd92d9f [0,1,0,1,0,0|1,0,1]=4 10793 B13R1.1022 O=[N+]([O-])COC1/C=C/CCCCC1 473669c5a26e9c7cf549174cbc31d0ed [0,1,0,1,0,0|1,0,1]=4 10794 B13R1.1022 O=[N+]([O-])COC1/C=C\CCCCC1 b3516bf4baeee8faea7feaab4462f7e7 [0,1,0,1,0,0|1,0,1]=4 10795 B13R1.1022 O=[N+]([O-])COC1C=CCCCCC1 52fcd3d46b45bcc916f0d082e8e703dd [0,1,0,1,0,0|1,0,1]=4 10796 B13R1.1022 O=[N+]([O-])CO[C@H]1/C=C/CCCCC1 cc7e0291e534bf9d707c39a29dc60e72 [0,1,0,1,0,0|1,0,1]=4 10797 B13R1.1022 O=[N+]([O-])CO[C@H]1/C=C\CCCCC1 e80b47048be6f6e6a0789a5110f96b05 [0,1,0,1,0,0|1,0,1]=4 10798 B13R1.1052 O=C(O)CCCCCCNC1CC1 ce789a676804ab8cac3c43c3e501071c [0,1,0,1,0,0|0,0,2]=4 10799 B13R1.1052 O=C(O)CCCCCCOC1CC1 d87c2a6a9e2308464cdf91a36a070058 [0,1,0,1,0,0|0,0,2]=4 10800 B13R1.1052 O=C(O)CCCCCNCC1CC1 55e40ed106c7f27256369d017570ffcd [0,1,0,1,0,0|0,0,2]=4 10801 B13R1.1052 O=C(O)CCCCCOCC1CC1 9411dba4e574c9b284a00a5f647dd4f3 [0,1,0,1,0,0|0,0,2]=4 10802 B13R1.1052 O=C(O)CCCCNCCC1CC1 01b51213ef7ea33759dfb3293e8a7982 [0,1,0,1,0,0|0,0,2]=4 10803 B13R1.1052 O=C(O)CCCCOCCC1CC1 eab4f83b8c0e44bdd764694a9d4b057f [0,1,0,1,0,0|0,0,2]=4 10804 B13R1.1148 C=CCCCN1CCCCC(C1)O df15ce90e2e721ffdf7489fe61413342 [0,1,0,1,0,0|1,0,1]=4 10805 B13R1.1148 C=CCCCN1CCCC[C@H](C1)O 01958485b012cfcd37274d180ec357e4 [0,1,0,1,0,0|1,0,1]=4 10806 B13R1.1148 C=CCCCN1CCCNC(=O)C1 019fc13d5981fb2b3a4ee864491c2cd3 [0,1,0,1,0,0|2,0,0]=4 10807 B13R1.1148 C=CCCOC1CCCNC(=O)C1 f5fd18efcc26b8ac0b34f2574a725978 [0,1,0,1,0,0|2,0,0]=4 10808 B13R1.1148 C=CCOCC1CCCCC(=O)N1 5f0b2d850edbaeb37f18a3976f424f58 [0,1,0,1,0,0|1,0,0]=3 10809 B13R1.1148 O=CCOCC1CCCCC(=O)N1 ce8c34fd2bec28b586cd09e9d5dd0d7b [0,1,0,1,0,0|2,0,0]=4 10810 B13R1.2852 C#CCCCN1CCC1CC(=O)O 8b8230fe3e9e5b907f026aae710b496a [0,1,0,1,0,0|0,0,2]=4 10811 B13R1.2852 C=CCCCN1CCC1CC(=O)O 85c66c4b9aa813cdf26190d82792ccd8 [0,1,0,1,0,0|0,0,0]=2 10812 B13R1.2852 C=CCCOC1CCC1OC(=O)C ed152ddd8196f5a42be375e50d080239 [0,1,0,1,0,0|2,0,0]=4 10813 B13R1.2852 CCCCCN1CCC1CC(=O)O 3463dfe593752106103b4c86e544596c [0,1,0,1,0,0|0,0,2]=4 10814 B13R1.2852 COCCCN1CCC1CC(=O)O 9dcb859db23a92682f5d7d0fc4523b34 [0,1,0,1,0,0|1,0,1]=4 10815 B13R1.2852 CSCCCN1CCC1CC(=O)O c846915015727b3b9a1ec25033216c4d [0,1,0,1,0,0|1,0,1]=4 10816 B13R1.2852 N#CCCCN1CCC1CC(=O)O a14113d386ef8f0f614067db0ace7416 [0,1,0,1,0,0|1,0,1]=4 10817 B13R1.2852 O=C(O)CC1CCN1CCCCF cbba4144a7f374b3e5352cacb4e3611a [0,1,0,1,0,0|1,0,1]=4 10818 B13R1.2852 O=C(O)CC1CCN1CCCCO 664236fbe58cb1bb092ec4491dcbd441 [0,1,0,1,0,0|1,0,1]=4 10819 B13R1.2852 O=CCCCN1CCC1CC(=O)O cccf949d04369273bfd531ac34f118c1 [0,1,0,1,0,0|1,0,0]=3 10820 B13R1.2970 C=CCCCNCC1CCS1(=O)=O dc5b8481ddb69a1b7f9c68475a3460fb [0,1,0,1,0,0|1,0,1]=4 10821 B13R1.2970 C=CCCCOCC1CCS1(=O)=O aed882ea13bb7346ad51f18cdc66220c [0,1,0,1,0,0|1,0,1]=4 10822 B13R1.3435 C#CCCCCN1CCC1C(=O)O f68ef3d52e59478a9fd169186d154d0c [0,1,0,1,0,0|0,0,2]=4 10823 B13R1.3435 C#CCCCCN1CC[C@@H]1C(=O)O bf3bd6ec5b480cfcc3670e4f2a97fba6 [0,1,0,1,0,0|0,0,2]=4 10824 B13R1.3435 C#CCCCCN1CC[C@H]1C(=O)O 8a05eacdcb01b140c1f2390cc055b6dd [0,1,0,1,0,0|0,0,2]=4 10825 B13R1.3435 C#CCCCN[C@H]1CC[C@H]1C(=O)O 3cfa6fde4bc99f03202cbad16fc50777 [0,1,0,1,0,0|0,0,2]=4 10826 B13R1.3435 C#CCCCOC1CCC1C(=O)O ca9f10775ac38917b011c78eed2642d9 [0,1,0,1,0,0|0,0,2]=4 10827 B13R1.3435 C#CCCCO[C@H]1CC[C@@H]1C(=O)O d852fedf5e47b31d68a71ee751ce7547 [0,1,0,1,0,0|0,0,2]=4 10828 B13R1.3435 C/C=C\CCCN1CCC1C(=O)N 14ed0234c5ed87cc8320935b595dfae7 [0,1,0,1,0,0|2,0,0]=4 10829 B13R1.3435 C/C=C\CCCN1CCC1C(=O)O a2b38a50bef8b22e2db9f65dc0501684 [0,1,0,1,0,0|1,0,0]=3 10830 B13R1.3435 C/C=C\CCCN1CC[C@@H]1C(=O)N f95057826b92e2427783da82b67e709f [0,1,0,1,0,0|2,0,0]=4 10831 B13R1.3435 C/C=C\CCCN1CC[C@@H]1C(=O)O db9dfc72cddb3f7e286f7ef202560dde [0,1,0,1,0,0|1,0,0]=3 10832 B13R1.3435 C/C=C\CCCN1CC[C@H]1C(=O)N 0faef6656d72bb472fbbf8c744c20ea7 [0,1,0,1,0,0|2,0,0]=4 10833 B13R1.3435 C/C=C\CCCN1CC[C@H]1C(=O)O 3b6f76bc744316e62499aa86710ca8fd [0,1,0,1,0,0|1,0,0]=3 10834 B13R1.3435 C=CCCCCN1CCC1C(=O)N 6d5825007b4c8925864d59fa1561ba66 [0,1,0,1,0,0|1,0,0]=3 10835 B13R1.3435 C=CCCCCN1CCC1C(=O)O d90f485a40cde2d784d0f24b24881d78 [0,1,0,1,0,0|0,0,0]=2 10836 B13R1.3435 C=CCCCCN1CC[C@@H]1C(=O)N b29f5b1fb799b5a5c0484a56ee7dad61 [0,1,0,1,0,0|1,0,0]=3 10837 B13R1.3435 C=CCCCCN1CC[C@@H]1C(=O)O b97f4fbd9deaed1e32bd401ed3b22353 [0,1,0,1,0,0|0,0,0]=2 10838 B13R1.3435 C=CCCCCN1CC[C@H]1C(=O)N 6b2fa33f7357e9c48ee0d180dd26c377 [0,1,0,1,0,0|1,0,0]=3 10839 B13R1.3435 C=CCCCCN1CC[C@H]1C(=O)O 856a6ff2aeb38202f5421cb426be364b [0,1,0,1,0,0|0,0,0]=2 10840 B13R1.3435 C=CCCCN[C@H]1CC[C@H]1C(=O)O da1568a55d4aa92dab7c6898f32d98f3 [0,1,0,1,0,0|0,0,0]=2 10841 B13R1.3435 C=CCCCOC1CCC1C(=O)O e977f48016ac83cda5554d328c60413d [0,1,0,1,0,0|0,0,0]=2 10842 B13R1.3435 C=CCCCO[C@H]1CC[C@@H]1C(=O)O 11c07823c3fc87aaff04b50bf99f96a9 [0,1,0,1,0,0|0,0,0]=2 10843 B13R1.3435 C=CCCOCC1CCN1C(=O)C c3ef189ffd5f45654cedec9f31c2aaee [0,1,0,1,0,0|2,0,0]=4 10844 B13R1.3435 C=CCOCCN1CCC1C(=O)N 9dda15270b72cf1863fb455878543817 [0,1,0,1,0,0|2,0,0]=4 10845 B13R1.3435 C=CCOCCN1CCC1C(=O)O 5650f66cd508e40e69e8b6d5e33a5b7a [0,1,0,1,0,0|1,0,0]=3 10846 B13R1.3435 C=CCOCCN1CC[C@@H]1C(=O)N 9e37a0e3c0dae8d2077e45e5c95f44dd [0,1,0,1,0,0|2,0,0]=4 10847 B13R1.3435 C=CCOCCN1CC[C@@H]1C(=O)O a6a8894bb546f24745bcdab7e0d011de [0,1,0,1,0,0|1,0,0]=3 10848 B13R1.3435 C=CCOCCN1CC[C@H]1C(=O)N bbb35de848fb8cb006d2000c502fa597 [0,1,0,1,0,0|2,0,0]=4 10849 B13R1.3435 C=CCOCCN1CC[C@H]1C(=O)O 4d3d0a05f223e85051bb772c12653a70 [0,1,0,1,0,0|1,0,0]=3 10850 B13R1.3435 CCCCCCN1CCC1C(=O)O 9b2a45857490d7256797958957cb43ad [0,1,0,1,0,0|0,0,2]=4 10851 B13R1.3435 CCCCCCN1CC[C@@H]1C(=O)O 9eba1e4962a11225f662a6f2f378e551 [0,1,0,1,0,0|0,0,2]=4 10852 B13R1.3435 CCCCCCN1CC[C@H]1C(=O)O d6ecb35f933e8ef86da4853dda1d83a4 [0,1,0,1,0,0|0,0,2]=4 10853 B13R1.3435 CCCCCN[C@H]1CC[C@H]1C(=O)O 0cfc92e9df4a02a6b6d33e6db773698c [0,1,0,1,0,0|0,0,2]=4 10854 B13R1.3435 CCCCCOC1CCC1C(=O)O a826e933fa68f75a26e631284bdb6dc8 [0,1,0,1,0,0|0,0,2]=4 10855 B13R1.3435 CCCCCO[C@H]1CC[C@@H]1C(=O)O 164787dd678abec822897a4edb816662 [0,1,0,1,0,0|0,0,2]=4 10856 B13R1.3435 COCCCCN1CCC1C(=O)O 8829d4c7de26728d2d0cad0eff95539c [0,1,0,1,0,0|1,0,1]=4 10857 B13R1.3435 COCCCCN1CC[C@@H]1C(=O)O 4326c403e75713eb23dbb285b65f36a1 [0,1,0,1,0,0|1,0,1]=4 10858 B13R1.3435 COCCCCN1CC[C@H]1C(=O)O 1e77610e46fb235ce43e9d707185e350 [0,1,0,1,0,0|1,0,1]=4 10859 B13R1.3435 COCCCN[C@H]1CC[C@H]1C(=O)O 6e051d824bec052af81dc2190b30332e [0,1,0,1,0,0|1,0,1]=4 10860 B13R1.3435 COCCCOC1CCC1C(=O)O 966d0bfb52cdff9848b229ca82cd5d32 [0,1,0,1,0,0|1,0,1]=4 10861 B13R1.3435 COCCCO[C@H]1CC[C@@H]1C(=O)O 125255caf52aebc505fa82a2fd6d0034 [0,1,0,1,0,0|1,0,1]=4 10862 B13R1.3435 CSCCCN[C@H]1CC[C@H]1C(=O)O ab5fee9b26f576417c482fb796989728 [0,1,0,1,0,0|1,0,1]=4 10863 B13R1.3435 CSCCCOC1CCC1C(=O)O c4d0acc0a6c7c8cc68d9cabefa3f81c6 [0,1,0,1,0,0|1,0,1]=4 10864 B13R1.3435 CSCCCO[C@H]1CC[C@@H]1C(=O)O 7ab42fd56bc4599e4b4c549ac45010f7 [0,1,0,1,0,0|1,0,1]=4 10865 B13R1.3435 N#CCCCCN1CCC1C(=O)O 703af33a6e37548be69c599424f4a5d9 [0,1,0,1,0,0|1,0,1]=4 10866 B13R1.3435 N#CCCCCN1CC[C@@H]1C(=O)O 17488d95082603e91c09c2ac9314047a [0,1,0,1,0,0|1,0,1]=4 10867 B13R1.3435 N#CCCCCN1CC[C@H]1C(=O)O 678ff4d6d8e2dd7ea44e8ba1c511ebad [0,1,0,1,0,0|1,0,1]=4 10868 B13R1.3435 N#CCCCN[C@H]1CC[C@H]1C(=O)O 9a14338af71d6ae3130b9de71a90e063 [0,1,0,1,0,0|1,0,1]=4 10869 B13R1.3435 N#CCCCOC1CCC1C(=O)O 5aa62b914b3d3fa7a43f5b686a106de4 [0,1,0,1,0,0|1,0,1]=4 10870 B13R1.3435 N#CCCCO[C@H]1CC[C@@H]1C(=O)O 2e27b07d34a665e40b6b7081c309b28b [0,1,0,1,0,0|1,0,1]=4 10871 B13R1.3435 NC(=O)C1CCN1CCCCC=O cffba9c1d69db7f72e44c944f7bf04a2 [0,1,0,1,0,0|2,0,0]=4 10872 B13R1.3435 NC(=O)[C@@H]1CCN1CCCCC=O 30364cb246db03e30cee30d32e7a5e28 [0,1,0,1,0,0|2,0,0]=4 10873 B13R1.3435 NC(=O)[C@H]1CCN1CCCCC=O 0926af492a01624f553ce86d08182a6d [0,1,0,1,0,0|2,0,0]=4 10874 B13R1.3435 NOCCCCN1CCC1C(=O)O 1b976d36b2d58839826153976b11129a [0,1,0,1,0,0|2,0,0]=4 10875 B13R1.3435 NOCCCCN1CC[C@@H]1C(=O)O cc0fe8ec08383e40cc089353a43cd362 [0,1,0,1,0,0|2,0,0]=4 10876 B13R1.3435 NOCCCCN1CC[C@H]1C(=O)O f37a0e91ffa238e21badfde9cbde6f43 [0,1,0,1,0,0|2,0,0]=4 10877 B13R1.3435 O=C(O)C1CCC1OCCCCF ba0f79297c60037b1300b56c0af69178 [0,1,0,1,0,0|1,0,1]=4 10878 B13R1.3435 O=C(O)C1CCN1CCCCCF f30fd0146cb593adcdb34c34ca6a36e9 [0,1,0,1,0,0|1,0,1]=4 10879 B13R1.3435 O=C(O)C1CCN1CCCCCO 1c1f296b9a12ca84e5b585045c77e682 [0,1,0,1,0,0|1,0,1]=4 10880 B13R1.3435 O=C(O)[C@@H]1CCN1CCCCCF 1256f4d25ce8c1932d0f3115d24689ef [0,1,0,1,0,0|1,0,1]=4 10881 B13R1.3435 O=C(O)[C@@H]1CCN1CCCCCO 8f9c02d30f59fbd6e1f2c266ef328dfa [0,1,0,1,0,0|1,0,1]=4 10882 B13R1.3435 O=C(O)[C@@H]1CC[C@@H]1NCCCCF 5f7f70424ea7b8ba57181c082d415f67 [0,1,0,1,0,0|1,0,1]=4 10883 B13R1.3435 O=C(O)[C@@H]1CC[C@@H]1NCCCCO 1dfdd098c6ecd90a6f97e9a750cebdac [0,1,0,1,0,0|1,0,1]=4 10884 B13R1.3435 O=C(O)[C@H]1CCN1CCCCCF 54aa317a0235bc55aef80783bef80b9b [0,1,0,1,0,0|1,0,1]=4 10885 B13R1.3435 O=C(O)[C@H]1CCN1CCCCCO 8cde0316550f026ad937a61f5f451f34 [0,1,0,1,0,0|1,0,1]=4 10886 B13R1.3435 O=C(O)[C@H]1CC[C@@H]1OCCCCF fb66daaa51048f90d466089ff3ad743f [0,1,0,1,0,0|1,0,1]=4 10887 B13R1.3435 O=CCCCCN1CCC1C(=O)O 298a4798efd5bd620c81b2acaf05ea44 [0,1,0,1,0,0|1,0,0]=3 10888 B13R1.3435 O=CCCCCN1CC[C@@H]1C(=O)O 8b37404ea1e047cc918b8a8c49766a15 [0,1,0,1,0,0|1,0,0]=3 10889 B13R1.3435 O=CCCCCN1CC[C@H]1C(=O)O 4482eb3a59c35d1e394f5e3fe8f7536f [0,1,0,1,0,0|1,0,0]=3 10890 B13R1.3435 O=CCCCN[C@H]1CC[C@H]1C(=O)O abdb2bef6bd24e8e7ba7c31278c42479 [0,1,0,1,0,0|1,0,0]=3 10891 B13R1.3435 O=CCCCOC1CCC1C(=O)O 39704c8630d6b2de2858e80212dd3002 [0,1,0,1,0,0|1,0,0]=3 10892 B13R1.3435 O=CCCCO[C@H]1CC[C@@H]1C(=O)O 6eade964058bc14ce6f43a8597cd96a2 [0,1,0,1,0,0|1,0,0]=3 10893 B13R1.3435 O=CCOCCN1CCC1C(=O)O dc0cc855b22d6e60d328f3888e59face [0,1,0,1,0,0|2,0,0]=4 10894 B13R1.3435 O=CCOCCN1CC[C@@H]1C(=O)O 91e13b7d94d18ec51e10eacd34ff409e [0,1,0,1,0,0|2,0,0]=4 10895 B13R1.3435 O=CCOCCN1CC[C@H]1C(=O)O c92114509fe690cfa6cb4ca2a30d5b97 [0,1,0,1,0,0|2,0,0]=4 10896 B13R1.9 C=CCCCNC1CCC(=O)CC1 d129410a6727646dada8192b6ba2d554 [0,1,0,1,0,0|2,0,0]=4 10897 B13R1.9 C=CCCCNC1CCC(=O)NC1 82626a6d5e09a04a38193cecd714e729 [0,1,0,1,0,0|2,0,0]=4 10898 B13R1.9 C=CCCCN[C@@H]1CCC(=O)NC1 5f9396ecf61df66516d3bd1f2ca985a4 [0,1,0,1,0,0|2,0,0]=4 10899 B13R1.9 C=CCCCN[C@H]1CCC(=O)NC1 6c42fb2acbad48f303f12dcd6de1cd94 [0,1,0,1,0,0|2,0,0]=4 10900 B13R1.9 C=CCCCOC1CCC(=O)CC1 e67c3bed259f78c12c85d43467763b63 [0,1,0,1,0,0|2,0,0]=4 10901 B13R1.9 C=CCCCOC1CCC(=O)NC1 9dcaa330747bf83c7185687c7cd645f8 [0,1,0,1,0,0|2,0,0]=4 10902 B13R1.9 C=CCCCOC1CCC(=O)OC1 7b47a68dea483f05b34ce6a8b9eca5ab [0,1,0,1,0,0|1,0,0]=3 10903 B13R1.9 C=CCCCO[C@@H]1CCC(=O)NC1 fcb6c6213f433aeb707cef1d302837c6 [0,1,0,1,0,0|2,0,0]=4 10904 B13R1.9 C=CCCCO[C@H]1CCC(=O)NC1 6c7ab00a1f6f84989dc0faafe1bcc917 [0,1,0,1,0,0|2,0,0]=4 10905 B13R1.9 C=CCCNCC1CCC(=O)CC1 856405be30abce49c37dd14d6463eb80 [0,1,0,1,0,0|2,0,0]=4 10906 B13R1.9 C=CCCNCC1CCC(=O)NC1 6b448ac1bb0da17550a4317a84360531 [0,1,0,1,0,0|2,0,0]=4 10907 B13R1.9 C=CCCNCC1CNC(=O)CO1 becf25b54d4172f77b0393b24234d029 [0,1,0,1,0,0|2,0,0]=4 10908 B13R1.9 C=CCCOCC1CCC(=O)CC1 afae3eadd3f83299f1b8e7f86a0d2014 [0,1,0,1,0,0|2,0,0]=4 10909 B13R1.9 C=CCCOCC1CCC(=O)NC1 fbbc7bc6eacc1d9e4cf3adde96da6454 [0,1,0,1,0,0|2,0,0]=4 10910 B13R1.9 C=CCCOCC1CNC(=O)CO1 e31c604ab3ff735822800a681bc26e7e [0,1,0,1,0,0|2,0,0]=4 10911 B13R1.9 C=CCCOC[C@@H]1CNC(=O)CO1 f3da9f9086f15accb1a66048a5c7cc16 [0,1,0,1,0,0|2,0,0]=4 10912 B13R1.9 C=CCCOC[C@H]1CNC(=O)CO1 1a825e2188e18601fe2709270d0f89d1 [0,1,0,1,0,0|2,0,0]=4 10913 B13R1.9 C=CCOCCC1CCC(=O)CC1 3b4ce4901ad7af9b009a50c6fd6e142c [0,1,0,1,0,0|2,0,0]=4 10914 B13R1.9 O=CCCCOC1CCC(=O)OC1 56f329eb28a50582f9f03b3fa478f5b2 [0,1,0,1,0,0|2,0,0]=4 10915 B13R1.16 C=CCOCC1CCCC(=O)N1C 4c57a93b6fd91600d456b1cf6baab4f8 [0,1,0,1,0,0|2,0,0]=4 10916 B13R1.91 COC(=O)CN1CCCCC1C=O 6d7bdcf149c9d72948ccfe8d18e34f54 [0,1,0,1,0,0|2,0,0]=4 10917 B13R1.91 O=CC1CCCCN1CC(=O)CO 04696b0cee7c5a1cf8f845ca0f1f6a37 [0,1,0,1,0,0|2,0,0]=4 10918 B13R1.382 C=CCN1CCCCC1C(=O)OC a80592cea0a441fe23bf778df3340ff0 [0,1,0,1,0,0|1,0,0]=3 10919 B13R1.382 C=CCN1CCCC[C@@H]1C(=O)NC 08e228d123c9321f8aa2ffd1ec9afa13 [0,1,0,1,0,0|2,0,0]=4 10920 B13R1.382 C=CCN1CCCC[C@@H]1C(=O)OC 590affe8d525d99f20f61dc1b02697fd [0,1,0,1,0,0|1,0,0]=3 10921 B13R1.382 C=CCN1CCCC[C@H]1C(=O)OC 65030ed2b43974c0bab9d9e04b07817c [0,1,0,1,0,0|1,0,0]=3 10922 B13R1.382 C=CCN1CCOCC1C(=O)OC 682488efcdd6c0b052867c20a213c2c4 [0,1,0,1,0,0|2,0,0]=4 10923 B13R1.382 C=CCN1CCOC[C@@H]1C(=O)OC a1afe2902169336e90a16bbadb72f054 [0,1,0,1,0,0|2,0,0]=4 10924 B13R1.382 C=CCN1CCOC[C@H]1C(=O)OC bf0152e39a06cf46226f6de6d0407613 [0,1,0,1,0,0|2,0,0]=4 10925 B13R1.382 COC(=O)C1CCCCN1CC=O 9c6b14f2f374df1443b6e91e4b3e229b [0,1,0,1,0,0|2,0,0]=4 10926 B13R1.382 COC(=O)[C@@H]1CCCCN1CC=O 2a24928037c909fe6511fa83340a757c [0,1,0,1,0,0|2,0,0]=4 10927 B13R1.382 COC(=O)[C@H]1CCCCN1CC=O 65ce5d0cb3f0eaa24ac31d27d7ce15a4 [0,1,0,1,0,0|2,0,0]=4 10928 B13R1.528 COC(=O)COC1CCCCC1=O 4d55702e641bdaf958737147a4b4b17e [0,1,0,1,0,0|2,0,0]=4 10929 B13R1.536 C=CC(=O)CCCOC1C=CCC1 825a53b9341f893f506b9fb5856d1172 [0,1,0,1,0,0|2,0,0]=4 10930 B13R1.536 CNC(=O)CCCOC1C=CCC1 1abd61c203f0ddeeda6274ead90f14ed [0,1,0,1,0,0|2,0,0]=4 10931 B13R1.536 CNC(=O)CCOCC1C=CCC1 a71d7e5bbe52b3725c43ef42fee90205 [0,1,0,1,0,0|2,0,0]=4 10932 B13R1.536 COC(=O)CCCOC1C=CCC1 02591527e8cf1f3796acc04b0a2b63a8 [0,1,0,1,0,0|1,0,0]=3 10933 B13R1.536 COC(=O)CCOCC1C=CCC1 636d0175179b3b902ab0c81e16df7da2 [0,1,0,1,0,0|1,0,0]=3 10934 B13R1.536 COC(=O)OCOCC1C=CCC1 732d673b7ba904cb93c84830cd1ab62f [0,1,0,1,0,0|2,0,0]=4 10935 B13R1.581 C=CCCN1CCCC1C(=O)NC fd549c26450ba87479a2b8dba1825b5d [0,1,0,1,0,0|2,0,0]=4 10936 B13R1.581 C=CCCN1CCCC1C(=O)OC 1e0ed890f247f5a5adff634833060193 [0,1,0,1,0,0|1,0,0]=3 10937 B13R1.581 C=CCCN1CCC[C@@H]1C(=O)NC a95350d993026583a933225fbf8ef933 [0,1,0,1,0,0|2,0,0]=4 10938 B13R1.581 C=CCCN1CCC[C@H]1C(=O)NC f8ad989ce0d705d9f9ccc2e7e6c0f1c0 [0,1,0,1,0,0|2,0,0]=4 10939 B13R1.581 C=CCCN1CCC[C@H]1C(=O)NO d44df38a6d69ff7bbda3b21183d457c9 [0,1,0,1,0,0|1,0,0]=3 10940 B13R1.581 C=CCCN1CCC[C@H]1C(=O)OC 3fe3c0e89f6861551ce230be36ab066a [0,1,0,1,0,0|1,0,0]=3 10941 B13R1.581 C=CCCN1CSCC1C(=O)OC 35cc93b8b4dcd4f7c00b8f82835c1cbd [0,1,0,1,0,0|2,0,0]=4 10942 B13R1.581 C=CCCN1CSC[C@H]1C(=O)OC f6c31dd3927371d98512b98590593097 [0,1,0,1,0,0|2,0,0]=4 10943 B13R1.581 C=CCN[C@@H]1COC[C@H]1C(=O)OC 391204bc1eef07f101724dfa08191d90 [0,1,0,1,0,0|2,0,0]=4 10944 B13R1.581 C=CCOC1CCCC1C(=O)OC 1d422150003a7c87f26c3d03fb707016 [0,1,0,1,0,0|1,0,0]=3 10945 B13R1.581 C=CCO[C@@H]1CCC[C@@H]1C(=O)OC c37cae8031b5e268df8ca4c6a787c24b [0,1,0,1,0,0|1,0,0]=3 10946 B13R1.581 C=CCO[C@H]1CCC[C@H]1C(=O)OC 5bfd4ae8ebf0427c5076b977647ac0a1 [0,1,0,1,0,0|1,0,0]=3 10947 B13R1.581 COC(=O)C1CCCC1OCC=O 08d11a1620e6b86e2811efa4de76c757 [0,1,0,1,0,0|2,0,0]=4 10948 B13R1.581 COC(=O)C1CCCN1CCC=O fe82e776dccba111650ff74b52effb34 [0,1,0,1,0,0|2,0,0]=4 10949 B13R1.581 COC(=O)[C@@H]1CCCN1CCC=O 7d3e1352be8335d63bea30984e958624 [0,1,0,1,0,0|2,0,0]=4 10950 B13R1.581 COC(=O)[C@@H]1CCC[C@@H]1OCC=O 65f609f852509ecdb41aefc2b0d40944 [0,1,0,1,0,0|2,0,0]=4 10951 B13R1.581 COC(=O)[C@H]1CCC[C@H]1OCC=O f1f24b0649f8f534f7dc511328a84b9c [0,1,0,1,0,0|2,0,0]=4 10952 B13R1.581 O=CCCN1CCC[C@H]1C(=O)NO fe1f660a1c4356deff4756fcac2a8488 [0,1,0,1,0,0|2,0,0]=4 10953 B13R1.595 COC(=O)CCCOC1CCC1=O 601c9fcd6b7e1168abf511306d8564e9 [0,1,0,1,0,0|2,0,0]=4 10954 B13R1.595 COC(=O)CCOCC1CCC1=O 2373ddfc58d826461e8d222489634bc3 [0,1,0,1,0,0|2,0,0]=4 10955 B13R1.595 COC(=O)CNCCC1CCC1=O c2c5eb619686582266977aed406e7568 [0,1,0,1,0,0|2,0,0]=4 10956 B13R1.595 COC(=O)COCCC1CCC1=O 23cda919586e4d11076f8bb05e8d4540 [0,1,0,1,0,0|2,0,0]=4 10957 B13R1.595 O=C(CNCCC1CCC1=O)NO 371570b67da55091da41a76729927ef9 [0,1,0,1,0,0|2,0,0]=4 10958 B13R1.599 COC(=O)CCOC1CCCC1=O 225af6256411d525bc139fe7162b1917 [0,1,0,1,0,0|2,0,0]=4 10959 B13R1.599 COC(=O)COCC1CCCC1=O 7eabb6e22960d672122f4d0dad566515 [0,1,0,1,0,0|2,0,0]=4 10960 B13R1.619 COC(=O)CCCNC1CC1C=O 58b2f75f45c8c317a740c8a6283dc835 [0,1,0,1,0,0|2,0,0]=4 10961 B13R1.667 C=CCCCCCNC1CCC1=O 229f343d6cb23663f4926af1fa9e0c24 [0,1,0,1,0,0|2,0,0]=4 10962 B13R1.667 C=CCCCCCN[C@H]1CNC1=O c60f10dfa19eef29ced17cbda304b5d9 [0,1,0,1,0,0|2,0,0]=4 10963 B13R1.667 C=CCCCCCOC1CCC1=O c9a3316dc5805b5b0646612188ac18e4 [0,1,0,1,0,0|2,0,0]=4 10964 B13R1.667 C=CCCCCNCC1COC1=O 902aeead5d55694e9e436ec7f0e821ba [0,1,0,1,0,0|1,0,0]=3 10965 B13R1.667 C=CCCCCOCC1CCC1=O f43552e6541db0c2d6748c2af10dd7e3 [0,1,0,1,0,0|2,0,0]=4 10966 B13R1.667 C=CCCCCOCC1COC1=O b7e143340bbea3fddd4c2cb4d12d7d1d [0,1,0,1,0,0|1,0,0]=3 10967 B13R1.667 C=CCCCNCCC1CCC1=O c64203eadd28c8cc7442c3b83e13b004 [0,1,0,1,0,0|2,0,0]=4 10968 B13R1.667 C=CCCCOCCC1CCC1=O d1ac9cc8b9376d47a9e7d62dcc3dbd89 [0,1,0,1,0,0|2,0,0]=4 10969 B13R1.667 C=CCOCCOCC1COC1=O b46d93543f057c44398c336fe3b92cc9 [0,1,0,1,0,0|2,0,0]=4 10970 B13R1.667 C=COCCCNCC1COC1=O 7d968ccd9e8d7bd2cdedd7ca5644c2cf [0,1,0,1,0,0|2,0,0]=4 10971 B13R1.667 O=CCCCCOCC1COC1=O ffd6d1f7909e400c46fd4faa48c054df [0,1,0,1,0,0|2,0,0]=4 10972 B13R1.718 CNC(=O)CCNC1C=CCCC1 0244e960a0df1e71f65762a94d0e8d71 [0,1,0,1,0,0|2,0,0]=4 10973 B13R1.718 CNC(=O)CCOC1C=CCCC1 780cccb5993c10e0b0bdd5a470a7af93 [0,1,0,1,0,0|2,0,0]=4 10974 B13R1.718 COC(=O)CCNC1C=CCCC1 139c2664339f20d2865829c2c055991a [0,1,0,1,0,0|1,0,0]=3 10975 B13R1.718 COC(=O)CCOC1C=CCCC1 898d21e3c73beab648da1e418c276995 [0,1,0,1,0,0|1,0,0]=3 10976 B13R1.718 COC(=O)OCNC1C=CCCC1 29c6d9180fc9c74b65ddade5dc18774d [0,1,0,1,0,0|2,0,0]=4 10977 B13R1.718 COC(=O)OCOC1C=CCCC1 d8cd0ba4f6635e409fcb98366fcddfaa [0,1,0,1,0,0|2,0,0]=4 10978 B13R1.718 O=C(CCNC1C=CCCC1)NO 5da2d36d1bf59b4a4e3babdfa8541aeb [0,1,0,1,0,0|1,0,0]=3 10979 B13R1.1870 C#CC(=O)NC1/C=C\CCCCC1 bc2ee4bd2ddf8a0121950c4fbccacdae [0,1,0,1,0,0|2,0,0]=4 10980 B13R1.1870 C=CC(=O)NC1/C=C\CCCCC1 ad7b16f9d52ed47a30984451b5310290 [0,1,0,1,0,0|2,0,0]=4 10981 B13R1.1870 CCC(=O)NC1/C=C\CCCCC1 9c0e073e175f821bb009fe0f40badf5d [0,1,0,1,0,0|2,0,0]=4 10982 B13R1.1870 O=C(CF)NC1/C=C\CCCCC1 5e65b8d1c8b3ab933615185132e662c2 [0,1,0,1,0,0|2,0,0]=4 10983 B13R1.1870 O=C(CO)NC1/C=C\CCCCC1 66c1305b00fa4a88ad2fe33e71f1a742 [0,1,0,1,0,0|1,0,0]=3 10984 B13R1.1870 O=CC(=O)NC1/C=C\CCCCC1 50c723462b5effe77ad44814b64f201d [0,1,0,1,0,0|1,0,1]=4 10985 B13R1.1885 C=CCCCCN1CC1C(=O)OC f259d5094f9507bde831d0bc3225cc6c [0,1,0,1,0,0|1,0,0]=3 10986 B13R1.1885 C=CCCCCN1C[C@H]1C(=O)OC b87429c12fbb02e94ab02e236f478046 [0,1,0,1,0,0|1,0,0]=3 10987 B13R1.1885 C=CCCCNC1CC1C(=O)OC edd3651343eca3f04bedf11e9b99fad6 [0,1,0,1,0,0|1,0,0]=3 10988 B13R1.1885 C=CCCCOC1CC1C(=O)OC 489a0840cb1f0be4d60b96cf2d2bcac7 [0,1,0,1,0,0|1,0,0]=3 10989 B13R1.1885 C=CCCNC[C@@H]1C[C@H]1C(=O)OC 1cc204c2e253371311b0f8eb40ef39f6 [0,1,0,1,0,0|1,0,0]=3 10990 B13R1.1885 C=CCCOCC1CC1C(=O)OC 334ff833dd9e8913b7dcb93a7acc2a05 [0,1,0,1,0,0|1,0,0]=3 10991 B13R1.1885 C=CCCOC[C@@H]1C[C@@H]1C(=O)OC 445e296da77736ac3ca0533294965239 [0,1,0,1,0,0|1,0,0]=3 10992 B13R1.1885 C=CCCOC[C@@H]1C[C@H]1C(=O)OC 41d981ef5f31f87596c3a24b2aac3550 [0,1,0,1,0,0|1,0,0]=3 10993 B13R1.1885 C=CCCOC[C@H]1C[C@@H]1C(=O)OC 9ef721c905541e73a84719d64fc8cd8f [0,1,0,1,0,0|1,0,0]=3 10994 B13R1.1885 C=CCOCCN1CC1C(=O)OC 5c58469df94ab2c5cf64afb675a46049 [0,1,0,1,0,0|2,0,0]=4 10995 B13R1.1885 C=CCOCCN1C[C@H]1C(=O)OC 53f6632c1c3cb9f27f555d4012732c02 [0,1,0,1,0,0|2,0,0]=4 10996 B13R1.1885 C=CCOCC[C@H]1C[C@@H]1C(=O)OC 73160ba8b6d3c70f9f12dc913174bad8 [0,1,0,1,0,0|1,0,0]=3 10997 B13R1.1885 C=COCCNC1CC1C(=O)OC 14b5e90b642b19979d4475e7316a071b [0,1,0,1,0,0|2,0,0]=4 10998 B13R1.1885 C=COCCOC1CC1C(=O)OC 8fcf04d366a79b853df8dca0ddf9f201 [0,1,0,1,0,0|2,0,0]=4 10999 B13R1.1885 COC(=O)C1CC1COCCC=O 928b7a9f5e8e2618a507c005ef83dac4 [0,1,0,1,0,0|2,0,0]=4 11000 B13R1.1885 COC(=O)C1CC1OCCCC=O 278ec304ff7197a9d5cfbcbdcabd8581 [0,1,0,1,0,0|2,0,0]=4 11001 B13R1.1885 COC(=O)C1CN1CCCCC=O f183afdf8ea6d228938bb9ce75d71a1e [0,1,0,1,0,0|2,0,0]=4 11002 B13R1.1885 COC(=O)[C@@H]1CN1CCCCC=O 257cc596d38843049f3094d3d7ee6ed5 [0,1,0,1,0,0|2,0,0]=4 11003 B13R1.1885 COC(=O)[C@@H]1C[C@H]1COCCC=O 81f58d1dadb71b7da4ef898bd8af49ee [0,1,0,1,0,0|2,0,0]=4 11004 B13R1.1885 COC(=O)[C@H]1C[C@@H]1CCOCC=O 14fcb2721b14334c437cd8b2493ebb8c [0,1,0,1,0,0|2,0,0]=4 11005 B13R1.1885 COC(=O)[C@H]1C[C@@H]1COCCC=O 937a435d74c3b06a7efebd48c59f446e [0,1,0,1,0,0|2,0,0]=4 11006 B13R1.1885 COC(=O)[C@H]1C[C@H]1COCCC=O 8a70ef13334e8d1f9d37888a42dc7572 [0,1,0,1,0,0|2,0,0]=4 11007 B13R1.2855 C=CCCCN1CC[C@@H]1C(=O)OC 07a06366175562a92fcb90566bae0a8d [0,1,0,1,0,0|1,0,0]=3 11008 B13R1.2855 C=CCOCC1CCC1C(=O)OC c2a433c1149809a2760294c46f06dd5a [0,1,0,1,0,0|1,0,0]=3 11009 B13R1.2855 COC(=O)C1CCC1COCC=O 914dfce76b326e0629154155c08a9227 [0,1,0,1,0,0|2,0,0]=4 11010 B13R1.2855 COC(=O)[C@H]1CCN1CCCC=O 6e9cbb2da247a44f611c3132a1996835 [0,1,0,1,0,0|2,0,0]=4 11011 B13R1.3440 C=CCCCNC1CCN(C1=O)O 6bef28f43bdfaf85a333488186e933b8 [0,1,0,1,0,0|2,0,0]=4 11012 B13R1.3440 C=CCCCN[C@@H]1CCN(C1=O)O 6f4f31e7b30f4d1b793f9e46b3d4d460 [0,1,0,1,0,0|2,0,0]=4 11013 B13R1.3440 C=CCCCOC1CCC(=O)N1C adccc84e4b48e0a1d40e734e68ba02ed [0,1,0,1,0,0|2,0,0]=4 11014 B13R1.3440 C=CCCNCC1CCC(=O)N1C daf7c299a6423b48c7d7fd39098e70ef [0,1,0,1,0,0|2,0,0]=4 11015 B13R1.3440 C=CCCNC[C@@H]1CCC(=O)N1C bd447aae49c4f2d42650c3981b1452b8 [0,1,0,1,0,0|2,0,0]=4 11016 B13R1.3440 C=CCCNC[C@H]1CCC(=O)N1C 16b28b4c3a80cb25223a76189949cd9a [0,1,0,1,0,0|2,0,0]=4 11017 B13R1.3440 C=CCCOCC1CCC(=O)N1C 6adee35e89e9ed69065c888048302f6a [0,1,0,1,0,0|2,0,0]=4 11018 B13R1.3440 C=CCCOC[C@@H]1CCC(=O)N1C e35d7735e301c71b1423bb89824c8acc [0,1,0,1,0,0|2,0,0]=4 11019 B13R1.3440 C=CCCOC[C@H]1CCC(=O)N1C bb13f16958157b54207eb5faff0175d5 [0,1,0,1,0,0|2,0,0]=4 11020 B13R1.89 CC(C(=O)O)N1CCCCC1C=O acff21e967c742f75e06a99826c164ef [0,1,0,1,0,0|2,0,0]=4 11021 B13R1.89 C[C@@H](C(=O)O)N1CCCCC1C=O 518661018ad0c6dbc2a1a6a89c906475 [0,1,0,1,0,0|2,0,0]=4 11022 B13R1.89 C[C@H](C(=O)O)N1CCCCC1C=O 8588ff5f7b2aacf7dee70ba43c0191ed [0,1,0,1,0,0|2,0,0]=4 11023 B13R1.89 O=CC1CCCCN1C(F)C(=O)O 3274d5b9c7eccfb02b3e32f697a4ec85 [0,1,0,1,0,0|2,0,0]=4 11024 B13R1.89 O=CC1CCCCN1[C@@H](F)C(=O)O 15620700f109032f9c8c9df48afe9c57 [0,1,0,1,0,0|2,0,0]=4 11025 B13R1.169 CC(CNC1CCCC1=O)C(=O)O 37a49796861e2931ff103f44a41c5f82 [0,1,0,1,0,0|2,0,0]=4 11026 B13R1.169 CC(COC1CCCC1=O)C(=O)O 381a1a6de9bd692c039bbde0da0f68aa [0,1,0,1,0,0|2,0,0]=4 11027 B13R1.169 C[C@@H](CNC1CCCC1=O)C(=O)O d485ddb62b9bbd1708f28f505e0ac3f1 [0,1,0,1,0,0|2,0,0]=4 11028 B13R1.169 C[C@@H](COC1CCCC1=O)C(=O)O 966c2febe765e76afb8ac7a2e1362773 [0,1,0,1,0,0|2,0,0]=4 11029 B13R1.169 C[C@H](CNC1CCCC1=O)C(=O)O 73cec4939b8f43809d2911fcff26dd4c [0,1,0,1,0,0|2,0,0]=4 11030 B13R1.169 C[C@H](COC1CCCC1=O)C(=O)O 3c9eb37bef342c85468bd536938094d9 [0,1,0,1,0,0|2,0,0]=4 11031 B13R1.278 CC(COCC1CCC1=O)C(=O)O 674fa27fa058a26711cbe8bdd51e12ff [0,1,0,1,0,0|2,0,0]=4 11032 B13R1.278 CC(NCCC1CCC1=O)C(=O)O 063d64482994b9bbf52c694928a9f3ec [0,1,0,1,0,0|2,0,0]=4 11033 B13R1.278 CC(OCCC1CCC1=O)C(=O)O eb0ab75b3a617278ad000e60b018e136 [0,1,0,1,0,0|2,0,0]=4 11034 B13R1.278 C[C@@H](NCCC1CCC1=O)C(=O)O 90f2b5d20494dd77380a44f00153ce71 [0,1,0,1,0,0|2,0,0]=4 11035 B13R1.278 C[C@@H](OCCC1CCC1=O)C(=O)O 41a9dbe87c01f3a118396c537a2dbf06 [0,1,0,1,0,0|2,0,0]=4 11036 B13R1.278 C[C@H](NCCC1CCC1=O)C(=O)O 8b2d965be1bd7edfec196186ad1d0757 [0,1,0,1,0,0|2,0,0]=4 11037 B13R1.278 C[C@H](OCCC1CCC1=O)C(=O)O 2d560e294caf5b16a1c0bee7750b4099 [0,1,0,1,0,0|2,0,0]=4 11038 B13R1.278 O=C1CCC1CCNC(O)C(=O)O 9a84946189091c9d8094c8d29a57ceba [0,1,0,1,0,0|2,0,0]=4 11039 B13R1.351 C=C(CNC1C=CCCC1)C(=O)O 3875670bc491ea8c0d7df4e2bff87467 [0,1,0,1,0,0|1,0,1]=4 11040 B13R1.351 C=C(COC1C=CCCC1)C(=O)O 6f352c0b4e8423b0dd58ea98e02b3845 [0,1,0,1,0,0|1,0,1]=4 11041 B13R1.351 CC(=O)C(C)COC1C=CCCC1 c7ee9cdfe56e5111c0d48adf3cfca2e3 [0,1,0,1,0,0|2,0,0]=4 11042 B13R1.351 CC(CNC1C=CCCC1)C(=O)O 10baadf5f51af09e6a7f9d7a1e0d0636 [0,1,0,1,0,0|1,0,0]=3 11043 B13R1.351 CC(COC1C=CCCC1)C(=O)O 0f808cfb384a11981f7424cc6e8bc6a3 [0,1,0,1,0,0|1,0,0]=3 11044 B13R1.351 C[C@@H](CNC1C=CCCC1)C(=O)O 30e19d6491ab2def410ed06aa2f583be [0,1,0,1,0,0|1,0,0]=3 11045 B13R1.351 C[C@@H](COC1C=CCCC1)C(=O)O a6a713f3c6dbfb19a3b777a9cb4eb4fa [0,1,0,1,0,0|1,0,0]=3 11046 B13R1.351 C[C@H](CNC1C=CCCC1)C(=O)O 5c1531d479e6fae24243372f92c235cb [0,1,0,1,0,0|1,0,0]=3 11047 B13R1.351 C[C@H](COC1C=CCCC1)C(=O)O feb70abc773806b7fdaf2c8fed4f429d [0,1,0,1,0,0|1,0,0]=3 11048 B13R1.351 O=C(O)C(=O)CNC1C=CCCC1 d52d5a6f56e8972d90c2133fd2ab28ce [0,1,0,1,0,0|1,0,1]=4 11049 B13R1.351 O=C(O)C(=O)COC1C=CCCC1 ed28118d1b852ca92b8bb2ebfa90543d [0,1,0,1,0,0|1,0,1]=4 11050 B13R1.351 O=C(O)C(F)CNC1C=CCCC1 c26661928aeb659a858b209a1851e99b [0,1,0,1,0,0|1,0,0]=3 11051 B13R1.351 O=C(O)C(O)CNC1C=CCCC1 fce3d00190dec86ac9966a981d23ebcc [0,1,0,1,0,0|1,0,0]=3 11052 B13R1.351 O=C(O)[C@@H](O)CNC1C=CCCC1 0aa2e89f74f4af580d9e550ee06c7be0 [0,1,0,1,0,0|1,0,0]=3 11053 B13R1.351 O=C(O)[C@H](O)CNC1C=CCCC1 9ed8c7fd760f6eaa0ab7b34413a22478 [0,1,0,1,0,0|1,0,0]=3 11054 B13R1.618 O=CC1CC1NCCC(F)C(=O)O 63e56fbc2aae7be32e885cfc32e59796 [0,1,0,1,0,0|2,0,0]=4 11055 B13R1.618 O=CC1CC1NCCC(O)C(=O)O 747f3daa3dec572ea0e3c14e9f02ff5e [0,1,0,1,0,0|2,0,0]=4 11056 B13R1.618 O=CC1CC1NCC[C@H](O)C(=O)O f4de837fccdec5a4ea932253d8249f1b [0,1,0,1,0,0|2,0,0]=4 11057 B13R1.1110 C=C(COCC1C=CCC1)C(=O)O 6401c4e13e30c36676da9450ecf13683 [0,1,0,1,0,0|1,0,1]=4 11058 B13R1.1110 CC(COCC1C=CCC1)C(=O)O 0f883df33790ad0a0c7d5eb2edcfa501 [0,1,0,1,0,0|1,0,0]=3 11059 B13R1.1110 O=C(O)C(=O)COCC1C=CCC1 fe9cef5a802a65b2763dc3fe3e370eab [0,1,0,1,0,0|1,0,1]=4 11060 B13R1.1220 C=CCN1CCCCC(C1)C(=O)O 6a5a21d662e6e5efca886cbe0729dade [0,1,0,1,0,0|1,0,0]=3 11061 B13R1.1220 O=CCN1CCCCC(C1)C(=O)O 456e47ea3527f22d646e57e271334f5c [0,1,0,1,0,0|2,0,0]=4 11062 B13R1.1232 C=CCCCNC1CC1(C)C(=O)O 2c8a449fb17a918ffc42e2da1386f075 [0,1,0,1,0,0|1,0,0]=3 11063 B13R1.1232 C=CCCCOC1CC1(C)C(=O)O 5f8604f9860dcce3de035f3dc7919409 [0,1,0,1,0,0|1,0,0]=3 11064 B13R1.1232 C=COCCNC1CC1(C)C(=O)O a10c9da22161745de3eaf9462b0cb216 [0,1,0,1,0,0|2,0,0]=4 11065 B13R1.1232 C=COCCOC1CC1(C)C(=O)O 3a80f6ff012c2702fbcfda181b1704d5 [0,1,0,1,0,0|2,0,0]=4 11066 B13R1.1232 CC1(CC1OCCCC=O)C(=O)O 7de62db1f1b84378d6aa31d4a7282563 [0,1,0,1,0,0|2,0,0]=4 11067 B13R1.1267 C=CCN1CCCCC1(C)C(=O)O fe40efbba1b10999e9963f70bdfbf7d4 [0,1,0,1,0,0|1,0,0]=3 11068 B13R1.1267 C=CCN1CCCC[C@@]1(C)C(=O)O efd5cb2168dd738eee817d5a89ba1402 [0,1,0,1,0,0|1,0,0]=3 11069 B13R1.1267 C=CCN1CCCC[C@]1(C)C(=O)O 2d7b07079b36c79f80365653e3125e46 [0,1,0,1,0,0|1,0,0]=3 11070 B13R1.1267 CC1(CCCCN1CC=O)C(=O)O f03b7878680cc43ca45b88147aac91e4 [0,1,0,1,0,0|2,0,0]=4 11071 B13R1.1267 C[C@@]1(CCCCN1CC=O)C(=O)O ddcf1199ec51e3f6aad057d5395d995b [0,1,0,1,0,0|2,0,0]=4 11072 B13R1.1267 C[C@]1(CCCCN1CC=O)C(=O)O 38014edb10749191825a1215a45e569f [0,1,0,1,0,0|2,0,0]=4 11073 B13R1.1889 C=CCCCCN1CC(C1)C(=O)N e99aaa9438ad9275d2c938e3af9f3489 [0,1,0,1,0,0|2,0,0]=4 11074 B13R1.1889 C=CCCCCN1CC(C1)C(=O)O 7dbaf1075976dec25749bacfba904050 [0,1,0,1,0,0|1,0,0]=3 11075 B13R1.1889 C=CCCCNC1CC(C1)C(=O)N 998a40a21086afdd4590bb6287c51170 [0,1,0,1,0,0|2,0,0]=4 11076 B13R1.1889 C=CCCCNC1CC(C1)C(=O)O c362e138f5ceae983c45e9fdcb7a4b55 [0,1,0,1,0,0|1,0,0]=3 11077 B13R1.1889 C=CCCCN[C@H]1C[C@@H](C1)C(=O)O 65e059b547786735962cc26714f66a7e [0,1,0,1,0,0|1,0,0]=3 11078 B13R1.1889 C=CCCCN[C@H]1C[C@H](C1)C(=O)O 927cc9137c92113a43e55e53a97b0a81 [0,1,0,1,0,0|1,0,0]=3 11079 B13R1.1889 C=CCCCOC1CC(C1)C(=O)C 305cbed8a8a8909dd4ee6b677b947604 [0,1,0,1,0,0|2,0,0]=4 11080 B13R1.1889 C=CCCCOC1CC(C1)C(=O)N 9e5b7b34abfefd818bc17818d3646c41 [0,1,0,1,0,0|2,0,0]=4 11081 B13R1.1889 C=CCCCOC1CC(C1)C(=O)O a9789d93b7f30d365124e595ebcbca9a [0,1,0,1,0,0|1,0,0]=3 11082 B13R1.1889 C=CCCCO[C@H]1C[C@@H](C1)C(=O)O 75a4f4e8ba3d8493b5413804b429b170 [0,1,0,1,0,0|1,0,0]=3 11083 B13R1.1889 C=CCCCO[C@H]1C[C@H](C1)C(=O)O 6a5febd36c10f2fdbe01b87c168c4c7b [0,1,0,1,0,0|1,0,0]=3 11084 B13R1.1889 C=CCCNCC1CC(C1)C(=O)O d44c04c39b3eb5395be6180649a92e53 [0,1,0,1,0,0|1,0,0]=3 11085 B13R1.1889 C=CCCOCC1CC(C1)C(=O)O 4e5eb6bd4d19ed68e481435e2b0084bf [0,1,0,1,0,0|1,0,0]=3 11086 B13R1.1889 C=CCCOC[C@H]1C[C@H](C1)C(=O)O 982a2480494a4d9d795af576fa96a987 [0,1,0,1,0,0|1,0,0]=3 11087 B13R1.1889 C=CCOCCN1CC(C1)C(=O)O 04ee3e7a97b463e32b8c5ee9a389f71f [0,1,0,1,0,0|2,0,0]=4 11088 B13R1.1889 C=COCCNC1CC(C1)C(=O)O aed8635c96def8931c2462eb0dccdb8b [0,1,0,1,0,0|2,0,0]=4 11089 B13R1.1889 C=COCCN[C@H]1C[C@@H](C1)C(=O)O 8faf66d7daacec6071701dda51c0db0f [0,1,0,1,0,0|2,0,0]=4 11090 B13R1.1889 C=COCCN[C@H]1C[C@H](C1)C(=O)O ba44344b9ba04ea9b047e76c6215b30d [0,1,0,1,0,0|2,0,0]=4 11091 B13R1.1889 C=COCCOC1CC(C1)C(=O)O 160e060b77739146de5bcce1d6c8dfa8 [0,1,0,1,0,0|2,0,0]=4 11092 B13R1.1889 C=COCCO[C@H]1C[C@@H](C1)C(=O)O 6a0359c6df06107f8a82459360cccec7 [0,1,0,1,0,0|2,0,0]=4 11093 B13R1.1889 C=COCCO[C@H]1C[C@H](C1)C(=O)O c2f4c3d8df6733c4b2d6dfc9f33d8823 [0,1,0,1,0,0|2,0,0]=4 11094 B13R1.1889 O=CCCCCN1CC(C1)C(=O)O 1b27b9c1ce5c98621f3499fa4073c3a3 [0,1,0,1,0,0|2,0,0]=4 11095 B13R1.1889 O=CCCCNC1CC(C1)C(=O)O 34d091c50e433c4769b0b9e82ddcc8bb [0,1,0,1,0,0|2,0,0]=4 11096 B13R1.1889 O=CCCCN[C@H]1C[C@@H](C1)C(=O)O d72116e185291ad979b114720e6d9456 [0,1,0,1,0,0|2,0,0]=4 11097 B13R1.1889 O=CCCCN[C@H]1C[C@H](C1)C(=O)O 20cf0256adef8991c30dc8a17e76e097 [0,1,0,1,0,0|2,0,0]=4 11098 B13R1.1889 O=CCCCOC1CC(C1)C(=O)O 6ebea32ae56cdd5ed55421573dc0d5b3 [0,1,0,1,0,0|2,0,0]=4 11099 B13R1.1889 O=CCCCO[C@H]1C[C@@H](C1)C(=O)O 6e215219f6d478f827b49e09443c85c6 [0,1,0,1,0,0|2,0,0]=4 11100 B13R1.1889 O=CCCCO[C@H]1C[C@H](C1)C(=O)O 2ec9c3eb5c798a1bab8701f746683c16 [0,1,0,1,0,0|2,0,0]=4 11101 B13R1.1889 O=CCCOCC1CC(C1)C(=O)O 766bb697a8c1fd8dfcc58bb6afb36408 [0,1,0,1,0,0|2,0,0]=4 11102 B13R1.1889 O=CCCOC[C@H]1C[C@H](C1)C(=O)O fa99c475fdb0821ada57593cf10cd4ec [0,1,0,1,0,0|2,0,0]=4 11103 B13R1.1979 C=CCCN1CCCC1(C)C(=O)O c8721a9091b70a13acdf1579d5365eab [0,1,0,1,0,0|1,0,0]=3 11104 B13R1.1979 C=CCCN1CCC[C@@]1(C)C(=O)N 2b632b0679385bd49c154db086799008 [0,1,0,1,0,0|2,0,0]=4 11105 B13R1.1979 C=CCCN1CCC[C@@]1(C)C(=O)O 1170295af11161c9129ea804b7d1020f [0,1,0,1,0,0|1,0,0]=3 11106 B13R1.1979 C=CCCN1CCC[C@]1(C)C(=O)O 67a4401e384f26fb84985a6a710e339c [0,1,0,1,0,0|1,0,0]=3 11107 B13R1.1979 C=CCCN1CCSC1(C)C(=O)O f7b14fdbb91074176f9103b1d1c8ab81 [0,1,0,1,0,0|2,0,0]=4 11108 B13R1.1979 CC1(CCCN1CCC=O)C(=O)O 5e38e355591578d8663085eb611aaada [0,1,0,1,0,0|2,0,0]=4 11109 B13R1.1979 C[C@@]1(CCCN1CCC=O)C(=O)O 15b91d7e7467a60a310f7ee01b5c7376 [0,1,0,1,0,0|2,0,0]=4 11110 B13R1.1979 C[C@]1(CCCN1CCC=O)C(=O)O 2edae6254cce796147ee5f543c9ccee7 [0,1,0,1,0,0|2,0,0]=4 11111 B13R1.45 CN(CCC(=O)N)C1C=CCCC1 63e9aa133d6bcc9accc049296f486927 [0,1,0,1,0,0|2,0,0]=4 11112 B13R1.45 CN(CCC(=O)O)C1C=CCCC1 c9d93a0108f48cffaec5cf5231bc240b [0,1,0,1,0,0|1,0,0]=3 11113 B13R1.141 C=CCN1CCC(CC1C(=O)O)O 1764c695c2bbdfb539b08c242a463df0 [0,1,0,1,0,0|1,0,0]=3 11114 B13R1.141 C=CCN1CCN(CC1C(=O)O)C 5e6361b27a0bb325ca98c2824a10045c [0,1,0,1,0,0|2,0,0]=4 11115 B13R1.141 C=CCN1CCN(C[C@H]1C(=O)O)C 6696cb672a31e1637fc787e2965f9456 [0,1,0,1,0,0|2,0,0]=4 11116 B13R1.141 C=CCN1CC[C@H](C[C@@H]1C(=O)O)C b773359887a99e3594beb32884966454 [0,1,0,1,0,0|1,0,0]=3 11117 B13R1.141 C=CCN1CC[C@H](C[C@H]1C(=O)O)C 5842cfb1811bf9c554d2b2ef8af7c46f [0,1,0,1,0,0|1,0,0]=3 11118 B13R1.141 C[C@@H]1CCN([C@@H](C1)C(=O)O)CC=O 947df34e29553620db349980291b7772 [0,1,0,1,0,0|2,0,0]=4 11119 B13R1.141 C[C@@H]1CCN([C@H](C1)C(=O)O)CC=O 8eef0b771cab8ab8cd5b5f358596abda [0,1,0,1,0,0|2,0,0]=4 11120 B13R1.141 O=CCN1CCC(CC1C(=O)O)O fd202544f7f908eefec8861d77db6096 [0,1,0,1,0,0|2,0,0]=4 11121 B13R1.199 C=C1CC1COC(C)CCC(=O)O e5c47702cc5862b110529b1569314abc [0,1,0,1,0,0|1,0,0]=3 11122 B13R1.344 CC(CCC(=O)O)OC1C=CCC1 2fd378c642b0512836b264d9eb3fc4d5 [0,1,0,1,0,0|1,0,0]=3 11123 B13R1.564 C=CCCN1CC(=O)C[C@@H]1C(=O)O d1b8fd0cc9ee516aa199e9a04dd14c40 [0,1,0,1,0,0|1,0,1]=4 11124 B13R1.564 C=CCCN1CC(=O)C[C@H]1C(=O)O 1fed54a4133197f1b9fb94f04711ba5f [0,1,0,1,0,0|1,0,1]=4 11125 B13R1.564 C=CCCN1CC(CC1C(=O)N)O f88f9ac26b2d2ba6d4438fafc431e271 [0,1,0,1,0,0|2,0,0]=4 11126 B13R1.564 C=CCCN1CC(CC1C(=O)O)C 6e0f07c926ba0adef4c15682c5af6049 [0,1,0,1,0,0|1,0,0]=3 11127 B13R1.564 C=CCCN1CC(CC1C(=O)O)F 3b015d372b43d4af99f5597c64525ebe [0,1,0,1,0,0|1,0,0]=3 11128 B13R1.564 C=CCCN1CC(CC1C(=O)O)O fbd5ecff3191012592e79366c8956244 [0,1,0,1,0,0|1,0,0]=3 11129 B13R1.564 C=CCCN1C[C@@H](C[C@@H]1C(=O)O)F f1c5afb7cab9b6cd189b6cb61e3ae026 [0,1,0,1,0,0|1,0,0]=3 11130 B13R1.564 C=CCCN1C[C@@H](C[C@@H]1C(=O)O)O 625caae7ac2ffca03a041c509bd682c8 [0,1,0,1,0,0|1,0,0]=3 11131 B13R1.564 C=CCCN1C[C@@H](C[C@H]1C(=O)N)O 458d96f3cfc8321c0d56400dda457371 [0,1,0,1,0,0|2,0,0]=4 11132 B13R1.564 C=CCCN1C[C@@H](C[C@H]1C(=O)O)F 18f33802c6ddbda98751c84d470f1d4c [0,1,0,1,0,0|1,0,0]=3 11133 B13R1.564 C=CCCN1C[C@@H](C[C@H]1C(=O)O)O 2dae6022abde97f5993bab33b22f0002 [0,1,0,1,0,0|1,0,0]=3 11134 B13R1.564 C=CCCN1C[C@H](C[C@@H]1C(=O)O)F efc5e03082c3221cce63b20df4a6d564 [0,1,0,1,0,0|1,0,0]=3 11135 B13R1.564 C=CCCN1C[C@H](C[C@@H]1C(=O)O)O 2417e2775b53c31f28f1c6786191e4f9 [0,1,0,1,0,0|1,0,0]=3 11136 B13R1.564 C=CCCN1C[C@H](C[C@H]1C(=O)N)F 5b2f63d108fba5dea864628fef7d7954 [0,1,0,1,0,0|2,0,0]=4 11137 B13R1.564 C=CCCN1C[C@H](C[C@H]1C(=O)O)C 8e90179aa520fca1ea3d4e4cbfdc5498 [0,1,0,1,0,0|1,0,0]=3 11138 B13R1.564 C=CCCN1C[C@H](C[C@H]1C(=O)O)F 2fbe79bc45619e3c307a60d8bf5026df [0,1,0,1,0,0|1,0,0]=3 11139 B13R1.564 C=CCCN1C[C@H](C[C@H]1C(=O)O)O 3da4eb73922ccd43fb101b887024ba54 [0,1,0,1,0,0|1,0,0]=3 11140 B13R1.564 C=CCCN1C[C@H](C[C@H]1C(=O)O)S 9793860da70c342ff4bbf70ba1c8f3c0 [0,1,0,1,0,0|1,0,0]=3 11141 B13R1.564 CC1CC(N(C1)CCC=O)C(=O)O 78529baba24743947e08c68da04d5a1a [0,1,0,1,0,0|2,0,0]=4 11142 B13R1.564 C[C@H]1C[C@H](N(C1)CCC=O)C(=O)O ce493590ec82fadd18b305d911bee0b2 [0,1,0,1,0,0|2,0,0]=4 11143 B13R1.564 O=CCCN1CC(CC1C(=O)O)F b01b8bba7261cfb584ef98391493c7b5 [0,1,0,1,0,0|2,0,0]=4 11144 B13R1.564 O=CCCN1CC(CC1C(=O)O)O 9142336263c0e478e16ebe5c98f93e3a [0,1,0,1,0,0|2,0,0]=4 11145 B13R1.564 O=CCCN1C[C@@H](C[C@@H]1C(=O)O)F 786b4bfdef72af3715d9ac74dd36e761 [0,1,0,1,0,0|2,0,0]=4 11146 B13R1.564 O=CCCN1C[C@@H](C[C@@H]1C(=O)O)O 80e47056634aa108c236b1ab5a77fe5c [0,1,0,1,0,0|2,0,0]=4 11147 B13R1.564 O=CCCN1C[C@@H](C[C@H]1C(=O)O)F 49ed88e5c646dcfcd2e733ec1651c496 [0,1,0,1,0,0|2,0,0]=4 11148 B13R1.564 O=CCCN1C[C@@H](C[C@H]1C(=O)O)O 05157c42a5b13dfbd146835138384a02 [0,1,0,1,0,0|2,0,0]=4 11149 B13R1.564 O=CCCN1C[C@H](C[C@@H]1C(=O)O)F 770377e4a64eed31c9e13b255e242d66 [0,1,0,1,0,0|2,0,0]=4 11150 B13R1.564 O=CCCN1C[C@H](C[C@@H]1C(=O)O)O aeb2b68acf080556b92fe38ce8c6cc46 [0,1,0,1,0,0|2,0,0]=4 11151 B13R1.564 O=CCCN1C[C@H](C[C@H]1C(=O)O)F 8665ec7a5c5e18f28b950ed96cf20584 [0,1,0,1,0,0|2,0,0]=4 11152 B13R1.564 O=CCCN1C[C@H](C[C@H]1C(=O)O)O 5c07ce5957c64917f4e47e98d564b385 [0,1,0,1,0,0|2,0,0]=4 11153 B13R1.564 O=CCCN1C[C@H](C[C@H]1C(=O)O)S ac7da5bb6572c5e79e6a9bee322ca775 [0,1,0,1,0,0|2,0,0]=4 11154 B13R1.2919 C=CCCCCN(C)C1CC(=O)C1 2dfac341165b695c7408d38ec4e2965e [0,1,0,1,0,0|2,0,0]=4 11155 B13R1.2919 C=CCCCOC(C)C1CC(=O)C1 9320edd7ef820c2f96954fed62a1f4a9 [0,1,0,1,0,0|2,0,0]=4 11156 B13R1.2933 C=CCCCN1[C@@H](C[C@H]1C(=O)O)C 7736e7c24770453705b7ccc7806abec9 [0,1,0,1,0,0|1,0,0]=3 11157 B13R1.2933 C=CCCCN1[C@H](C[C@H]1C(=O)O)C 2359d30e3cc104ac6a54fba8bece8371 [0,1,0,1,0,0|1,0,0]=3 11158 B13R1.2933 C[C@@H]1C[C@H](N1CCCC=O)C(=O)O 68aae75726ec8a8b771bff0107f3a2f4 [0,1,0,1,0,0|2,0,0]=4 11159 B13R1.2933 C[C@H]1C[C@H](N1CCCC=O)C(=O)O a22dc03ac6b865dd0cb0bc43475942d6 [0,1,0,1,0,0|2,0,0]=4 11160 B13R1.3688 C=CCCNCC1(CCC(=O)N1)C 9367f5b6ad2ed6369288b53f98a1f71d [0,1,0,1,0,0|2,0,0]=4 11161 B13R1.3688 C=CCCOCC1(CCC(=O)N1)C 51cee2a2eaa52fc9dd90c9d4c4cc8b25 [0,1,0,1,0,0|2,0,0]=4 11162 B13R1.292 C=C(C)CCCOCC1CC(=O)C1 d6e3412a4eb28309e3172993afb0ecb0 [0,1,0,1,0,0|2,0,0]=4 11163 B13R1.292 C=C(C)CCCOCC1CC(=O)N1 91512e6bb8a9099d309df99b7258047b [0,1,0,1,0,0|2,0,0]=4 11164 B13R1.292 C=C(C)CCCOCC1CC(=O)O1 3f218ad6231d4ce0be0fd7b2a8605c8a [0,1,0,1,0,0|1,0,0]=3 11165 B13R1.292 C=C(C)CCCOC[C@@H]1CC(=O)N1 ef6743316cd2213c493436171931619b [0,1,0,1,0,0|2,0,0]=4 11166 B13R1.292 C=C(C)CCCOC[C@H]1CC(=O)N1 5c0e839b866fe052833c59438a352f96 [0,1,0,1,0,0|2,0,0]=4 11167 B13R1.292 C=C1CC(C1)CNCCCC(=O)N cf6327c178bb0746ac78cb71f83cfdb4 [0,1,0,1,0,0|2,0,0]=4 11168 B13R1.292 C=C1CC(C1)CNCCCC(=O)O a5becaebe34e216e501dd5728f12a4fa [0,1,0,1,0,0|1,0,0]=3 11169 B13R1.292 C=C1CC(C1)COCCCC(=O)C 0137d6c461529c86c400c2f3711bb5dd [0,1,0,1,0,0|2,0,0]=4 11170 B13R1.292 C=C1CC(C1)COCCCC(=O)N 163ba8c42c7a20941290bebab92adc5e [0,1,0,1,0,0|2,0,0]=4 11171 B13R1.292 C=C1CC(C1)COCCCC(=O)O f32b07301decf582dc2d560da76ba0be [0,1,0,1,0,0|1,0,0]=3 11172 B13R1.292 CC(=O)CCCOCC1CC(=O)O1 67daeecec4ba0a57cba293c2a2c24c6f [0,1,0,1,0,0|1,0,1]=4 11173 B13R1.292 NC(=O)CCCNCC1CC(=O)O1 d30a522d5e0c0d19341a253369302948 [0,1,0,1,0,0|2,0,0]=4 11174 B13R1.292 NC(=O)CCCOCC1CC(=O)O1 7c6b0644959d4b231f18449d39fc32cd [0,1,0,1,0,0|2,0,0]=4 11175 B13R1.292 O=C(O)CCCNCC1CC(=O)N1 3e8e101bca8972ab9045a38daa21619f [0,1,0,1,0,0|2,0,0]=4 11176 B13R1.292 O=C(O)CCCOCC1CC(=O)N1 980280c8ecbb941c584ebfb8f7ea85b6 [0,1,0,1,0,0|2,0,0]=4 11177 B13R1.292 O=C(O)CCCOC[C@@H]1CC(=O)N1 b47c81dd6cc16289283edfb504c93431 [0,1,0,1,0,0|2,0,0]=4 11178 B13R1.292 O=C(O)CCCOC[C@H]1CC(=O)N1 a55a444a1e3c3e10977fa5ae3948504a [0,1,0,1,0,0|2,0,0]=4 11179 B13R1.589 C=C(Br)CN1CCCCC1C(=O)C 935c15bbec7d5963e3d408193e74f193 [0,1,0,1,0,0|2,0,0]=4 11180 B13R1.589 C=C(Br)CN1CCCCC1C(=O)N 3afebd2efbce881c02d12ce084b4a934 [0,1,0,1,0,0|2,0,0]=4 11181 B13R1.589 C=C(Br)CN1CCCCC1C(=O)O 84855010b42e75d28103348f16ed6169 [0,1,0,1,0,0|1,0,0]=3 11182 B13R1.589 C=C(Br)CN1CCCC[C@@H]1C(=O)N 07f5a04e7de9f4f467cf3a2c95d52829 [0,1,0,1,0,0|2,0,0]=4 11183 B13R1.589 C=C(Br)CN1CCCC[C@@H]1C(=O)O 902f06a020d0d9a386e557169ca779a2 [0,1,0,1,0,0|1,0,0]=3 11184 B13R1.589 C=C(Br)CN1CCCC[C@H]1C(=O)N 027c07e8e7c03d472ac231f5ffc9687e [0,1,0,1,0,0|2,0,0]=4 11185 B13R1.589 C=C(Br)CN1CCCC[C@H]1C(=O)O 6c45da763062bd829ef1a5557f7ea122 [0,1,0,1,0,0|1,0,0]=3 11186 B13R1.589 C=C(Br)CN1CCOCC1C(=O)O fe3152b5dc926fca017454687ec758a8 [0,1,0,1,0,0|2,0,0]=4 11187 B13R1.589 C=C(Br)CN1CCOC[C@@H]1C(=O)O b744337ae7d8f5bfa0fb3f536df85a39 [0,1,0,1,0,0|2,0,0]=4 11188 B13R1.589 C=C(Br)CN1CCOC[C@H]1C(=O)O ee2e83d438e54d52509eb308a18152cd [0,1,0,1,0,0|2,0,0]=4 11189 B13R1.589 C=C(Br)CN1CCSCC1C(=O)O 5bc9c9e51ae47b842895f3d4cf5a19d4 [0,1,0,1,0,0|2,0,0]=4 11190 B13R1.589 C=C(Br)CN1CCSC[C@@H]1C(=O)O 385da1ec20080bdcec2926f4d29170a5 [0,1,0,1,0,0|2,0,0]=4 11191 B13R1.589 C=C(Br)CN1CCSC[C@H]1C(=O)O d49bbfd35605816af74831eb3341841b [0,1,0,1,0,0|2,0,0]=4 11192 B13R1.589 C=C(C)CN1CCCCC1C(=O)C e43fb2eab135098cf701692603d3382d [0,1,0,1,0,0|2,0,0]=4 11193 B13R1.589 C=C(C)CN1CCCCC1C(=O)N 764a979996875f8f02cc059540920c84 [0,1,0,1,0,0|2,0,0]=4 11194 B13R1.589 C=C(C)CN1CCCCC1C(=O)O b1376d5571063975a38675047b419f3f [0,1,0,1,0,0|1,0,0]=3 11195 B13R1.589 C=C(C)CN1CCCC[C@@H]1C(=O)N e5b172f8132fac28f958607266daaa64 [0,1,0,1,0,0|2,0,0]=4 11196 B13R1.589 C=C(C)CN1CCCC[C@@H]1C(=O)O 4e31efe70feb9b4de281125098caa965 [0,1,0,1,0,0|1,0,0]=3 11197 B13R1.589 C=C(C)CN1CCCC[C@H]1C(=O)N a9b177a0bd4a4081fcaef9b25b2f6c03 [0,1,0,1,0,0|2,0,0]=4 11198 B13R1.589 C=C(C)CN1CCCC[C@H]1C(=O)O 58d84d7d2b46db27cc8e96cbc777150a [0,1,0,1,0,0|1,0,0]=3 11199 B13R1.589 C=C(C)CN1CCCSC1C(=O)O c49cf7b755883ceb278fbdb303f48a12 [0,1,0,1,0,0|2,0,0]=4 11200 B13R1.589 C=C(C)CN1CCOCC1C(=O)O 3b2f8530abf950cd6e4ce916314f0021 [0,1,0,1,0,0|2,0,0]=4 11201 B13R1.589 C=C(C)CN1CCOC[C@@H]1C(=O)O bc6a3307f3ca19b853c6a6be9cfa687a [0,1,0,1,0,0|2,0,0]=4 11202 B13R1.589 C=C(C)CN1CCOC[C@H]1C(=O)O d1d464576c4f6ad2653201a5da5cd1f5 [0,1,0,1,0,0|2,0,0]=4 11203 B13R1.589 C=C(C)CN1CCSCC1C(=O)O 484a73e4385ccab5408ce847568d167f [0,1,0,1,0,0|2,0,0]=4 11204 B13R1.589 C=C(C)CN1CCSC[C@@H]1C(=O)O 1e464add201f60c5d7590b6fe3dce3da [0,1,0,1,0,0|2,0,0]=4 11205 B13R1.589 C=C(C)CN1CCSC[C@H]1C(=O)O 5a0012089e1aef015307d7249fddd3eb [0,1,0,1,0,0|2,0,0]=4 11206 B13R1.589 C=C(Cl)CN1CCCCC1C(=O)C eb15d982d675c7eb53a82eac06f627fe [0,1,0,1,0,0|2,0,0]=4 11207 B13R1.589 C=C(Cl)CN1CCCCC1C(=O)N bbc5c45aea6f1a4f04a5bb14fe021712 [0,1,0,1,0,0|2,0,0]=4 11208 B13R1.589 C=C(Cl)CN1CCCCC1C(=O)O c7caa7733ac4364eafbedce8193d57b9 [0,1,0,1,0,0|1,0,0]=3 11209 B13R1.589 C=C(Cl)CN1CCCC[C@@H]1C(=O)N 16549c1acb4fa678c45e7a774c821223 [0,1,0,1,0,0|2,0,0]=4 11210 B13R1.589 C=C(Cl)CN1CCCC[C@@H]1C(=O)O e9d52972f66bce8f55088e9684f82ac1 [0,1,0,1,0,0|1,0,0]=3 11211 B13R1.589 C=C(Cl)CN1CCCC[C@H]1C(=O)N 7d1d9592b974349f34ab0293ced2095a [0,1,0,1,0,0|2,0,0]=4 11212 B13R1.589 C=C(Cl)CN1CCCC[C@H]1C(=O)O d81e29b62ff97c64a6bda9225b0b7b36 [0,1,0,1,0,0|1,0,0]=3 11213 B13R1.589 C=C(Cl)CN1CCOCC1C(=O)O 1249d2aa6f2d2c927dff23906a3dd3b5 [0,1,0,1,0,0|2,0,0]=4 11214 B13R1.589 C=C(Cl)CN1CCOC[C@@H]1C(=O)O e8e68032a130f5fc79902807888f6cbd [0,1,0,1,0,0|2,0,0]=4 11215 B13R1.589 C=C(Cl)CN1CCOC[C@H]1C(=O)O bb99c94c3cb9e08fdebe80f312546fe0 [0,1,0,1,0,0|2,0,0]=4 11216 B13R1.589 C=C(Cl)CN1CCSCC1C(=O)O c6109d4030952e889c538674c3e41dc7 [0,1,0,1,0,0|2,0,0]=4 11217 B13R1.589 C=C(Cl)CN1CCSC[C@@H]1C(=O)O 04cf1c10c377e779e67fe037b723affc [0,1,0,1,0,0|2,0,0]=4 11218 B13R1.589 C=C(Cl)CN1CCSC[C@H]1C(=O)O 35c00144039ace11b4529b2f665109ff [0,1,0,1,0,0|2,0,0]=4 11219 B13R1.589 C=C(F)CN1CCCCC1C(=O)C 43754496c331c5db94e843f07be8b3d8 [0,1,0,1,0,0|2,0,0]=4 11220 B13R1.589 C=C(F)CN1CCCCC1C(=O)N 92f30496cfc714b4aee5f275fcadfe13 [0,1,0,1,0,0|2,0,0]=4 11221 B13R1.589 C=C(F)CN1CCCCC1C(=O)O 4f17b4db5c8a4fe09255d78e6477d451 [0,1,0,1,0,0|1,0,0]=3 11222 B13R1.589 C=C(F)CN1CCCC[C@@H]1C(=O)N f31123e51e82168f5638170a90e4acb5 [0,1,0,1,0,0|2,0,0]=4 11223 B13R1.589 C=C(F)CN1CCCC[C@@H]1C(=O)O 29b7867c0935f3df6d22996035545cd9 [0,1,0,1,0,0|1,0,0]=3 11224 B13R1.589 C=C(F)CN1CCCC[C@H]1C(=O)N 9c220a5e8c9198e28fef3f44991a9840 [0,1,0,1,0,0|2,0,0]=4 11225 B13R1.589 C=C(F)CN1CCCC[C@H]1C(=O)O b00d14afbd103c9fc41bcc93ef13b8dc [0,1,0,1,0,0|1,0,0]=3 11226 B13R1.589 C=C(F)CN1CCCSC1C(=O)O 01756e2947f8a5002bd21bf500e20341 [0,1,0,1,0,0|2,0,0]=4 11227 B13R1.589 C=C(F)CN1CCOCC1C(=O)O 53bbf745ba4cb98ed0d9037d65dcacc4 [0,1,0,1,0,0|2,0,0]=4 11228 B13R1.589 C=C(F)CN1CCOC[C@@H]1C(=O)O e003304b7640f8cc372e597a8497e391 [0,1,0,1,0,0|2,0,0]=4 11229 B13R1.589 C=C(F)CN1CCOC[C@H]1C(=O)O 6437e8bf2a371db9628618c370d8d34f [0,1,0,1,0,0|2,0,0]=4 11230 B13R1.589 C=C(F)CN1CCSCC1C(=O)O 0811428f84b3de3c94909a842200c109 [0,1,0,1,0,0|2,0,0]=4 11231 B13R1.589 C=C(F)CN1CCSC[C@@H]1C(=O)O b5fbf1c0901224c69d4e9d293adea30e [0,1,0,1,0,0|2,0,0]=4 11232 B13R1.589 C=C(F)CN1CCSC[C@H]1C(=O)O af69c211542415681497f127b98ee781 [0,1,0,1,0,0|2,0,0]=4 11233 B13R1.589 CC(=O)C1CCCCN1CC(=O)O 4be2162fdb1896b221bcd73315680037 [0,1,0,1,0,0|1,0,1]=4 11234 B13R1.589 NC(=O)C1CCCCN1CC(=O)O e63174ac91404ad476eada9aedc62cfc [0,1,0,1,0,0|2,0,0]=4 11235 B13R1.589 NC(=O)CN1CCCCC1C(=O)O 25c35a839462cb7a8b99adfa741e5141 [0,1,0,1,0,0|2,0,0]=4 11236 B13R1.589 NC(=O)CN1CCCC[C@@H]1C(=O)O 295395dd7b0b365b36a6e82839cdf183 [0,1,0,1,0,0|2,0,0]=4 11237 B13R1.589 NC(=O)CN1CCCC[C@H]1C(=O)O b57b7d6efc907714477cb6a938800bba [0,1,0,1,0,0|2,0,0]=4 11238 B13R1.589 NC(=O)[C@@H]1CCCCN1CC(=O)O 5312938de11fda206fe342a3c3458407 [0,1,0,1,0,0|2,0,0]=4 11239 B13R1.589 NC(=O)[C@H]1CCCCN1CC(=O)O f488443efb4e6e744d8fb15978c20a52 [0,1,0,1,0,0|2,0,0]=4 11240 B13R1.589 O=C(O)CN1CCCCC1C(=O)O aa5e0ce01a057c187554b7faf48b7a88 [0,1,0,1,0,0|2,0,0]=4 11241 B13R1.589 O=C(O)CN1CCCC[C@@H]1C(=O)O d8476511ba0a7647966347ae25106f14 [0,1,0,1,0,0|2,0,0]=4 11242 B13R1.589 O=C(O)CN1CCCC[C@H]1C(=O)O 4784a5ff2bd5fe8f1f89ef9a18646cab [0,1,0,1,0,0|2,0,0]=4 11243 B13R1.591 C=C(Br)CN1CCCC1CC(=O)O 8c6b44d67c499415b264e149ebc239fe [0,1,0,1,0,0|1,0,0]=3 11244 B13R1.591 C=C(Br)CN1CCC[C@@H]1CC(=O)O e5a701b82d16a02dde701453ec408484 [0,1,0,1,0,0|1,0,0]=3 11245 B13R1.591 C=C(Br)CN1CCC[C@H]1CC(=O)O 1f7ceff05b87617908b4ce3896640756 [0,1,0,1,0,0|1,0,0]=3 11246 B13R1.591 C=C(C)CN1CCCC1CC(=O)O 879f95142c62109f67c0eb603f53e464 [0,1,0,1,0,0|1,0,0]=3 11247 B13R1.591 C=C(C)CN1CCC[C@@H]1CC(=O)O 104f42d1f5edbe3522076e1e76a408e6 [0,1,0,1,0,0|1,0,0]=3 11248 B13R1.591 C=C(C)CN1CCC[C@H]1CC(=O)O 2e47df575ea4d46e4ebad44dea2c99c6 [0,1,0,1,0,0|1,0,0]=3 11249 B13R1.591 C=C(Cl)CN1CCCC1CC(=O)O a5fe67724e97a541d39c32b62093e0a5 [0,1,0,1,0,0|1,0,0]=3 11250 B13R1.591 C=C(Cl)CN1CCC[C@@H]1CC(=O)O 055cd9fbd7be857d4b154e1a2c63cd90 [0,1,0,1,0,0|1,0,0]=3 11251 B13R1.591 C=C(Cl)CN1CCC[C@H]1CC(=O)O cc280a4965bc24692979a309ebe2a681 [0,1,0,1,0,0|1,0,0]=3 11252 B13R1.591 C=C(F)CN1CCCC1CC(=O)O 544708f26fbaac7d206884d60941a77d [0,1,0,1,0,0|1,0,0]=3 11253 B13R1.591 C=C(F)CN1CCC[C@@H]1CC(=O)O faaafc7a3434b35a8c721b3c864dedb9 [0,1,0,1,0,0|1,0,0]=3 11254 B13R1.591 C=C(F)CN1CCC[C@H]1CC(=O)O c64c2b0b3baf688dfe88a5a028f1312a [0,1,0,1,0,0|1,0,0]=3 11255 B13R1.591 NC(=O)CN1CCCC1CC(=O)O da78a785402f41d90871c67ff48113a9 [0,1,0,1,0,0|2,0,0]=4 11256 B13R1.591 NC(=O)CN1CCC[C@@H]1CC(=O)O e0f8859ea3722326bc4e8d281e72a447 [0,1,0,1,0,0|2,0,0]=4 11257 B13R1.591 NC(=O)CN1CCC[C@H]1CC(=O)O ad5923503f84029633cc22d0a72654bc [0,1,0,1,0,0|2,0,0]=4 11258 B13R1.591 O=C(O)CC1CCCN1CC(=O)O 4c9941239f4cefc73a8909e9287073cb [0,1,0,1,0,0|2,0,0]=4 11259 B13R1.591 O=C(O)C[C@@H]1CCCN1CC(=O)O 8513c024667962add7bb5a7db134a43a [0,1,0,1,0,0|2,0,0]=4 11260 B13R1.591 O=C(O)C[C@H]1CCCN1CC(=O)O b22142740ab44b79782f5e97683de890 [0,1,0,1,0,0|2,0,0]=4 11261 B13R1.1029 C=C(Br)CCOCC1CC1C(=O)O 20e7f91db1d5ffa4fdf370b3267ca3ff [0,1,0,1,0,0|1,0,0]=3 11262 B13R1.1029 C=C(Br)CCOC[C@@H]1C[C@H]1C(=O)O 113d4fb1f56b4aff530c2e8e2f3c4768 [0,1,0,1,0,0|1,0,0]=3 11263 B13R1.1029 C=C(C)CCCO[C@@H]1C[C@@H]1C(=O)O 15f3ffa79ba1ba142aa1c683736b3ac7 [0,1,0,1,0,0|1,0,0]=3 11264 B13R1.1029 C=C(C)CCCO[C@H]1C[C@@H]1C(=O)O d856c4694e00c429a7d5eb8fe843b5d3 [0,1,0,1,0,0|1,0,0]=3 11265 B13R1.1029 C=C(C)CCCO[C@H]1C[C@H]1C(=O)O 38ab8e3007cc0bb564f578aa1db89f56 [0,1,0,1,0,0|1,0,0]=3 11266 B13R1.1029 C=C(C)CCNCC1CC1C(=O)O 035b985c3935ccfab45622d5932f4446 [0,1,0,1,0,0|1,0,0]=3 11267 B13R1.1029 C=C(C)CCNC[C@@H]1C[C@H]1C(=O)O 329bf91382b92721d65201c0743b24ce [0,1,0,1,0,0|1,0,0]=3 11268 B13R1.1029 C=C(C)CCOCC1CC1C(=O)O c8f06e1b8f9ca37ccaa97086df4249da [0,1,0,1,0,0|1,0,0]=3 11269 B13R1.1029 C=C(C)CCOC[C@@H]1C[C@H]1C(=O)O 1370a60ba2de383cbf6adbb60dfa8ad6 [0,1,0,1,0,0|1,0,0]=3 11270 B13R1.1029 C=C(C)CCOC[C@H]1C[C@@H]1C(=O)O 136e3655f5cffa140955cc2e0b327d97 [0,1,0,1,0,0|1,0,0]=3 11271 B13R1.1029 C=C(C)CCOC[C@H]1C[C@H]1C(=O)O fecc0a03d867d916ad8b9e57d1752a32 [0,1,0,1,0,0|1,0,0]=3 11272 B13R1.1029 CC(=O)CCCO[C@@H]1C[C@@H]1C(=O)O 9781298e49e0dd9e06a03188fb8ad452 [0,1,0,1,0,0|1,0,1]=4 11273 B13R1.1029 CC(=O)CCCO[C@H]1C[C@@H]1C(=O)O e4e087338dde7138656b0d46e57e4c42 [0,1,0,1,0,0|1,0,1]=4 11274 B13R1.1029 CC(=O)CCCO[C@H]1C[C@H]1C(=O)O b166565430151d8c0e29a751dc29c8f0 [0,1,0,1,0,0|1,0,1]=4 11275 B13R1.1029 CC(=O)CCNC[C@@H]1C[C@H]1C(=O)O 388beae66e32bac338eaa0d8e699918a [0,1,0,1,0,0|1,0,1]=4 11276 B13R1.1029 CC(=O)CCOCC1CC1C(=O)O ab9c4b9b3fe9149b3c8c829d3b0d2051 [0,1,0,1,0,0|1,0,1]=4 11277 B13R1.1029 CC(=O)CCOC[C@@H]1C[C@H]1C(=O)O 16a313f23879c0d3222982f35c6d4c4f [0,1,0,1,0,0|1,0,1]=4 11278 B13R1.1029 CC(=O)CCOC[C@H]1C[C@@H]1C(=O)O f7b1158956468eff7a81733a73547aca [0,1,0,1,0,0|1,0,1]=4 11279 B13R1.1029 CC(=O)CCOC[C@H]1C[C@H]1C(=O)O 86f322bf482daa57f9b72eb416399ddb [0,1,0,1,0,0|1,0,1]=4 11280 B13R1.1029 NC(=O)CCCN[C@@H]1C[C@@H]1C(=O)O d5be9b8f0f6afc670cda31f7e6111ddb [0,1,0,1,0,0|2,0,0]=4 11281 B13R1.1029 NC(=O)CCCN[C@H]1C[C@@H]1C(=O)O 1b01834cdf3d1dc2482cf118dc4c51bd [0,1,0,1,0,0|2,0,0]=4 11282 B13R1.1029 NC(=O)CCCN[C@H]1C[C@H]1C(=O)O 14cfcf63b73124d185baf1ffc119855d [0,1,0,1,0,0|2,0,0]=4 11283 B13R1.1029 NC(=O)CCCO[C@@H]1C[C@@H]1C(=O)O 0a2955e6a1ed5a0cc3004e12fd5d6a7c [0,1,0,1,0,0|2,0,0]=4 11284 B13R1.1029 NC(=O)CCCO[C@H]1C[C@@H]1C(=O)O 3124d14bbd99bb03befa5ef51ace9893 [0,1,0,1,0,0|2,0,0]=4 11285 B13R1.1029 NC(=O)CCCO[C@H]1C[C@H]1C(=O)O 8f2115acf794888fbe9e87e8bf6ddd36 [0,1,0,1,0,0|2,0,0]=4 11286 B13R1.1029 NC(=O)CCNCC1CC1C(=O)O 364cadf1abbba11562b6300286d4c483 [0,1,0,1,0,0|2,0,0]=4 11287 B13R1.1029 NC(=O)CCNC[C@@H]1C[C@H]1C(=O)O c964806759d02cce65677899045be1aa [0,1,0,1,0,0|2,0,0]=4 11288 B13R1.1029 NC(=O)CCOCC1CC1C(=O)O e6973d7bf0f4af61a24b09d9f2fef2df [0,1,0,1,0,0|2,0,0]=4 11289 B13R1.1029 NC(=O)CCOC[C@@H]1C[C@H]1C(=O)O 3ddda90475e9c7433fbafc0636755484 [0,1,0,1,0,0|2,0,0]=4 11290 B13R1.1029 NC(=O)CCOC[C@H]1C[C@@H]1C(=O)O 31c75f03e4cbb8d62c1e44447f9e9c73 [0,1,0,1,0,0|2,0,0]=4 11291 B13R1.1029 NC(=O)CCOC[C@H]1C[C@H]1C(=O)O e2a5bbbfe9608fee4800d6cdfef9b933 [0,1,0,1,0,0|2,0,0]=4 11292 B13R1.1029 NC(=S)CCNCC1CC1C(=O)O 65ba7945a76df24848c3bb115f7408e3 [0,1,0,1,0,0|2,0,0]=4 11293 B13R1.1029 NC(=S)CCNC[C@@H]1C[C@H]1C(=O)O 128131233a0e30c09c4caee55d52bd36 [0,1,0,1,0,0|2,0,0]=4 11294 B13R1.1029 O=C(O)CCCN[C@@H]1C[C@@H]1C(=O)O 82870f9c14879f083f5e996cd69092a5 [0,1,0,1,0,0|2,0,0]=4 11295 B13R1.1029 O=C(O)CCCN[C@H]1C[C@@H]1C(=O)O 8bc18b03c8db615eda70ebedf4ec4eed [0,1,0,1,0,0|2,0,0]=4 11296 B13R1.1029 O=C(O)CCCN[C@H]1C[C@H]1C(=O)O 9124e5e37d89e3c64b6e5ddc33b9ea0a [0,1,0,1,0,0|2,0,0]=4 11297 B13R1.1029 O=C(O)CCNCC1CC1C(=O)O 35ef1078fa44ec9b1860c218c000e40d [0,1,0,1,0,0|2,0,0]=4 11298 B13R1.1029 O=C(O)CCNC[C@@H]1C[C@H]1C(=O)O 3e261bfcc89ead73b42b9688addc7f73 [0,1,0,1,0,0|2,0,0]=4 11299 B13R1.1029 O=C(O)CCOCC1CC1C(=O)O d6ac083856fdecf20ac6c09520832e2e [0,1,0,1,0,0|2,0,0]=4 11300 B13R1.1029 O=C(O)CCOC[C@@H]1C[C@H]1C(=O)O b2a466859714bdf79ffdd10163ae811e [0,1,0,1,0,0|2,0,0]=4 11301 B13R1.1029 O=C(O)CCOC[C@H]1C[C@@H]1C(=O)O 2dc9e54da60e253c91f2b01950836dd5 [0,1,0,1,0,0|2,0,0]=4 11302 B13R1.1029 O=C(O)CCOC[C@H]1C[C@H]1C(=O)O 93af1bcff2a1e2ef24b8903f061881e6 [0,1,0,1,0,0|2,0,0]=4 11303 B13R1.1065 C=C(C)CCCN1CCC1C(=O)N 443f2a2e97f6c5aad61bb7a140b1f361 [0,1,0,1,0,0|2,0,0]=4 11304 B13R1.1065 C=C(C)CCCN1CCC1C(=O)O 6be791b7304b8c0fa377e04800cae8a2 [0,1,0,1,0,0|1,0,0]=3 11305 B13R1.1065 C=C(C)CCCN1CC[C@@H]1C(=O)N 837fd4693e1c02993c9ba2a377488b75 [0,1,0,1,0,0|2,0,0]=4 11306 B13R1.1065 C=C(C)CCCN1CC[C@@H]1C(=O)O 7ea1b6b3df0934ae8b87d0e47c19d939 [0,1,0,1,0,0|1,0,0]=3 11307 B13R1.1065 C=C(C)CCCN1CC[C@H]1C(=O)N 66c1deec25842a9b459d339ba2cff549 [0,1,0,1,0,0|2,0,0]=4 11308 B13R1.1065 C=C(C)CCCN1CC[C@H]1C(=O)O e57d55a702d78b30657f8ad75b7d257d [0,1,0,1,0,0|1,0,0]=3 11309 B13R1.1065 C=C(C)CCN[C@H]1CC[C@H]1C(=O)O 98ff0495034d4fce96a117db28cbe658 [0,1,0,1,0,0|1,0,0]=3 11310 B13R1.1065 C=C(C)CCOC1CCC1C(=O)O 5eb31bfc4dd180730c0b50d81aeb9bf2 [0,1,0,1,0,0|1,0,0]=3 11311 B13R1.1065 C=C(C)CCO[C@H]1CC[C@@H]1C(=O)O 5c4209c42dee4a2ec1a09e6a685f4711 [0,1,0,1,0,0|1,0,0]=3 11312 B13R1.1065 CC(=O)CCCN1CCC1C(=O)O a12ab26c3d04b22ce16dad8a5a810df4 [0,1,0,1,0,0|1,0,1]=4 11313 B13R1.1065 CC(=O)CCCN1CC[C@@H]1C(=O)O 92831a4e33536df1671a69dc02a77c99 [0,1,0,1,0,0|1,0,1]=4 11314 B13R1.1065 CC(=O)CCCN1CC[C@H]1C(=O)O be6b86df5a3998922d90b7cbc96e8920 [0,1,0,1,0,0|1,0,1]=4 11315 B13R1.1065 CC(=O)CCN[C@H]1CC[C@H]1C(=O)O d7b29d4991f3bfb75fa3c1b411da67b1 [0,1,0,1,0,0|1,0,1]=4 11316 B13R1.1065 CC(=O)CCOC1CCC1C(=O)O 9cc5e401a52d17bef33e764e28b16540 [0,1,0,1,0,0|1,0,1]=4 11317 B13R1.1065 CC(=O)CCO[C@H]1CC[C@@H]1C(=O)O 76c62172159c179e708887161f691184 [0,1,0,1,0,0|1,0,1]=4 11318 B13R1.1065 NC(=O)C1CCN1CCCC(=O)O 71a7e448497fb9f0d87ffa201c7fa5cb [0,1,0,1,0,0|2,0,0]=4 11319 B13R1.1065 NC(=O)CCCN1CCC1C(=O)O 24f951e66e4bc8394b63aa88879ba556 [0,1,0,1,0,0|2,0,0]=4 11320 B13R1.1065 NC(=O)CCCN1CC[C@@H]1C(=O)O 1fae50d3df0dc0bb538129289591bc3b [0,1,0,1,0,0|2,0,0]=4 11321 B13R1.1065 NC(=O)CCCN1CC[C@H]1C(=O)O ba1e20e30d737646fbe3349da11eb90a [0,1,0,1,0,0|2,0,0]=4 11322 B13R1.1065 NC(=O)CCN[C@H]1CC[C@H]1C(=O)O 590d089c7887f7b28f55799204f1312a [0,1,0,1,0,0|2,0,0]=4 11323 B13R1.1065 NC(=O)CCOC1CCC1C(=O)O 07f64b361add801b6c307f64e52e2307 [0,1,0,1,0,0|2,0,0]=4 11324 B13R1.1065 NC(=O)CCO[C@H]1CC[C@@H]1C(=O)O 882117146862abe28ea83251f9ab6036 [0,1,0,1,0,0|2,0,0]=4 11325 B13R1.1065 NC(=O)[C@@H]1CCN1CCCC(=O)O fda6de95c83aae5482d21ab66699465b [0,1,0,1,0,0|2,0,0]=4 11326 B13R1.1065 NC(=O)[C@H]1CCN1CCCC(=O)O 9d2c71e78fb299db3801246d3047e969 [0,1,0,1,0,0|2,0,0]=4 11327 B13R1.1065 O=C(O)CCCN1CCC1C(=O)O 61d449cc3bcb76af9bab907166d28e5d [0,1,0,1,0,0|2,0,0]=4 11328 B13R1.1065 O=C(O)CCCN1CC[C@@H]1C(=O)O 19573a7ef766fbbdcb64e9103410a94c [0,1,0,1,0,0|2,0,0]=4 11329 B13R1.1065 O=C(O)CCCN1CC[C@H]1C(=O)O 95013c22fdbd9ded0ea236f1f5a77927 [0,1,0,1,0,0|2,0,0]=4 11330 B13R1.1065 O=C(O)CCN[C@H]1CC[C@H]1C(=O)O f00d9b0011567bfc7b41f21e321d23e4 [0,1,0,1,0,0|2,0,0]=4 11331 B13R1.1065 O=C(O)CCOC1CCC1C(=O)O f6c1c208cebd9ae1dfeb5379b4e2a336 [0,1,0,1,0,0|2,0,0]=4 11332 B13R1.1065 O=C(O)CCO[C@H]1CC[C@@H]1C(=O)O 62f890dd2f75c5fb2a27632656cf899a [0,1,0,1,0,0|2,0,0]=4 11333 B13R1.1983 C=C(C)CCN1CCC1CC(=O)O 802ed96b9d98a008b55e8ea6083dc511 [0,1,0,1,0,0|1,0,0]=3 11334 B13R1.1983 CC(=O)CCN1CCC1CC(=O)O d41b3a9d607a97a92f1314051d0ddea7 [0,1,0,1,0,0|1,0,1]=4 11335 B13R1.1983 NC(=O)CCN1CCC1CC(=O)O 3a418cdde2c8a37e6cde3d43eda81575 [0,1,0,1,0,0|2,0,0]=4 11336 B13R1.1983 O=C(O)CCN1CCC1CC(=O)O ddf700cc01b1bd70a2a952aa6657ce63 [0,1,0,1,0,0|2,0,0]=4 11337 B13R1.3576 C=C(Br)CN[C@@H]1CCC[C@@H]1C(=O)O 6d66726c81a2b5d319b08c16fc9c590d [0,1,0,1,0,0|1,0,0]=3 11338 B13R1.3576 C=C(Br)CN[C@@H]1COC[C@@H]1C(=O)O 0ddc6869a346c97c41958e9d4efe13db [0,1,0,1,0,0|2,0,0]=4 11339 B13R1.3576 C=C(Br)CN[C@@H]1COC[C@H]1C(=O)O 0f16c98f806214fa08fbb2b5b6c76460 [0,1,0,1,0,0|2,0,0]=4 11340 B13R1.3576 C=C(Br)CN[C@H]1CCC[C@@H]1C(=O)O 4bbf6b57140343becd9a3a17501eaa24 [0,1,0,1,0,0|1,0,0]=3 11341 B13R1.3576 C=C(Br)CN[C@H]1CCC[C@H]1C(=O)O 8b03420570be93f6fde211d7e41f0fba [0,1,0,1,0,0|1,0,0]=3 11342 B13R1.3576 C=C(Br)CN[C@H]1COC[C@@H]1C(=O)O b09f62e1310697acbf1812a80d15b505 [0,1,0,1,0,0|2,0,0]=4 11343 B13R1.3576 C=C(Br)CN[C@H]1COC[C@H]1C(=O)O 7248db8bb1a132ea5a81509890378a65 [0,1,0,1,0,0|2,0,0]=4 11344 B13R1.3576 C=C(Br)COC1CCCC1C(=O)N 89bdcdd3668a4cce1269a320026e7d0f [0,1,0,1,0,0|2,0,0]=4 11345 B13R1.3576 C=C(Br)COC1CCCC1C(=O)O cf31ea1f78e1c33ba9ce1ef5af7dda48 [0,1,0,1,0,0|1,0,0]=3 11346 B13R1.3576 C=C(Br)CO[C@@H]1CCC[C@@H]1C(=O)O 70f0ed68518e5c2fd773ba574ed8f797 [0,1,0,1,0,0|1,0,0]=3 11347 B13R1.3576 C=C(Br)CO[C@@H]1CCC[C@H]1C(=O)O eb51003539876eed917ecfe7ad469ce2 [0,1,0,1,0,0|1,0,0]=3 11348 B13R1.3576 C=C(Br)CO[C@H]1CCC[C@H]1C(=O)O ac8225de51189258ecd5b84177bcbf4c [0,1,0,1,0,0|1,0,0]=3 11349 B13R1.3576 C=C(C)CCN1CCCC1C(=O)N 6f3b843dab13dddcfbb7797e93968c1c [0,1,0,1,0,0|2,0,0]=4 11350 B13R1.3576 C=C(C)CCN1CCCC1C(=O)O f943e8c02d44fe0ea45f90661fefad38 [0,1,0,1,0,0|1,0,0]=3 11351 B13R1.3576 C=C(C)CCN1CCC[C@@H]1C(=O)N 6555be4baf75577786dc24e5b4840436 [0,1,0,1,0,0|2,0,0]=4 11352 B13R1.3576 C=C(C)CCN1CCC[C@@H]1C(=O)O 54b4b826b817b9b15890cb45ce98f8f5 [0,1,0,1,0,0|1,0,0]=3 11353 B13R1.3576 C=C(C)CCN1CCC[C@H]1C(=O)N afc8d3f65343d14c63e7f5ff7d3bd2e4 [0,1,0,1,0,0|2,0,0]=4 11354 B13R1.3576 C=C(C)CCN1CCC[C@H]1C(=O)O afaa8d378372d35662669e2a9d23a711 [0,1,0,1,0,0|1,0,0]=3 11355 B13R1.3576 C=C(C)CCN1CCSC1C(=O)O 5678b3652eb22650c902aa1197c348ad [0,1,0,1,0,0|2,0,0]=4 11356 B13R1.3576 C=C(C)CCN1CSCC1C(=O)O 5f8e1d80d43e30041e643efd885d6a4b [0,1,0,1,0,0|2,0,0]=4 11357 B13R1.3576 C=C(C)CCN1CSC[C@@H]1C(=O)O 3f906fe4cce95bcd1e21e7f43ca144e7 [0,1,0,1,0,0|2,0,0]=4 11358 B13R1.3576 C=C(C)CCN1CSC[C@H]1C(=O)O b68ee62e058d8223f08ca5b198940eb7 [0,1,0,1,0,0|2,0,0]=4 11359 B13R1.3576 C=C(C)CN[C@@H]1CCC[C@@H]1C(=O)O 79e93dd82b36c5afebb69e6dc1226ebd [0,1,0,1,0,0|1,0,0]=3 11360 B13R1.3576 C=C(C)CN[C@@H]1COC[C@@H]1C(=O)O d39e49ce36d2f9dc06f9458b93854019 [0,1,0,1,0,0|2,0,0]=4 11361 B13R1.3576 C=C(C)CN[C@@H]1COC[C@H]1C(=O)O 41c95a666d15804835aa34908c2abe25 [0,1,0,1,0,0|2,0,0]=4 11362 B13R1.3576 C=C(C)CN[C@H]1CCC[C@@H]1C(=O)O d1631945e05291d7daff3224fb63df48 [0,1,0,1,0,0|1,0,0]=3 11363 B13R1.3576 C=C(C)CN[C@H]1CCC[C@H]1C(=O)O 120f4f8b0ec02310fe73e8386d721261 [0,1,0,1,0,0|1,0,0]=3 11364 B13R1.3576 C=C(C)CN[C@H]1COC[C@@H]1C(=O)O 3530aba9fc25ab3e1c4572a9f82d2736 [0,1,0,1,0,0|2,0,0]=4 11365 B13R1.3576 C=C(C)CN[C@H]1COC[C@H]1C(=O)O f70c9d74d3ca9f6c951bda94898e3019 [0,1,0,1,0,0|2,0,0]=4 11366 B13R1.3576 C=C(C)COC1CCCC1C(=O)N 097c9c2d98dae9227690ff1cc08e0277 [0,1,0,1,0,0|2,0,0]=4 11367 B13R1.3576 C=C(C)COC1CCCC1C(=O)O b1362a95dc50412ec044505277b0b76d [0,1,0,1,0,0|1,0,0]=3 11368 B13R1.3576 C=C(C)CO[C@@H]1CCC[C@@H]1C(=O)O 6a60787b0497da29f9d9bc16cb36b430 [0,1,0,1,0,0|1,0,0]=3 11369 B13R1.3576 C=C(C)CO[C@@H]1CCC[C@H]1C(=O)O 0782a821e97ae6a25e8168999bb5c8ca [0,1,0,1,0,0|1,0,0]=3 11370 B13R1.3576 C=C(C)CO[C@H]1CCC[C@H]1C(=O)O 7f4179964b4ed2d7610abdd2db75760c [0,1,0,1,0,0|1,0,0]=3 11371 B13R1.3576 C=C(Cl)CN[C@@H]1CCC[C@@H]1C(=O)O b899204a6fddf3745e46df63246cecb0 [0,1,0,1,0,0|1,0,0]=3 11372 B13R1.3576 C=C(Cl)CN[C@@H]1COC[C@@H]1C(=O)O 585c848bdd2ae0567858c67fedf45c4e [0,1,0,1,0,0|2,0,0]=4 11373 B13R1.3576 C=C(Cl)CN[C@@H]1COC[C@H]1C(=O)O 40252391d3865544e80a79803a15a34a [0,1,0,1,0,0|2,0,0]=4 11374 B13R1.3576 C=C(Cl)CN[C@H]1CCC[C@@H]1C(=O)O b1b78e02dd82e2c533de3959bfa1b3ab [0,1,0,1,0,0|1,0,0]=3 11375 B13R1.3576 C=C(Cl)CN[C@H]1CCC[C@H]1C(=O)O 983bc896192370b4026228d234c68c84 [0,1,0,1,0,0|1,0,0]=3 11376 B13R1.3576 C=C(Cl)CN[C@H]1COC[C@@H]1C(=O)O 3d0fe670beb4c779c05e0626d26e0ebd [0,1,0,1,0,0|2,0,0]=4 11377 B13R1.3576 C=C(Cl)CN[C@H]1COC[C@H]1C(=O)O 99258db1fed6948d011468daa91b7cbd [0,1,0,1,0,0|2,0,0]=4 11378 B13R1.3576 C=C(Cl)COC1CCCC1C(=O)N 114a80a81cb35adfcb8a318dfb8b60c5 [0,1,0,1,0,0|2,0,0]=4 11379 B13R1.3576 C=C(Cl)COC1CCCC1C(=O)O 84ed213c63b280e962b6074ce0d7f97a [0,1,0,1,0,0|1,0,0]=3 11380 B13R1.3576 C=C(Cl)CO[C@@H]1CCC[C@@H]1C(=O)O d09a087a38748aadc12adeaec1db05f0 [0,1,0,1,0,0|1,0,0]=3 11381 B13R1.3576 C=C(Cl)CO[C@@H]1CCC[C@H]1C(=O)O 9cbc55bcc5fd3b4064a7ce1e024dbbf6 [0,1,0,1,0,0|1,0,0]=3 11382 B13R1.3576 C=C(Cl)CO[C@H]1CCC[C@H]1C(=O)O edeec04f66c938125d9df8cd04f6377f [0,1,0,1,0,0|1,0,0]=3 11383 B13R1.3576 C=C(F)CN[C@@H]1CCC[C@@H]1C(=O)O da5fb9bfcaa7e0a1953ed9ac1f46d8aa [0,1,0,1,0,0|1,0,0]=3 11384 B13R1.3576 C=C(F)CN[C@@H]1COC[C@@H]1C(=O)O 09877b0acb3b9e2915c5dc376d4294e6 [0,1,0,1,0,0|2,0,0]=4 11385 B13R1.3576 C=C(F)CN[C@@H]1COC[C@H]1C(=O)O 25c96c5794ed0e6ae565c2bea570a68c [0,1,0,1,0,0|2,0,0]=4 11386 B13R1.3576 C=C(F)CN[C@H]1CCC[C@@H]1C(=O)O 36f857dd8c4cb896d568c7fc339d1376 [0,1,0,1,0,0|1,0,0]=3 11387 B13R1.3576 C=C(F)CN[C@H]1CCC[C@H]1C(=O)O c39dd1a0ae6a1ca1b44e709ba6f7b5f8 [0,1,0,1,0,0|1,0,0]=3 11388 B13R1.3576 C=C(F)CN[C@H]1COC[C@@H]1C(=O)O a83972f8178b1fa1bc27d00a804cf609 [0,1,0,1,0,0|2,0,0]=4 11389 B13R1.3576 C=C(F)CN[C@H]1COC[C@H]1C(=O)O 4f5f90b5142d04aee41790d0b0225a99 [0,1,0,1,0,0|2,0,0]=4 11390 B13R1.3576 C=C(F)COC1CCCC1C(=O)N f5d198a6ce6aa9755242572563579f2b [0,1,0,1,0,0|2,0,0]=4 11391 B13R1.3576 C=C(F)COC1CCCC1C(=O)O 656b8833d0fdcc0401e3e5be671a37dc [0,1,0,1,0,0|1,0,0]=3 11392 B13R1.3576 C=C(F)CO[C@@H]1CCC[C@@H]1C(=O)O 25aa6a7ee1a44327516f15e1312a7a22 [0,1,0,1,0,0|1,0,0]=3 11393 B13R1.3576 C=C(F)CO[C@@H]1CCC[C@H]1C(=O)O e7358d291cdfa2bf73041a613aa342cc [0,1,0,1,0,0|1,0,0]=3 11394 B13R1.3576 C=C(F)CO[C@H]1CCC[C@H]1C(=O)O b9b21068e553c6b421be66f2b2b674fa [0,1,0,1,0,0|1,0,0]=3 11395 B13R1.3576 CC(=O)CCN1CCCC1C(=O)O bb76cd54d0cf91922be30106ce7ac25d [0,1,0,1,0,0|1,0,1]=4 11396 B13R1.3576 CC(=O)CCN1CCC[C@@H]1C(=O)O 8d4bd3cd8f55d3b951147262e2c51d87 [0,1,0,1,0,0|1,0,1]=4 11397 B13R1.3576 CC(=O)CCN1CCC[C@H]1C(=O)O 15c0a213a801ea34c0a196bf062e5b92 [0,1,0,1,0,0|1,0,1]=4 11398 B13R1.3576 NC(=O)C1CCCC1OCC(=O)O 83a02ae4aec5c55077735139ef427620 [0,1,0,1,0,0|2,0,0]=4 11399 B13R1.3576 NC(=O)C1CCCN1CCC(=O)O 75b47ca0b7a1ec0ff1d7b94c4aba47d8 [0,1,0,1,0,0|2,0,0]=4 11400 B13R1.3576 NC(=O)CCN1CCCC1C(=O)O 1b3c854ae43ac2ebeced2ce6c573bd44 [0,1,0,1,0,0|2,0,0]=4 11401 B13R1.3576 NC(=O)CCN1CCC[C@@H]1C(=O)O 11bc8addbb8d3a2fef1d1965236caace [0,1,0,1,0,0|2,0,0]=4 11402 B13R1.3576 NC(=O)CCN1CCC[C@H]1C(=O)O 8035eb6818267a97130d4f09a064cc7c [0,1,0,1,0,0|2,0,0]=4 11403 B13R1.3576 NC(=O)CN[C@@H]1CCC[C@@H]1C(=O)O 73558b5f7d78396f358266d4e354134f [0,1,0,1,0,0|2,0,0]=4 11404 B13R1.3576 NC(=O)CN[C@H]1CCC[C@@H]1C(=O)O 45c1ddfb73f687b702dfac29c4a11080 [0,1,0,1,0,0|2,0,0]=4 11405 B13R1.3576 NC(=O)CN[C@H]1CCC[C@H]1C(=O)O 46da6d73771b4168fef43fa112d06901 [0,1,0,1,0,0|2,0,0]=4 11406 B13R1.3576 NC(=O)COC1CCCC1C(=O)O a764cec375e757dca4aa45de24b55318 [0,1,0,1,0,0|2,0,0]=4 11407 B13R1.3576 NC(=O)CO[C@@H]1CCC[C@@H]1C(=O)O adfa26d2ebc983cc92e654538bffc571 [0,1,0,1,0,0|2,0,0]=4 11408 B13R1.3576 NC(=O)CO[C@@H]1CCC[C@H]1C(=O)O 667286afb9ea351824639ae18725f7c2 [0,1,0,1,0,0|2,0,0]=4 11409 B13R1.3576 NC(=O)CO[C@H]1CCC[C@H]1C(=O)O 0271fbe312c027bc88092d113f758e0c [0,1,0,1,0,0|2,0,0]=4 11410 B13R1.3576 NC(=O)[C@@H]1CCCN1CCC(=O)O fe3d8d02925599f33b6040b4f7e2054a [0,1,0,1,0,0|2,0,0]=4 11411 B13R1.3576 NC(=O)[C@H]1CCCN1CCC(=O)O a50f2d39fb2a3229ce371b9492ff23e6 [0,1,0,1,0,0|2,0,0]=4 11412 B13R1.3576 O=C(O)CCN1CCCC1C(=O)O 3b9822283c73aac94dbfa08af92518d7 [0,1,0,1,0,0|2,0,0]=4 11413 B13R1.3576 O=C(O)CCN1CCC[C@@H]1C(=O)O 9ccc3b111eb1ac07c4091856dc29a198 [0,1,0,1,0,0|2,0,0]=4 11414 B13R1.3576 O=C(O)CCN1CCC[C@H]1C(=O)O adf641c40e1732edbb6944bd5e6dfc94 [0,1,0,1,0,0|2,0,0]=4 11415 B13R1.3576 O=C(O)CN[C@@H]1CCC[C@@H]1C(=O)O 4df9f9e03750d2013391114a9adba80d [0,1,0,1,0,0|2,0,0]=4 11416 B13R1.3576 O=C(O)CN[C@H]1CCC[C@@H]1C(=O)O e0d89d34da245400e8876f8a5e38f131 [0,1,0,1,0,0|2,0,0]=4 11417 B13R1.3576 O=C(O)CN[C@H]1CCC[C@H]1C(=O)O 0930d80a186f9f635dbab2887851fba3 [0,1,0,1,0,0|2,0,0]=4 11418 B13R1.3576 O=C(O)COC1CCCC1C(=O)O 04aac46ef134e3a576cdf32d352c1ed7 [0,1,0,1,0,0|2,0,0]=4 11419 B13R1.3576 O=C(O)CO[C@@H]1CCC[C@@H]1C(=O)O 0196ce0003861d433b3114db5e593e2a [0,1,0,1,0,0|2,0,0]=4 11420 B13R1.3576 O=C(O)CO[C@@H]1CCC[C@H]1C(=O)O 48373505c5847423e4c1237ca7d3981b [0,1,0,1,0,0|2,0,0]=4 11421 B13R1.3576 O=C(O)CO[C@H]1CCC[C@H]1C(=O)O 873711ee9cdbe1ed2419c3b8be4d5b49 [0,1,0,1,0,0|2,0,0]=4 11422 B13R1.20 C=CCC(C)CN1CCCC(=O)C1 db09be7782604bbd916415f488519699 [0,1,0,1,0,0|2,0,0]=4 11423 B13R1.20 C=CCC(C)OC1CCCC(=O)C1 9ecbd36a33248f027991553b3b170fa1 [0,1,0,1,0,0|2,0,0]=4 11424 B13R1.20 C=CC[C@@H](C)OC1CCCC(=O)C1 962a882e1a78a4566987c91830c80924 [0,1,0,1,0,0|2,0,0]=4 11425 B13R1.20 C=CC[C@H](C)OC1CCCC(=O)C1 b2940550858b418ea15ee81d8ce5351d [0,1,0,1,0,0|2,0,0]=4 11426 B13R1.41 C=CCC(C)COC1CCC(=O)C1 3c1ebe72b47647955e95821bc9717972 [0,1,0,1,0,0|2,0,0]=4 11427 B13R1.41 C=CCC(C)OCC1CCC(=O)N1 9b550c420e130848e120295f54a2d478 [0,1,0,1,0,0|2,0,0]=4 11428 B13R1.41 C=CCC(C)OCC1CCC(=O)O1 6d567bf4e3c4ed7d6f1197c80c83157a [0,1,0,1,0,0|1,0,0]=3 11429 B13R1.41 C=CCC(C)OC[C@@H]1CCC(=O)N1 996d4818e00a4e24d72a6b3f0f50441b [0,1,0,1,0,0|2,0,0]=4 11430 B13R1.41 C=CCC(C)OC[C@H]1CCC(=O)N1 a9ea4b56adf33f0fd257f1023da31128 [0,1,0,1,0,0|2,0,0]=4 11431 B13R1.41 C=CC[C@@H](C)OCC1CCC(=O)N1 b1dbbe1098fd56cb5866e2865b67bb9e [0,1,0,1,0,0|2,0,0]=4 11432 B13R1.41 C=CC[C@@H](C)OCC1CCC(=O)O1 827d49b02e0d9c38a166ef7ed68fc935 [0,1,0,1,0,0|1,0,0]=3 11433 B13R1.41 C=CC[C@@H](C)OC[C@@H]1CCC(=O)N1 dac969a850f4ed93245526f6dba44c48 [0,1,0,1,0,0|2,0,0]=4 11434 B13R1.41 C=CC[C@@H](C)OC[C@H]1CCC(=O)N1 8ce770da14441bcc0c270d12093a6309 [0,1,0,1,0,0|2,0,0]=4 11435 B13R1.41 C=CC[C@H](C)OCC1CCC(=O)N1 51686631bbc52c48a91a6edfe15aba35 [0,1,0,1,0,0|2,0,0]=4 11436 B13R1.41 C=CC[C@H](C)OCC1CCC(=O)O1 839873888363f4a2869bc7f6dce376d8 [0,1,0,1,0,0|1,0,0]=3 11437 B13R1.41 C=CC[C@H](C)OC[C@@H]1CCC(=O)N1 e652702857c9e063250ae1ebdba3f06b [0,1,0,1,0,0|2,0,0]=4 11438 B13R1.41 C=CC[C@H](C)OC[C@H]1CCC(=O)N1 68bbef11da2dd85d78623fe957240f6c [0,1,0,1,0,0|2,0,0]=4 11439 B13R1.462 C=CCC(C)COCC1CC(=O)C1 cf196852f496e51e8dfab6838255dfa5 [0,1,0,1,0,0|2,0,0]=4 11440 B13R1.462 C=CCC(C)COCC1CC(=O)N1 a61256b1378ba66a41504c8c3f158579 [0,1,0,1,0,0|2,0,0]=4 11441 B13R1.462 C=CCC(C)COCC1CC(=O)O1 b7e476651a84817402f0d7453c7a445c [0,1,0,1,0,0|1,0,0]=3 11442 B13R1.462 C=CCC(C)COC[C@@H]1CC(=O)N1 b41bffdbd1d868aa138f88cc3aaf3ecf [0,1,0,1,0,0|2,0,0]=4 11443 B13R1.462 C=CCC(C)COC[C@H]1CC(=O)N1 b72cb2c87b393697831f70e6aa3fb897 [0,1,0,1,0,0|2,0,0]=4 11444 B13R1.462 C=CCC(O)CNCC1CC(=O)C1 3a1a78621ee72d7f99a04d41c3f7d839 [0,1,0,1,0,0|2,0,0]=4 11445 B13R1.462 C=CCC(O)CNCC1CC(=O)N1 da3c45608dd60c85d37c3f9c044b54ca [0,1,0,1,0,0|2,0,0]=4 11446 B13R1.462 C=CCC(O)CNCC1CC(=O)O1 4b19e9a2bf5385da4670f165e0a766f9 [0,1,0,1,0,0|1,0,0]=3 11447 B13R1.1474 C=CCC(C)CN1CCC1C(=O)N 466c06cd029c57144deab696b42a1954 [0,1,0,1,0,0|2,0,0]=4 11448 B13R1.1474 C=CCC(C)CN1CCC1C(=O)O d0a20f581e0db1f6f78df62dffb6e5f3 [0,1,0,1,0,0|1,0,0]=3 11449 B13R1.1474 C=CCC(C)CN1CC[C@@H]1C(=O)N 4b03f2902fddeab7945e0b4018d60131 [0,1,0,1,0,0|2,0,0]=4 11450 B13R1.1474 C=CCC(C)CN1CC[C@@H]1C(=O)O e0e550ca13816a3ff9cd06a71183c2d5 [0,1,0,1,0,0|1,0,0]=3 11451 B13R1.1474 C=CCC(C)CN1CC[C@H]1C(=O)N 5778d9e753761a9ccb7e41d826fab030 [0,1,0,1,0,0|2,0,0]=4 11452 B13R1.1474 C=CCC(C)CN1CC[C@H]1C(=O)O 8d701ed42885307974edfa81fb5e75ef [0,1,0,1,0,0|1,0,0]=3 11453 B13R1.1480 C=CCC(C)CO[C@@H]1C[C@@H]1C(=O)O f41e558008b5567751ecb44241c15b35 [0,1,0,1,0,0|1,0,0]=3 11454 B13R1.1480 C=CCC(C)CO[C@H]1C[C@@H]1C(=O)O 271be8f1bd424bc11efe9c2ada78ab5a [0,1,0,1,0,0|1,0,0]=3 11455 B13R1.1480 C=CCC(C)CO[C@H]1C[C@H]1C(=O)O eb255a4839e0cda1c5bd158d9b0901f0 [0,1,0,1,0,0|1,0,0]=3 11456 B13R1.1480 C=CCC(C)OCC1CC1C(=O)O 8aaefe953081310179c21b567ccc70a2 [0,1,0,1,0,0|1,0,0]=3 11457 B13R1.1480 C=CCC(C)OC[C@@H]1C[C@H]1C(=O)O c7e0b13e6b23ee8fa8c85becf48dd395 [0,1,0,1,0,0|1,0,0]=3 11458 B13R1.1480 C=CCC(O)CN[C@@H]1C[C@@H]1C(=O)O ecb3999a2fda04f89b1ef8d3568ed671 [0,1,0,1,0,0|1,0,0]=3 11459 B13R1.1480 C=CCC(O)CN[C@H]1C[C@@H]1C(=O)O f0288ee259b46ce58a42f5874e8c4942 [0,1,0,1,0,0|1,0,0]=3 11460 B13R1.1480 C=CCC(O)CN[C@H]1C[C@H]1C(=O)O 3caadf7ea7d379904e0e4162c216a571 [0,1,0,1,0,0|1,0,0]=3 11461 B13R1.1480 C=CC[C@@H](C)OCC1CC1C(=O)O 739efca8a4965575c795006a23b3a31d [0,1,0,1,0,0|1,0,0]=3 11462 B13R1.1480 C=CC[C@@H](C)OC[C@@H]1C[C@H]1C(=O)O 0663161711dd5364ef1ac8235c11b82c [0,1,0,1,0,0|1,0,0]=3 11463 B13R1.1480 C=CC[C@H](C)OCC1CC1C(=O)O 10acda14d23a1842756e2c00290142f3 [0,1,0,1,0,0|1,0,0]=3 11464 B13R1.1480 C=CC[C@H](C)OC[C@@H]1C[C@H]1C(=O)O 1106b810be8a3aa17001b4662907b227 [0,1,0,1,0,0|1,0,0]=3 11465 B13R2.259 C=CCN1CCC2C1CC(=O)N2 f6bd5e2f35e9226a0fdc3c7c8b7af7f4 [0,0,0,2,0,0|2,0,0]=4 11466 B13R2.259 C=CCN1CC[C@H]2[C@@H]1CC(=O)N2 ed99b8778f0e6c2d403bd88041875428 [0,0,0,2,0,0|2,0,0]=4 11467 B13R2.483 C=CCCN1CC2CC1C(=O)N2 6ce24ead203839577c6e1d812f4c145f [0,0,0,2,0,0|2,0,0]=4 11468 B13R2.483 C=CCCN1C[C@@H]2C[C@H]1C(=O)N2 50d80613282371359bd9fafdda1c2049 [0,0,0,2,0,0|2,0,0]=4 11469 B13R2.483 C=CCCN1C[C@H]2C[C@@H]1C(=O)N2 e735aea0513e1aa0e1447977cb42e650 [0,0,0,2,0,0|2,0,0]=4 11470 B13R2.270 C=CCN1CC2CC(=O)CC1C2 d75ef749e88989c8410687c76dceef4d [0,0,0,2,0,0|2,0,0]=4 11471 B13R2.2409 C=CCN1CC2CCC1C(=O)N2 5d09c444a2c0dfef021e805ec23d2b83 [0,0,0,2,0,0|2,0,0]=4 11472 B13R2.31 O=C1CC(C1)OC2C=CCCC2 d69a561e1dfa1731ff81d886a1ac660b [0,0,0,2,0,0|2,0,0]=4 11473 B13R2.241 O=C1CC(C1)COC2C=CCC2 8afd3c6278f3dcb4fe343a97327a7428 [0,0,0,2,0,0|2,0,0]=4 11474 B13R2.241 O=C1CC(N1)COC2C=CCC2 1439fd79f2a396db5526fb30fc04ed49 [0,0,0,2,0,0|2,0,0]=4 11475 B13R2.241 O=C1CC(O1)COC2C=CCC2 a600f80ad50373f751e7cc5da43f9184 [0,0,0,2,0,0|1,0,0]=3 11476 B13R2.399 C=C1CC1COCC2CC(=O)C2 c28de95aa56bf9fbaac9e81be9186dc7 [0,0,0,2,0,0|2,0,0]=4 11477 B13R2.399 C=C1CC1COCC2CC(=O)N2 f1cab07d7f450123b486a55cdeccbe4c [0,0,0,2,0,0|2,0,0]=4 11478 B13R2.399 C=C1CC1COCC2CC(=O)O2 63d89e555158e769999503006bb77445 [0,0,0,2,0,0|1,0,0]=3 11479 B13R2.3043 O=C1CC(O1)COC2CCC2=O 8c3fb09557bbf7b61c8b21a9346ca68e [0,0,0,2,0,0|2,0,0]=4 11480 B13R2.1264 NC(=O)COC1C2C=CC1CC2 5e4b974feda0867ec7e596efb490eddb [0,0,0,2,0,0|2,0,0]=4 11481 B13R2.1264 O=C(O)COC1C2C=CC1CC2 529b7984355f182e071be3879780c82b [0,0,0,2,0,0|1,0,0]=3 11482 B13R2.5551 CC(=O)CCN1CC2C=CC1C2 7d871ac3b2c881cbadf2d1ca57a8539b [0,0,0,2,0,0|2,0,0]=4 11483 B13R2.5551 CC(=O)CCN1C[C@H]2C=C[C@@H]1C2 b38f59973c2651e01bd7ecc78b1cd5a9 [0,0,0,2,0,0|2,0,0]=4 11484 B13R2.5551 CC(=O)NCC1CC2C=CC1C2 bcaaf14a71e27db0c35eaa9cdc086e8d [0,0,0,2,0,0|2,0,0]=4 11485 B13R2.5551 CC(=O)NCC1C[C@@H]2C=C[C@H]1C2 ef1fc8799c92f050cc1cece5294a1688 [0,0,0,2,0,0|2,0,0]=4 11486 B13R2.5551 NC(=O)CCN1CC2C=CC1C2 b04828fd192de3b7f54368a7fb47934c [0,0,0,2,0,0|2,0,0]=4 11487 B13R2.5551 NC(=O)CCN1C[C@H]2C=C[C@@H]1C2 d0cd2eb7ced10e73582ec8bc74eab1c9 [0,0,0,2,0,0|2,0,0]=4 11488 B13R2.5551 NC(=O)CNC1CC2C=CC1C2 58c1b7887e6afef11cfaf6f449e7d27f [0,0,0,2,0,0|2,0,0]=4 11489 B13R2.5551 NC(=O)CNC1C[C@H]2C=C[C@@H]1C2 241f3d0b5ead0a0e2d5234b6ab9f4389 [0,0,0,2,0,0|2,0,0]=4 11490 B13R2.5551 NC(=O)COC1CC2C=CC1C2 056269798a2ac1fa7152849e1440c4ab [0,0,0,2,0,0|2,0,0]=4 11491 B13R2.5551 NC(=O)COC1C[C@H]2C=C[C@@H]1C2 b7f2580aaf447a98d87c6414cfb4df2e [0,0,0,2,0,0|2,0,0]=4 11492 B13R2.5551 O=C(O)CCN1CC2C=CC1C2 66a09207c81bf78f92546f65be79ce1b [0,0,0,2,0,0|1,0,0]=3 11493 B13R2.5551 O=C(O)CCN1C[C@H]2C=C[C@@H]1C2 8b24aee2affa255ad2f2847a2679a92a [0,0,0,2,0,0|1,0,0]=3 11494 B13R2.5551 O=C(O)CNC1CC2C=CC1C2 ce9e89805437fc520e24563264526c34 [0,0,0,2,0,0|1,0,0]=3 11495 B13R2.5551 O=C(O)CNC1C[C@H]2C=C[C@@H]1C2 6c499b574637e4c15f3d834e82fcc247 [0,0,0,2,0,0|1,0,0]=3 11496 B13R2.5551 O=C(O)COC1CC2C=CC1C2 0ee7d5c13987ab6699423377702afc3a [0,0,0,2,0,0|1,0,0]=3 11497 B13R2.5551 O=C(O)COC1C[C@H]2C=C[C@@H]1C2 291dc2749716e4b49d45e7b409f837f6 [0,0,0,2,0,0|1,0,0]=3 11498 B13R2.5219 C=C1CC1CO[C@@H]2C[C@@H]2C(=O)O 472804b2662a48f2522db1adce852fe0 [0,0,0,2,0,0|1,0,0]=3 11499 B13R2.5219 C=C1CC1CO[C@H]2C[C@@H]2C(=O)O f54a08458301f9a18d4175bcf6ac3695 [0,0,0,2,0,0|1,0,0]=3 11500 B13R2.5219 C=C1CC1CO[C@H]2C[C@H]2C(=O)O 4c7cb1eb8d887606ff57a5af596dadad [0,0,0,2,0,0|1,0,0]=3 11501 B13R2.3611 O=C1CCC1O[C@@H]2C[C@@H]2C(=O)O 025465db6a93e40140af5855f6b34e2e [0,0,0,2,0,0|2,0,0]=4 11502 B13R2.3611 O=C1CCC1O[C@H]2C[C@@H]2C(=O)O 3936c24c79442086eb553b30cf93f3c0 [0,0,0,2,0,0|2,0,0]=4 11503 B13R2.3611 O=C1CCC1O[C@H]2C[C@H]2C(=O)O 305d9a7dbe86a68a830bedcabd0ea015 [0,0,0,2,0,0|2,0,0]=4 11504 B13R2.424 O=C(O)[C@@H]1C[C@@H]1OC2C=CCC2 66e5abf4f5cf4cde6a1b80c8a904f6b5 [0,0,0,2,0,0|1,0,0]=3 11505 B13R2.424 O=C(O)[C@H]1C[C@@H]1OC2C=CCC2 455b4d12bde54622a63832f66ef9daa7 [0,0,0,2,0,0|1,0,0]=3 11506 B13R2.424 O=C(O)[C@H]1C[C@H]1OC2C=CCC2 ea2d0681e78e491eac7d385a3571a21e [0,0,0,2,0,0|1,0,0]=3 11507 B13R2.4154 C=CCN1CCC2[C@]1(C2)C(=O)O 6129563737f92cf2f37eaf6ac292ff54 [0,0,0,2,0,0|1,0,0]=3 11508 B13R2.4154 C=CCN1CC[C@@H]2[C@]1(C2)C(=O)O 9e9a12bb64df49b8330eb26719ca623e [0,0,0,2,0,0|1,0,0]=3 11509 B13R2.4154 C=CCN1CC[C@H]2[C@@]1(C2)C(=O)O 2f3e669d4a6396001505da2368a60303 [0,0,0,2,0,0|1,0,0]=3 11510 B13R2.4154 O=CCN1CCC2[C@]1(C2)C(=O)O 42bf7f7a0f5e270a62ac2e18b25c4135 [0,0,0,2,0,0|2,0,0]=4 11511 B13R2.4154 O=CCN1CC[C@@H]2[C@]1(C2)C(=O)O 62f4674dc536b7c397b8480a31a5296d [0,0,0,2,0,0|2,0,0]=4 11512 B13R2.4154 O=CCN1CC[C@H]2[C@@]1(C2)C(=O)O 8be18e9c614e18e6ee068f244115027c [0,0,0,2,0,0|2,0,0]=4 11513 B13R2.4225 C=CCN1[C@@H](C[C@H]2[C@@H]1C2)C(=O)O c7f9866defcb8b370bbd982e47cf2772 [0,0,0,2,0,0|1,0,0]=3 11514 B13R2.4225 C=CCN1[C@@H]2C[C@@H]2C[C@H]1C(=O)O 9286604e120b9b605d67f17235b65f5a [0,0,0,2,0,0|1,0,0]=3 11515 B13R2.4225 O=CCN1[C@@H](C[C@H]2[C@@H]1C2)C(=O)O cc415c9863cefdd32c685d800bd1e4ef [0,0,0,2,0,0|2,0,0]=4 11516 B13R2.4225 O=CCN1[C@@H]2C[C@@H]2C[C@H]1C(=O)O e56488aea1cd0e55d84fc6916b9600a5 [0,0,0,2,0,0|2,0,0]=4 11517 B13R2.4564 C=CCN1CC2CC2C1C(=O)O 7ac6af5ba9804cecc1bd7e2e94a1ef5f [0,0,0,2,0,0|1,0,0]=3 11518 B13R2.4564 C=CCN1C[C@@H]2C[C@@H]2C1C(=O)O 21f1bf6e6972bd23e93140cfb5541c6a [0,0,0,2,0,0|1,0,0]=3 11519 B13R2.4564 C=CCN1C[C@@H]2C[C@@H]2[C@H]1C(=O)O ff24b57726f116ca092997c7687d889e [0,0,0,2,0,0|1,0,0]=3 11520 B13R2.4564 O=CCN1CC2CC2C1C(=O)O 3ad1a92f9da1c6a46ea141ed47c06c40 [0,0,0,2,0,0|2,0,0]=4 11521 B13R2.4564 O=CCN1C[C@@H]2C[C@@H]2C1C(=O)O de91daffc890dc1a479b99a5c02911ee [0,0,0,2,0,0|2,0,0]=4 11522 B13R2.4564 O=CCN1C[C@@H]2C[C@@H]2[C@H]1C(=O)O af30f2646a59a0c73b428748954c4e1f [0,0,0,2,0,0|2,0,0]=4 11523 B13R2.249 C=CCN1[C@@H]2CC[C@H]1CC(=O)C2 4853f691b4945d9cfe4467759f19802a [0,0,0,2,0,0|2,0,0]=4 11524 B13R2.1406 O=CC1CC1N2CCC2C(=O)O 5388f18ea37b573ba6eb5f89cbbdfdb7 [0,0,0,2,0,0|2,0,0]=4 11525 B13R2.1406 O=CC1CC1N2CC[C@@H]2C(=O)O 7d39751102ed34df99642bf58ba98e22 [0,0,0,2,0,0|2,0,0]=4 11526 B13R2.1406 O=CC1CC1N2CC[C@H]2C(=O)O 5b9b8802a9528b6d8658ce914d418dc3 [0,0,0,2,0,0|2,0,0]=4