0 B9R1.1 OCN1CCC(CC1)O 8c9fdfb456137554f80d512222114412 [0,1,0,0,0,0|3,0,0]=4 1 B7R0.3 C=CC(O)CNCO 3d7c6c2844077ac45767c2f09e74a1be [0,0,1,0,0,0|2,0,1]=4 2 B7R0.3 CC(CO)NCCO 5cd093cef9425d970f2779cfd472d185 [0,0,1,0,0,0|2,1,0]=4 3 B7R0.3 CC(CS)OCCF 5a14cb2acfb2d6d25be1b8f12b44b6ed [0,0,1,0,0,0|2,1,0]=4 4 B7R0.3 CC(CS)OCCS 4c5a0494234ba5cfb20d857e8ce0ca08 [0,0,1,0,0,0|1,2,0]=4 5 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,0,1,0,0,0|3,0,0]=4 6 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,0,1,0,0,0|3,0,0]=4 7 B7R0.3 CCC(O)CNCF 7b1de8624516487080ebd1a2aadc352e [0,0,1,0,0,0|3,0,0]=4 8 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [0,0,1,0,0,0|2,0,0]=3 9 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [0,0,1,0,0,0|2,1,0]=4 10 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [0,0,1,0,0,0|2,1,0]=4 11 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [0,0,1,0,0,0|3,0,0]=4 12 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [0,0,1,0,0,0|3,0,0]=4 13 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [0,0,1,0,0,0|3,0,0]=4 14 B7R0.3 CC[C@@H](O)CNCF 7d1b814c6cda97ec1056049a0891a12c [0,0,1,0,0,0|3,0,0]=4 15 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [0,0,1,0,0,0|2,0,0]=3 16 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [0,0,1,0,0,0|3,0,0]=4 17 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [0,0,1,0,0,0|3,0,0]=4 18 B7R0.3 CO[C@@H](C)CNCO ff28fd2c886f6ee1545aaf943963c99e [0,0,1,0,0,0|2,1,0]=4 19 B7R0.3 CO[C@H](C)CNCO ef2aaae2be2c576592de749a4d18a6e8 [0,0,1,0,0,0|2,1,0]=4 20 B7R0.3 C[C@@H](CO)NCCO f533b151726db8df114b2e138c242e75 [0,0,1,0,0,0|2,1,0]=4 21 B7R0.3 C[C@H](CO)NCCO 57e737113b903a53b0864be81471f1e6 [0,0,1,0,0,0|2,1,0]=4 22 B7R0.3 C[C@H](CS)OCCF e802a848389fb605db8d861c1c53c8bb [0,0,1,0,0,0|2,1,0]=4 23 B7R0.3 C[C@H](CS)OCCS f4b2ba60b9ef84050b5c98d7dfd70389 [0,0,1,0,0,0|1,2,0]=4 24 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,0,1,0,0,0|1,0,2]=4 25 B7R0.3 OCNCC(O)CO ad4847d74dfd25e9300f25de22da97d8 [0,0,1,0,0,0|2,1,0]=4 26 B7R0.3 OCNC[C@@H](O)CO 6469a515a17b686ce644b12380429cda [0,0,1,0,0,0|2,1,0]=4 27 B7R0.3 OCNC[C@H](O)CO 89675afb1a2671c32b6a45a2d43885a6 [0,0,1,0,0,0|2,1,0]=4 28 B7R0.6 CC(C)NC[C@@H](C)O 78cb9f10bba40f82bff406bb1347d28d [0,0,1,0,0,0|3,0,0]=4 29 B7R0.6 CC(C)NC[C@H](C)O 0239ae5afc06334e0336f0743f1e175c [0,0,1,0,0,0|3,0,0]=4 30 B7R0.6 CC(O)CNC(C)C 67ac451099c111ca9b4a88e10960d432 [0,0,1,0,0,0|3,0,0]=4 31 B7R0.6 CC(S)COC(C)C 57c18a958d625f63860f9eb7db36a7e5 [0,0,1,0,0,0|2,1,0]=4 32 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [1,0,1,0,0,0|1,1,0]=4 33 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [1,0,1,0,0,0|1,1,0]=4 34 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [1,0,1,0,0,0|2,0,0]=4 35 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [1,0,1,0,0,0|2,0,0]=4 36 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [1,0,1,0,0,0|2,0,0]=4 37 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [1,0,1,0,0,0|1,1,0]=4 38 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [1,0,1,0,0,0|2,0,0]=4 39 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [1,0,1,0,0,0|1,0,0]=3 40 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,0,1,0,0,0|2,0,0]=4 41 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,0,1,0,0,0|2,0,0]=4 42 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,0,1,0,0,0|2,0,0]=4 43 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [1,0,1,0,0,0|1,1,0]=4 44 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [1,0,1,0,0,0|2,0,0]=4 45 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [1,0,1,0,0,0|1,0,0]=3 46 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [1,0,1,0,0,0|2,0,0]=4 47 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [1,0,1,0,0,0|1,0,0]=3 48 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [1,0,1,0,0,0|2,0,0]=4 49 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [1,0,1,0,0,0|2,0,0]=4 50 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [1,0,1,0,0,0|2,0,0]=4 51 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [1,0,1,0,0,0|1,1,0]=4 52 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [1,0,1,0,0,0|2,0,0]=4 53 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,0,1,0,0,0|1,1,0]=4 54 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [1,0,1,0,0,0|1,1,0]=4 55 B6R0.6 CSCCNCF f9e826d56784386e3fbd3943c2c335d4 [1,0,1,0,0,0|2,0,0]=4 56 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [1,0,1,0,0,0|1,0,0]=3 57 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [1,0,1,0,0,0|1,1,0]=4 58 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [1,0,1,0,0,0|2,0,0]=4 59 B6R0.6 FCCNCCS 5771e4e946cf04a10b11168c2a26cfba [1,0,1,0,0,0|2,0,0]=4 60 B6R0.6 FCCOCCS e5c5db3e08a0f53018e2b973416b7c32 [1,0,1,0,0,0|1,1,0]=4 61 B6R0.6 OCCNCCBr 0fc2af5bc6b566cb15b8698ad81d8a28 [1,0,1,0,0,0|2,0,0]=4 62 B6R0.6 OCCNCCF d8f328cc7923b202178773c12bcca59d [1,0,1,0,0,0|2,0,0]=4 63 B6R0.6 OCCNCCI 5ea510c923b7656c706e335f0707f13f [1,0,1,0,0,0|2,0,0]=4 64 B6R0.6 OCCNCCO 5ec55d5ff951afeb186b052871d5aed1 [1,0,1,0,0,0|1,1,0]=4 65 B6R0.6 OCCNCCS 3dc5bdb4440e31f22d01b06893c66b5e [1,0,1,0,0,0|1,0,0]=3 66 B6R0.6 SCCNCCBr c48d02c84e30a7b9706b2ad380ca4923 [1,0,1,0,0,0|2,0,0]=4 67 B6R0.6 SCCNCCI 36ec37d0883791420ffed69138b467d3 [1,0,1,0,0,0|2,0,0]=4 68 B6R0.6 SCCNCCS 69e177fa948b956df81550ba37304c74 [1,0,1,0,0,0|1,1,0]=4 69 B6R0.6 SCCOCCS 87c2cb04f9bb7dbaacc12a2547a6f936 [1,0,1,0,0,0|0,2,0]=4 70 B8R0.1 CCCC(O)CNCO 64eda460853947fa76aaab0ea9fa11c8 [0,1,1,0,0,0|2,0,0]=4 71 B8R0.1 COCC(O)CNCO e2f3cdf26236b8274acc1874eb0ec186 [0,1,1,0,0,0|1,1,0]=4 72 B8R0.1 COC[C@@H](O)CNCO 326134c725e2877382224239fb68963f [0,1,1,0,0,0|1,1,0]=4 73 B8R0.6 CCC(O)CNCCO 0f04ff5d22921fddd4b4780d1da4ee6b [0,1,1,0,0,0|2,0,0]=4 74 B8R0.6 CCC(O)CNCOC 7e726222b7d1cf65b1b34e06014a8122 [0,1,1,0,0,0|2,0,0]=4 75 B8R0.6 CC[C@@H](O)CNCCO 2d13f38d004c7cf2314b4c12b78a382f [0,1,1,0,0,0|2,0,0]=4 76 B8R0.6 CC[C@@H](O)CNCOC c15579c32ff0b418e45b4ce562e1544d [0,1,1,0,0,0|2,0,0]=4 77 B8R0.6 COCCOC(C)CS ea4c32bfc0f4d77a145474fd16da19d5 [0,1,1,0,0,0|1,1,0]=4 78 B8R0.6 COCCO[C@H](C)CS df8f906fe7e4e6345d305aaf2f4edd82 [0,1,1,0,0,0|1,1,0]=4 79 B8R0.6 OCCNCC(O)CF 055c6757713e7b161c53f55599d9e270 [0,1,1,0,0,0|2,0,0]=4 80 B8R0.6 OCCNCC(O)CO 2bd81f0952b437dd5d8c74e7e9498d67 [0,1,1,0,0,0|1,1,0]=4 81 B8R0.6 OCCNC[C@@H](O)CO 3a70652799d086adb423c669e6a10903 [0,1,1,0,0,0|1,1,0]=4 82 B8R0.6 OCCNC[C@H](O)CO 23828904787e116a56e14e243225b589 [0,1,1,0,0,0|1,1,0]=4 83 B8R0.6 OCNCCC(O)CO ab112e92fa7cfd97de47cb5c63a031d1 [0,1,1,0,0,0|1,1,0]=4 84 B8R0.8 CC(C)C(O)CNCO f409a810f32d0de494f8d587b41b69c6 [0,1,1,0,0,0|2,0,0]=4 85 B8R0.11 CCC(CO)CNCO f4ead70b83a1d6129f159796f4ac9db5 [0,1,1,0,0,0|2,0,0]=4 86 B8R0.11 CCC(CO)NCCO ed32f9961dc32ce448cdbe7b92adb26a [0,1,1,0,0,0|2,0,0]=4 87 B8R0.11 CC[C@@H](CO)NCCO 7b93a39872b6551b532bd6e8bbd5ec65 [0,1,1,0,0,0|2,0,0]=4 88 B8R0.11 CC[C@H](CO)NCCO e3d68c99acf76f3a4f2f6310cbcd4548 [0,1,1,0,0,0|2,0,0]=4 89 B8R0.11 COC(CNCO)OC 2fb56a2e7a21dba07ae226f06d05e8a9 [0,1,1,0,0,0|1,1,0]=4 90 B8R0.11 CO[C@@H](CO)CNCO d79d307765ac209b795ed9fd93cd025d [0,1,1,0,0,0|1,1,0]=4 91 B8R0.11 OCCNC(CO)CO 2a93ec5f68e9f4b5b98daf3f4b43b9ab [0,1,1,0,0,0|1,1,0]=4 92 B8R0.19 CCC(O)CN(C)CO 54fe76ed8fcd6451ff39e55c2b1e0de7 [0,1,1,0,0,0|2,0,0]=4 93 B8R0.25 CCC(C)(O)CNCO 9530219d75896d748ec189a8c2b5a9d7 [0,1,1,0,0,0|2,0,0]=4 94 B8R1.2 OCN1CCCSC1 29a305b970bef8ec6ed20eb90ae3d8b0 [1,1,0,0,0,0|2,0,0]=4 95 B8R1.1 OCN1CCC(C1)O 9bea44962414eb08c5c787d7845d9e4f [0,1,0,0,1,0|2,0,0]=4 96 B8R1.1 OCN1CC[C@@H](C1)O 8cff2485084eb573b880545a5c7bb462 [0,1,0,0,1,0|2,0,0]=4 97 B8R1.1 OCN1CC[C@H](C1)O 9a83745859226945baeca6641c8f0bfc [0,1,0,0,1,0|2,0,0]=4 98 B10R1.1 OCNC1CCC(CC1)O 563a1e3160aa08d43754abf204c4f93b [0,2,0,0,0,0|2,0,0]=4 99 B10R1.1 OCN[C@H]1CC[C@@H](CC1)O 72a8642bbc5861441fdeacab8df3982d [0,2,0,0,0,0|2,0,0]=4 100 B10R1.1 OCN[C@H]1CC[C@H](CC1)O f2d05954ab0e7cc9388ae785a7ea5f83 [0,2,0,0,0,0|2,0,0]=4 101 B8R1.10 OCNCC1CCO1 7a110527d20698bde50f934bce3d4932 [0,0,1,1,0,0|2,0,0]=4 102 B8R1.10 OCNC[C@@H]1CCO1 b20041b30672ace5c27bbb9dda06cfc8 [0,0,1,1,0,0|2,0,0]=4 103 B8R1.10 OCNC[C@H]1CCO1 fcef914adea36da0d3a6586531fd1531 [0,0,1,1,0,0|2,0,0]=4 104 B8R1.13 OCNC1CCC1O ee3d1ca48a3a8027104c31b638f55ef5 [0,0,1,1,0,0|2,0,0]=4 105 B8R1.13 OCN[C@@H]1CC[C@@H]1O fc73bae007c62d0d044e9a1d9eb62eb2 [0,0,1,1,0,0|2,0,0]=4 106 B8R1.13 OCN[C@@H]1CC[C@H]1O 06327c2896ffa6f771953b4ac9aab6b0 [0,0,1,1,0,0|2,0,0]=4 107 B8R1.13 OCN[C@H]1CC[C@@H]1O 7e11d05646534378fc00e5b3d5382683 [0,0,1,1,0,0|2,0,0]=4 108 B8R1.13 OCN[C@H]1CC[C@H]1O 6cb11bc302f667e46ffb6e15bc1b294f [0,0,1,1,0,0|2,0,0]=4 109 B8R1.41 OCNCC1(CC1)O 2c45e982eaef97c122bf698e531212fd [0,0,1,1,0,0|2,0,0]=4 110 B8R1.47 CSC1CN(C1)CO b0c032e9b228ef64abf41d3555db6ca0 [0,0,1,1,0,0|2,0,0]=4 111 B8R0.28 CC(O)CNCC(C)O 4a2a1f1df64d323049b6cc3bed5f7eec [0,0,1,0,0,1|2,0,0]=4 112 B8R0.28 CC(O)CNC[C@@H](C)O a13654c0e0b2e8824a94b55cc885b895 [0,0,1,0,0,1|2,0,0]=4 113 B8R0.28 CC(O)CNC[C@H](C)O bb487d5d5b847c9d75f817219d3b7658 [0,0,1,0,0,1|2,0,0]=4 114 B8R0.28 C[C@@H](O)CNC[C@@H](C)O 16696c158ac89d0a205b741acfd241ab [0,0,1,0,0,1|2,0,0]=4 115 B8R0.28 C[C@H](O)CNC[C@@H](C)O f1681b429c26c45959758bad686c97ff [0,0,1,0,0,1|2,0,0]=4 116 B8R0.28 C[C@H](O)CNC[C@H](C)O bcf7a2c6e4dddb3906509a8f040e6475 [0,0,1,0,0,1|2,0,0]=4