0 B12R1.1618 CCCC(=O)NC1(CCCC1)C 3b888f7b9e4129ea8a21dd45b8f11144 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.1618 CCCN(C)CC1(CCCO1)C 949094ede62478d61ce953e8ad00f8a0 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.756 CCCNCC1(CCCO1)C df049434889ef2af7afe1f2986951d62 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.756 CCCOCC1(CCCO1)C c9db85dc12fe3f43dca5c29908cc8e6f [1,0,0,0,0,0|3,0,0]=4 4 B11R1.895 CCC(=O)NC1(CCCC1)C 53578151ae545be8b336e470b91dd9af [1,0,0,0,0,0|3,0,0]=4 5 B11R1.895 CCN(C)CC1(CCCO1)C dfa3c0235be93f7fb650ddd57cbe6b80 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.2547 CCOCC(=O)NC1(CCCC1)C 216edd3c259aba6cbd11d8fb76035c75 [0,1,0,0,0,0|3,0,0]=4 7 B13R1.2547 CCOCN(C)CC1(CCCO1)C 4c3a95a0a570b791e597b98e3c54938c [0,1,0,0,0,0|3,0,0]=4 8 B11R0.5 C#CCNC(C)CC(=O)OCC 134c6400ad806f1cd9b229830f0de1f4 [0,0,1,0,0,0|2,0,1]=4 9 B11R0.5 C#CCOC(C)CC(=O)OCC f452a68b5664d67f2db4be6311c2f6bf [0,0,1,0,0,0|1,0,1]=3 10 B11R0.5 C#CCOC(C)OC(=O)OCC 863f78f00dcfcb20e1ea772c642f8c8f [0,0,1,0,0,0|2,0,1]=4 11 B11R0.5 C#CCO[C@@H](C)CC(=O)OCC 61cfae44c65cd68c0f68f6964865ec84 [0,0,1,0,0,0|1,0,1]=3 12 B11R0.5 C#CCO[C@H](C)CC(=O)OCC 1bc3405f4cce011849c6d0bdb0559c2a [0,0,1,0,0,0|1,0,1]=3 13 B11R0.5 C=CCNC(C)CC(=O)OCC f0976b39642e209dd445fbcff095a1e3 [0,0,1,0,0,0|2,0,1]=4 14 B11R0.5 C=CCOC(C)CC(=O)OCC 20c304a54d1cf6bb8e3a5370695f5626 [0,0,1,0,0,0|1,0,1]=3 15 B11R0.5 C=CCO[C@@H](C)CC(=O)OCC 7fdea184796edf7b3ab0ebda7af9cc5c [0,0,1,0,0,0|1,0,1]=3 16 B11R0.5 C=CCO[C@H](C)CC(=O)OCC 5aa24e569326a85d4529ccb915411c1e [0,0,1,0,0,0|1,0,1]=3 17 B11R0.5 CCCC(=O)CN(C)CCCO 3176a519d03ba43dcee12bd5417a99aa [0,0,1,0,0,0|3,0,0]=4 18 B11R0.5 CCCC(=O)NC(C)CCCO c653f3238dd5ed5ce22fbd0bf1f1e75f [0,0,1,0,0,0|3,0,0]=4 19 B11R0.5 CCCC(=O)N[C@H](C)CCCO c022a4354d04fa63464693a3796bd84f [0,0,1,0,0,0|3,0,0]=4 20 B11R0.5 CCCCN(C)CC(=O)OCC 66588873868685277f1e6323ca93ab3b [0,0,1,0,0,0|3,0,0]=4 21 B11R0.5 CCCNC(C)CC(=O)OCC 4cd8834a858e3d0a1873cc056d8991da [0,0,1,0,0,0|2,0,0]=3 22 B11R0.5 CCCNC(C)OC(=O)OCC 63c80613f8e796087da31e8ca1b05e75 [0,0,1,0,0,0|3,0,0]=4 23 B11R0.5 CCCOC(C)CC(=O)OCC a9a559828e9beac6ca0cba22bdf2c0ed [0,0,1,0,0,0|1,0,0]=2 24 B11R0.5 CCCOC(C)OC(=O)OCC 04395d9cacdeb76959acd261d30b7e51 [0,0,1,0,0,0|2,0,0]=3 25 B11R0.5 CCCO[C@@H](C)CC(=O)OCC 99e55bc55c2f57c9f328e26219482cbd [0,0,1,0,0,0|1,0,0]=2 26 B11R0.5 CCCO[C@H](C)CC(=O)OCC 50122b0db756fef3e2071464e7d8c83a [0,0,1,0,0,0|1,0,0]=2 27 B11R0.5 CCNC(=O)CN(C)CCCO 1eecffbacd36a0f45523eb5be3361865 [0,0,1,0,0,0|3,0,0]=4 28 B11R0.5 CCOC(=O)CC(=O)NCCO 87ef72412196d8857169b82fffb30f5f [0,0,1,0,0,0|2,0,1]=4 29 B11R0.5 CCOC(=O)CC(C)NCC#N 022257efd73cbee44de4545e6d59a08d [0,0,1,0,0,0|2,0,1]=4 30 B11R0.5 CCOC(=O)CC(C)NCC=O 8e8488e6d748433cb7e4cefa0cbe3723 [0,0,1,0,0,0|1,0,2]=4 31 B11R0.5 CCOC(=O)CC(C)NCCBr 23386132c2fb40df07f9636e04e42c1e [0,0,1,0,0,0|2,0,0]=3 32 B11R0.5 CCOC(=O)CC(C)NCCF 558100352fb65496ae4103cf7ed8efb4 [0,0,1,0,0,0|2,0,0]=3 33 B11R0.5 CCOC(=O)CC(C)NCCI c7099127709895f04c1fef234e4880fe [0,0,1,0,0,0|2,0,0]=3 34 B11R0.5 CCOC(=O)CC(C)NCCO 1453c991baad81c273a21311d74437b4 [0,0,1,0,0,0|1,0,0]=2 35 B11R0.5 CCOC(=O)CC(C)NCCS bff70fab463d98607dba2b2828d03fd4 [0,0,1,0,0,0|1,1,0]=3 36 B11R0.5 CCOC(=O)CC(C)NCOC 8595dbb9f364262768a8c4b29edb1a75 [0,0,1,0,0,0|3,0,0]=4 37 B11R0.5 CCOC(=O)CC(C)NCSC 36bab76a8c452acd08a95d7e24f52884 [0,0,1,0,0,0|3,0,0]=4 38 B11R0.5 CCOC(=O)CC(C)OCC#N 6fae8858397693203059319802d3e8cf [0,0,1,0,0,0|1,0,1]=3 39 B11R0.5 CCOC(=O)CC(C)OCC=O 30e86361d18d89db84ce66e815282c3f [0,0,1,0,0,0|0,0,2]=3 40 B11R0.5 CCOC(=O)CC(C)OCCF e99b133b6e84da7c9b49ce946a7ad8a4 [0,0,1,0,0,0|1,0,0]=2 41 B11R0.5 CCOC(=O)CC(C)OCCS 6270366bcec9500188f593efcd5a7901 [0,0,1,0,0,0|0,1,0]=2 42 B11R0.5 CCOC(=O)CC(C)OCSC 417e447c88161bcb128afd3256308862 [0,0,1,0,0,0|2,0,0]=3 43 B11R0.5 CCOC(=O)CN(C)CCCO d79e74f78ebed6a566c4fc6e1162fd74 [0,0,1,0,0,0|2,0,0]=3 44 B11R0.5 CCOC(=O)C[C@@H](C)OCC#N 9ce0e89326d4e25be77ac2c29c5b93b5 [0,0,1,0,0,0|1,0,1]=3 45 B11R0.5 CCOC(=O)C[C@@H](C)OCC=O 6859eb5ff1d1ab1d242a06143636bba0 [0,0,1,0,0,0|0,0,2]=3 46 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7ca6d53afc408279e83a5997e50714c2 [0,0,1,0,0,0|1,0,0]=2 47 B11R0.5 CCOC(=O)C[C@@H](C)OCCS 2bb20a29aa9dd019acdd7dc012ee7f97 [0,0,1,0,0,0|0,1,0]=2 48 B11R0.5 CCOC(=O)C[C@@H](C)OCSC 161f3906fa0dc692d9a3788f46152823 [0,0,1,0,0,0|2,0,0]=3 49 B11R0.5 CCOC(=O)C[C@H](C)OCC#N a4f0a3dd411fc5360dd0a7e15cf923a5 [0,0,1,0,0,0|1,0,1]=3 50 B11R0.5 CCOC(=O)C[C@H](C)OCC=O f0c5a2e83e5d82f33273243d10c3d008 [0,0,1,0,0,0|0,0,2]=3 51 B11R0.5 CCOC(=O)C[C@H](C)OCCF 60e98bc7e7a0c9330344f3f6797ea799 [0,0,1,0,0,0|1,0,0]=2 52 B11R0.5 CCOC(=O)C[C@H](C)OCCS 9815cb7a149f02d77b3ed7d4728ea339 [0,0,1,0,0,0|0,1,0]=2 53 B11R0.5 CCOC(=O)C[C@H](C)OCSC 906d6180c1a249e5a7e937bd75cbd91a [0,0,1,0,0,0|2,0,0]=3 54 B11R0.5 CCOC(=O)OC(C)NCCBr 780d2a084cfdfbe63f7ea4c1c6e75056 [0,0,1,0,0,0|3,0,0]=4 55 B11R0.5 CCOC(=O)OC(C)NCCF 12a9208359bdce1b7bd2382f4e829765 [0,0,1,0,0,0|3,0,0]=4 56 B11R0.5 CCOC(=O)OC(C)NCCI 087a16277dbf724bb2931c84b3b2c95e [0,0,1,0,0,0|3,0,0]=4 57 B11R0.5 CCOC(=O)OC(C)NCCO d0d09e4afb9906990efaa583d7a323fb [0,0,1,0,0,0|2,0,0]=3 58 B11R0.5 CCOC(=O)OC(C)NCCS 6aa0b840cf0929bab3333635a6b4e603 [0,0,1,0,0,0|2,1,0]=4 59 B11R0.5 CCOC(=O)OC(C)OCC#N 37d917f8ad0a2c917c77287a771c60c8 [0,0,1,0,0,0|2,0,1]=4 60 B11R0.5 CCOC(=O)OC(C)OCCS f3596f189ab14257e6ab294cded45960 [0,0,1,0,0,0|1,1,0]=3 61 B11R0.5 CCOC(=O)OC(C)OCOC 0da8ee90a86ad1943b3e6683041ffb7d [0,0,1,0,0,0|3,0,0]=4 62 B11R0.353 CCNC(C)(C)CC(=O)OCC 627f08b063fabf0b3677c34c7253b165 [0,0,1,0,0,0|2,0,0]=3 63 B11R0.353 CCOC(=O)CC(C)(C)NCF 0b5a96e7ebf34608b3b3527ad97c5a29 [0,0,1,0,0,0|3,0,0]=4 64 B11R0.353 CCOC(=O)CC(C)(C)NCO 245bc4ebd0ff8bbb41cb06da0a24add5 [0,0,1,0,0,0|3,0,0]=4 65 B11R0.354 CCCN(C)CC(C)(OC)OC 0893a6c1a96408d9cecd034f862de75c [0,0,1,0,0,0|3,0,0]=4 66 B11R1.840 CCCC(=O)NC1(CCC1)C 5182384eb01a5ae6f472ddbca8f11f05 [0,0,0,0,1,0|3,0,0]=4 67 B13R1.1483 C/C=C/C(=O)NCC1(CCCO1)C a5d09b38339680565c03521a3dd1b148 [0,0,0,0,0,1|2,0,1]=4 68 B13R1.1483 CC#CC(=O)NCC1(CCCO1)C 935a4f2e89224270a7a47af549d2a738 [0,0,0,0,0,1|2,0,1]=4 69 B13R1.1483 CC1(CCCO1)CNC(=O)CCF 41c614eca476fb71f9daae0f95fb3330 [0,0,0,0,0,1|3,0,0]=4 70 B13R1.1483 CC1(CCCO1)CNC(=O)CCO 7e4ac2c977fc28acc925b78e2ad346b6 [0,0,0,0,0,1|3,0,0]=4 71 B13R1.1483 CC1(CCCO1)CNC(=O)CCS 1922c4dae6639c959972de4c4da66d6e [0,0,0,0,0,1|3,0,0]=4 72 B13R1.1483 CCCC(=O)CNC1(CCCC1)C 1c9eb94d72d5f6b08bdbb4b846f2c0aa [0,0,0,0,0,1|3,0,0]=4 73 B13R1.1483 CCCC(=O)NCC1(CCCC1)C 864de174b8ccabbaf26aa5cc9799af55 [0,0,0,0,0,1|3,0,0]=4 74 B13R1.1483 CCCC(=O)NCC1(CCCO1)C f7b97b0f8c6235ac8d844855a6a3eaa4 [0,0,0,0,0,1|2,0,0]=3 75 B13R1.1483 CCNC(=O)CNC1(CCCC1)C 0ac5d9f543d494b11e4b195c52690bf2 [0,0,0,0,0,1|3,0,0]=4 76 B13R1.1483 CCOC(=O)CNC1(CCCC1)C fda0430a36c7bc8d7de04a8c5b4f61c5 [0,0,0,0,0,1|2,0,0]=3 77 B13R1.1483 CCOC(=O)CNC1(CCOC1)C 28f64e7cd1bd757f42679a3367c61ff3 [0,0,0,0,0,1|3,0,0]=4 78 B13R1.1483 COCC(=O)NCC1(CCCO1)C 3d00e08a4e89da1a7c907b23196f1d76 [0,0,0,0,0,1|3,0,0]=4 79 B13R1.1483 CSCC(=O)NCC1(CCCO1)C 6e4a530d3ce095d2fa1f7de71d2f833a [0,0,0,0,0,1|3,0,0]=4 80 B13R1.2570 CCCN(C)CC1(COCCO1)C 9301488547b246efeefaaa574bc7428c [0,0,0,0,0,1|3,0,0]=4 81 B10R0.1 C#CCOCCC(=O)OCC 9c4ab5e11e2962f2970d8dc88491ff59 [1,0,1,0,0,0|1,0,1]=4 82 B10R0.1 C=CCOCCC(=O)OCC 3ac4b62ca23069a0ea5e50f1a30c29b0 [1,0,1,0,0,0|1,0,1]=4 83 B10R0.1 CCCNCCC(=O)OCC a5eca5b369834181d5c681e73bc5df58 [1,0,1,0,0,0|2,0,0]=4 84 B10R0.1 CCCOCCC(=O)NCC 716a0638bd662663b8cdb9317f882e86 [1,0,1,0,0,0|2,0,0]=4 85 B10R0.1 CCCOCCC(=O)OCC 7807b520106a1db433af53f99cc9cebe [1,0,1,0,0,0|1,0,0]=3 86 B10R0.1 CCCOCOC(=O)OCC 00ffc636bc87edde518c508ef349454a [1,0,1,0,0,0|2,0,0]=4 87 B10R0.1 CCNC(=O)CCNCCO 95ddb3d67ac0bdfce705a73f9d453a8e [1,0,1,0,0,0|2,0,0]=4 88 B10R0.1 CCNC(=O)CCOCCF 7addcb151c86a7c713faa772efeaa04d [1,0,1,0,0,0|2,0,0]=4 89 B10R0.1 CCNC(=O)CCOCCS 0808f4844e9a005d537d9ac8fa1c8dfc [1,0,1,0,0,0|1,1,0]=4 90 B10R0.1 CCOC(=O)CCCNCO 6ad8e394886b5bbcf235085ec2778bb5 [1,0,1,0,0,0|2,0,0]=4 91 B10R0.1 CCOC(=O)CCNCCBr dc62d6e6989f38d8a1c9086df109dd58 [1,0,1,0,0,0|2,0,0]=4 92 B10R0.1 CCOC(=O)CCNCCF a126fe35bf21d7af24142127a9d7b487 [1,0,1,0,0,0|2,0,0]=4 93 B10R0.1 CCOC(=O)CCNCCI ebee6740df89e11a56f6ab71aafb9dee [1,0,1,0,0,0|2,0,0]=4 94 B10R0.1 CCOC(=O)CCNCCO c103a6e0970c0aff3c29210fe93324f0 [1,0,1,0,0,0|1,0,0]=3 95 B10R0.1 CCOC(=O)CCNCCS aec7d2f9c68c53cea47927e128d7b562 [1,0,1,0,0,0|1,1,0]=4 96 B10R0.1 CCOC(=O)CCOCC#N c3ec52627dbb213144b8c8f498da6529 [1,0,1,0,0,0|1,0,1]=4 97 B10R0.1 CCOC(=O)CCOCC=O 6d15dd620e80b8f0e6d73840ed17e4b9 [1,0,1,0,0,0|0,0,2]=4 98 B10R0.1 CCOC(=O)CCOCCF 925e99a249fc8f5a48f8ddf51d1e6a35 [1,0,1,0,0,0|1,0,0]=3 99 B10R0.1 CCOC(=O)CCOCCS c7efa8542dc4c5340c321502afe56ef8 [1,0,1,0,0,0|0,1,0]=3 100 B10R0.1 CCOC(=O)CCOCOC e943a6c684e4e08ca5cc5bedbbbf4d1e [1,0,1,0,0,0|2,0,0]=4 101 B10R0.1 CCOC(=O)CCOCSC 688997c505935e69c875e06b92c7ccc8 [1,0,1,0,0,0|2,0,0]=4 102 B10R0.1 CCOC(=O)CNCCCO e6ca78830304e337859e0c6e5fd7adb3 [1,0,1,0,0,0|2,0,0]=4 103 B10R0.1 CCOC(=O)OCNCCO 41ff48df0b0b1bb9ae91f5c7f14f3eb2 [1,0,1,0,0,0|2,0,0]=4 104 B10R0.1 CCOC(=O)OCOCCS 837640ad7e95b1ea09b0e9bd60b58cce [1,0,1,0,0,0|1,1,0]=4 105 B10R0.2 CCCC(=O)CN(C)CCO 81b8fff8b10e42c28336d0547302e36f [1,0,1,0,0,0|2,0,0]=4 106 B10R0.2 CCCC(=O)NC(C)CCO 5919b60c107cc1ebaf9d386a0f33a7c3 [1,0,1,0,0,0|2,0,0]=4 107 B10R0.2 CCCC(=O)N[C@@H](C)CCO 932b928501cefed5a897b0c541a84c74 [1,0,1,0,0,0|2,0,0]=4 108 B10R0.2 CCCC(=O)N[C@H](C)CCO 194b81205d9e7b862e31fe13833f72fe [1,0,1,0,0,0|2,0,0]=4 109 B10R0.2 CCCN(C)CC(=O)OCC 6d6f653dbba79c33476d433e8e3e5947 [1,0,1,0,0,0|2,0,0]=4 110 B10R0.2 CCNC(=O)CN(C)CCO ef5441d225e13d527019a40a975ba4b8 [1,0,1,0,0,0|2,0,0]=4 111 B10R0.2 CCNC(C)CC(=O)OCC 7705f9df12f8bf9df9877f6b146d95df [1,0,1,0,0,0|1,0,0]=3 112 B10R0.2 CCOC(=O)CC(C)NCF d86d3e1f98189aed0cc0431093a5cacd [1,0,1,0,0,0|2,0,0]=4 113 B10R0.2 CCOC(=O)CC(C)NCO 738f16f031645e7baba1b65ac213bee4 [1,0,1,0,0,0|1,0,0]=3 114 B10R0.2 CCOC(=O)CC(C)OCC e868558c556c7c64bd1a79763f1f0c41 [1,0,1,0,0,0|0,0,0]=2 115 B10R0.2 CCOC(=O)CC(C)OCF 50c18b03d6a75aca0ef8169c579ff6ad [1,0,1,0,0,0|1,0,0]=3 116 B10R0.2 CCOC(=O)CN(C)CCF dedc6219d8ea8c13957a6fda7b422ec2 [1,0,1,0,0,0|2,0,0]=4 117 B10R0.2 CCOC(=O)CN(C)CCO 7843d8f9d23c61dd461bddc1275723ac [1,0,1,0,0,0|1,0,0]=3 118 B10R0.2 CCOC(=O)C[C@@H](C)OCC 658a64fd32faf34a2272bfe8b1820efa [1,0,1,0,0,0|0,0,0]=2 119 B10R0.2 CCOC(=O)C[C@@H](C)OCF b5e302860c4001cace47e2577b895faf [1,0,1,0,0,0|1,0,0]=3 120 B10R0.2 CCOC(=O)C[C@H](C)OCC 935bdffa769b2a9ffd1e721b074907b4 [1,0,1,0,0,0|0,0,0]=2 121 B10R0.2 CCOC(=O)C[C@H](C)OCF 97dd5d59b070decff3526ceccb9afaf9 [1,0,1,0,0,0|1,0,0]=3 122 B10R0.18 C#CCOC(C)CC(=O)OC 27e6a1ff231dddbf88d1b60ff7f68997 [1,0,1,0,0,0|1,0,1]=4 123 B10R0.18 C#CCO[C@@H](C)CC(=O)OC 7830bebeb2827a8c25ce6b4523c9d3d1 [1,0,1,0,0,0|1,0,1]=4 124 B10R0.18 C#CCO[C@H](C)CC(=O)OC 013eff5d4b33bf4636bedf0d4ab07ed3 [1,0,1,0,0,0|1,0,1]=4 125 B10R0.18 C=CCOC(C)CC(=O)OC 4d964ab96219df4ce596bc9e9ac3fdb5 [1,0,1,0,0,0|1,0,1]=4 126 B10R0.18 C=CCO[C@@H](C)CC(=O)OC 9fb93b2e05b79257454eb52ef8e98a3f [1,0,1,0,0,0|1,0,1]=4 127 B10R0.18 C=CCO[C@H](C)CC(=O)OC 13a096fc4c1a52b1b06728a871bf590e [1,0,1,0,0,0|1,0,1]=4 128 B10R0.18 CCC(=O)CN(C)CCCO 9b3db0c8754e69ab9378fb334d21f39d [1,0,1,0,0,0|2,0,0]=4 129 B10R0.18 CCC(=O)NC(C)CCCO 464faf75b25f02132e600baf298aea6b [1,0,1,0,0,0|2,0,0]=4 130 B10R0.18 CCC(=O)N[C@H](C)CCCO 453339b8b8cd7af50b659483cd705a4b [1,0,1,0,0,0|2,0,0]=4 131 B10R0.18 CCCNC(C)CC(=O)OC 8629e763e731be2b661c9fc1ff4de96f [1,0,1,0,0,0|2,0,0]=4 132 B10R0.18 CCCN[C@@H](C)CC(=O)OC 5bf1690b04b3521c950c1fbf44cefd6c [1,0,1,0,0,0|2,0,0]=4 133 B10R0.18 CCCN[C@H](C)CC(=O)OC bd5188d0166e576d649d759abfa4b15b [1,0,1,0,0,0|2,0,0]=4 134 B10R0.18 CCCOC(C)CC(=O)OC 4c7a296acf288421f617d4d8a0cd7df6 [1,0,1,0,0,0|1,0,0]=3 135 B10R0.18 CCCOC(C)OC(=O)OC b66533963ffb3c85b643ed7b042b2c1e [1,0,1,0,0,0|2,0,0]=4 136 B10R0.18 CCCO[C@@H](C)CC(=O)OC 8afc1c7b22eab894cb92fe3e6d261c5c [1,0,1,0,0,0|1,0,0]=3 137 B10R0.18 CCCO[C@H](C)CC(=O)OC 83c134dc5647937bbbb2df2af16dacbd [1,0,1,0,0,0|1,0,0]=3 138 B10R0.18 COC(=O)CC(C)NCCBr f6f0c2baae65ed8018aff7843bd7918f [1,0,1,0,0,0|2,0,0]=4 139 B10R0.18 COC(=O)CC(C)NCCF 1becc3416a17a58d98edfbbaa739aaf1 [1,0,1,0,0,0|2,0,0]=4 140 B10R0.18 COC(=O)CC(C)NCCI 42f8238db437beada7160763937dea0c [1,0,1,0,0,0|2,0,0]=4 141 B10R0.18 COC(=O)CC(C)NCCO 44cda2967e70373f892410965d3b99a8 [1,0,1,0,0,0|1,0,0]=3 142 B10R0.18 COC(=O)CC(C)NCCS b1a6cfebbd0fe8ba1e962dd3b541a80f [1,0,1,0,0,0|1,1,0]=4 143 B10R0.18 COC(=O)CC(C)OCC#N ec4d96b23f337dabcb85daee1eab4c8d [1,0,1,0,0,0|1,0,1]=4 144 B10R0.18 COC(=O)CC(C)OCC=O 308d0121d3ffcf0f7af43fdce4a4dcdb [1,0,1,0,0,0|0,0,2]=4 145 B10R0.18 COC(=O)CC(C)OCCF eeefe41fd82b2aa5ec2cf65919b5b397 [1,0,1,0,0,0|1,0,0]=3 146 B10R0.18 COC(=O)CC(C)OCCS 027113ab472a70ba362b5326767adc32 [1,0,1,0,0,0|0,1,0]=3 147 B10R0.18 COC(=O)CC(C)OCSC 5018d576511599630996c433e73c3be0 [1,0,1,0,0,0|2,0,0]=4 148 B10R0.18 COC(=O)CN(C)CCCO 91be88b537908a10a557b6310107f88a [1,0,1,0,0,0|2,0,0]=4 149 B10R0.18 COC(=O)C[C@@H](C)NCCF 3537b0c52bd941e87b6aa1a05d44d178 [1,0,1,0,0,0|2,0,0]=4 150 B10R0.18 COC(=O)C[C@@H](C)NCCO d2182442783cecf61d77ecc6f171f64c [1,0,1,0,0,0|1,0,0]=3 151 B10R0.18 COC(=O)C[C@@H](C)NCCS 118bb34b94ecb7edb859f3d6c99bbe96 [1,0,1,0,0,0|1,1,0]=4 152 B10R0.18 COC(=O)C[C@@H](C)OCC#N d1a04e97459c3f5e7f1e293f6ba0eb2c [1,0,1,0,0,0|1,0,1]=4 153 B10R0.18 COC(=O)C[C@@H](C)OCC=O af85461b82bc733d896734ea4429aae2 [1,0,1,0,0,0|0,0,2]=4 154 B10R0.18 COC(=O)C[C@@H](C)OCCF 2b03d3a88f5aa28cb8cbcfa3591945a2 [1,0,1,0,0,0|1,0,0]=3 155 B10R0.18 COC(=O)C[C@@H](C)OCCS ec62329d791f3dd087bc62e04d3779e1 [1,0,1,0,0,0|0,1,0]=3 156 B10R0.18 COC(=O)C[C@@H](C)OCSC a17a37ec6dba22de5d256a99dff083c5 [1,0,1,0,0,0|2,0,0]=4 157 B10R0.18 COC(=O)C[C@H](C)NCCBr 232d6feed766bac6d071416ecda90867 [1,0,1,0,0,0|2,0,0]=4 158 B10R0.18 COC(=O)C[C@H](C)NCCF c8e081f6fbd5476dd4d655710a31867c [1,0,1,0,0,0|2,0,0]=4 159 B10R0.18 COC(=O)C[C@H](C)NCCI 8588a5278cb62219c9fadeb8c1ed3654 [1,0,1,0,0,0|2,0,0]=4 160 B10R0.18 COC(=O)C[C@H](C)NCCO 627c03d2b16ba4f23a5d0638ca0720a1 [1,0,1,0,0,0|1,0,0]=3 161 B10R0.18 COC(=O)C[C@H](C)NCCS 8b6be8824e9c57a9977f275207009556 [1,0,1,0,0,0|1,1,0]=4 162 B10R0.18 COC(=O)C[C@H](C)OCC#N f28b72c0cd77472b659d77e1701092f7 [1,0,1,0,0,0|1,0,1]=4 163 B10R0.18 COC(=O)C[C@H](C)OCC=O ea8d1b89ddd1bd20edb71a1c64786631 [1,0,1,0,0,0|0,0,2]=4 164 B10R0.18 COC(=O)C[C@H](C)OCCF 396c47264567dea1c824d263c14fd791 [1,0,1,0,0,0|1,0,0]=3 165 B10R0.18 COC(=O)C[C@H](C)OCCS 10be14454bd2c8df1634f22a5cd69ee1 [1,0,1,0,0,0|0,1,0]=3 166 B10R0.18 COC(=O)C[C@H](C)OCSC 907af620fdcb76552de31c0368411809 [1,0,1,0,0,0|2,0,0]=4 167 B10R0.18 COC(=O)OC(C)NCCO be0d28e358d213732600de2be42c3b48 [1,0,1,0,0,0|2,0,0]=4 168 B10R0.18 COC(=O)OC(C)OCCS 76b759ad0a393a747d02c9e12ce1a4d5 [1,0,1,0,0,0|1,1,0]=4 169 B10R0.148 CCNC(C)(C)CC(=O)OC 82b1f935d380a2d836bf23ea73a4d5c2 [1,0,1,0,0,0|2,0,0]=4 170 B10R0.34 CCOC(C)CC(OC)OC 2923d16d5274bdea7b75a33ec8b7296f [1,0,1,0,0,0|1,0,1]=4 171 B10R0.134 CCN(C)CC(C)(OC)OC af2d4fef7ed5a27c98d1c9c5eaaee62b [1,0,1,0,0,0|2,0,0]=4 172 B10R0.157 CCCNCC(C)(OC)OC 551084ea8c64f2a90fdde5643acc7b66 [1,0,1,0,0,0|2,0,0]=4 173 B10R0.157 CCCOCC(C)(OC)OC e57650190dacdb38a1c0c9376715dde7 [1,0,1,0,0,0|2,0,0]=4 174 B10R1.21 CCOCCC1CCCO1 259f96ba320a3b49deb223b863f40fa3 [2,0,0,0,0,0|1,0,1]=4 175 B10R1.216 CC1(CCCO1)COCF a84aa41f12f0d4841fbdacc886b46b85 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.216 CCNCC1(CCCO1)C 61f95c0a738351afdd8dd77d86174ee6 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.216 CCOCC1(CCCC1)C 16c9bb2dffb5488653c960208262ab9f [2,0,0,0,0,0|2,0,0]=4 178 B10R1.216 CCOCC1(CCCO1)C 7e828391e06376f9a34c029a5aeaa26a [2,0,0,0,0,0|1,0,0]=3 179 B12R0.2 CC(C)OC(=O)CN(C)CCCO 095a550499efe036c2c064ebe3c07fb0 [0,1,1,0,0,0|2,0,0]=4 180 B12R0.2 CC(C)OC(=O)OC(C)NCCO e88faa4d7c2f41656b5e98d6aae1a356 [0,1,1,0,0,0|2,0,0]=4 181 B12R0.2 CC(C)OC(=O)OC(C)OCCS 7f7c3eff164f245879c652823e8c794a [0,1,1,0,0,0|1,1,0]=4 182 B12R0.2 CCCOC(C)OC(=O)OC(C)C 1e6abad5b83215fa098349ed48f839d4 [0,1,1,0,0,0|2,0,0]=4 183 B12R0.68 C=CC(C)OC(C)CC(=O)OCC 340e548525ea3e8f57deccf5c4ff4699 [0,1,1,0,0,0|1,0,1]=4 184 B12R0.68 C=CC(C)O[C@@H](C)CC(=O)OCC 787b348a00fc9fadbf698e2f860f0de5 [0,1,1,0,0,0|1,0,1]=4 185 B12R0.68 C=CC(C)O[C@H](C)CC(=O)OCC 075c2eae2b3c76cdb735e414d38ba8ef [0,1,1,0,0,0|1,0,1]=4 186 B12R0.68 C=C[C@H](C)OC(C)CC(=O)OCC f6fb48ec6ab339e65907e1e33dfdef3b [0,1,1,0,0,0|1,0,1]=4 187 B12R0.68 CCOC(=O)CC(C)NC(=O)CO 8414cdc13f843a82188f21206abad0e2 [0,1,1,0,0,0|1,0,1]=4 188 B12R0.68 CCOC(=O)CC(C)NC(C)CC beb31f1ef8ac1f834a2ae99a686f8ade [0,1,1,0,0,0|2,0,0]=4 189 B12R0.68 CCOC(=O)CC(C)NC(C)CO e2afd843eaea8b5392bc37b257c58e88 [0,1,1,0,0,0|1,0,0]=3 190 B12R0.68 CCOC(=O)CC(C)N[C@@H](C)CC bd2ae05149f17265ea741031598028a6 [0,1,1,0,0,0|2,0,0]=4 191 B12R0.68 CCOC(=O)CC(C)N[C@@H](C)CO 1b5f69b071f741ca8778cac2f5327aba [0,1,1,0,0,0|1,0,0]=3 192 B12R0.68 CCOC(=O)CC(C)N[C@H](C)CC 73ad4dbded4f18d634c3ee0355ff8df4 [0,1,1,0,0,0|2,0,0]=4 193 B12R0.68 CCOC(=O)CC(C)N[C@H](C)CO 3082428ee8a3f74dee95b9172ef83d0a [0,1,1,0,0,0|1,0,0]=3 194 B12R0.68 CCOC(=O)CC(C)OC(C)C=O 19d6281568a564901daf3f557ef9de57 [0,1,1,0,0,0|0,0,2]=4 195 B12R0.68 CCOC(=O)CC(C)OC(C)CC fa16178efaf824cd1b2bc7cc08ad7007 [0,1,1,0,0,0|1,0,0]=3 196 B12R0.68 CCOC(=O)CC(C)O[C@@H](C)CC 37c8d700410d5bb74738a8d332fb25bd [0,1,1,0,0,0|1,0,0]=3 197 B12R0.68 CCOC(=O)CC(C)O[C@H](C)C=O 4010496e1d27a05c090057f689dc98a7 [0,1,1,0,0,0|0,0,2]=4 198 B12R0.68 CCOC(=O)CC(C)O[C@H](C)CC 39de54e6f50f2a1eebcc12726f22db7a [0,1,1,0,0,0|1,0,0]=3 199 B12R0.68 CCOC(=O)CN(C)CC(C)CO f1fd7ace7b8fc0bb94b5a90d992c6292 [0,1,1,0,0,0|2,0,0]=4 200 B12R0.68 CCOC(=O)CN(C)CC(O)CO 1f71d05b5e2476909c5d46e866166155 [0,1,1,0,0,0|2,0,0]=4 201 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)C=O f8608352542fbe1df45bd6dda766d9c1 [0,1,1,0,0,0|0,0,2]=4 202 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)CC eb692d3f890e64e8a30870afe76bcb2a [0,1,1,0,0,0|1,0,0]=3 203 B12R0.68 CCOC(=O)C[C@@H](C)O[C@H](C)C=O 99791a2ccc64ffd782a1907af3cbd460 [0,1,1,0,0,0|0,0,2]=4 204 B12R0.68 CCOC(=O)C[C@H](C)OC(C)C=O 38a25def10dd84d6c03c6680d8ba9f48 [0,1,1,0,0,0|0,0,2]=4 205 B12R0.68 CCOC(=O)C[C@H](C)OC(C)CC fceb292e1739624975b4ff1d3e4dd1e9 [0,1,1,0,0,0|1,0,0]=3 206 B12R0.68 CCOC(=O)C[C@H](C)O[C@H](C)C=O cc472e57255794c0141dd1708aa1ac40 [0,1,1,0,0,0|0,0,2]=4 207 B12R0.68 CCOC(=O)OC(C)NC(C)CO aabb0fe0fd9f5895f4d2699fe2eadc26 [0,1,1,0,0,0|2,0,0]=4 208 B12R0.68 CCOC(=O)OC(C)N[C@@H](C)CO 7cef501ef2f4c8fdd56e1e8089275457 [0,1,1,0,0,0|2,0,0]=4 209 B12R0.68 CCOC(=O)OC(C)N[C@H](C)CO f3f73bdf13a0d65a58188b0bfaf908d1 [0,1,1,0,0,0|2,0,0]=4 210 B12R0.68 CCOC(=O)OC(C)OC(C)CC 98c3a27ebf2b43a8575c2fdc32f235f3 [0,1,1,0,0,0|2,0,0]=4 211 B12R0.68 CCOC(=O)OC(C)OC(C)CF 21514ea1c1db01b9403c3474d562c929 [0,1,1,0,0,0|2,0,0]=4 212 B12R0.68 CCOC(=O)OC(C)OC(C)CS 6558d98ebde65d14026faeb69218bbc5 [0,1,1,0,0,0|1,1,0]=4 213 B12R0.68 CCOC(=O)OC(C)O[C@@H](C)CC e4fc105602d87ed9f951f9e0dbed35bf [0,1,1,0,0,0|2,0,0]=4 214 B12R0.68 CCOC(=O)OC(C)O[C@H](C)CC 260c918cb963b05a58f13fe03ae886dd [0,1,1,0,0,0|2,0,0]=4 215 B12R0.68 CCOC(=O)OC(C)O[C@H](C)CS 854fb46c98e8c5ec9a11b3a4db35b69f [0,1,1,0,0,0|1,1,0]=4 216 B12R0.69 CCCN(C)C(C)CC(=O)OCC 59baba789c45929633c8880b57613df4 [0,1,1,0,0,0|2,0,0]=4 217 B12R0.69 CCOC(=O)CC(C)N(C)CCF 84901fd3dde47177804ef35164211acf [0,1,1,0,0,0|2,0,0]=4 218 B12R0.69 CCOC(=O)CC(C)N(C)CCO a79ecf39a028ba168419b09f7f41844d [0,1,1,0,0,0|1,0,0]=3 219 B12R0.69 CCOC(=O)CC(C)N(C)CCS b8711f568fec3ab2fa8eb9d92b6a9e99 [0,1,1,0,0,0|1,1,0]=4 220 B12R0.69 CCOC(=O)CN(C)C(C)CCO a106beb0f6625aa0b561d598ef3e856d [0,1,1,0,0,0|2,0,0]=4 221 B12R0.69 CCOC(=O)CN(C)[C@@H](C)CCO b867df5aa96886c83a8d2cb8667955d2 [0,1,1,0,0,0|2,0,0]=4 222 B12R0.69 CCOC(=O)OC(C)N(C)CCO 3b2d36a69330a1c725c03cd49e14f155 [0,1,1,0,0,0|2,0,0]=4 223 B12R0.103 CCCOC(=O)CN(C)CCCO e2dcdef237fa7d4c5f328ebef739cf31 [0,1,1,0,0,0|2,0,0]=4 224 B12R0.103 CCOCC(=O)NC(C)CCCO 028ef4ea712a108dddd0725f60e09029 [0,1,1,0,0,0|2,0,0]=4 225 B12R0.103 CCOCC(=O)N[C@H](C)CCCO da79cae26f3dfb48e89b62cf0a0e2fe4 [0,1,1,0,0,0|2,0,0]=4 226 B12R0.239 C#CCCNC(C)CC(=O)OCC 068bcbe980cd697a748f64f793ce4606 [0,1,1,0,0,0|2,0,0]=4 227 B12R0.239 C#CCCOC(C)CC(=O)OCC f08417cb13c23badb1879ab90746f74e [0,1,1,0,0,0|1,0,0]=3 228 B12R0.239 C#CCCOC(C)OC(=O)OCC df7880d6de04eb97ce75c28a9a8f5926 [0,1,1,0,0,0|2,0,0]=4 229 B12R0.239 C#CCCO[C@@H](C)CC(=O)OCC 693856462852f44fcc7a8d06e14239b7 [0,1,1,0,0,0|1,0,0]=3 230 B12R0.239 C#CCCO[C@H](C)CC(=O)OCC 5db3c9e5563708a647c2ac033ebb4a56 [0,1,1,0,0,0|1,0,0]=3 231 B12R0.239 C/C=C/COC(C)CC(=O)OCC 45fd16f2acfe01564f483e684acd1abb [0,1,1,0,0,0|1,0,1]=4 232 B12R0.239 C/C=C/CO[C@@H](C)CC(=O)OCC dc62bf0680c073e108c819c76814af19 [0,1,1,0,0,0|1,0,1]=4 233 B12R0.239 C/C=C/CO[C@H](C)CC(=O)OCC 48b95a70d24baf164f70d326c32b02fa [0,1,1,0,0,0|1,0,1]=4 234 B12R0.239 C/C=C\COC(C)CC(=O)OCC 460b2739ee00136a5dd86f5ec162c796 [0,1,1,0,0,0|1,0,1]=4 235 B12R0.239 C/C=C\CO[C@@H](C)CC(=O)OCC 481a794dd7844eb96847113c92e1306f [0,1,1,0,0,0|1,0,1]=4 236 B12R0.239 C/C=C\CO[C@H](C)CC(=O)OCC a7032e23577ae8186481e59ed70da84a [0,1,1,0,0,0|1,0,1]=4 237 B12R0.239 C=CCCNC(C)CC(=O)OCC 418603a4f66b43d4ae2f8c6c5e57f125 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[0,1,1,0,0,0|1,0,1]=4 249 B12R0.239 CCOC(=O)CC(C)NCCC#N b08824941b90664e601c76f2bef92d73 [0,1,1,0,0,0|2,0,0]=4 250 B12R0.239 CCOC(=O)CC(C)NCCC=O f02cc4df6f5c2e81efe8b797950cbdaf [0,1,1,0,0,0|1,0,1]=4 251 B12R0.239 CCOC(=O)CC(C)NCCCCl 1e89db74b6cf7b7006de2dfc6c114f6f [0,1,1,0,0,0|2,0,0]=4 252 B12R0.239 CCOC(=O)CC(C)NCCCF 5239bea891aceda971f66c3a1a59a743 [0,1,1,0,0,0|2,0,0]=4 253 B12R0.239 CCOC(=O)CC(C)NCCCO ea2286cb7e66c5cfc20b818420fea9aa [0,1,1,0,0,0|1,0,0]=3 254 B12R0.239 CCOC(=O)CC(C)NCCCS 2990924cb12744b3ac54c706feae15a0 [0,1,1,0,0,0|1,1,0]=4 255 B12R0.239 CCOC(=O)CC(C)NCCOC 3fb761ac9c13e7c3363e70598d248c01 [0,1,1,0,0,0|1,0,0]=3 256 B12R0.239 CCOC(=O)CC(C)NCCSC 8e8281316b292a1de634b00a3278b881 [0,1,1,0,0,0|1,1,0]=4 257 B12R0.239 CCOC(=O)CC(C)OC/C=C/Cl e26921682986b16b1777d199cb52f823 [0,1,1,0,0,0|1,0,1]=4 258 B12R0.239 CCOC(=O)CC(C)OC/C=C\Cl 2c8ab99eb2caa38d1805efb5446dee13 [0,1,1,0,0,0|1,0,1]=4 259 B12R0.239 CCOC(=O)CC(C)OCCC#N d312f228128f3417bdf05ff8d7a1690e 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B12R0.239 CCOC(=O)CN(C)CCCOC 458d9ed6478132ec4cbde0b3dbde898f [0,1,1,0,0,0|2,0,0]=4 272 B12R0.239 CCOC(=O)C[C@@H](C)OC/C=C/Cl b5f54a9d3a385facef423386bd65c6d2 [0,1,1,0,0,0|1,0,1]=4 273 B12R0.239 CCOC(=O)C[C@@H](C)OC/C=C\Cl b1164457ea68fe2ef41ec13008524fe7 [0,1,1,0,0,0|1,0,1]=4 274 B12R0.239 CCOC(=O)C[C@@H](C)OCCC#N 27498f2ee8987bacd57f71138454c9d3 [0,1,1,0,0,0|1,0,0]=3 275 B12R0.239 CCOC(=O)C[C@@H](C)OCCC=O 86155c917ba290b7993b6e86fa520023 [0,1,1,0,0,0|0,0,1]=3 276 B12R0.239 CCOC(=O)C[C@@H](C)OCCCF 255dd37a4121a7216ca82636acf1695c [0,1,1,0,0,0|1,0,0]=3 277 B12R0.239 CCOC(=O)C[C@@H](C)OCCCS 6297aab432c1218dc70a619fa3b35921 [0,1,1,0,0,0|0,1,0]=3 278 B12R0.239 CCOC(=O)C[C@@H](C)OCCOC 35db88ce655fb7ffa0d1428ced214b43 [0,1,1,0,0,0|0,0,0]=2 279 B12R0.239 CCOC(=O)C[C@@H](C)OCCSC e50c58972b2612ac6c8f463b9eb28bbd [0,1,1,0,0,0|0,1,0]=3 280 B12R0.239 CCOC(=O)C[C@@H](C)OCSC#N fdbbe1bb8e3e8a704b0bcd90c8b15e79 [0,1,1,0,0,0|1,0,1]=4 281 B12R0.239 CCOC(=O)C[C@@H](O)CNCCO 788d9cddfec7bb4f65b69bf65b971eb1 [0,1,1,0,0,0|2,0,0]=4 282 B12R0.239 CCOC(=O)C[C@H](C)OC/C=C/Cl 7e8cc95068c9d712889f1bbe8f4a9334 [0,1,1,0,0,0|1,0,1]=4 283 B12R0.239 CCOC(=O)C[C@H](C)OC/C=C\Cl f50d5f4f55c9041d73973e96f3408e2c [0,1,1,0,0,0|1,0,1]=4 284 B12R0.239 CCOC(=O)C[C@H](C)OCCC#N ca0298eed868bfa36f511aacbe46ca45 [0,1,1,0,0,0|1,0,0]=3 285 B12R0.239 CCOC(=O)C[C@H](C)OCCC=O 91dcac78126325a62931d2002b276d10 [0,1,1,0,0,0|0,0,1]=3 286 B12R0.239 CCOC(=O)C[C@H](C)OCCCF e36ad058902245d18d24dc28d0aa2953 [0,1,1,0,0,0|1,0,0]=3 287 B12R0.239 CCOC(=O)C[C@H](C)OCCCS dcc45815e57db8f91585ec953c1a1a7a [0,1,1,0,0,0|0,1,0]=3 288 B12R0.239 CCOC(=O)C[C@H](C)OCCOC e410e35656041a925007e8da97a3ba1d [0,1,1,0,0,0|0,0,0]=2 289 B12R0.239 CCOC(=O)C[C@H](C)OCCSC 12f5c54038ceaafc55fbbf60268e929c [0,1,1,0,0,0|0,1,0]=3 290 B12R0.239 CCOC(=O)C[C@H](C)OCSC#N 0e16368f5d65c741f07a064507862740 [0,1,1,0,0,0|1,0,1]=4 291 B12R0.239 CCOC(=O)C[C@H](O)CNCCO 52c536a2b1b83950afa67768674fe895 [0,1,1,0,0,0|2,0,0]=4 292 B12R0.239 CCOC(=O)OC(C)NCCCO b169825e38d8a37baeed068f184ac691 [0,1,1,0,0,0|2,0,0]=4 293 B12R0.239 CCOC(=O)OC(C)NCCOC 07f112f70ceebe20002ce5800db1772c [0,1,1,0,0,0|2,0,0]=4 294 B12R0.239 CCOC(=O)OC(C)NCCON 2bcfb5565e59b0102ea615fcbc5a1492 [0,1,1,0,0,0|2,0,0]=4 295 B12R0.239 CCOC(=O)OC(C)OCCC#N cdba8cb139c6d3522ed370928d1887f4 [0,1,1,0,0,0|2,0,0]=4 296 B12R0.239 CCOC(=O)OC(C)OCCC=O 6755b5dba3b359cae6a21192152c6e93 [0,1,1,0,0,0|1,0,1]=4 297 B12R0.239 CCOC(=O)OC(C)OCCCF 98be86a7fdc2b1d6c84814b15039c7ca [0,1,1,0,0,0|2,0,0]=4 298 B12R0.239 CCOC(=O)OC(C)OCCCS e998389bf81d1c62381ae2308dd8d861 [0,1,1,0,0,0|1,1,0]=4 299 B12R0.239 CCOC(=O)OC(C)OCCOC 33580c97f0ec1f30bbf2a6496c9e647d [0,1,1,0,0,0|1,0,0]=3 300 B12R0.239 CCOC(=O)OC(C)OCCSC a17a72f0909fe1eb843a01dea93b3892 [0,1,1,0,0,0|1,1,0]=4 301 B12R0.239 CCOCNC(C)CC(=O)OCC a18a93e7d42fafea3d0e09f6deae02d2 [0,1,1,0,0,0|2,0,0]=4 302 B12R0.283 C=C(Br)COC(C)CC(=O)OCC 973df73bf61f7b8faf21b0b17d9b9d70 [0,1,1,0,0,0|1,0,1]=4 303 B12R0.283 C=C(Br)CO[C@@H](C)CC(=O)OCC c34dedbc5b7ecbf07a64abecb05ca00d [0,1,1,0,0,0|1,0,1]=4 304 B12R0.283 C=C(Br)CO[C@H](C)CC(=O)OCC 3941e4ec62e29774aca1033584449ab6 [0,1,1,0,0,0|1,0,1]=4 305 B12R0.283 C=C(C)COC(C)CC(=O)OCC 19c4e5ef40fc4b353febbc0ffeec0255 [0,1,1,0,0,0|1,0,1]=4 306 B12R0.283 C=C(C)CO[C@@H](C)CC(=O)OCC 64a02dad70b78f428ee5a13810bdd462 [0,1,1,0,0,0|1,0,1]=4 307 B12R0.283 C=C(C)CO[C@H](C)CC(=O)OCC d9748b002d43b187a64cc94e58e1579d [0,1,1,0,0,0|1,0,1]=4 308 B12R0.283 C=C(Cl)COC(C)CC(=O)OCC c7098bcf155731ef170c17ccf44a9ae1 [0,1,1,0,0,0|1,0,1]=4 309 B12R0.283 C=C(Cl)CO[C@@H](C)CC(=O)OCC cb906a65ceca5178c421fd5d14a4d5d0 [0,1,1,0,0,0|1,0,1]=4 310 B12R0.283 C=C(Cl)CO[C@H](C)CC(=O)OCC ad05bd5fd2edd44ea02700ca437113e1 [0,1,1,0,0,0|1,0,1]=4 311 B12R0.283 C=C(F)COC(C)CC(=O)OCC db22f30e7f98e5f2bc42e85809c831f0 [0,1,1,0,0,0|1,0,1]=4 312 B12R0.283 C=C(F)CO[C@@H](C)CC(=O)OCC 384199aca97b1e49256c62750a070fa4 [0,1,1,0,0,0|1,0,1]=4 313 B12R0.283 C=C(F)CO[C@H](C)CC(=O)OCC fdeb6f39ef41b57ba5c39f0fae779467 [0,1,1,0,0,0|1,0,1]=4 314 B12R0.283 C=C(I)COC(C)CC(=O)OCC 40cec49e734da2a296f610f0bd561340 [0,1,1,0,0,0|1,0,1]=4 315 B12R0.283 CCOC(=O)CC(C)NCC(=O)O 571c76008a8bad0f5ef8fb11f59759fb [0,1,1,0,0,0|1,0,1]=4 316 B12R0.283 CCOC(=O)CC(C)NCC(C)C 014f214a3546077694989b79103b4c9d [0,1,1,0,0,0|2,0,0]=4 317 B12R0.283 CCOC(=O)CC(C)NCC(C)O 5c0447bc5500fa8ac29f30e8816d4e84 [0,1,1,0,0,0|1,0,0]=3 318 B12R0.283 CCOC(=O)CC(C)NCC(F)F 99c9bf44911052b03b22fc0b3cee0d06 [0,1,1,0,0,0|2,0,0]=4 319 B12R0.283 CCOC(=O)CC(C)NC[C@@H](C)O 164b17d66ccae5f5816fa2cd6fd066c3 [0,1,1,0,0,0|1,0,0]=3 320 B12R0.283 CCOC(=O)CC(C)NC[C@H](C)O d840da3ae5a0bc733e7d6a59bb9f9e25 [0,1,1,0,0,0|1,0,0]=3 321 B12R0.283 CCOC(=O)CC(C)OCC(=O)N ffb287fe20bcc28194adc358222237f6 [0,1,1,0,0,0|0,0,2]=4 322 B12R0.283 CCOC(=O)CC(C)OCC(=O)O d8942add4a4e5f755ef1c73a0aa95016 [0,1,1,0,0,0|0,0,1]=3 323 B12R0.283 CCOC(=O)CC(C)OCC(C)C 2d53705e46b8ad5eeff0ad6454b6b91c [0,1,1,0,0,0|1,0,0]=3 324 B12R0.283 CCOC(=O)CC(C)OCC(F)F 0608fcd449ded0e4da2e8e42bac46b9e [0,1,1,0,0,0|1,0,0]=3 325 B12R0.283 CCOC(=O)CC(C)OCN(C)C 1f005f8e251d069cd8b4937c7a6d6c22 [0,1,1,0,0,0|2,0,0]=4 326 B12R0.283 CCOC(=O)CC(C)OC[N+](=O)[O-] a73cdf82cb92d6642b9cc39a251feb37 [0,1,1,0,0,0|1,0,1]=4 327 B12R0.283 CCOC(=O)CN(C)CCC(C)O 601a1175e5da76e01da3436d7653bca3 [0,1,1,0,0,0|2,0,0]=4 328 B12R0.283 CCOC(=O)C[C@@H](C)OCC(=O)N a6b1553d4a6991a599dede66e6daaad0 [0,1,1,0,0,0|0,0,2]=4 329 B12R0.283 CCOC(=O)C[C@@H](C)OCC(=O)O 14510f3a80164c2772bbd8e72bd03d45 [0,1,1,0,0,0|0,0,1]=3 330 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)C ef82c51ccdeacc71118858a05269d5ae [0,1,1,0,0,0|1,0,0]=3 331 B12R0.283 CCOC(=O)C[C@@H](C)OCC(F)F 6dad46de1f74cbd09375ef45e53325e3 [0,1,1,0,0,0|1,0,0]=3 332 B12R0.283 CCOC(=O)C[C@@H](C)OCN(C)C 1f5aac75a0954400ad009672ddbb2637 [0,1,1,0,0,0|2,0,0]=4 333 B12R0.283 CCOC(=O)C[C@@H](C)OC[N+](=O)[O-] 4de64a4b3e2b327c314762228993fd6b [0,1,1,0,0,0|1,0,1]=4 334 B12R0.283 CCOC(=O)C[C@H](C)OCC(=O)N 2d87daa02c9b38c19ae40e4f01a38527 [0,1,1,0,0,0|0,0,2]=4 335 B12R0.283 CCOC(=O)C[C@H](C)OCC(=O)O 6ec25a9c0c073d2b7ed4cdc83267549c [0,1,1,0,0,0|0,0,1]=3 336 B12R0.283 CCOC(=O)C[C@H](C)OCC(C)C 22d2008b6de686ac7c19cb308fb0be42 [0,1,1,0,0,0|1,0,0]=3 337 B12R0.283 CCOC(=O)C[C@H](C)OCC(F)F 168798138746eea33a2fdb206995ef5e [0,1,1,0,0,0|1,0,0]=3 338 B12R0.283 CCOC(=O)C[C@H](C)OCN(C)C bcc9943aed1654631480c0fb79aafa40 [0,1,1,0,0,0|2,0,0]=4 339 B12R0.283 CCOC(=O)C[C@H](C)OC[N+](=O)[O-] 64f78366b36e8b3a742b6cf5b30a964f [0,1,1,0,0,0|1,0,1]=4 340 B12R0.283 CCOC(=O)OC(C)NCC(C)O ad88d09e730efdc0fa873ff0213c0e13 [0,1,1,0,0,0|2,0,0]=4 341 B12R0.283 CCOC(=O)OC(C)NC[C@@H](C)O 55a7db3ca03753083b987fa597ce6f14 [0,1,1,0,0,0|2,0,0]=4 342 B12R0.283 CCOC(=O)OC(C)NC[C@H](C)O f4db08e9bcad02dab52e6f2a477ecbf7 [0,1,1,0,0,0|2,0,0]=4 343 B12R0.283 CCOC(=O)OC(C)OCC(=O)O 0cd4821c0b589cc208789f4b7c7ee399 [0,1,1,0,0,0|1,0,1]=4 344 B12R0.283 CCOC(=O)OC(C)OCC(C)C e57d6da70a03464a872db2156ddafbd7 [0,1,1,0,0,0|2,0,0]=4 345 B12R0.283 CCOC(=O)OC(C)OCC(C)F 63092f4b63cedcf146ae4c60d068635b [0,1,1,0,0,0|2,0,0]=4 346 B12R0.283 CCOC(=O)OC(C)OCC(C)S fc7adf71a1f0764f2b573cea17c47afc [0,1,1,0,0,0|1,1,0]=4 347 B12R0.283 CCOC(=O)OC(C)OCC(F)F 8e4de88c4b93a839af028b5d4cf79ea4 [0,1,1,0,0,0|2,0,0]=4 348 B12R0.283 CCOC(=O)OC(C)OCS(=O)O e4e8e115137990c15181659a094d1f51 [0,1,1,0,0,0|2,0,0]=4 349 B12R0.283 CCOC(=O)OC(C)OC[C@@H](C)F cbd4eb1530cb16d098ad068037264f02 [0,1,1,0,0,0|2,0,0]=4 350 B12R0.283 CCOC(=O)OC(C)OC[C@H](C)F 80ce6cbb426df8f04638c932d383def2 [0,1,1,0,0,0|2,0,0]=4 351 B12R0.353 CCCOC(C)C(=O)C(=O)OCC 9a92ac853581ba2cc21117930c6489e6 [0,1,1,0,0,0|1,0,1]=4 352 B12R0.353 CCOC(=O)C(=O)C(C)NCCO c22f4786d6f6d670b7ed0b9b0fb0a64d [0,1,1,0,0,0|1,0,1]=4 353 B12R0.353 CCOC(=O)C(=O)C(C)OCCS 67c24d76018ebfecd378ac4bd7e9ae61 [0,1,1,0,0,0|0,1,1]=4 354 B12R0.353 CCOC(=O)C(C)N(C)CCCO 38cbaa47af0d412156d5bb30be0636ae [0,1,1,0,0,0|2,0,0]=4 355 B12R0.353 CCOC(=O)C(F)N(C)CCCO 0358dbad51aaeb4bc85c716dad995594 [0,1,1,0,0,0|2,0,0]=4 356 B12R0.607 C#CCOC(CC)CC(=O)OCC a376c76e1c3fea42c2f7be5a39f677b9 [0,1,1,0,0,0|1,0,1]=4 357 B12R0.607 C=CCOC(CC)CC(=O)OCC d738b1f5c33b4009df5b9ea57f8aecf7 [0,1,1,0,0,0|1,0,1]=4 358 B12R0.607 CCCOC(C=O)CC(=O)OCC 747d2b9b42ce34b0341986dd5b2bbc93 [0,1,1,0,0,0|1,0,1]=4 359 B12R0.607 CCCOC(CC)CC(=O)OCC dafd4b9e27ca4544fc02ccd58170a2a4 [0,1,1,0,0,0|1,0,0]=3 360 B12R0.607 CCOC(=O)CC(C=O)NCCO b5c09dd8a33a19819755616c145d0155 [0,1,1,0,0,0|1,0,1]=4 361 B12R0.607 CCOC(=O)CC(C=O)OCCF 7b70870109b105531356860bbe9d45dc [0,1,1,0,0,0|1,0,1]=4 362 B12R0.607 CCOC(=O)CC(C=O)OCCS 521f3852c93fcc7702c03dca88e71adf [0,1,1,0,0,0|0,1,1]=4 363 B12R0.607 CCOC(=O)CC(CC)OCC#N 3952dec02b2f9d95d1552a3acc8bfbbd [0,1,1,0,0,0|1,0,1]=4 364 B12R0.607 CCOC(=O)CC(CC)OCC=O c4c84bc3ee5d357990ccd7bfad6a2975 [0,1,1,0,0,0|0,0,2]=4 365 B12R0.607 CCOC(=O)CC(CC)OCCF bf73cec277a4550239ab1654a80656b7 [0,1,1,0,0,0|1,0,0]=3 366 B12R0.607 CCOC(=O)CC(CC)OCCS 7029d934b0963c8d6fef80f70b31c5ea [0,1,1,0,0,0|0,1,0]=3 367 B12R0.607 CCOC(=O)CC(CC)OCOC ec95fefac540e2581e2d29ed0cca4551 [0,1,1,0,0,0|2,0,0]=4 368 B12R0.607 CCOC(=O)CC(CC)OCSC 1b02cc22248a78e5d0ddacb861a65966 [0,1,1,0,0,0|2,0,0]=4 369 B12R0.607 CCOC(=O)CN(CC)CCCO 1a76ef73d1a6f2e81328124715ec8014 [0,1,1,0,0,0|2,0,0]=4 370 B12R0.661 CCCNC(C)(C)CC(=O)OCC 6f7225c73a6e761d85da5e4b4ff750b5 [0,1,1,0,0,0|2,0,0]=4 371 B12R0.661 CCOC(=O)CC(C)(C)NCCF 47ed03b72e778b81df5919f27a79416a [0,1,1,0,0,0|2,0,0]=4 372 B12R0.661 CCOC(=O)CC(C)(C)NCCO 3070ffc99194ee2e82bb90e168801f78 [0,1,1,0,0,0|1,0,0]=3 373 B12R0.661 CCOC(=O)CC(C)(C)NCCS cb0f5406df93526678ed5f41a87e408d [0,1,1,0,0,0|1,1,0]=4 374 B12R0.430 CCCC(C)(O)CC(=O)N(C)CC 603081cc90ca33ca2095b14dff494614 [0,1,1,0,0,0|2,0,0]=4 375 B12R0.744 CCOC(=O)CC(C)(C)NC(C)C cae799e3eef57dd348f8aa5ae37306cf [0,1,1,0,0,0|2,0,0]=4 376 B12R0.746 CCOC(=O)CC(C)(C)N(C)CC 1b0e7b6267ffcbadf4db7d55a41fd72c [0,1,1,0,0,0|2,0,0]=4 377 B12R1.53 CCCNC(=O)CC1CCCO1 3ce660ea97277a712a32cfa9245739b7 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.53 O=C(CC1CCCO1)NCCBr 9d32e3aa00e7cb5acbcde90c2f4b8039 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.53 O=C(CC1CCCO1)NCCF 6d05bf461017750ce3cab01edde45152 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.53 O=C(CC1CCCO1)NCCI 88eb2ca223f81ab66e089b129cf82a70 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.53 O=C(CC1CCCO1)NCCO 84b0202952da27bfec5bdbe774ba8168 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.53 O=C(CC1CCCO1)NCCS eb1ea4db0eca7fa0195a2ce0ab3213e4 [1,1,0,0,0,0|2,0,0]=4 383 B12R1.108 CCN(C)C(=O)CC1CCCO1 6f6bf38c2e2bc85dfb20d6486f9f9fe0 [1,1,0,0,0,0|2,0,0]=4 384 B12R1.1758 CCOCNCC1(CCCO1)C 9f18ffe0fc94968d88f138653de1a315 [1,1,0,0,0,0|1,0,1]=4 385 B12R1.1758 CCOCOCC1(CCCO1)C 0e7ee835a8eba810aadef8b2a83e633d [1,1,0,0,0,0|1,0,1]=4 386 B12R1.2044 CC1(CCC1)CC(=O)NCCBr bb9f63eca12ebfa885284802c71786df [0,1,0,0,1,0|2,0,0]=4 387 B12R1.2044 CC1(CCC1)CC(=O)NCCF 3d2f1be50832e431e5c760274882426d [0,1,0,0,1,0|2,0,0]=4 388 B12R1.2044 CC1(CCC1)CC(=O)NCCI cff5e6da881a0f5b81ec5bcbc5ced12b [0,1,0,0,1,0|2,0,0]=4 389 B12R1.2044 CC1(CCC1)CC(=O)NCCO ecede3199d725b4da7512b331a485822 [0,1,0,0,1,0|2,0,0]=4 390 B12R1.2044 CC1(CCC1)CC(=O)NCCS 7bf12d5903a2040c1199f45eb28d89c4 [0,1,0,0,1,0|2,0,0]=4 391 B12R1.2044 CCCNC(=O)CC1(CCC1)C 9ce236f50ee61cece35ab50d94707768 [0,1,0,0,1,0|2,0,0]=4 392 B12R1.2044 CCOCC(=O)NC1(CCC1)C 7f83e9571ff629785f04c2249e25dc95 [0,1,0,0,1,0|2,0,0]=4 393 B12R1.2092 CCN(C)C(=O)CC1(CCC1)C c216346c9d7c4f02745915a42ed10819 [0,1,0,0,1,0|2,0,0]=4 394 B14R1.2492 CC/C=C/C(=O)NCC1(CCCO1)C a17187f10a844f1add4558913ad4b78e [0,1,0,0,0,1|2,0,0]=4 395 B14R1.2492 CC/C=C\C(=O)NCC1(CCCO1)C 89e92d275c7f68c6b2165eeb19d69b14 [0,1,0,0,0,1|2,0,0]=4 396 B14R1.2492 CC1(CCCO1)CNC(=O)CCCF 9eaedb2efa44a0dd2243916b1b655217 [0,1,0,0,0,1|2,0,0]=4 397 B14R1.2492 CC1(CCCO1)CNC(=O)CCCS 5f525aa67ee68c97c0d1c59c2835ea34 [0,1,0,0,0,1|2,0,0]=4 398 B14R1.2492 CC1(CCCO1)CNC(=O)NCCF 310baf4c2e9be5367ef5b51a48734c84 [0,1,0,0,0,1|2,0,0]=4 399 B14R1.2492 CC1(CCCO1)CNC(=O)NCCN cf97f57fdfbfe98aa1a02b8d3bd4491e [0,1,0,0,0,1|2,0,0]=4 400 B14R1.2492 CC1(CCCO1)CNC(=O)NCCO d6a6a33353642bf158d04d95e954e5f7 [0,1,0,0,0,1|2,0,0]=4 401 B14R1.2492 CC1(CCCO1)CNC(=O)NCCS 9a6e847e9135087b3dce7cfa2713090d [0,1,0,0,0,1|2,0,0]=4 402 B14R1.2492 CCC#CC(=O)NCC1(CCCO1)C 68e23330f8d6912d634170654dd6cd3f [0,1,0,0,0,1|2,0,0]=4 403 B14R1.2492 CCC=CC(=O)NCC1(CCCO1)C 522ab1b094ca5d99f4ca03d4c76b3cbc [0,1,0,0,0,1|2,0,0]=4 404 B14R1.2492 CCCCC(=O)NCC1(CCCO1)C 8f7a791c8b7e79a3454842100a32db87 [0,1,0,0,0,1|2,0,0]=4 405 B14R1.2492 CCCNC(=O)NCC1(CCCO1)C 31b79058d7f196a56731b3fe4ba6f1cd [0,1,0,0,0,1|2,0,0]=4 406 B14R1.2492 CCCOC(=O)CNC1(CCCC1)C 4ffcddb817cf020170080d231fd77265 [0,1,0,0,0,1|2,0,0]=4 407 B14R1.2492 CCOCC(=O)NCC1(CCCC1)C b8ac5a4efb79837adbff1c40b035d367 [0,1,0,0,0,1|2,0,0]=4 408 B14R1.2492 CCOCC(=O)NCC1(CCCO1)C aa05cbe4d8da375143ecbc850cb8b47e [0,1,0,0,0,1|1,0,0]=3 409 B14R1.2492 CCSCC(=O)NCC1(CCCO1)C 54603488b6f22a6f28e0360ece824974 [0,1,0,0,0,1|1,1,0]=4 410 B14R1.2492 COCCC(=O)NCC1(CCCO1)C 1d7d3583ef34e66f08425be094b0a37c [0,1,0,0,0,1|2,0,0]=4 411 B14R1.2492 CSCCC(=O)NCC1(CCCO1)C 42def16e0839c1bbeb220fb97fda81b2 [0,1,0,0,0,1|2,0,0]=4 412 B14R1.2787 C=C(CC)C(=O)NCC1(CCCO1)C 7863afb90903eeb4a2f1f47024b14d4f [0,1,0,0,0,1|2,0,0]=4 413 B14R1.2787 CCC(=O)C(=O)NCC1(CCCO1)C 9b9caac28c667630baf1fc11b54d92b7 [0,1,0,0,0,1|2,0,0]=4 414 B14R1.2787 CCC(O)C(=O)NCC1(CCCO1)C bbf04e767591259231609bb03c515d3d [0,1,0,0,0,1|2,0,0]=4 415 B14R1.2787 CCN(C)C(=O)NCC1(CCCO1)C e4e213b821ad9b3c099be488b280fbad [0,1,0,0,0,1|2,0,0]=4 416 B14R1.2787 CC[C@@H](O)C(=O)NCC1(CCCO1)C 222c5ed18816a1943d6e71993f483b8f [0,1,0,0,0,1|2,0,0]=4 417 B14R1.2787 CC[C@H](O)C(=O)NCC1(CCCO1)C 939c5621f5828f26c44852580d85d64c [0,1,0,0,0,1|2,0,0]=4 418 B14R1.2787 CC[C@H](S)C(=O)NCC1(CCCO1)C 8a705f44704e5630b419795d122a7a6b [0,1,0,0,0,1|2,0,0]=4 419 B14R1.10222 CCOC(=O)CNC1(CCC(C1)O)C f86abdadbb4c9624647d6b983ab5da4d [0,1,0,0,0,1|2,0,0]=4 420 B14R1.10222 CCOC(=O)CN[C@]1(CC[C@@H](C1)O)C 336190b72edb50cc97968e0dcc3d4952 [0,1,0,0,0,1|2,0,0]=4 421 B14R1.10222 CCOC(=O)CN[C@]1(CC[C@H](C1)O)C 4c675a6200d0c5333766260f9b4be463 [0,1,0,0,0,1|2,0,0]=4 422 B14R1.10449 CCCC(=O)N(C)CC1(CCCO1)C 6b06521453a93e33389c9abdec59c1c6 [0,1,0,0,0,1|2,0,0]=4 423 B14R1.10449 CCOC(=O)C(C)NC1(CCCC1)C ccf8fd44d26ffba7e0d607a4c01b38e8 [0,1,0,0,0,1|2,0,0]=4 424 B14R1.10449 CCOC(=O)C(F)NC1(CCCC1)C 8da66709b037eb54c93b55c672f02fc2 [0,1,0,0,0,1|2,0,0]=4 425 B14R1.10449 CCOC(=O)[C@@H](C)NC1(CCCC1)C 4aa2eb0adb538b36d63326b95077a717 [0,1,0,0,0,1|2,0,0]=4 426 B14R1.10449 CCOC(=O)[C@H](C)NC1(CCCC1)C 82b03a1a4bbd5c2397f53e153e94755a [0,1,0,0,0,1|2,0,0]=4 427 B14R1.13051 CC(C)CC(=O)NCC1(CCCO1)C 49e97dbe7cf020d76211fd61f04f7c19 [0,1,0,0,0,1|2,0,0]=4 428 B14R1.13051 CC(C)OC(=O)CNC1(CCCC1)C a7e73980cd1d3a42e363e1c853e38e26 [0,1,0,0,0,1|2,0,0]=4 429 B14R1.13051 CC(O)CC(=O)NCC1(CCCO1)C 558731ca59e645a146fd27b8fb5b99ef [0,1,0,0,0,1|2,0,0]=4 430 B14R1.13051 C[C@@H](O)CC(=O)NCC1(CCCO1)C 42076332218e5a0b203add763021179e [0,1,0,0,0,1|2,0,0]=4 431 B14R1.13051 C[C@H](O)CC(=O)NCC1(CCCO1)C 26e18d90297f5c5aaabdebba97a5f408 [0,1,0,0,0,1|2,0,0]=4 432 B14R1.18891 CCOC(=O)CNC1(CCCC1)CO 230c6ec5fa23815122fc76ae730f5ed3 [0,1,0,0,0,1|2,0,0]=4 433 B14R1.19178 CCNC1(CCCC1)CC(=O)OCC 4e0c55c75d240235ff3af5633df2e999 [0,2,0,0,0,0|2,0,0]=4 434 B14R1.19178 CCOC(=O)CC1(CCCC1)NCF c4d5af2c9e17cc2718fe65a9e0a6b0e2 [0,2,0,0,0,0|2,0,0]=4 435 B14R1.19178 CCOC(=O)CC1(CCCC1)NCO 01c7a432c6522dd5ba400b6045e6039e [0,2,0,0,0,0|2,0,0]=4 436 B12R1.32 CCOC(=O)CN1CCCOC1 f6eb121a90e6996960ea97fe635c1b81 [0,0,1,1,0,0|2,0,0]=4 437 B12R1.321 CCCOC1CCCNC(=O)C1 613b246a29a98fa233a4b20d966fc3f9 [0,0,1,1,0,0|2,0,0]=4 438 B12R1.321 O=C1CC(CCCN1)OCCF baff132e04f9483b67c77eb9f7b4aa0f [0,0,1,1,0,0|2,0,0]=4 439 B12R1.321 O=C1CC(CCCN1)OCCS 03a58e75ab35b431c8bc052b0f3b5642 [0,0,1,1,0,0|1,1,0]=4 440 B12R1.323 C#CCO[C@@H]1C[C@@H]1C(=O)OCC b86469fddf15a9d5f5f82b4d2d45a9f9 [0,0,1,1,0,0|1,0,1]=4 441 B12R1.323 C#CCO[C@H]1C[C@H]1C(=O)OCC 5f238bb76d63050998b60f589db4c0ea [0,0,1,1,0,0|1,0,1]=4 442 B12R1.323 CCCN[C@@H]1C[C@@H]1C(=O)OCC fe040363585cc81fd2823b1fdfbbe67d [0,0,1,1,0,0|2,0,0]=4 443 B12R1.323 CCCN[C@H]1C[C@H]1C(=O)OCC 0f7eadeab4221258207ecb40150121cb [0,0,1,1,0,0|2,0,0]=4 444 B12R1.323 CCCO[C@@H]1C[C@@H]1C(=O)OCC 75aac217bd9dee89998b32986cba2ede [0,0,1,1,0,0|1,0,0]=3 445 B12R1.323 CCCO[C@H]1C[C@H]1C(=O)OCC 650ce867e1dbd793bb25c017969d15b8 [0,0,1,1,0,0|1,0,0]=3 446 B12R1.323 CCOC(=O)[C@@H]1C[C@@H]1NCCBr f1282baf2221e7e60e8a18142a656a38 [0,0,1,1,0,0|2,0,0]=4 447 B12R1.323 CCOC(=O)[C@@H]1C[C@@H]1NCCF 9838d31e4fc105f44d692cc2e7b890a9 [0,0,1,1,0,0|2,0,0]=4 448 B12R1.323 CCOC(=O)[C@@H]1C[C@@H]1NCCI 30c45583987c4c2c6ea7c6f9bc52ed58 [0,0,1,1,0,0|2,0,0]=4 449 B12R1.323 CCOC(=O)[C@@H]1C[C@@H]1NCCO c21de98e970c9cbe11b1857b3d59981c [0,0,1,1,0,0|1,0,0]=3 450 B12R1.323 CCOC(=O)[C@@H]1C[C@@H]1NCCS 81f545e219bb0e9826c73ecbd2f1c16a [0,0,1,1,0,0|1,1,0]=4 451 B12R1.323 CCOC(=O)[C@@H]1C[C@@H]1OCC#N c707335f83a5a7e525df5b6ffc461e84 [0,0,1,1,0,0|1,0,1]=4 452 B12R1.323 CCOC(=O)[C@@H]1C[C@@H]1OCCF bc257e8e0b465f70ba7f424cdc432855 [0,0,1,1,0,0|1,0,0]=3 453 B12R1.323 CCOC(=O)[C@@H]1C[C@@H]1OCCS e9d10daf1d3336092af10aec8fec85d2 [0,0,1,1,0,0|0,1,0]=3 454 B12R1.323 CCOC(=O)[C@@H]1C[C@@H]1OCOC b783a1b239c71f5f935c363b334fdf76 [0,0,1,1,0,0|2,0,0]=4 455 B12R1.323 CCOC(=O)[C@H]1C[C@H]1NCCBr fe03a38ec52197ef9ba7b71164cca3eb [0,0,1,1,0,0|2,0,0]=4 456 B12R1.323 CCOC(=O)[C@H]1C[C@H]1NCCF de76e1998ef8d593ec71d52946a905e6 [0,0,1,1,0,0|2,0,0]=4 457 B12R1.323 CCOC(=O)[C@H]1C[C@H]1NCCI c917776e82a88fca9ba73e40cf1daf00 [0,0,1,1,0,0|2,0,0]=4 458 B12R1.323 CCOC(=O)[C@H]1C[C@H]1NCCO 6f939d2b3d9f9dc3f47274472707c374 [0,0,1,1,0,0|1,0,0]=3 459 B12R1.323 CCOC(=O)[C@H]1C[C@H]1NCCS 69021ad16ae71564b222711e5740651e [0,0,1,1,0,0|1,1,0]=4 460 B12R1.323 CCOC(=O)[C@H]1C[C@H]1OCC#N 3b7777c43ad37626a6dfb3a5c696198f [0,0,1,1,0,0|1,0,1]=4 461 B12R1.323 CCOC(=O)[C@H]1C[C@H]1OCCF f1b3721ba034c705da1fccc98510e883 [0,0,1,1,0,0|1,0,0]=3 462 B12R1.323 CCOC(=O)[C@H]1C[C@H]1OCCS e3f57efb41300b675fafb9dc5b1033c5 [0,0,1,1,0,0|0,1,0]=3 463 B12R1.323 CCOC(=O)[C@H]1C[C@H]1OCOC dbafba3aa3fb3ac6e535de5174686c4b [0,0,1,1,0,0|2,0,0]=4 464 B12R1.380 CCCO[C@H]1CC(=O)N(C1)CC 46c337940d4a0a20fa0e5e183933d032 [0,0,1,1,0,0|2,0,0]=4 465 B12R1.380 CCN1C[C@H](CC1=O)OCCF 55ff725f42bb50b8d820484d945c60ac [0,0,1,1,0,0|2,0,0]=4 466 B12R1.380 CCN1C[C@H](CC1=O)OCCS 6b75fdefcd02044731542f85e5a0d5af [0,0,1,1,0,0|1,1,0]=4 467 B12R1.521 CCOC(=O)CC(C)NC1CC1 904ef0210a2444f7ecfd98e417e7a769 [0,0,1,1,0,0|2,0,0]=4 468 B12R1.521 CCOC(=O)CC(C)OC1CC1 9af437f0f49b6234de06e09f5387c2b9 [0,0,1,1,0,0|1,0,0]=3 469 B12R1.521 CCOC(=O)C[C@@H](C)OC1CC1 42a0a97af1160d659492335cf5cdcc4c [0,0,1,1,0,0|1,0,0]=3 470 B12R1.521 CCOC(=O)C[C@H](C)OC1CC1 76e958a8ee19159aa4e2e63e3b726282 [0,0,1,1,0,0|1,0,0]=3 471 B12R1.521 CCOC(=O)OC(C)OC1CC1 bad1486bd65fbc28274cf2b97abd807a [0,0,1,1,0,0|2,0,0]=4 472 B12R1.1095 C[C@@H]1CC(=O)C[C@@H](N1CCO)C e6f16d54ef97ec3f8aa8f892a3c19f30 [0,0,1,1,0,0|2,0,0]=4 473 B12R1.1141 CC1CC(=O)NCCN1CCO 5886db86ad71b23899f218891cf98477 [0,0,1,1,0,0|2,0,0]=4 474 B12R1.1621 CCOC(=O)CN1CC(C1)CO 4fe74b3881fe03ae84563aa3a669039f [0,0,1,1,0,0|2,0,0]=4 475 B12R1.1591 CCOC(=O)C1N(C1(C)C)CC 543860a31bf0f07fe2013b89c57868fe [0,0,1,1,0,0|2,0,0]=4 476 B12R1.2060 CCNC1(CC1)CC(=O)OCC b6851bcec86dc4a269a0889629254a1e [0,0,1,1,0,0|2,0,0]=4 477 B14R2.9932 CCCC(=O)NCC12CC(C1)CO2 264ff66e603453567f654ed3dd7555ca [0,0,0,1,0,1|2,0,0]=4 478 B14R2.33855 CCCC(=O)N1CC2(C1)CCCO2 7d9567592b824f2db723a97985c85262 [0,0,0,1,0,1|2,0,0]=4 479 B10R0.19 C#CCOC(C)C(=O)OCC 3b6f728efbeef788f9bd15854fae5528 [0,0,1,0,1,0|1,0,1]=4 480 B10R0.19 C#CCO[C@@H](C)C(=O)OCC 4ce557918f5fead9dd83fd618b31b3c7 [0,0,1,0,1,0|1,0,1]=4 481 B10R0.19 C#CCO[C@H](C)C(=O)OCC 78ce25ce7ab9775f257f7eea412675d0 [0,0,1,0,1,0|1,0,1]=4 482 B10R0.19 C=CCOC(C)C(=O)OCC d3309bd84208dc7a3de1b49a2f3dfab4 [0,0,1,0,1,0|1,0,1]=4 483 B10R0.19 C=CCO[C@@H](C)C(=O)OCC 9768f7f1feddcab988d38d38c364b59e [0,0,1,0,1,0|1,0,1]=4 484 B10R0.19 C=CCO[C@H](C)C(=O)OCC 0db01816629daaa0570330a3dd8e22d8 [0,0,1,0,1,0|1,0,1]=4 485 B10R0.19 CCCNC(C)C(=O)OCC a5bc76108a07c2d666e42f51eaeeddad [0,0,1,0,1,0|2,0,0]=4 486 B10R0.19 CCCN[C@@H](C)C(=O)OCC 8307fc251a428f5e5cd7764df108d7f4 [0,0,1,0,1,0|2,0,0]=4 487 B10R0.19 CCCN[C@H](C)C(=O)OCC e3baecfd69e367b3a0331595e9b279fc [0,0,1,0,1,0|2,0,0]=4 488 B10R0.19 CCCOC(C)C(=O)NCC 663a3ae454ef80b37fef1892bf90e0da [0,0,1,0,1,0|2,0,0]=4 489 B10R0.19 CCCOC(C)C(=O)OCC ab8ff289244dec834ca22da0f5d8b6d4 [0,0,1,0,1,0|1,0,0]=3 490 B10R0.19 CCCOC(F)C(=O)OCC a0370e8810575cf9bdcdb7d5afcd7c6f [0,0,1,0,1,0|2,0,0]=4 491 B10R0.19 CCCO[C@@H](C)C(=O)OCC d090f23ed408baa128a37269f58d1c53 [0,0,1,0,1,0|1,0,0]=3 492 B10R0.19 CCCO[C@H](C)C(=O)OCC dcab65047931043055d0bc5167530869 [0,0,1,0,1,0|1,0,0]=3 493 B10R0.19 CCNC(=O)C(C)NCCO 5db6ec71272c69b798d6506ac5f10a10 [0,0,1,0,1,0|2,0,0]=4 494 B10R0.19 CCNC(=O)C(C)OCCF 1ae2480e25992c330124a9785da3e9ad [0,0,1,0,1,0|2,0,0]=4 495 B10R0.19 CCNC(=O)C(C)OCCS bed8f45fbd0ecbf0d0d67fa92b81b18d [0,0,1,0,1,0|1,1,0]=4 496 B10R0.19 CCNC(=O)[C@H](C)NCCO f8485129771c5a355f1ad0560da47d5b [0,0,1,0,1,0|2,0,0]=4 497 B10R0.19 CCOC(=O)C(C)CNCO 1f1750a2c4f819bc91715968f9192e85 [0,0,1,0,1,0|2,0,0]=4 498 B10R0.19 CCOC(=O)C(C)NCCBr 0cb64ee6d40c775f652c0f1ed4d70014 [0,0,1,0,1,0|2,0,0]=4 499 B10R0.19 CCOC(=O)C(C)NCCF 3e674721f9ca0de01d6018656ac1e53f [0,0,1,0,1,0|2,0,0]=4 500 B10R0.19 CCOC(=O)C(C)NCCI 55e62beeb294e545a76ab3053ddfb073 [0,0,1,0,1,0|2,0,0]=4 501 B10R0.19 CCOC(=O)C(C)NCCO 98c9648ddf7fb40bfeef5c796786de98 [0,0,1,0,1,0|1,0,0]=3 502 B10R0.19 CCOC(=O)C(C)NCCS 65da2a38f995f40d39f707e54203408c [0,0,1,0,1,0|1,1,0]=4 503 B10R0.19 CCOC(=O)C(C)OCC#N 28979f855b1255ab0292b6d12d1cff0d [0,0,1,0,1,0|1,0,1]=4 504 B10R0.19 CCOC(=O)C(C)OCC=O cf6cab0c3795d7f7ec6eed23be2e7e3d [0,0,1,0,1,0|0,0,2]=4 505 B10R0.19 CCOC(=O)C(C)OCCF 8d33ec125dcfde79d3c39b701ed510aa [0,0,1,0,1,0|1,0,0]=3 506 B10R0.19 CCOC(=O)C(C)OCCS 678639ffc4291db2dbdeb8e121892a25 [0,0,1,0,1,0|0,1,0]=3 507 B10R0.19 CCOC(=O)C(C)OCOC 45b535ba590e906f0e2f4a938e1f9641 [0,0,1,0,1,0|2,0,0]=4 508 B10R0.19 CCOC(=O)C(C)OCSC cd91fd18a612d8c5c10fbf2ba48318b3 [0,0,1,0,1,0|2,0,0]=4 509 B10R0.19 CCOC(=O)C(F)NCCO 12d98e39721837c854962eaf22066fee [0,0,1,0,1,0|2,0,0]=4 510 B10R0.19 CCOC(=O)C(F)OCCF cdfc8b1ed6e9271c3833a5df53b2d241 [0,0,1,0,1,0|2,0,0]=4 511 B10R0.19 CCOC(=O)C(F)OCCS dd9db70d453889e0010adfa217c779c9 [0,0,1,0,1,0|1,1,0]=4 512 B10R0.19 CCOC(=O)[C@@H](C)NCCBr a4736d092bcbb74d11f55219d2897228 [0,0,1,0,1,0|2,0,0]=4 513 B10R0.19 CCOC(=O)[C@@H](C)NCCF 74cfd0f122c169ccf9b6b621f20b549a [0,0,1,0,1,0|2,0,0]=4 514 B10R0.19 CCOC(=O)[C@@H](C)NCCI 18aa06b3a7d7be0ac9906415cc40b82b [0,0,1,0,1,0|2,0,0]=4 515 B10R0.19 CCOC(=O)[C@@H](C)NCCO 08be691523ceeab57d04dc6f7a075a2d [0,0,1,0,1,0|1,0,0]=3 516 B10R0.19 CCOC(=O)[C@@H](C)NCCS ae4d5e48f6e61befa3bb39020df1cd80 [0,0,1,0,1,0|1,1,0]=4 517 B10R0.19 CCOC(=O)[C@@H](C)OCC#N 873455e77439e2c622c41a11a66a36ad [0,0,1,0,1,0|1,0,1]=4 518 B10R0.19 CCOC(=O)[C@@H](C)OCC=O 13ac69e6277e243c82e2b43a48383520 [0,0,1,0,1,0|0,0,2]=4 519 B10R0.19 CCOC(=O)[C@@H](C)OCCF 2b98e3a0780235a1ab49d0fbd769cbb9 [0,0,1,0,1,0|1,0,0]=3 520 B10R0.19 CCOC(=O)[C@@H](C)OCCS 54ec4dd0d44697b6d0f71910611b4787 [0,0,1,0,1,0|0,1,0]=3 521 B10R0.19 CCOC(=O)[C@@H](C)OCOC 6d10ddf4d83787d87e4c56e629f34599 [0,0,1,0,1,0|2,0,0]=4 522 B10R0.19 CCOC(=O)[C@@H](C)OCSC b356af9367a0d09fe45fe2ecf2a2739c [0,0,1,0,1,0|2,0,0]=4 523 B10R0.19 CCOC(=O)[C@H](C)NCCBr 9f347487137125f70c0bb9513dfc54a5 [0,0,1,0,1,0|2,0,0]=4 524 B10R0.19 CCOC(=O)[C@H](C)NCCF 3d30530e1f846694e4b0c842723df9a7 [0,0,1,0,1,0|2,0,0]=4 525 B10R0.19 CCOC(=O)[C@H](C)NCCI 776bdf0f095d7a7840333d374bd2156b [0,0,1,0,1,0|2,0,0]=4 526 B10R0.19 CCOC(=O)[C@H](C)NCCO f7b2e715928240e2797f31972a8afb06 [0,0,1,0,1,0|1,0,0]=3 527 B10R0.19 CCOC(=O)[C@H](C)NCCS 71303de23b18ac2977d5420a4e8bc5d2 [0,0,1,0,1,0|1,1,0]=4 528 B10R0.19 CCOC(=O)[C@H](C)OCC#N 0bee0d2833822b1bacba437e3c5ed99b [0,0,1,0,1,0|1,0,1]=4 529 B10R0.19 CCOC(=O)[C@H](C)OCC=O ef3bf9b52e9524b1d7e12e7dcb4dfc50 [0,0,1,0,1,0|0,0,2]=4 530 B10R0.19 CCOC(=O)[C@H](C)OCCF 8b3dd1eaac08d97cfee9ac1b8cad2069 [0,0,1,0,1,0|1,0,0]=3 531 B10R0.19 CCOC(=O)[C@H](C)OCCS a2fb7a9524546fdcaa3c8036beec55ee [0,0,1,0,1,0|0,1,0]=3 532 B10R0.19 CCOC(=O)[C@H](C)OCOC fa68e3132ada730f1da09bc5267e2344 [0,0,1,0,1,0|2,0,0]=4 533 B10R0.19 CCOC(=O)[C@H](C)OCSC 83fc4e59b76985b825fcf4c9a31c6b4b [0,0,1,0,1,0|2,0,0]=4 534 B10R0.129 CCNC(C)(C)C(=O)OCC e492185ef703bef7a3647b666d522834 [0,0,1,0,1,0|2,0,0]=4 535 B10R1.137 CCOC(=O)CN1CCC1 c356c472b4a85b80a43b305b1358afd7 [1,0,0,0,1,0|2,0,0]=4 536 B10R1.376 CCCNCC1(CCO1)C 65fc3cc51c1fbab7b24f653deb04f23b [1,0,0,0,1,0|2,0,0]=4 537 B10R1.376 CCCNC[C@@]1(CCO1)C 9ed9efdb7491f824e237662aad34ddc1 [1,0,0,0,1,0|2,0,0]=4 538 B10R1.376 CCCOCC1(CCO1)C 902133afbe1ed190c66bea68a61cea27 [1,0,0,0,1,0|2,0,0]=4 539 B10R1.376 CCCOC[C@@]1(CCO1)C 6262fc8fec3051a21333e10a3e5b9bb5 [1,0,0,0,1,0|2,0,0]=4 540 B10R1.376 CCCOC[C@]1(CCO1)C b7f2025e53141ae7b5e35415c5a0491c [1,0,0,0,1,0|2,0,0]=4 541 B10R1.429 CCC(=O)NC1(CCC1)C 9a8f0b59a82876440a91a0c82f313d1b [1,0,0,0,1,0|2,0,0]=4 542 B10R1.181 CCCC(=O)NC1(CC1)C e1b89e3e7991b16b44cf189a2691177e [0,0,0,0,2,0|2,0,0]=4 543 B12R0.101 CCCC(=O)CNC(C)CCCO fd4cb5fb004f60b2f252dec473950bfa [0,0,1,0,0,1|2,0,0]=4 544 B12R0.101 CCCC(=O)CN[C@H](C)CCCO 7f837ae155d835ceb55d3cd16720920b [0,0,1,0,0,1|2,0,0]=4 545 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 1656882a503ac29450bf52d7c1a4a84b [0,0,1,0,0,1|2,0,0]=4 546 B12R0.101 CCCCC(C)NCC(=O)OCC d154861d7f7c44c40eadfe4aed771c8b [0,0,1,0,0,1|2,0,0]=4 547 B12R0.101 CCCCC(C)OCC(=O)OCC 88d09e5d48ec2304220914552512da91 [0,0,1,0,0,1|2,0,0]=4 548 B12R0.101 CCCC[C@@H](C)NCC(=O)OCC 18c479395533d308ddd1815b7c3262db [0,0,1,0,0,1|2,0,0]=4 549 B12R0.101 CCCC[C@@H](C)OCC(=O)OCC f25b95625d8374ac06d4f2798e658eba [0,0,1,0,0,1|2,0,0]=4 550 B12R0.101 CCCC[C@H](C)OCC(=O)OCC 244f173b700a3c32798f0355652dceda [0,0,1,0,0,1|2,0,0]=4 551 B12R0.101 CCCNC(C)CCC(=O)OCC a09f5e61e6971a10e64ce3cdd941f9eb [0,0,1,0,0,1|2,0,0]=4 552 B12R0.101 CCCOC(C)CCC(=O)OCC 80399dde3c447b1750f028ff1651a970 [0,0,1,0,0,1|1,0,0]=3 553 B12R0.101 CCNC(=O)CNC(C)CCCO 7ff68218108b298b2fb53a60af9c116c [0,0,1,0,0,1|2,0,0]=4 554 B12R0.101 CCNC(=O)CN[C@H](C)CCCO 97e152aea5e29d4133bb7cb8eb05708d [0,0,1,0,0,1|2,0,0]=4 555 B12R0.101 CCOC(=O)CCC(C)NCCBr 39e556a9f3ab4ec81a872003ed5641c5 [0,0,1,0,0,1|2,0,0]=4 556 B12R0.101 CCOC(=O)CCC(C)NCCI c2f378858089dffafd4af2d835cfa63b [0,0,1,0,0,1|2,0,0]=4 557 B12R0.101 CCOC(=O)CCC(C)NCCO eee3adc1491114a8c6bb666bac9a1822 [0,0,1,0,0,1|1,0,0]=3 558 B12R0.101 CCOC(=O)CCC(C)OCC#N 812c259cb923ea884e36305c74f51860 [0,0,1,0,0,1|1,0,1]=4 559 B12R0.101 CCOC(=O)CCC(C)OCCS 4ebed9a1de52b50e019acd3e8494591c [0,0,1,0,0,1|0,1,0]=3 560 B12R0.101 CCOC(=O)CCN(C)CCCO 39b29c1d25c73f73e96847d8a97fbd69 [0,0,1,0,0,1|2,0,0]=4 561 B12R0.101 CCOC(=O)CNC(C)CCCO 429c5bdebe1aa500928f496acdd6aa12 [0,0,1,0,0,1|1,0,0]=3 562 B12R0.101 CCOC(=O)CN[C@H](C)CCCO 9ceb676abd9957e0c6ffebea062a6a5c [0,0,1,0,0,1|1,0,0]=3 563 B12R0.101 CCOC(=O)OCN(C)CCCO 906f665e32ee565c8f86b040a275c538 [0,0,1,0,0,1|2,0,0]=4 564 B12R0.445 CCCC(=O)NCC(C)(O)CCC 94a5ff430cf46e4b9ff87f22b08bcc6c [0,0,1,0,0,1|2,0,0]=4 565 B12R0.446 C/C=C/C(=O)NCC(C)(OC)OC 9b231af30bf86242525aa87577e60d61 [0,0,1,0,0,1|1,0,1]=4 566 B12R0.446 CC#CC(=O)NCC(C)(OC)OC ecb9660e55d11762fa6eb85b598f058d [0,0,1,0,0,1|1,0,1]=4 567 B12R0.446 CCCC(=O)NCC(C)(OC)OC 5310e76c962b531083c8835ba5ff3a0d [0,0,1,0,0,1|1,0,0]=3 568 B12R0.446 CCCC(=S)OCC(C)(OC)OC a8d21437ae618446cb95723655c8be55 [0,0,1,0,0,1|1,1,0]=4 569 B12R0.446 CCOC(=O)CNC(C)(CC)CC 426c2134ad786aee9861480506a826a0 [0,0,1,0,0,1|2,0,0]=4 570 B12R0.446 COC(C)(CNC(=O)CCF)OC 37fc3f8140139af25bf28401f414fc31 [0,0,1,0,0,1|2,0,0]=4 571 B12R0.446 COC(C)(CNC(=O)CCO)OC 156b3b45c3fb6b2bc57a4116c11e2376 [0,0,1,0,0,1|2,0,0]=4 572 B12R0.446 COC(C)(CNC(=O)CCS)OC e9bf7e501537b4de4f1daf2b3babcddc [0,0,1,0,0,1|2,0,0]=4 573 B12R0.446 COC(C)(CNC(=O)CSC)OC c276ab108404781f76e4b7f2cb2d9018 [0,0,1,0,0,1|2,0,0]=4 574 B12R0.446 COCC(=O)NCC(C)(OC)OC f4bd943253cfd966f92b510faf983627 [0,0,1,0,0,1|2,0,0]=4 575 B12R1.51 CCCC(=O)COC1CCCO1 57a2688735a65f75410539ea4e47637c [1,0,0,0,0,1|2,0,0]=4 576 B12R1.51 CCCC(=O)NCC1CCCO1 e4a03b1f607ff098a7b99b505f41ca9d [1,0,0,0,0,1|2,0,0]=4 577 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 fa412fcaf3ac17029c350efdfa77a0ca [1,0,0,0,0,1|2,0,0]=4 578 B12R1.51 CCCC(=O)NC[C@H]1CCCO1 09ba24c92f7c743a1d210609eeb0d318 [1,0,0,0,0,1|2,0,0]=4 579 B12R1.51 CCNC(=O)COC1CCCO1 384581e3172f5d40036c2d5de48039d0 [1,0,0,0,0,1|2,0,0]=4 580 B12R1.51 CCOC(=O)CNC1CCCC1 a385a38555c8482595f001367ab698e4 [1,0,0,0,0,1|2,0,0]=4 581 B12R1.51 CCOC(=O)COC1CCCC1 ac71fdfb9de8db34ecb53d8b4837512e [1,0,0,0,0,1|2,0,0]=4 582 B12R1.51 CCOC(=O)COC1CCCO1 15122d4990e6299de769df253b8bae33 [1,0,0,0,0,1|1,0,0]=3 583 B12R1.1997 CCCNCC1(COCCO1)C 6a52c387780893b070d826a3236bd520 [1,0,0,0,0,1|2,0,0]=4 584 B12R1.1997 CCCOCC1(COCCO1)C d4949eb9bcacf29bee72512158dcefd3 [1,0,0,0,0,1|2,0,0]=4 585 B12R1.3524 CCN(C)CC1(COCCO1)C ddc55e82cd602b7c86c5b9b5fd970643 [1,0,0,0,0,1|2,0,0]=4 586 B12R1.1573 C/C=C/C(=O)NCC1(CCO1)C c8dd9b9164bd988a21037d5b6b61fd79 [0,0,0,0,1,1|1,0,1]=4 587 B12R1.1573 C/C=C/C(=O)NC[C@@]1(CCO1)C 6a3cd2179c5ae9fea75640efcf3224ec [0,0,0,0,1,1|1,0,1]=4 588 B12R1.1573 CC#CC(=O)NCC1(CCO1)C 45978047fd167dd7b162b4d713530206 [0,0,0,0,1,1|1,0,1]=4 589 B12R1.1573 CC#CC(=O)NC[C@@]1(CCO1)C 9a686ecd1fb81613c12af5bf6cd61a14 [0,0,0,0,1,1|1,0,1]=4 590 B12R1.1573 CC1(CCO1)CNC(=O)CCF 054aefefe7deae31830dcaf6360a8efc [0,0,0,0,1,1|2,0,0]=4 591 B12R1.1573 CC1(CCO1)CNC(=O)CCO e4e280436b6c54bf9ed3fe8f069375d8 [0,0,0,0,1,1|2,0,0]=4 592 B12R1.1573 CC1(CCO1)CNC(=O)CCS e527ac2bf32b959ed6ec0e5de9ca2eb5 [0,0,0,0,1,1|2,0,0]=4 593 B12R1.1573 CCCC(=O)CNC1(CCC1)C 6eab18ffec6d367e4f0ec72205e18189 [0,0,0,0,1,1|2,0,0]=4 594 B12R1.1573 CCCC(=O)NCC1(CCO1)C 478ec4e81c5c4c4fce4601e385c2d113 [0,0,0,0,1,1|1,0,0]=3 595 B12R1.1573 CCCC(=O)NC[C@@]1(CCO1)C 9997b62da7d9b3bab4105465eeb349e7 [0,0,0,0,1,1|1,0,0]=3 596 B12R1.1573 CCNC(=O)CNC1(CCC1)C 97c6813e29327b29574b35a7b5042fef [0,0,0,0,1,1|2,0,0]=4 597 B12R1.1573 CCOC(=O)CNC1(CCC1)C 96f3a0b6b46870f22cee2a794a3108ed [0,0,0,0,1,1|1,0,0]=3 598 B12R1.1573 CCOC(=O)CNC1(COC1)C b7ff268d78473e77432ddc46006f7e4b [0,0,0,0,1,1|2,0,0]=4 599 B12R1.1573 CCOC(=O)CNC1(CSC1)C 3ac660bd87fde7c64e13742ec7297aeb [0,0,0,0,1,1|2,0,0]=4 600 B12R1.1573 COCC(=O)NCC1(CCO1)C 029174e3f7d4117c85d20966593fe29c [0,0,0,0,1,1|2,0,0]=4 601 B12R1.1573 COCC(=O)NC[C@@]1(CCO1)C 6431969bfff37d097429fe63e6ee9338 [0,0,0,0,1,1|2,0,0]=4 602 B12R1.1573 CSCC(=O)NCC1(CCO1)C f84c3f079520fb413444a58404c89c64 [0,0,0,0,1,1|2,0,0]=4 603 B12R1.1573 CSCC(=O)NC[C@@]1(CCO1)C 87cdc545f84eec24018c99d04043df60 [0,0,0,0,1,1|2,0,0]=4 604 B12R1.1573 C[C@]1(CCO1)CNC(=O)CCF 3f6fc989230f3f1a3f68b39f8f955da8 [0,0,0,0,1,1|2,0,0]=4 605 B12R1.1573 C[C@]1(CCO1)CNC(=O)CCO ac6d5a1bfe5f11aaf9edb4fe3058b657 [0,0,0,0,1,1|2,0,0]=4 606 B12R1.1573 C[C@]1(CCO1)CNC(=O)CCS 0783e9dae6abe35639da42cf1013503f [0,0,0,0,1,1|2,0,0]=4 607 B14R1.2617 CCCC(=O)CNCC1(CCCO1)C 856b799d54d160ca7cf7bc4585a2485c [0,0,0,0,0,2|2,0,0]=4 608 B14R1.2617 CCCC(=O)COCC1(CCCO1)C 2e8c639afb14d425994989039660e626 [0,0,0,0,0,2|2,0,0]=4 609 B14R1.2617 CCNC(=O)CNCC1(CCCO1)C 02d1891565da8b4d3d79c037fd401e10 [0,0,0,0,0,2|2,0,0]=4 610 B14R1.2617 CCNC(=O)COCC1(CCCO1)C 79eb0e0938323772fa4526a7b6142859 [0,0,0,0,0,2|2,0,0]=4 611 B14R1.2617 CCOC(=O)CCNC1(CCCC1)C 41f13aceb855b65238e176b059b1a131 [0,0,0,0,0,2|2,0,0]=4 612 B14R1.2617 CCOC(=O)CNCC1(CCCC1)C ee78f3061c0948c79bee0e0f76454ca3 [0,0,0,0,0,2|2,0,0]=4 613 B14R1.2617 CCOC(=O)CNCC1(CCCO1)C ad2846961e197c180ba4c464117bf649 [0,0,0,0,0,2|1,0,0]=3 614 B14R1.2617 CCOC(=O)COCC1(CCCC1)C 8e66c28c4ef3d72f88f477579be297c6 [0,0,0,0,0,2|2,0,0]=4 615 B14R1.2617 CCOC(=O)COCC1(CCCO1)C a51846d87919dd80e0b1f341fc14bc34 [0,0,0,0,0,2|1,0,0]=3 616 B14R1.2617 CCOC(=O)OCNC1(CCCC1)C 57337b6a69681d9f9fdbda4f9e708d44 [0,0,0,0,0,2|2,0,0]=4 617 B14R1.18883 CCCC(=S)OCC1(COCCO1)C 73301d1e5f57b22c963ff9fa70836aad [0,0,0,0,0,2|1,1,0]=4 618 B14R1.18883 CCOC(=O)CNC1(CCCCC1)C 77b8c76b9e26b3a2f1cb4be3d86bf9db [0,0,0,0,0,2|2,0,0]=4 619 B14R1.18883 CCOC(=O)CNC1(CCOCC1)C 1fd39de819c37c698c339e8144df3bfe [0,0,0,0,0,2|2,0,0]=4