0 B6R0.6 C#CCCNCO f58b07d7d9bd44c0ad51ba7b834634f8 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCNCC#C d0090955a3f0d784972b14c43028fe6f [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C#CCNCC#N 367559dbe567c3cfa19be352f2e933f8 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.6 C#CCNCC=C 8a6691866f7ad7e25dfae0189494fb97 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.6 C#CCNCC=O 2d271f91af459c7d98ae98c96855a1c5 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.6 C#CCNCCBr ccd519e4e57e01a23fbf243cb150f841 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.6 C#CCNCCF ec678ba5f3a75a9139f485060c9fcb1f [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 C#CCNCCI dd31821af2502a2e5f32f9d52e751526 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.6 C#CCNCCO 124dd796c248fbe494ff9cd7edce009d [0,0,0,0,0,0|1,0,1]=2 10 B6R0.6 C#CCNCCS 46750995e1363421f0e6d401dbd0285f [0,0,0,0,0,0|1,1,1]=3 11 B6R0.6 C#CCNCOC 731060b1cc2efa280089844c9f08cb4b [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 C#CCNCSC 69915d57a8223b03b8361fb9c38f7a03 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.6 C#CCOCCF c62af05f9a9be4d9caeeb1a076d989b5 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.6 C#CCOCCS cdf5f7a6749fed2dbb996236fcf00c58 [0,0,0,0,0,0|2,1,1]=4 16 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [0,0,0,0,0,0|3,0,1]=4 17 B6R0.6 C=CCNCC#N e6dacd4b5043db0119c1a8003acadd33 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [0,0,0,0,0,0|2,0,1]=3 19 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [0,0,0,0,0,0|2,0,1]=3 22 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [0,0,0,0,0,0|1,0,1]=2 23 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [0,0,0,0,0,0|1,1,1]=3 24 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [0,0,0,0,0,0|2,1,1]=4 27 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [0,0,0,0,0,0|4,0,0]=4 29 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [0,0,0,0,0,0|4,0,0]=4 31 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [0,0,0,0,0,0|1,0,2]=3 34 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [0,0,0,0,0,0|2,0,0]=2 35 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [0,0,0,0,0,0|2,0,0]=2 37 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [0,0,0,0,0,0|1,0,0]=1 39 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [0,0,0,0,0,0|1,1,0]=2 40 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [0,0,0,0,0,0|3,0,0]=3 41 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [0,0,0,0,0,0|3,0,1]=4 43 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [0,0,0,0,0,0|3,0,0]=3 45 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [0,0,0,0,0,0|2,1,0]=3 47 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [0,0,0,0,0,0|4,0,0]=4 48 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [0,0,0,0,0,0|4,0,0]=4 49 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [0,0,0,0,0,0|4,0,0]=4 50 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [0,0,0,0,0,0|4,0,0]=4 52 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [0,0,0,0,0,0|3,1,0]=4 53 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [0,0,0,0,0,0|4,0,0]=4 54 B6R0.6 COCNCC#N d7534ed2d124b74839dfe7c51cb3eb01 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.6 COCNCCBr cc0c7490b746ceca79f01407d355ea03 [0,0,0,0,0,0|3,0,0]=3 56 B6R0.6 COCNCCF 2f29adbcc69c16fb45653c78fbf21233 [0,0,0,0,0,0|3,0,0]=3 57 B6R0.6 COCNCCI 397b4e96463dc133fb2c78ebc9b4b8aa [0,0,0,0,0,0|3,0,0]=3 58 B6R0.6 COCNCCO d157601c59ef2c697e67935359e46769 [0,0,0,0,0,0|2,0,0]=2 59 B6R0.6 COCNCCS 786afdf72bf335f5d127e835a740393a [0,0,0,0,0,0|2,1,0]=3 60 B6R0.6 COCOCCF 2e4d69c3ff16b703ccfaad8173ebee7c [0,0,0,0,0,0|4,0,0]=4 61 B6R0.6 COCOCCS fcfa81efb868e68483c1465ed07af8f4 [0,0,0,0,0,0|3,1,0]=4 62 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [0,0,0,0,0,0|4,0,0]=4 63 B6R0.6 CSCNCC#N 078cbee6de3daa83b37e1cc1437722ce [0,0,0,0,0,0|3,0,1]=4 64 B6R0.6 CSCNCCBr bcad065c861badf94807934e6680f65f [0,0,0,0,0,0|3,0,0]=3 65 B6R0.6 CSCNCCF 80c1e887cd7ee5f3261a9c98dd841f62 [0,0,0,0,0,0|3,0,0]=3 66 B6R0.6 CSCNCCI d531c5e507282acb11ff5d835981aa6c [0,0,0,0,0,0|3,0,0]=3 67 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [0,0,0,0,0,0|2,0,0]=2 68 B6R0.6 CSCNCCS b1c5df5844cf8935aabb3648e61465f2 [0,0,0,0,0,0|2,1,0]=3 69 B6R0.6 CSCOCCF 79adbc24d28c875ba839b99727b1e512 [0,0,0,0,0,0|4,0,0]=4 70 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [0,0,0,0,0,0|3,1,0]=4 71 B6R0.6 FCCCOCF 0d2e96eb165fd76b18d8df4690900872 [0,0,0,0,0,0|4,0,0]=4 72 B6R0.6 FCCNCCBr c0dd83437a27180e7ee1639145895f8f [0,0,0,0,0,0|2,0,0]=2 73 B6R0.6 FCCNCCF 6bada8e319adf5ac09144c46a4ecaa71 [0,0,0,0,0,0|2,0,0]=2 74 B6R0.6 FCCNCCI 6f97b887bfc0689337515f90a40660b8 [0,0,0,0,0,0|2,0,0]=2 75 B6R0.6 FCCNCCS 5771e4e946cf04a10b11168c2a26cfba [0,0,0,0,0,0|1,1,0]=2 76 B6R0.6 FCCOCCF 834b8c77ba6896712d1d6af7c59dbfbc [0,0,0,0,0,0|3,0,0]=3 77 B6R0.6 FCCOCCS e5c5db3e08a0f53018e2b973416b7c32 [0,0,0,0,0,0|2,1,0]=3 78 B6R0.6 FCNCCCCl 44349a2e6a1b6f1dc0f8b9fd71ed7936 [0,0,0,0,0,0|4,0,0]=4 79 B6R0.6 FCOCCCS d4006571dbef2280a4ff5f23f38e7165 [0,0,0,0,0,0|3,1,0]=4 80 B6R0.6 N#CCCNCO f13d0ed253562d12e073016f87b36d51 [0,0,0,0,0,0|3,0,1]=4 81 B6R0.6 N#CCNCC#N 5dcde6d8783eabb1b36379ed58080a30 [0,0,0,0,0,0|2,0,2]=4 82 B6R0.6 N#CCNCC=O 93c0064fad5c9e69de8dec7109df1460 [0,0,0,0,0,0|1,0,3]=4 83 B6R0.6 N#CCNCCBr 0446408ac67472c3f117afedda925721 [0,0,0,0,0,0|2,0,1]=3 84 B6R0.6 N#CCNCCF 0fe01b7623bdbba61bc54c723f18d11d [0,0,0,0,0,0|2,0,1]=3 85 B6R0.6 N#CCNCCI c8669caeb20984eb6f57893dbdc4deb7 [0,0,0,0,0,0|2,0,1]=3 86 B6R0.6 N#CCNCCO 02ac8da78bc91b463ae8a1a8af800d30 [0,0,0,0,0,0|1,0,1]=2 87 B6R0.6 N#CCNCCS 201b825e41b67b3a3f0d1ddd78e09500 [0,0,0,0,0,0|1,1,1]=3 88 B6R0.6 N#CCOCCF a1053cc79ef9f30ddeb27ec16b94a5ba [0,0,0,0,0,0|3,0,1]=4 89 B6R0.6 N#CCOCCS 0fd93ad5ad6ac5ec81f01766264bbfba [0,0,0,0,0,0|2,1,1]=4 90 B6R0.6 N#CNCCCO 25dc7b5f5ac7b192bc9c580017fb28a4 [0,0,0,0,0,0|3,0,1]=4 91 B6R0.6 NOCCNCO 0cc9440611ac9dd9d9295e962a3dd39a [0,0,0,0,0,0|4,0,0]=4 92 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [0,0,0,0,0,0|1,0,2]=3 93 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [0,0,0,0,0,0|1,0,2]=3 94 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [0,0,0,0,0,0|1,0,2]=3 95 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [0,0,0,0,0,0|0,0,2]=2 96 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [0,0,0,0,0,0|0,1,2]=3 97 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [0,0,0,0,0,0|2,0,2]=4 98 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [0,0,0,0,0,0|1,1,2]=4 99 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [0,0,0,0,0,0|2,0,2]=4 100 B6R0.6 OCCCNCF d0f340a016e65bbf382f89af7024bb1f [0,0,0,0,0,0|3,0,0]=3 101 B6R0.6 OCCCNCO 61393d5d06c9202c0b94fa047d6ff099 [0,0,0,0,0,0|2,0,0]=2 102 B6R0.6 OCCNCCBr 0fc2af5bc6b566cb15b8698ad81d8a28 [0,0,0,0,0,0|1,0,0]=1 103 B6R0.6 OCCNCCF d8f328cc7923b202178773c12bcca59d [0,0,0,0,0,0|1,0,0]=1 104 B6R0.6 OCCNCCI 5ea510c923b7656c706e335f0707f13f [0,0,0,0,0,0|1,0,0]=1 105 B6R0.6 OCCNCCO 5ec55d5ff951afeb186b052871d5aed1 [0,0,0,0,0,0|0,0,0]=0 106 B6R0.6 OCCNCCS 3dc5bdb4440e31f22d01b06893c66b5e [0,0,0,0,0,0|0,1,0]=1 107 B6R0.6 OCNCCCCl b5a3a94f1af195c7e59393df3fce5e89 [0,0,0,0,0,0|3,0,0]=3 108 B6R0.6 SCCNCCBr c48d02c84e30a7b9706b2ad380ca4923 [0,0,0,0,0,0|1,1,0]=2 109 B6R0.6 SCCNCCI 36ec37d0883791420ffed69138b467d3 [0,0,0,0,0,0|1,1,0]=2 110 B6R0.6 SCCNCCS 69e177fa948b956df81550ba37304c74 [0,0,0,0,0,0|0,2,0]=2 111 B6R0.6 SCCOCCS 87c2cb04f9bb7dbaacc12a2547a6f936 [0,0,0,0,0,0|1,2,0]=3 112 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [1,0,0,0,0,0|1,0,1]=3 113 B5R0.2 C#CCNCF 03b6945ac7c354bb4bd745a72a8c3a24 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.2 C#CCNCO 4bb795bb5acae202fad43479b44be9dd [1,0,0,0,0,0|1,0,1]=3 115 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,0,0,0,0,0|2,0,1]=4 116 B5R0.2 CCCNC#N e55413a0eea711c89a0029efe46eb0b1 [1,0,0,0,0,0|2,0,1]=4 117 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,0,0,0,0|1,0,2]=4 118 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,0,0,0,0,0|1,0,0]=2 119 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,0,0,0,0,0|1,0,0]=2 121 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,0,0,0,0,0|2,0,0]=3 122 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,0,0,0,0,0|3,0,0]=4 123 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [1,0,0,0,0,0|1,0,1]=3 124 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,0,0,0,0,0|1,0,0]=2 125 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,0,0,0,0,0|1,0,0]=2 126 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,0,0,0,0,0|1,0,0]=2 127 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,0,0,0,0,0|0,0,0]=1 128 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,0,0,0,0,0|0,1,0]=2 129 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,0,0,0,0,0|2,0,0]=3 131 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,0,0,0,0,0|1,1,0]=3 132 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,0,0,0,0,0|3,0,0]=4 133 B5R0.2 FCCNCF 3f146e38f81fa4f5bf67d0f4217d666d [1,0,0,0,0,0|2,0,0]=3 134 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.2 FCNCCBr ebb4ae71bfedb68f39fc2b9156885a92 [1,0,0,0,0,0|2,0,0]=3 136 B5R0.2 FCNCCI 6147f2646233ff1a06aa8fb273c4329d [1,0,0,0,0,0|2,0,0]=3 137 B5R0.2 FCNCCS ce51a6a3077027e3188387d313defd97 [1,0,0,0,0,0|1,1,0]=3 138 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [1,0,0,0,0,0|2,1,0]=4 139 B5R0.2 N#CCNCF 16901c333c15c02c0d34825b6b9ccb23 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.2 N#CCNCO fd324670c11604d36c8ad9c950822402 [1,0,0,0,0,0|1,0,1]=3 141 B5R0.2 N#CNCCF e4f929564511bdc0425e713012cd3079 [1,0,0,0,0,0|2,0,1]=4 142 B5R0.2 N#CNCCO 4fe025328d8e2b561fe449e861e4b637 [1,0,0,0,0,0|1,0,1]=3 143 B5R0.2 N#CNCCS acd2c3aea28fc33dac0673fcfba0648d [1,0,0,0,0,0|1,1,1]=4 144 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,0,0,0,0,0|1,0,2]=4 145 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,0,0,0,0,0|1,0,2]=4 146 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,0,0,0,0,0|1,0,2]=4 147 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,0,0,0,0,0|0,0,2]=3 148 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,0,0,0,0,0|0,1,2]=4 149 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [1,0,0,0,0,0|1,0,0]=2 150 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [1,0,0,0,0,0|0,0,0]=1 151 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [1,0,0,0,0,0|1,0,0]=2 152 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [1,0,0,0,0,0|1,0,0]=2 153 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [1,0,0,0,0,0|1,0,0]=2 154 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [1,0,0,0,0,0|0,1,0]=2 155 B7R0.1 C#CCCCNCO a9ed8c717b7ee1e1fd8d7809a5e484b3 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.1 C#CCCNCC#C 39aac1c7f6dad12b02efbc63385d7bc4 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.1 C#CCCNCC#N 3ebb607300191496270bcaa98dce967d [0,1,0,0,0,0|2,0,1]=4 158 B7R0.1 C#CCCNCC=C d90d94f7d315e0166250ba5af8ae469e [0,1,0,0,0,0|2,0,1]=4 159 B7R0.1 C#CCCNCC=O 16b88da3a2d7872fd426d7c300d70129 [0,1,0,0,0,0|1,0,2]=4 160 B7R0.1 C#CCCNCCBr 2c308029fae4f5312dbe405df3cf13f6 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.1 C#CCCNCCC 985891a1be5b6df9332ec92fc8ba9705 [0,1,0,0,0,0|2,0,0]=3 162 B7R0.1 C#CCCNCCF 4f5f193a02d8fdf7dd67ec2f2011b686 [0,1,0,0,0,0|2,0,0]=3 163 B7R0.1 C#CCCNCCI 6ee11ccbad19459df259d42cb58f5ef6 [0,1,0,0,0,0|2,0,0]=3 164 B7R0.1 C#CCCNCCO 3bc2f77fd57a27fb406b56574c907f90 [0,1,0,0,0,0|1,0,0]=2 165 B7R0.1 C#CCCNCCS 2844ea5783fe3646d976561013aace98 [0,1,0,0,0,0|1,1,0]=3 166 B7R0.1 C#CCCNCOC cf9396d670d650e4fa45a4ba8287b654 [0,1,0,0,0,0|3,0,0]=4 167 B7R0.1 C#CCCNCSC 24780502d7fb634d7ea44608e3cda9c1 [0,1,0,0,0,0|3,0,0]=4 168 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [0,1,0,0,0,0|3,0,0]=4 169 B7R0.1 C#CCCOCCF cad37c818c142f7d736f92359c1451d0 [0,1,0,0,0,0|3,0,0]=4 170 B7R0.1 C#CCCOCCS f5dfe7ea8cd7100b3a222a3ec7f9a19c [0,1,0,0,0,0|2,1,0]=4 171 B7R0.1 C#CCNC/C=C\O 23261137ac1aedbd5dc376cde1e9a9ce [0,1,0,0,0,0|1,0,2]=4 172 B7R0.1 C#CCNCCC#N 04562ce6ee789ab6e4d628df2c6d6855 [0,1,0,0,0,0|2,0,1]=4 173 B7R0.1 C#CCNCCC=C 6db24e9c2d55a0af81323c8318489a10 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.1 C#CCNCCC=O aa50e43a719e790522524abe3f128d7c [0,1,0,0,0,0|1,0,2]=4 175 B7R0.1 C#CCNCCCC 2174997efa32a525ba69ce874ecd5c71 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.1 C#CCNCCCCl 5c9c271bcb88c7f56d489e4a793e8621 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.1 C#CCNCCCF 279bd861169915910381757eeb364012 [0,1,0,0,0,0|2,0,1]=4 178 B7R0.1 C#CCNCCCO 34019e78f76c1559b140c0ea5596ecd8 [0,1,0,0,0,0|1,0,1]=3 179 B7R0.1 C#CCNCCCS c1f69a0bf63fe9081ded0a29bd679e0b [0,1,0,0,0,0|1,1,1]=4 180 B7R0.1 C#CCNCCOC 997335a34ef003d48d244a0ddba27e07 [0,1,0,0,0,0|1,0,1]=3 181 B7R0.1 C#CCNCCON d1e911a0283c111df1143d241156a037 [0,1,0,0,0,0|1,0,1]=3 182 B7R0.1 C#CCNCCSC 7293bf2b9aa9b78de8f9c249a2d32afe [0,1,0,0,0,0|1,1,1]=4 183 B7R0.1 C#CCNCOCC 791a5055b6dadf02042aec9a3a94990f [0,1,0,0,0,0|2,0,1]=4 184 B7R0.1 C#CCOCCOC ab714bdf8184b88d0365ec20253b9510 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.1 C/C=C/CNCCBr 0973e2b64729bb539cd2e104815f0a1e [0,1,0,0,0,0|2,0,1]=4 186 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,1,0,0,0,0|2,0,1]=4 187 B7R0.1 C/C=C/CNCCF f085a093091954347c84796f9e590679 [0,1,0,0,0,0|2,0,1]=4 188 B7R0.1 C/C=C/CNCCI 6e2f39f1ea26ddc6f2e5f5437b7b5147 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.1 C/C=C/CNCCO 46233ffdd427019cbe6b11058a9a63af [0,1,0,0,0,0|1,0,1]=3 190 B7R0.1 C/C=C/CNCCS cbe1191a636e587cc6acf9b0c2835c4f [0,1,0,0,0,0|1,1,1]=4 191 B7R0.1 C/C=C\CNCCBr 43447af300404a2f54008c49dfec8dc2 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.1 C/C=C\CNCCF 7ac625c3fe945e4d8cde9b24bc493aa5 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.1 C/C=C\CNCCI c38330e1ccc4f355ab41780a7fe57a98 [0,1,0,0,0,0|2,0,1]=4 195 B7R0.1 C/C=C\CNCCO e483151d6d53004ee90a0eb1d13c2feb [0,1,0,0,0,0|1,0,1]=3 196 B7R0.1 C/C=C\CNCCS ad4d662c019814c813c98720bb3b4190 [0,1,0,0,0,0|1,1,1]=4 197 B7R0.1 C=CCCCNCO bc1d764ba3fbc6d320ac3a3650c1927a [0,1,0,0,0,0|2,0,1]=4 198 B7R0.1 C=CCCNCC#N a332b7f37f49d54a58efe2c542b996ff [0,1,0,0,0,0|2,0,1]=4 199 B7R0.1 C=CCCNCC=C ed28868ac318a2b10127bb777ccfd9d8 [0,1,0,0,0,0|2,0,1]=4 200 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [0,1,0,0,0,0|1,0,2]=4 201 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [0,1,0,0,0,0|2,0,0]=3 202 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,1,0,0,0,0|2,0,0]=3 203 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [0,1,0,0,0,0|2,0,0]=3 204 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [0,1,0,0,0,0|2,0,0]=3 205 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [0,1,0,0,0,0|1,0,0]=2 206 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [0,1,0,0,0,0|1,1,0]=3 207 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [0,1,0,0,0,0|3,0,0]=4 208 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,1,0,0,0,0|3,0,0]=4 210 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [0,1,0,0,0,0|3,0,0]=4 211 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [0,1,0,0,0,0|2,1,0]=4 212 B7R0.1 C=CCNCCC#N ebe6ef4017e88e939a746deb0ffff8ba [0,1,0,0,0,0|2,0,1]=4 213 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,1,0,0,0,0|2,0,1]=4 214 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,1,0,0,0,0|1,0,1]=3 216 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [0,1,0,0,0,0|1,0,1]=3 217 B7R0.1 C=CCNCCON d6a2b5d5e4daf1b2d12e175eb47f6f94 [0,1,0,0,0,0|1,0,1]=3 218 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,1,0,0,0,0|1,1,1]=4 219 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.1 CC#CCNCCC 4b414b3d9a07af6bbc361621c1ca05f6 [0,1,0,0,0,0|2,0,1]=4 221 B7R0.1 CC#CCNCCF 01d48c161e79f77f95ae22b22084d06a [0,1,0,0,0,0|2,0,1]=4 222 B7R0.1 CC#CCNCCO 2843afe4d746cf0fa7225c6f04363618 [0,1,0,0,0,0|1,0,1]=3 223 B7R0.1 CC#CCNCCS 902f9c9631e817d5cba87698e69fda34 [0,1,0,0,0,0|1,1,1]=4 224 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.1 CC=CCNCCF 88c3a17803925ef7e1d460e3befc957c [0,1,0,0,0,0|2,0,1]=4 226 B7R0.1 CC=CCNCCO 93f2efc2ffb774dced82bd601d90a1f7 [0,1,0,0,0,0|1,0,1]=3 227 B7R0.1 CC=CCNCCS 300a3760c2e53e00dc20e7259093b271 [0,1,0,0,0,0|1,1,1]=4 228 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [0,1,0,0,0,0|3,0,0]=4 229 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [0,1,0,0,0,0|3,0,0]=4 230 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [0,1,0,0,0,0|2,0,0]=3 231 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [0,1,0,0,0,0|3,0,0]=4 232 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [0,1,0,0,0,0|3,0,0]=4 233 B7R0.1 CCCCNCC#N 076f54c0f29c99fe6d3ed9b29d359907 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,1,0,0,0,0|1,0,2]=4 235 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [0,1,0,0,0,0|2,0,0]=3 236 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [0,1,0,0,0,0|2,0,0]=3 237 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [0,1,0,0,0,0|2,0,0]=3 238 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [0,1,0,0,0,0|2,0,0]=3 239 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [0,1,0,0,0,0|1,0,0]=2 240 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [0,1,0,0,0,0|1,1,0]=3 241 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [0,1,0,0,0,0|3,0,0]=4 242 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [0,1,0,0,0,0|3,0,0]=4 243 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [0,1,0,0,0,0|3,0,0]=4 244 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [0,1,0,0,0,0|3,0,0]=4 245 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [0,1,0,0,0,0|2,1,0]=4 246 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [0,1,0,0,0,0|3,0,0]=4 247 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [0,1,0,0,0,0|2,0,1]=4 249 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,1,0,0,0,0|1,0,1]=3 250 B7R0.1 CCCNCCC#N e1599a2501e5939a529641f13b21e273 [0,1,0,0,0,0|2,0,0]=3 251 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,1,0,0,0,0|1,0,1]=3 252 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [0,1,0,0,0,0|2,0,0]=3 253 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [0,1,0,0,0,0|2,0,0]=3 254 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [0,1,0,0,0,0|1,0,0]=2 255 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [0,1,0,0,0,0|1,1,0]=3 256 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [0,1,0,0,0,0|1,0,0]=2 257 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [0,1,0,0,0,0|1,0,0]=2 258 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [0,1,0,0,0,0|1,1,0]=3 259 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [0,1,0,0,0,0|2,0,0]=3 260 B7R0.1 CCCNCSC#N 13544467129ba8b8d400327b8930a043 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [0,1,0,0,0,0|3,0,0]=4 262 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,1,0,0,0,0|2,0,1]=4 263 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [0,1,0,0,0,0|3,0,0]=4 264 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [0,1,0,0,0,0|2,1,0]=4 265 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [0,1,0,0,0,0|2,0,0]=3 266 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [0,1,0,0,0,0|2,1,0]=4 267 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [0,1,0,0,0,0|3,0,0]=4 268 B7R0.1 CCNCC#CCO 2a230a707d45398877d952a6edd37a82 [0,1,0,0,0,0|2,0,1]=4 269 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [0,1,0,0,0,0|3,0,0]=4 270 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [0,1,0,0,0,0|2,0,0]=3 271 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [0,1,0,0,0,0|2,1,0]=4 272 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [0,1,0,0,0,0|3,0,0]=4 273 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [0,1,0,0,0,0|3,0,0]=4 274 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [0,1,0,0,0,0|2,1,0]=4 275 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [0,1,0,0,0,0|3,0,0]=4 276 B7R0.1 CCOCCNCO e2eefbd861380598dec880b760814d85 [0,1,0,0,0,0|3,0,0]=4 277 B7R0.1 CCOCNCC#N 9018c9c6715e14ea9bdce32253585916 [0,1,0,0,0,0|2,0,1]=4 278 B7R0.1 CCOCNCCBr 1827db2361912a3e925649aba42666a5 [0,1,0,0,0,0|2,0,0]=3 279 B7R0.1 CCOCNCCF b62ef1c74f3a371f515bff0f94e4a986 [0,1,0,0,0,0|2,0,0]=3 280 B7R0.1 CCOCNCCI dfc16f7c8e4cd71609ed0df3faf045e6 [0,1,0,0,0,0|2,0,0]=3 281 B7R0.1 CCOCNCCO f221c34d35f484f7601137254b505360 [0,1,0,0,0,0|1,0,0]=2 282 B7R0.1 CCOCNCCS 61cac2ef7667a598f9431aaf8578ce69 [0,1,0,0,0,0|1,1,0]=3 283 B7R0.1 CCOCOCCS f026d3a8c3aa4a6570f751e16a6f3578 [0,1,0,0,0,0|2,1,0]=4 284 B7R0.1 CCSCCNCO d46776a8ac8e806badbf181dbecaf11f [0,1,0,0,0,0|3,0,0]=4 285 B7R0.1 COCCCNCF 0de913c50fcf952c40c1eb9acd73fe8a [0,1,0,0,0,0|3,0,0]=4 286 B7R0.1 COCCCNCO 7f15d3e78e16ebdbf4dea7c28747923f [0,1,0,0,0,0|2,0,0]=3 287 B7R0.1 COCCCOCF 383f82bc810c552636ded41a86a82688 [0,1,0,0,0,0|3,0,0]=4 288 B7R0.1 COCCNCC#N eb0c03abb6091d3cacb87bad68b043b8 [0,1,0,0,0,0|1,0,1]=3 289 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [0,1,0,0,0,0|0,0,2]=3 290 B7R0.1 COCCNCCBr 2c0ba12fa96886ef5fdb5581980e28f1 [0,1,0,0,0,0|1,0,0]=2 291 B7R0.1 COCCNCCF 6ecb1cffa67194968eb41c79846d8012 [0,1,0,0,0,0|1,0,0]=2 292 B7R0.1 COCCNCCI ed8d29688d82e189aba9361797d463b8 [0,1,0,0,0,0|1,0,0]=2 293 B7R0.1 COCCNCCO fc530150283f0a9894550a64892a4dcb [0,1,0,0,0,0|0,0,0]=1 294 B7R0.1 COCCNCCS c0a317f4b6286b56fe7eca7ac272c8f5 [0,1,0,0,0,0|0,1,0]=2 295 B7R0.1 COCCNCOC 480d61e36aa567c09ff8b4ee22ba8fb7 [0,1,0,0,0,0|2,0,0]=3 296 B7R0.1 COCCNCSC 72ab39c075daf29b6ecad1caa1c97854 [0,1,0,0,0,0|2,0,0]=3 297 B7R0.1 COCCOCC#N b90956fc2162334882ae018cf0cd9999 [0,1,0,0,0,0|2,0,1]=4 298 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [0,1,0,0,0,0|1,0,2]=4 299 B7R0.1 COCCOCCF d9d67c9b64f4650916e8f6b281251603 [0,1,0,0,0,0|2,0,0]=3 300 B7R0.1 COCCOCCS 8f2426725fd10f0093a25980f3885bf6 [0,1,0,0,0,0|1,1,0]=3 301 B7R0.1 COCCOCOC 3ee644b2e59bd74fbd558211d7299c19 [0,1,0,0,0,0|3,0,0]=4 302 B7R0.1 COCCOCSC 5c26bae9265ce5a87c900f7aa15dfe78 [0,1,0,0,0,0|3,0,0]=4 303 B7R0.1 COCNCCC#N cc2251ff8ea941c024cd02b8a471dad3 [0,1,0,0,0,0|3,0,0]=4 304 B7R0.1 COCNCCCCl e11c6750f379b7dd0f2aa8aa12ea432c [0,1,0,0,0,0|3,0,0]=4 305 B7R0.1 COCNCCCO 514e51520c1fb8a1d3be4a389b10ee42 [0,1,0,0,0,0|2,0,0]=3 306 B7R0.1 COCNCCON e818b1642f9d5633402b5da4d1790fea [0,1,0,0,0,0|2,0,0]=3 307 B7R0.1 COCNCCSC 006b3262e1fae93890055c509edc01aa [0,1,0,0,0,0|2,1,0]=4 308 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [0,1,0,0,0,0|3,0,0]=4 309 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [0,1,0,0,0,0|2,1,0]=4 310 B7R0.1 CSCCCNCO 0e35ff7cab5ce9b5f1fe3019d22ea16e [0,1,0,0,0,0|2,1,0]=4 311 B7R0.1 CSCCNCC#N ca692066b238f6a34d0bef0e2933c568 [0,1,0,0,0,0|1,1,1]=4 312 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [0,1,0,0,0,0|0,1,2]=4 313 B7R0.1 CSCCNCCBr 0df0dd2a1b52ee00d918cc43b8e9fbfc [0,1,0,0,0,0|1,1,0]=3 314 B7R0.1 CSCCNCCF 1052905f572f53fc13be5d31c94895b3 [0,1,0,0,0,0|1,1,0]=3 315 B7R0.1 CSCCNCCI 071ae319a95453665d95a4320be239f1 [0,1,0,0,0,0|1,1,0]=3 316 B7R0.1 CSCCNCCO 98ea2c21875828fd22fee65d8b2ac707 [0,1,0,0,0,0|0,1,0]=2 317 B7R0.1 CSCCNCCS bdb5b2bb4b62742eac983ce8d1d9f54f [0,1,0,0,0,0|0,2,0]=3 318 B7R0.1 CSCCNCSC c95d7134a711d4b488bdbefe6ca5bba2 [0,1,0,0,0,0|2,1,0]=4 319 B7R0.1 CSCCOCCF 6604e59cd9a52c5fe3d0c09fe9af7e44 [0,1,0,0,0,0|2,1,0]=4 320 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [0,1,0,0,0,0|1,2,0]=4 321 B7R0.1 CSCNCCC#N eb7c18cf854451f5500c3dd1bd6398f5 [0,1,0,0,0,0|3,0,0]=4 322 B7R0.1 CSCNCCCCl 51dabe46130ddcc5de8ce75223aaf6fb [0,1,0,0,0,0|3,0,0]=4 323 B7R0.1 CSCNCCCO f55eebe3b8375230b40b6450474c6b2b [0,1,0,0,0,0|2,0,0]=3 324 B7R0.1 CSCNCCON f945713b8e9f4296ef67e0e0bee29bdc [0,1,0,0,0,0|2,0,0]=3 325 B7R0.1 Cl/C=C/CNCCBr a898c9c27585bc3f60539dac3c0676de [0,1,0,0,0,0|2,0,1]=4 326 B7R0.1 Cl/C=C/CNCCI 00a1dbdade9235bd22d961e7e472f561 [0,1,0,0,0,0|2,0,1]=4 327 B7R0.1 Cl/C=C\CNCCBr 5f9e738d1cd916d21483c573b3f77f77 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.1 Cl/C=C\CNCCI e11b10ba04c65ae9ec95fcacb63f0157 [0,1,0,0,0,0|2,0,1]=4 329 B7R0.1 FCCCCOCF aa349be2c27536d4cce8f169856f8ad3 [0,1,0,0,0,0|3,0,0]=4 330 B7R0.1 FCCCNCCBr 91600bc23ccdce017338e995a8c500e3 [0,1,0,0,0,0|2,0,0]=3 331 B7R0.1 FCCCNCCF 4d3919857ed95a42257c5d4363064175 [0,1,0,0,0,0|2,0,0]=3 332 B7R0.1 FCCCNCCI 1b37e2336b8934153a10fbca0dcac08a [0,1,0,0,0,0|2,0,0]=3 333 B7R0.1 FCCCNCCS aa9cf5baa1390498a4d22fc5bb56f9a3 [0,1,0,0,0,0|1,1,0]=3 334 B7R0.1 FCCCOCCF fca0942a564795f2da96aa3bdfc98a19 [0,1,0,0,0,0|3,0,0]=4 335 B7R0.1 FCCCOCCS 81bc46547292bbd00e5f82ac34ad84ba [0,1,0,0,0,0|2,1,0]=4 336 B7R0.1 FCCNC/C=C/Cl b7b23ef958164209035bee1843d8e204 [0,1,0,0,0,0|2,0,1]=4 337 B7R0.1 FCCNC/C=C\Cl 65ef3070ca813d4e1121d72cff14c99e [0,1,0,0,0,0|2,0,1]=4 338 B7R0.1 FCCNCCCCl 66a40627c901d99d34adccc931cea448 [0,1,0,0,0,0|2,0,0]=3 339 B7R0.1 FCCNCCCS 1b80d3c194b1768a056ab7f50165e404 [0,1,0,0,0,0|1,1,0]=3 340 B7R0.1 FCCOCCCS c8ba8fe92c3ea035b23c022cec48d645 [0,1,0,0,0,0|2,1,0]=4 341 B7R0.1 FCNCCCCCl 1f62d148cf28827af64f05ab47d8a0d1 [0,1,0,0,0,0|3,0,0]=4 342 B7R0.1 FCNCCCCS 20de7e7c5ad02c9ab73f0feca6604233 [0,1,0,0,0,0|2,1,0]=4 343 B7R0.1 FCOCCCCS 2a152d1f18d97aad9e2418d39187145d [0,1,0,0,0,0|2,1,0]=4 344 B7R0.1 N#CCCCNCO 5c0d2266f0898fe9160186844f3620ff [0,1,0,0,0,0|2,0,1]=4 345 B7R0.1 N#CCCNCC#N fd58d80dd9a65dee2e391ab2ddd306a2 [0,1,0,0,0,0|2,0,1]=4 346 B7R0.1 N#CCCNCC=O ace8d58a49015f6f4f2a2096c27596fb [0,1,0,0,0,0|1,0,2]=4 347 B7R0.1 N#CCCNCCBr 766e1679a78d579ddb7bc856cb5a929d [0,1,0,0,0,0|2,0,0]=3 348 B7R0.1 N#CCCNCCF bc7b3dfb7edae9ab7c7366b4782defc9 [0,1,0,0,0,0|2,0,0]=3 349 B7R0.1 N#CCCNCCI 0d66de89ca12501e3829bfb29e984d68 [0,1,0,0,0,0|2,0,0]=3 350 B7R0.1 N#CCCNCCO 1637f5afa2121e3ef5b132c03408ea0f [0,1,0,0,0,0|1,0,0]=2 351 B7R0.1 N#CCCNCCS 4e7ddebfb5f62ddd7b7f24b7ab183b45 [0,1,0,0,0,0|1,1,0]=3 352 B7R0.1 N#CCCOCCF c2245ac04b4ed21d4611d8407215019c [0,1,0,0,0,0|3,0,0]=4 353 B7R0.1 N#CCCOCCS 5da7e76cd18cac10a7d2e2086ebead76 [0,1,0,0,0,0|2,1,0]=4 354 B7R0.1 N#CCNC/C=C\O 456e001429587e091dd97d7dd898cf04 [0,1,0,0,0,0|1,0,2]=4 355 B7R0.1 N#CCNCCC=O 9377fb179983a3f31de3cd31892e8272 [0,1,0,0,0,0|1,0,2]=4 356 B7R0.1 N#CCNCCCCl 32c8ddf5121a62d37792f26f283a5412 [0,1,0,0,0,0|2,0,1]=4 357 B7R0.1 N#CCNCCCF e866cd5c080968efadf88b59dc1a8a68 [0,1,0,0,0,0|2,0,1]=4 358 B7R0.1 N#CCNCCCO 096b3fdf56b864457e81281fda450e8d [0,1,0,0,0,0|1,0,1]=3 359 B7R0.1 N#CCNCCCS abeed03b2458f68a81ef6d1caa8a7822 [0,1,0,0,0,0|1,1,1]=4 360 B7R0.1 N#CCNCCON 85c6cd38021212987ae83c163c21a6f3 [0,1,0,0,0,0|1,0,1]=3 361 B7R0.1 N#CNCCCCO 5d8d2e101890ae37736cc18e998548c9 [0,1,0,0,0,0|2,0,1]=4 362 B7R0.1 N#CSCNCCBr b235194bda45447e9c7afe08c0f7f05b [0,1,0,0,0,0|2,0,1]=4 363 B7R0.1 N#CSCNCCF 4eb6d90bc72897897875da74ea9b54c0 [0,1,0,0,0,0|2,0,1]=4 364 B7R0.1 N#CSCNCCI 513d55425b277eaeea5926e945b3c12a [0,1,0,0,0,0|2,0,1]=4 365 B7R0.1 N#CSCNCCO b95d82e4e133cdda33fed131bb7848cc [0,1,0,0,0,0|1,0,1]=3 366 B7R0.1 N#CSCNCCS a134ce0bb61bb187001bcf6e95ef6dd6 [0,1,0,0,0,0|1,1,1]=4 367 B7R0.1 NOCCNCC=O d5b2df80c78a07217edb4574fec6b418 [0,1,0,0,0,0|0,0,2]=3 368 B7R0.1 NOCCNCCF 9155179455f286a04fa8d7e0b1373ae4 [0,1,0,0,0,0|1,0,0]=2 369 B7R0.1 NOCCNCCO 316ac866d29370b4f25aba7013bd8afb [0,1,0,0,0,0|0,0,0]=1 370 B7R0.1 NOCCNCCS 36a77034ae90d4309a8810f6f29ee88c [0,1,0,0,0,0|0,1,0]=2 371 B7R0.1 O/C=C\CNCCBr 78bf6909c3dee8af6d6cdaed4572acf8 [0,1,0,0,0,0|1,0,1]=3 372 B7R0.1 O/C=C\CNCCF 4dd7dedef3f23a2dff56fd2bf610c971 [0,1,0,0,0,0|1,0,1]=3 373 B7R0.1 O/C=C\CNCCI 45e0f365c7fdd440595555325ab875e7 [0,1,0,0,0,0|1,0,1]=3 374 B7R0.1 O/C=C\CNCCO 0f4453c48d586f05dd8b7bb8855f7abb [0,1,0,0,0,0|0,0,1]=2 375 B7R0.1 O/C=C\CNCCS 85de73db1b0a9675523938141a7b3b56 [0,1,0,0,0,0|0,1,1]=3 376 B7R0.1 O=CCCNCCBr 291f019ce3bf899c9d2e33793b2b93f1 [0,1,0,0,0,0|1,0,1]=3 377 B7R0.1 O=CCCNCCF 03b16d128f405ac3e0d050695aad18fa [0,1,0,0,0,0|1,0,1]=3 378 B7R0.1 O=CCCNCCI 98b4f0ed1ee425ed4236063d3f41c320 [0,1,0,0,0,0|1,0,1]=3 379 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [0,1,0,0,0,0|0,0,1]=2 380 B7R0.1 O=CCCNCCS 2c7d16d16b489acd0898d35ca2ec1288 [0,1,0,0,0,0|0,1,1]=3 381 B7R0.1 O=CCCOCCF 799d4b07b5e7a35b60f3a0c45dcb8147 [0,1,0,0,0,0|2,0,1]=4 382 B7R0.1 O=CCCOCCS 5ca5a4b308c3272ba99d0c42e8ac625b [0,1,0,0,0,0|1,1,1]=4 383 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [0,1,0,0,0,0|1,0,2]=4 384 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [0,1,0,0,0,0|0,0,2]=3 385 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [0,1,0,0,0,0|1,0,2]=4 386 B7R0.1 OCC#CCNCF 9fb3443bbdb8ee3646af5fd610840a46 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.1 OCC#CCNCO 38cf5d81a397c328b8b6b8c290d3dc06 [0,1,0,0,0,0|1,0,1]=3 388 B7R0.1 OCCCCNCF 7e26da81cb202e81f9fa6935013ff164 [0,1,0,0,0,0|2,0,0]=3 389 B7R0.1 OCCCCNCO 3308a62177334006d69e4e812a481bb1 [0,1,0,0,0,0|1,0,0]=2 390 B7R0.1 OCCCNCCBr 298f76d93b4a56118785c24aabe36d03 [0,1,0,0,0,0|1,0,0]=2 391 B7R0.1 OCCCNCCF 160ffea2dd40155e84c24124da4d3bb5 [0,1,0,0,0,0|1,0,0]=2 392 B7R0.1 OCCCNCCI b0caa3b33126ba633de191e5b27be25d [0,1,0,0,0,0|1,0,0]=2 393 B7R0.1 OCCCNCCO b7e543e706324c7668084e51d2ac83f2 [0,1,0,0,0,0|0,0,0]=1 394 B7R0.1 OCCCNCCS a78d7d11eead19ac41bdcdfaa23aa4c3 [0,1,0,0,0,0|0,1,0]=2 395 B7R0.1 OCCNC/C=C/Cl cae43086b9ac4b7eeca23dcc586cee54 [0,1,0,0,0,0|1,0,1]=3 396 B7R0.1 OCCNC/C=C\Cl f9fe1454ccf622f841e9c6f545c3d7f2 [0,1,0,0,0,0|1,0,1]=3 397 B7R0.1 OCCNCCCCl 10a4c88cfa54a10eeb2391e86b7e00e5 [0,1,0,0,0,0|1,0,0]=2 398 B7R0.1 OCCNCCCF 91fb92031bfde2e9db842bc4e4a8eee4 [0,1,0,0,0,0|1,0,0]=2 399 B7R0.1 OCCNCCCS c5d3e46e0ec074044c852191bd32ce81 [0,1,0,0,0,0|0,1,0]=2 400 B7R0.1 OCNCCCCCl ca8e2c827cdc1f4b61ee0f17daccc9f0 [0,1,0,0,0,0|2,0,0]=3 401 B7R0.1 OCNCCCCS 703d007b8ef355c907943572af1839f8 [0,1,0,0,0,0|1,1,0]=3 402 B7R0.1 SCCCNCCBr c76d64532c3c4e30b8e88db0eb0574e0 [0,1,0,0,0,0|1,1,0]=3 403 B7R0.1 SCCCNCCI 9c2dc60770e500e6ef6356d791aa9449 [0,1,0,0,0,0|1,1,0]=3 404 B7R0.1 SCCCNCCS 6da2f9a140fa6ffc40782d51ddbbf523 [0,1,0,0,0,0|0,2,0]=3 405 B7R0.1 SCCCOCCS 51e8e4f1171e572a4260dbc376b0f4f6 [0,1,0,0,0,0|1,2,0]=4 406 B7R0.1 SCCNC/C=C/Cl 58611a5a7bd77ac2c4a64663c742d1ef [0,1,0,0,0,0|1,1,1]=4 407 B7R0.1 SCCNC/C=C\Cl c85523c5f50163c82350c1ac2d0a1c6d [0,1,0,0,0,0|1,1,1]=4 408 B7R0.1 SCCNCCCCl f754f13d7aad8b18d312c4be1245ea2e [0,1,0,0,0,0|1,1,0]=3 409 B7R0.3 C#CC(=O)NCCO c110abd6360d09a8f1de8aab1b75fd14 [0,1,0,0,0,0|1,0,2]=4 410 B7R0.3 C#CC(C)NCCBr 9f42b4006e47fe369c2f3107df33b480 [0,1,0,0,0,0|2,0,1]=4 411 B7R0.3 C#CC(C)NCCC 0f597b1bca0c5618e6a85d1db7ea6731 [0,1,0,0,0,0|2,0,1]=4 412 B7R0.3 C#CC(C)NCCF fd51cf145bf51fb8f190e2a94657f5ec [0,1,0,0,0,0|2,0,1]=4 413 B7R0.3 C#CC(C)NCCI af50158c9b957a00bc39c9afdd4565fc [0,1,0,0,0,0|2,0,1]=4 414 B7R0.3 C#CC(C)NCCO bbba0c1d2ecd1db2e38885169cb41ae5 [0,1,0,0,0,0|1,0,1]=3 415 B7R0.3 C#CC(C)NCCS b58af2565a34ae4c8683d861488fa2fd [0,1,0,0,0,0|1,1,1]=4 416 B7R0.3 C#CCNC(=O)CO 2c93e118ea6c2ce38cf0db5343c819bd [0,1,0,0,0,0|1,0,2]=4 417 B7R0.3 C#CCNC(C)CC 1c8cf786a7bf62a91e9eb3f09e0e4cb9 [0,1,0,0,0,0|2,0,1]=4 418 B7R0.3 C#CCNC(C)CO e217aadc6ae2184f287cc75033468347 [0,1,0,0,0,0|1,0,1]=3 419 B7R0.3 C#CCN[C@@H](C)CC 48b5b4e4c3419c4d390c7be2cfb833e7 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.3 C#CCN[C@@H](C)CO be23745c4a1394ef26cd9ad9ba61e848 [0,1,0,0,0,0|1,0,1]=3 421 B7R0.3 C#CCN[C@H](C)CC 301aa888349cf4ee28848f6c9d611572 [0,1,0,0,0,0|2,0,1]=4 422 B7R0.3 C#CCN[C@H](C)CO d868e6c27f5fba5003a802e374564049 [0,1,0,0,0,0|1,0,1]=3 423 B7R0.3 C#C[C@@H](C)NCCC 27ba225c67029d8236c87fc6721fad3a [0,1,0,0,0,0|2,0,1]=4 424 B7R0.3 C#C[C@@H](C)NCCF e0c1990c39ed030f0d8b393a1e64d078 [0,1,0,0,0,0|2,0,1]=4 425 B7R0.3 C#C[C@@H](C)NCCO e9414cfb46cc033f4806e66f84d2f19c [0,1,0,0,0,0|1,0,1]=3 426 B7R0.3 C#C[C@@H](C)NCCS da71f9d45152d302b76aca07f2f11d0d [0,1,0,0,0,0|1,1,1]=4 427 B7R0.3 C#C[C@H](C)NCCC 870e3ac73d57aa9963af4d33ccaf86fd [0,1,0,0,0,0|2,0,1]=4 428 B7R0.3 C#C[C@H](C)NCCF 91841d87b09af0e4d1ea5c7e42ff8931 [0,1,0,0,0,0|2,0,1]=4 429 B7R0.3 C#C[C@H](C)NCCO 1a07e9f5216c88dd837e816c5c857fca [0,1,0,0,0,0|1,0,1]=3 430 B7R0.3 C#C[C@H](C)NCCS ad5eb5d5c390d7b62d5a78c32a63c091 [0,1,0,0,0,0|1,1,1]=4 431 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,1,0,0,0,0|1,0,2]=4 432 B7R0.3 C=CC(C)NCCBr b356883a0dc70704108470357c5d7d32 [0,1,0,0,0,0|2,0,1]=4 433 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,1,0,0,0,0|2,0,1]=4 434 B7R0.3 C=CC(C)NCCF 077bbc22cd0a8dcb78cded6a2db45aa7 [0,1,0,0,0,0|2,0,1]=4 435 B7R0.3 C=CC(C)NCCI ac7ae81e417980ca8ecb87af514042e3 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [0,1,0,0,0,0|1,0,1]=3 437 B7R0.3 C=CC(C)NCCS f0ada7e973c6d56f24d465f4dbaba074 [0,1,0,0,0,0|1,1,1]=4 438 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [0,1,0,0,0,0|2,0,1]=4 439 B7R0.3 C=CCNC(C)CO a948e20f9bd4754ec87302b6fdce81b3 [0,1,0,0,0,0|1,0,1]=3 440 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [0,1,0,0,0,0|2,0,1]=4 441 B7R0.3 C=CCN[C@@H](C)CO e3ac2dff9fa8b94ad1bb6f4b16ad0799 [0,1,0,0,0,0|1,0,1]=3 442 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [0,1,0,0,0,0|2,0,1]=4 443 B7R0.3 C=CCN[C@H](C)CO 45438ab57072f0e042c82a4659374125 [0,1,0,0,0,0|1,0,1]=3 444 B7R0.3 CC(C#N)NCCF 6450985545dd0e0dd5088eee8ecc2f46 [0,1,0,0,0,0|2,0,1]=4 445 B7R0.3 CC(C#N)NCCI 54ae9bb95a89c9caa452fd5f086326eb [0,1,0,0,0,0|2,0,1]=4 446 B7R0.3 CC(C#N)NCCO 55b7405319dad98407f3509b935a08d4 [0,1,0,0,0,0|1,0,1]=3 447 B7R0.3 CC(C#N)NCCS adfd8836ca4622423073fd00e5aa980d [0,1,0,0,0,0|1,1,1]=4 448 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [0,1,0,0,0,0|1,0,2]=4 449 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [0,1,0,0,0,0|1,0,2]=4 450 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [0,1,0,0,0,0|1,0,2]=4 451 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,1,0,0,0,0|0,0,2]=3 452 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,1,0,0,0,0|0,1,2]=4 453 B7R0.3 CC(CF)OCCF 61970d4a8d2156da592b0c1d02226f38 [0,1,0,0,0,0|3,0,0]=4 454 B7R0.3 CC(CF)OCCS 1b0e427f947de38ae03c6161eb7f3753 [0,1,0,0,0,0|2,1,0]=4 455 B7R0.3 CC(CO)CNCF 8062cd63b1d1a450c851a630bc24bbef [0,1,0,0,0,0|3,0,0]=4 456 B7R0.3 CC(CO)CNCO 21fb23aa708a9b1afe928be1d7d3777a [0,1,0,0,0,0|2,0,0]=3 457 B7R0.3 CC(CO)NCC#N c15c6c891d1b54cfdcadaff4df95022a [0,1,0,0,0,0|1,0,1]=3 458 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [0,1,0,0,0,0|0,0,2]=3 459 B7R0.3 CC(CO)NCCBr 9d4fd176b9f7156afcd17616b9df73f4 [0,1,0,0,0,0|1,0,0]=2 460 B7R0.3 CC(CO)NCCF 3fb2f9d7a1fb44ff3a81b0f43c3cecd1 [0,1,0,0,0,0|1,0,0]=2 461 B7R0.3 CC(CO)NCCI 5c0bfbc53939f51e926c19c25f286c71 [0,1,0,0,0,0|1,0,0]=2 462 B7R0.3 CC(CO)NCCO 5cd093cef9425d970f2779cfd472d185 [0,1,0,0,0,0|0,0,0]=1 463 B7R0.3 CC(CO)NCCS 7e1b4b642ac91e5af00fd08799aa6e2e [0,1,0,0,0,0|0,1,0]=2 464 B7R0.3 CC(CS)OCCF 5a14cb2acfb2d6d25be1b8f12b44b6ed [0,1,0,0,0,0|2,1,0]=4 465 B7R0.3 CC(CS)OCCS 4c5a0494234ba5cfb20d857e8ce0ca08 [0,1,0,0,0,0|1,2,0]=4 466 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,1,0,0,0,0|2,0,1]=4 467 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,1,0,0,0,0|2,0,1]=4 468 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,1,0,0,0,0|2,0,1]=4 469 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,1,0,0,0,0|1,0,1]=3 470 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,1,0,0,0,0|1,1,1]=4 471 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,1,0,0,0,0|3,0,0]=4 472 B7R0.3 CCC(C)NCC#N 9dccc3b7b0f5034900215eb41b1410b6 [0,1,0,0,0,0|2,0,1]=4 473 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [0,1,0,0,0,0|1,0,2]=4 474 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [0,1,0,0,0,0|2,0,0]=3 475 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [0,1,0,0,0,0|2,0,0]=3 476 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [0,1,0,0,0,0|2,0,0]=3 477 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,1,0,0,0,0|1,0,0]=2 478 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [0,1,0,0,0,0|1,1,0]=3 479 B7R0.3 CCC(C)NCOC 7706fa764743624f662862fda01b7a28 [0,1,0,0,0,0|3,0,0]=4 480 B7R0.3 CCC(C)NCSC c04eb7da5ed0a2a03e68485c2016666a [0,1,0,0,0,0|3,0,0]=4 481 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,1,0,0,0,0|3,0,0]=4 482 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,1,0,0,0,0|2,1,0]=4 483 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [0,1,0,0,0,0|3,0,0]=4 484 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [0,1,0,0,0,0|3,0,0]=4 485 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,1,0,0,0,0|2,0,1]=4 486 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,1,0,0,0,0|2,0,1]=4 487 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,1,0,0,0,0|1,0,1]=3 488 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,1,0,0,0,0|1,1,1]=4 489 B7R0.3 CCCNC(C)C#N e68d5a808283376392b45cfe49aa2551 [0,1,0,0,0,0|2,0,1]=4 490 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [0,1,0,0,0,0|1,0,2]=4 491 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,1,0,0,0,0|2,0,0]=3 492 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [0,1,0,0,0,0|1,0,0]=2 493 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,1,0,0,0,0|2,0,0]=3 494 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [0,1,0,0,0,0|1,0,0]=2 495 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [0,1,0,0,0,0|1,0,2]=4 496 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,1,0,0,0,0|2,0,0]=3 497 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [0,1,0,0,0,0|1,0,0]=2 498 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,1,0,0,0,0|3,0,0]=4 499 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [0,1,0,0,0,0|3,0,0]=4 500 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [0,1,0,0,0,0|2,1,0]=4 501 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,1,0,0,0,0|3,0,0]=4 502 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,1,0,0,0,0|3,0,0]=4 503 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [0,1,0,0,0,0|2,1,0]=4 504 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [0,1,0,0,0,0|3,0,0]=4 505 B7R0.3 CCNCC(C)CO ded6e5c82cb05dc8e16cf8630e1ca3b5 [0,1,0,0,0,0|3,0,0]=4 506 B7R0.3 CCNCC(F)CO 117f22342a13aa75ee6537d043ca9a79 [0,1,0,0,0,0|3,0,0]=4 507 B7R0.3 CCNCC(O)CO 912f6e9829a436a31980d4e7e51ccc17 [0,1,0,0,0,0|3,0,0]=4 508 B7R0.3 CCNC[C@@H](F)CO 67c2661f5a7f3a3662b0ed433a86c18e [0,1,0,0,0,0|3,0,0]=4 509 B7R0.3 CCNC[C@@H](O)CO 3dd3012db0550f06ef7a0ae24c6afc49 [0,1,0,0,0,0|3,0,0]=4 510 B7R0.3 CCNC[C@H](C)CO ef051a7bca96170e9f6bad04a99231e7 [0,1,0,0,0,0|3,0,0]=4 511 B7R0.3 CCNC[C@H](F)CO f2842022ba0aab28ac2537444b2b8a9e [0,1,0,0,0,0|3,0,0]=4 512 B7R0.3 CCNC[C@H](O)CO f2bf6c02d84b0a754d29868d7e541576 [0,1,0,0,0,0|3,0,0]=4 513 B7R0.3 CC[C@@H](C)NCC#N 349bbcd477486d683d830b5721177924 [0,1,0,0,0,0|2,0,1]=4 514 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [0,1,0,0,0,0|1,0,2]=4 515 B7R0.3 CC[C@@H](C)NCCF 93d07692499e3b9aec2552214e2ff53f [0,1,0,0,0,0|2,0,0]=3 516 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [0,1,0,0,0,0|1,0,0]=2 517 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [0,1,0,0,0,0|1,1,0]=3 518 B7R0.3 CC[C@@H](C)NCOC 6f18e43812c50f5929ea1f0282d55276 [0,1,0,0,0,0|3,0,0]=4 519 B7R0.3 CC[C@@H](C)NCSC b2ccc0121f9ed49266567b6f15a655a0 [0,1,0,0,0,0|3,0,0]=4 520 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,1,0,0,0,0|3,0,0]=4 521 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,1,0,0,0,0|2,1,0]=4 522 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [0,1,0,0,0,0|3,0,0]=4 523 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [0,1,0,0,0,0|3,0,0]=4 524 B7R0.3 CC[C@H](C)NCC#N 79fe87b82bd2f5a7dcac84c0d29fce58 [0,1,0,0,0,0|2,0,1]=4 525 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [0,1,0,0,0,0|1,0,2]=4 526 B7R0.3 CC[C@H](C)NCCF c11007e79ee49cb1e974e79b53eb68c8 [0,1,0,0,0,0|2,0,0]=3 527 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [0,1,0,0,0,0|1,0,0]=2 528 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [0,1,0,0,0,0|1,1,0]=3 529 B7R0.3 CC[C@H](C)NCOC 487baefd593a366fd401fe5a0b33d07a [0,1,0,0,0,0|3,0,0]=4 530 B7R0.3 CC[C@H](C)NCSC b4999c020810a33e4d86f949175dda2d [0,1,0,0,0,0|3,0,0]=4 531 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,1,0,0,0,0|3,0,0]=4 532 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,1,0,0,0,0|2,1,0]=4 533 B7R0.3 CN(CF)CCCO d4f0b34db0d9c626af3b938b320480ee [0,1,0,0,0,0|3,0,0]=4 534 B7R0.3 CN(CO)CCCO 50d216450d408b356dcec2a42a299a65 [0,1,0,0,0,0|2,0,0]=3 535 B7R0.3 COCNC(C)CO d9fc4f8dca5bf8aac173b2beda690449 [0,1,0,0,0,0|2,0,0]=3 536 B7R0.3 COCN[C@@H](C)CO 9f63bce992902a4f83c57ec0b08063e7 [0,1,0,0,0,0|2,0,0]=3 537 B7R0.3 COCN[C@H](C)CO c2d3c8f32c0c9b24129dc2255add4931 [0,1,0,0,0,0|2,0,0]=3 538 B7R0.3 CSCNC(C)CO 6d4e5438054fc7d727ab269c682f1f18 [0,1,0,0,0,0|2,0,0]=3 539 B7R0.3 CSCN[C@@H](C)CO 902809602258c785ac8e71bdd59c992c [0,1,0,0,0,0|2,0,0]=3 540 B7R0.3 CSCN[C@H](C)CO a6e9f797fabfba51a16375762c3c5872 [0,1,0,0,0,0|2,0,0]=3 541 B7R0.3 C[C@@H](CO)NCC#N d8554bf09d9bf0f3b9c5c96f6682e84c [0,1,0,0,0,0|1,0,1]=3 542 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [0,1,0,0,0,0|0,0,2]=3 543 B7R0.3 C[C@@H](CO)NCCBr 5bfdda3a2e7eed27dfaa991ff0ef97da [0,1,0,0,0,0|1,0,0]=2 544 B7R0.3 C[C@@H](CO)NCCF c52aa10a04722f940d2009fa7a4930ad [0,1,0,0,0,0|1,0,0]=2 545 B7R0.3 C[C@@H](CO)NCCI 6bdc75e50c6dc3234bc69f090327544f [0,1,0,0,0,0|1,0,0]=2 546 B7R0.3 C[C@@H](CO)NCCO f533b151726db8df114b2e138c242e75 [0,1,0,0,0,0|0,0,0]=1 547 B7R0.3 C[C@@H](CO)NCCS 7391d6153b1cb03960b0fd4a99934217 [0,1,0,0,0,0|0,1,0]=2 548 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [0,1,0,0,0,0|1,0,2]=4 549 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [0,1,0,0,0,0|1,0,2]=4 550 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [0,1,0,0,0,0|1,0,2]=4 551 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [0,1,0,0,0,0|0,0,2]=3 552 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [0,1,0,0,0,0|0,1,2]=4 553 B7R0.3 C[C@H](CO)CNCF f5548f2764a66a9258eff90a77f81616 [0,1,0,0,0,0|3,0,0]=4 554 B7R0.3 C[C@H](CO)CNCO e7c0a7e8a9580f5a7445a0921a5a0780 [0,1,0,0,0,0|2,0,0]=3 555 B7R0.3 C[C@H](CO)NCC#N eeac0d90e9037dcf16f1babdaf474c04 [0,1,0,0,0,0|1,0,1]=3 556 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [0,1,0,0,0,0|0,0,2]=3 557 B7R0.3 C[C@H](CO)NCCBr cfab7907db9e63f890c879384e24e5b4 [0,1,0,0,0,0|1,0,0]=2 558 B7R0.3 C[C@H](CO)NCCF cb91bb5edb2a0c63c570d34f11071d1c [0,1,0,0,0,0|1,0,0]=2 559 B7R0.3 C[C@H](CO)NCCI 7e2db315aeaaac49480cb09083a749f2 [0,1,0,0,0,0|1,0,0]=2 560 B7R0.3 C[C@H](CO)NCCO 57e737113b903a53b0864be81471f1e6 [0,1,0,0,0,0|0,0,0]=1 561 B7R0.3 C[C@H](CO)NCCS ca2eaea9731c563c60cf01430832dca9 [0,1,0,0,0,0|0,1,0]=2 562 B7R0.3 C[C@H](CS)OCCF e802a848389fb605db8d861c1c53c8bb [0,1,0,0,0,0|2,1,0]=4 563 B7R0.3 C[C@H](CS)OCCS f4b2ba60b9ef84050b5c98d7dfd70389 [0,1,0,0,0,0|1,2,0]=4 564 B7R0.3 N#CCNC(=O)CO 8dbd9904ced2105da92f338ff81f2cd3 [0,1,0,0,0,0|1,0,2]=4 565 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,1,0,0,0,0|2,0,1]=4 566 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,1,0,0,0,0|2,0,1]=4 567 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,1,0,0,0,0|2,0,1]=4 568 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,1,0,0,0,0|1,0,1]=3 569 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,1,0,0,0,0|1,1,1]=4 570 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,1,0,0,0,0|1,0,1]=3 571 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,1,0,0,0,0|1,0,1]=3 572 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,1,0,0,0,0|1,0,1]=3 573 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,1,0,0,0,0|0,0,1]=2 574 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,1,0,0,0,0|0,1,1]=3 575 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,1,0,0,0,0|1,1,1]=4 576 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,1,0,0,0,0|1,1,1]=4 577 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,1,0,0,0,0|1,1,1]=4 578 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,1,0,0,0,0|0,1,1]=3 579 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,1,0,0,0,0|0,2,1]=4 580 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,1,0,0,0,0|0,0,3]=4 581 B7R0.3 OCC(F)CNCF 607206b62b5f23920999166b86623bd5 [0,1,0,0,0,0|3,0,0]=4 582 B7R0.3 OCC(O)CNCF 54971f62d7287b56e74fe02f927edb77 [0,1,0,0,0,0|3,0,0]=4 583 B7R0.3 OCNCC(Br)CBr 7725489d16006f372c378046176c1017 [0,1,0,0,0,0|3,0,0]=4 584 B7R0.3 OCNCC(F)CO d003daa9df0bedf54497bab67e067e4d [0,1,0,0,0,0|2,0,0]=3 585 B7R0.3 OCNCC(O)CO ad4847d74dfd25e9300f25de22da97d8 [0,1,0,0,0,0|2,0,0]=3 586 B7R0.3 OCNC[C@@H](F)CO a28128c9f2e18b65078fba4a8d404dfa [0,1,0,0,0,0|2,0,0]=3 587 B7R0.3 OCNC[C@@H](O)CO 6469a515a17b686ce644b12380429cda [0,1,0,0,0,0|2,0,0]=3 588 B7R0.3 OCNC[C@H](F)CO 1d5b8cea390941ee3134c3e285008ef4 [0,1,0,0,0,0|2,0,0]=3 589 B7R0.3 OCNC[C@H](O)CO 89675afb1a2671c32b6a45a2d43885a6 [0,1,0,0,0,0|2,0,0]=3 590 B7R0.3 OC[C@@H](F)CNCF 3aebdfd263b5ec6aa79bef613f450fad [0,1,0,0,0,0|3,0,0]=4 591 B7R0.3 OC[C@@H](O)CNCF 1a0547f242500a499661bc379e80c14b [0,1,0,0,0,0|3,0,0]=4 592 B7R0.3 OC[C@H](F)CNCF a1aedce676f9a92f11db3a848c02f5ec [0,1,0,0,0,0|3,0,0]=4 593 B7R0.3 OC[C@H](O)CNCF 46f2aba6770b910f7cb8b43985603267 [0,1,0,0,0,0|3,0,0]=4 594 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [0,1,0,0,0,0|1,0,2]=4 595 B7R0.4 C#CCNCC(C)C 211a4a57c09fb23261da854e91255de6 [0,1,0,0,0,0|2,0,1]=4 596 B7R0.4 C#CCNCC(C)O f4d872dd00b0a2e0a49423bedd0911d9 [0,1,0,0,0,0|1,0,1]=3 597 B7R0.4 C#CCNCC(F)F c41ef654cfa18d53c0e687e146b5c950 [0,1,0,0,0,0|2,0,1]=4 598 B7R0.4 C#CCNC[C@@H](C)O 48ca2cffdb002fd4c5435c3cab817ac3 [0,1,0,0,0,0|1,0,1]=3 599 B7R0.4 C#CCNC[C@H](C)O 3540d80288db26ec22a5ecfb25fe8093 [0,1,0,0,0,0|1,0,1]=3 600 B7R0.4 C=C(Br)CNCCBr a2af0ee62ca630ae997fcbeaeff3ecd2 [0,1,0,0,0,0|2,0,1]=4 601 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [0,1,0,0,0,0|2,0,1]=4 602 B7R0.4 C=C(Br)CNCCF bdffe3c671a0357e35ee82ddc2a4b0c6 [0,1,0,0,0,0|2,0,1]=4 603 B7R0.4 C=C(Br)CNCCI 4f584c60421c6beb30ceb5a392863e01 [0,1,0,0,0,0|2,0,1]=4 604 B7R0.4 C=C(Br)CNCCO 00225027954a340a3118d5c001a92b30 [0,1,0,0,0,0|1,0,1]=3 605 B7R0.4 C=C(Br)CNCCS dca08c6fd8d32a0e9dbeabff228c3836 [0,1,0,0,0,0|1,1,1]=4 606 B7R0.4 C=C(C)CNCCBr 2a71f14abd6d980bb31a1c9bc14c70f0 [0,1,0,0,0,0|2,0,1]=4 607 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,1,0,0,0,0|2,0,1]=4 608 B7R0.4 C=C(C)CNCCF 147c63cc249cacaac64968cb85a45eaf [0,1,0,0,0,0|2,0,1]=4 609 B7R0.4 C=C(C)CNCCI 5db841d6ee2087586757d7c691268e13 [0,1,0,0,0,0|2,0,1]=4 610 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [0,1,0,0,0,0|1,0,1]=3 611 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [0,1,0,0,0,0|1,1,1]=4 612 B7R0.4 C=C(Cl)CNCCBr 4c903b5932a03e4f5653cd57667fc373 [0,1,0,0,0,0|2,0,1]=4 613 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [0,1,0,0,0,0|2,0,1]=4 614 B7R0.4 C=C(Cl)CNCCF d37e8a2e77cb5d4ae23c734a326ed96f [0,1,0,0,0,0|2,0,1]=4 615 B7R0.4 C=C(Cl)CNCCI 9ea850a83a4ec71e5e79dc8899c3ed82 [0,1,0,0,0,0|2,0,1]=4 616 B7R0.4 C=C(Cl)CNCCO 6a611a7eb068d7dde6e67ecabe81bad2 [0,1,0,0,0,0|1,0,1]=3 617 B7R0.4 C=C(Cl)CNCCS c3d4b5e9deb92301fa96d0a10ab7e0a9 [0,1,0,0,0,0|1,1,1]=4 618 B7R0.4 C=C(F)CNCCBr a95231baef5e5cc0c38c7177c04d4cb2 [0,1,0,0,0,0|2,0,1]=4 619 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [0,1,0,0,0,0|2,0,1]=4 620 B7R0.4 C=C(F)CNCCF 3c9599d455fab8f8b1b7798a035b518b [0,1,0,0,0,0|2,0,1]=4 621 B7R0.4 C=C(F)CNCCI 3acf03f3fc80bbf3bcc0b632080eb4d2 [0,1,0,0,0,0|2,0,1]=4 622 B7R0.4 C=C(F)CNCCO 9267c34bfc2d6383ea073c0636587814 [0,1,0,0,0,0|1,0,1]=3 623 B7R0.4 C=C(F)CNCCS 93ef00bb86767141facd92bc2b3d3770 [0,1,0,0,0,0|1,1,1]=4 624 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [0,1,0,0,0,0|1,0,2]=4 625 B7R0.4 C=CCNCC(C)C 7f73adb711a665b808680f9f4e975092 [0,1,0,0,0,0|2,0,1]=4 626 B7R0.4 C=CCNCC(C)O dde411813044e811a6123a529ae27585 [0,1,0,0,0,0|1,0,1]=3 627 B7R0.4 C=CCNCC(F)F 1d072db205b9140c91fec3489087820a [0,1,0,0,0,0|2,0,1]=4 628 B7R0.4 C=CCNC[C@@H](C)O ec4536a6022457f632f6d265caa69d4d [0,1,0,0,0,0|1,0,1]=3 629 B7R0.4 C=CCNC[C@H](C)O 42afe3d5f35955757d07afc6e0f5adfa [0,1,0,0,0,0|1,0,1]=3 630 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,1,0,0,0,0|1,0,2]=4 631 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,1,0,0,0,0|0,0,2]=3 632 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,1,0,0,0,0|0,1,2]=4 633 B7R0.4 CC(C)CCNCO 55d154c6198aa4781c1600237013f9c3 [0,1,0,0,0,0|3,0,0]=4 634 B7R0.4 CC(C)CNCC#N adf92d7ae9fba28ad17a528a9bd32f1b [0,1,0,0,0,0|2,0,1]=4 635 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [0,1,0,0,0,0|1,0,2]=4 636 B7R0.4 CC(C)CNCCBr 92559cb2ebacf0b0f5c92d38f861f670 [0,1,0,0,0,0|2,0,0]=3 637 B7R0.4 CC(C)CNCCF 14de296bc1a413c56debcce38ccc407f [0,1,0,0,0,0|2,0,0]=3 638 B7R0.4 CC(C)CNCCI 0dda19f31a767f7ffd847981f58c8b5f [0,1,0,0,0,0|2,0,0]=3 639 B7R0.4 CC(C)CNCCO bc40b3ae5c3a6adde3dd753071b81161 [0,1,0,0,0,0|1,0,0]=2 640 B7R0.4 CC(C)CNCCS 0f3531c02e7e4d73732ad308afcb17e1 [0,1,0,0,0,0|1,1,0]=3 641 B7R0.4 CC(C)COCCF 83bb949d8c551562556937d0600d6efb [0,1,0,0,0,0|3,0,0]=4 642 B7R0.4 CC(C)COCCS 84ea4ff8f634d7739886cdbaa6625a00 [0,1,0,0,0,0|2,1,0]=4 643 B7R0.4 CC(C)NCCCO 8da9f776dfc6acc6ee817ae96d2c50e4 [0,1,0,0,0,0|3,0,0]=4 644 B7R0.4 CC(F)COCCF 116a6a3052c8de49db4f34ae9008ac78 [0,1,0,0,0,0|3,0,0]=4 645 B7R0.4 CC(F)COCCS 8d2984085a69d91abfeadd49afaeec93 [0,1,0,0,0,0|2,1,0]=4 646 B7R0.4 CC(O)CCNCF 89c40e30e417fcb37a374a94c2ef248d [0,1,0,0,0,0|3,0,0]=4 647 B7R0.4 CC(O)CCNCO 9f501543a06bdc8213f2c63cd9b34692 [0,1,0,0,0,0|2,0,0]=3 648 B7R0.4 CC(O)CNCC#N c277ed23b2388d99b8c551bcc91bf2d2 [0,1,0,0,0,0|1,0,1]=3 649 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [0,1,0,0,0,0|0,0,2]=3 650 B7R0.4 CC(O)CNCCBr 154eb4d8643396dfb29e9b52415c8302 [0,1,0,0,0,0|1,0,0]=2 651 B7R0.4 CC(O)CNCCF 8d5077fa916d6fe4d2601be7b7e92fe0 [0,1,0,0,0,0|1,0,0]=2 652 B7R0.4 CC(O)CNCCI 066a03933ac8e01fd84516db90bd80b4 [0,1,0,0,0,0|1,0,0]=2 653 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [0,1,0,0,0,0|0,0,0]=1 654 B7R0.4 CC(O)CNCCS 460faff2bd822e3fb542bd4f386088ee [0,1,0,0,0,0|0,1,0]=2 655 B7R0.4 CC(S)COCCF c5074ee60aeb4c30ed588360445a5de7 [0,1,0,0,0,0|2,1,0]=4 656 B7R0.4 CC(S)COCCS 0983b2499bf7b6b754e79e2d709efcf5 [0,1,0,0,0,0|1,2,0]=4 657 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,1,0,0,0,0|1,0,2]=4 658 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,1,0,0,0,0|1,0,2]=4 659 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,1,0,0,0,0|1,0,1]=3 660 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [0,1,0,0,0,0|2,0,0]=3 661 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [0,1,0,0,0,0|1,0,0]=2 662 B7R0.4 CCCNCC(F)F 9022d4eca4bc1cbf6bdda2f9bb9ad264 [0,1,0,0,0,0|2,0,0]=3 663 B7R0.4 CCCNCN(C)C 6cfa8606f274157e5146a9a1a1e43db8 [0,1,0,0,0,0|3,0,0]=4 664 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [0,1,0,0,0,0|1,0,0]=2 665 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [0,1,0,0,0,0|1,0,0]=2 666 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [0,1,0,0,0,0|2,0,1]=4 667 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,1,0,0,0,0|2,0,1]=4 668 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [0,1,0,0,0,0|3,0,0]=4 669 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [0,1,0,0,0,0|3,0,0]=4 670 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [0,1,0,0,0,0|2,1,0]=4 671 B7R0.4 CCCOCC(F)F 74563999b35ef7496664c1330d891527 [0,1,0,0,0,0|3,0,0]=4 672 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [0,1,0,0,0,0|3,0,0]=4 673 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [0,1,0,0,0,0|3,0,0]=4 674 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [0,1,0,0,0,0|3,0,0]=4 675 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [0,1,0,0,0,0|3,0,0]=4 676 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [0,1,0,0,0,0|3,0,0]=4 677 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [0,1,0,0,0,0|3,0,0]=4 678 B7R0.4 CN(C)CNCCBr bd43fb5c0b7d8350d95a0dd2df69b9c3 [0,1,0,0,0,0|3,0,0]=4 679 B7R0.4 CN(C)CNCCF f5668af030ba7c2b059920244d608c58 [0,1,0,0,0,0|3,0,0]=4 680 B7R0.4 CN(C)CNCCI a5f2dc9c9c831c2cee3580ea090d436e [0,1,0,0,0,0|3,0,0]=4 681 B7R0.4 CN(C)CNCCO da608adf367147e04fa4316e70ab8593 [0,1,0,0,0,0|2,0,0]=3 682 B7R0.4 CN(C)CNCCS b45f88ad22a418d68a24233da6b56ca9 [0,1,0,0,0,0|2,1,0]=4 683 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,1,0,0,0,0|2,0,1]=4 684 B7R0.4 COCNCC(C)C 8a41f842449ec7e26a630827b8975a34 [0,1,0,0,0,0|3,0,0]=4 685 B7R0.4 COCNCC(C)O 7cd2bebbda561fed9f8727c3c28ad38e [0,1,0,0,0,0|2,0,0]=3 686 B7R0.4 COCNCC(F)F 7ac3b930a04e1976065f1508912ca121 [0,1,0,0,0,0|3,0,0]=4 687 B7R0.4 COCNC[C@@H](C)O 1cb4b03583e52c6b50718208a2374249 [0,1,0,0,0,0|2,0,0]=3 688 B7R0.4 COCNC[C@H](C)O f3446f550f05f70b23e0d39223deb3a4 [0,1,0,0,0,0|2,0,0]=3 689 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,1,0,0,0,0|2,0,1]=4 690 B7R0.4 CSCNCC(C)C af947b38f43b5b920a6aa47378596e00 [0,1,0,0,0,0|3,0,0]=4 691 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [0,1,0,0,0,0|2,0,0]=3 692 B7R0.4 CSCNCC(F)F 7cb9fe23842b0dbd8a2ee023dae4c181 [0,1,0,0,0,0|3,0,0]=4 693 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [0,1,0,0,0,0|2,0,0]=3 694 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [0,1,0,0,0,0|2,0,0]=3 695 B7R0.4 C[C@@H](F)COCCF 3110bb67cbd1b2e85d385d6e3d35756e [0,1,0,0,0,0|3,0,0]=4 696 B7R0.4 C[C@@H](F)COCCS bfd1f029789b1190dba2ea5476759c7f [0,1,0,0,0,0|2,1,0]=4 697 B7R0.4 C[C@@H](O)CCNCF a171060e7cef636674fdc1d5de7e9c7f [0,1,0,0,0,0|3,0,0]=4 698 B7R0.4 C[C@@H](O)CCNCO 9ba5901b9598bb8b83a8e89d75299d06 [0,1,0,0,0,0|2,0,0]=3 699 B7R0.4 C[C@@H](O)CNCC#N 7bfb086c42a4594c4cffb6ccfda3da8f [0,1,0,0,0,0|1,0,1]=3 700 B7R0.4 C[C@@H](O)CNCC=O ae52f375140c99168e4849031ee267c7 [0,1,0,0,0,0|0,0,2]=3 701 B7R0.4 C[C@@H](O)CNCCBr 476a86534856a9aae2ef8f7279b31cfb [0,1,0,0,0,0|1,0,0]=2 702 B7R0.4 C[C@@H](O)CNCCF 87507f8dca39fc70cc21fdf67bae8912 [0,1,0,0,0,0|1,0,0]=2 703 B7R0.4 C[C@@H](O)CNCCI 9587776e701d797d457867258d4fc89b [0,1,0,0,0,0|1,0,0]=2 704 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [0,1,0,0,0,0|0,0,0]=1 705 B7R0.4 C[C@@H](O)CNCCS 36bf6989b461aa9b67b95a0edd91af08 [0,1,0,0,0,0|0,1,0]=2 706 B7R0.4 C[C@H](F)COCCF e0cc26a0b5d222012ac2289b3b46d0f6 [0,1,0,0,0,0|3,0,0]=4 707 B7R0.4 C[C@H](F)COCCS 2e8d8a893b1bd1c8bd8b5bd8050b0a6b [0,1,0,0,0,0|2,1,0]=4 708 B7R0.4 C[C@H](O)CCNCF cf7b969aa5132fd62a51c70fbb4e55b6 [0,1,0,0,0,0|3,0,0]=4 709 B7R0.4 C[C@H](O)CCNCO 0826a81a1bc46286726529223d9bf47c [0,1,0,0,0,0|2,0,0]=3 710 B7R0.4 C[C@H](O)CNCC#N 1a04464fa2dc47027bc54412001f6fce [0,1,0,0,0,0|1,0,1]=3 711 B7R0.4 C[C@H](O)CNCC=O 58f727508ba2f4be3dc454ceda8497a8 [0,1,0,0,0,0|0,0,2]=3 712 B7R0.4 C[C@H](O)CNCCBr d8130b56183e44282fb663631b483d0a [0,1,0,0,0,0|1,0,0]=2 713 B7R0.4 C[C@H](O)CNCCF 8a00c7ca22c55b9ee2846de53781405a [0,1,0,0,0,0|1,0,0]=2 714 B7R0.4 C[C@H](O)CNCCI 94327fd285e5b15f8455d211a6b18583 [0,1,0,0,0,0|1,0,0]=2 715 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [0,1,0,0,0,0|0,0,0]=1 716 B7R0.4 C[C@H](O)CNCCS a9946cdb75b18365d5d002024cd9bdf6 [0,1,0,0,0,0|0,1,0]=2 717 B7R0.4 FC(F)CNCCBr 6f73ca2a53a46e292c715dd03d425b2a [0,1,0,0,0,0|2,0,0]=3 718 B7R0.4 FC(F)CNCCI f322229db1592ca52a38721e44951495 [0,1,0,0,0,0|2,0,0]=3 719 B7R0.4 FC(F)CNCCS db95e06f910407ca6c5778f261ebea37 [0,1,0,0,0,0|1,1,0]=3 720 B7R0.4 FC(F)COCCS e3a324d7a6b843a6158f5435c15ddadb [0,1,0,0,0,0|2,1,0]=4 721 B7R0.4 FCCNCC(F)F fd402264e78663f9184950811c5d9a60 [0,1,0,0,0,0|2,0,0]=3 722 B7R0.4 FCCOCC(F)F 20ad19de9ff83f0ab91a9aa26bd47e34 [0,1,0,0,0,0|3,0,0]=4 723 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [0,1,0,0,0,0|1,0,2]=4 724 B7R0.4 N#CCNCC(F)F da5c3ffe7229d58f97e3a86836f00c3c [0,1,0,0,0,0|2,0,1]=4 725 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,1,0,0,0,0|1,0,2]=4 726 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,1,0,0,0,0|1,0,2]=4 727 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,1,0,0,0,0|1,0,2]=4 728 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,1,0,0,0,0|0,0,2]=3 729 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,1,0,0,0,0|0,1,2]=4 730 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,1,0,0,0,0|2,0,1]=4 731 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,1,0,0,0,0|1,0,1]=3 732 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,1,0,0,0,0|1,0,1]=3 733 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,1,0,0,0,0|1,0,1]=3 734 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,1,0,0,0,0|0,0,1]=2 735 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,1,0,0,0,0|0,1,1]=3 736 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,1,0,0,0,0|2,0,1]=4 737 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,1,0,0,0,0|1,1,1]=4 738 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [0,1,0,0,0,0|0,0,3]=4 739 B7R0.4 O=CCNCC(F)F 824b7b6840181b3cfa0b763b1d812fba [0,1,0,0,0,0|1,0,2]=4 740 B7R0.4 O=S(O)CCNCO fb9e10441f05965bf0dcfe0aab296669 [0,1,0,0,0,0|3,0,0]=4 741 B7R0.4 O=S(O)COCCF c36497384bf0c1557cb58aa4b3a78d7a [0,1,0,0,0,0|3,0,0]=4 742 B7R0.4 O=S(O)COCCS 210a74b93542982df908b08eade068db [0,1,0,0,0,0|2,1,0]=4 743 B7R0.4 O=[N+]([O-])CNCCBr 8d7dbc08ef9e7230477a17444ab7b5ae [0,1,0,0,0,0|2,0,1]=4 744 B7R0.4 O=[N+]([O-])CNCCF 477bcadb2f3c366321e1c6b2187a7835 [0,1,0,0,0,0|2,0,1]=4 745 B7R0.4 O=[N+]([O-])CNCCI 6776c7bda5b734558507b53f175be3fd [0,1,0,0,0,0|2,0,1]=4 746 B7R0.4 O=[N+]([O-])CNCCO 69325ec3c6bcdbf7a6cebb6b1eb9806b [0,1,0,0,0,0|1,0,1]=3 747 B7R0.4 O=[N+]([O-])CNCCS 295b59c1dfc9e00bdb8a8fce46a4d66a [0,1,0,0,0,0|1,1,1]=4 748 B7R0.4 OCCNCC(F)F 024302a0340b34702e94d843b11797e0 [0,1,0,0,0,0|1,0,0]=2 749 B7R0.4 OCNCCC(F)F 6ab11325c4893be6b016d91b3c022661 [0,1,0,0,0,0|3,0,0]=4 750 B7R0.7 C#CCN(C)CCC 612e0a8dc259a7d3bd70bcd5ce21a061 [0,1,0,0,0,0|2,0,1]=4 751 B7R0.7 C#CCN(C)CCF df29886d4ac161a548a9953e69193c99 [0,1,0,0,0,0|2,0,1]=4 752 B7R0.7 C#CCN(C)CCO 2ad3b74ccac932faf05fc96ebabb73e8 [0,1,0,0,0,0|1,0,1]=3 753 B7R0.7 C#CCN(C)CCS ea6c92d51fb4602fb7890a8adec77ea4 [0,1,0,0,0,0|1,1,1]=4 754 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [0,1,0,0,0,0|2,0,1]=4 755 B7R0.7 C=CCN(C)CCF b31bc09de38c09b7eacc67cab349dd8e [0,1,0,0,0,0|2,0,1]=4 756 B7R0.7 C=CCN(C)CCO 979ac659399c5cc5526a5ffaafb300dd [0,1,0,0,0,0|1,0,1]=3 757 B7R0.7 C=CCN(C)CCS 39ef2c909095bde90a27bd83d01eb339 [0,1,0,0,0,0|1,1,1]=4 758 B7R0.7 CC(CCO)NCF e6f0c96e8564a4ffab447e5924afc7ff [0,1,0,0,0,0|3,0,0]=4 759 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [0,1,0,0,0,0|2,0,0]=3 760 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [0,1,0,0,0,0|3,0,0]=4 761 B7R0.7 CCCN(C)CC#N c34e551c8e457e324f03b5cf2a22f014 [0,1,0,0,0,0|2,0,1]=4 762 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [0,1,0,0,0,0|1,0,2]=4 763 B7R0.7 CCCN(C)CCC e4ba1afb5991f60dfc5178c264d147ac [0,1,0,0,0,0|2,0,0]=3 764 B7R0.7 CCCN(C)CCF 20bdd855ba3f41de089f8838592d613e [0,1,0,0,0,0|2,0,0]=3 765 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [0,1,0,0,0,0|1,0,0]=2 766 B7R0.7 CCCN(C)CCS b66b0b7cd1a916850f3ad9b440f8c270 [0,1,0,0,0,0|1,1,0]=3 767 B7R0.7 CCCN(C)COC 1bec3c8fb3df3a096c65e4d1b6c5e3f1 [0,1,0,0,0,0|3,0,0]=4 768 B7R0.7 CCCN(C)CSC 08af67ba2c61bafd912a4ccbd1478a94 [0,1,0,0,0,0|3,0,0]=4 769 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [0,1,0,0,0,0|3,0,0]=4 770 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,1,0,0,0,0|3,0,0]=4 771 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,1,0,0,0,0|3,0,0]=4 772 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [0,1,0,0,0,0|3,0,0]=4 773 B7R0.7 CN(CC#N)CCF 3bc0828dbbba171bdbab8b6e58123b51 [0,1,0,0,0,0|2,0,1]=4 774 B7R0.7 CN(CC#N)CCO da549d8b05a367d96c2eb82090c24747 [0,1,0,0,0,0|1,0,1]=3 775 B7R0.7 CN(CC#N)CCS 6dd3033cb5ef37d53747570dda931809 [0,1,0,0,0,0|1,1,1]=4 776 B7R0.7 CN(CC=O)CCF e000d0184f9f374c5d6d2759945d9138 [0,1,0,0,0,0|1,0,2]=4 777 B7R0.7 CN(CC=O)CCO c9392a8ee79c46afd21599c8df016274 [0,1,0,0,0,0|0,0,2]=3 778 B7R0.7 CN(CCF)CCF bdb46c56f93255441856b85ff01eb9dd [0,1,0,0,0,0|2,0,0]=3 779 B7R0.7 CN(CCF)CCS 51a5a054c764c97b1b3f4764ff1b15f7 [0,1,0,0,0,0|1,1,0]=3 780 B7R0.7 CN(CCO)CCF 423bb7df0641cc2b0b9f40d044f22314 [0,1,0,0,0,0|1,0,0]=2 781 B7R0.7 CN(CCO)CCO ef0e337ef14d25ff6ba8a3c07f6d7053 [0,1,0,0,0,0|0,0,0]=1 782 B7R0.7 CN(CCO)CCS 8f9521937335f69fe4f66a692ec136fa [0,1,0,0,0,0|0,1,0]=2 783 B7R0.7 COCN(C)CCF 462c4168e49a87fc94c059780d3b18c2 [0,1,0,0,0,0|3,0,0]=4 784 B7R0.7 COCN(C)CCO 5aba17f9d68b8c1f364bdcdaa93aa01e [0,1,0,0,0,0|2,0,0]=3 785 B7R0.7 CSCN(C)CCF 9d16e27a475cba1630b67c24ce2c9bd7 [0,1,0,0,0,0|3,0,0]=4 786 B7R0.7 CSCN(C)CCO 7ed81f2aa884158a210c057b422414ea [0,1,0,0,0,0|2,0,0]=3 787 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [0,1,0,0,0,0|3,0,0]=4 788 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [0,1,0,0,0,0|2,0,0]=3 789 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [0,1,0,0,0,0|3,0,0]=4 790 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [0,1,0,0,0,0|2,0,0]=3 791 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [0,0,0,1,0,0|3,0,0]=4 792 B7R1.5 OCN[C@@H]1C[C@H]1F 3df34e466ae971e7539960ae02b859ec [0,0,0,1,0,0|3,0,0]=4 793 B7R1.5 OCN[C@H]1C[C@@H]1F c189de4ce3986a31a5c69dca6c280199 [0,0,0,1,0,0|3,0,0]=4 794 B7R1.5 OCN[C@H]1C[C@H]1F 9d9be3ca1e72afafdc1357d9fb78bbb0 [0,0,0,1,0,0|3,0,0]=4 795 B7R1.6 C#CCN1CCC1 a67036b39eea70b25fe5aa470b5dece0 [0,0,0,1,0,0|2,0,1]=4 796 B7R1.6 C=CCN1CCC1 e2cc8c962668cfacc8166017adc3ac9b [0,0,0,1,0,0|2,0,1]=4 797 B7R1.6 CCCN1CCC1 a259a8722cbac8bcd506f8443743eda0 [0,0,0,1,0,0|2,0,0]=3 798 B7R1.6 COCN1CCC1 fdad72c8566c59cd906eeb990103d9b4 [0,0,0,1,0,0|3,0,0]=4 799 B7R1.6 CSCN1CCC1 8d8000922b7cbeced70675a205703dc0 [0,0,0,1,0,0|3,0,0]=4 800 B7R1.6 FCCN1CCC1 52ac16ebd7ad59d3186f1b7ac85be8d4 [0,0,0,1,0,0|2,0,0]=3 801 B7R1.6 N#CCN1CCC1 d0490af96e6e986bbe19ad53bdee2c58 [0,0,0,1,0,0|2,0,1]=4 802 B7R1.6 O=CCN1CCC1 c2093fa3a09c779905e30743087db6d6 [0,0,0,1,0,0|1,0,2]=4 803 B7R1.6 OCCN1CCC1 1d260cf3c54be4529d167a32e498c498 [0,0,0,1,0,0|1,0,0]=2 804 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [0,0,0,1,0,0|3,0,0]=4 805 B7R1.6 SCCN1CCC1 ec2df4a9d0cd081fc93da3aeca69b593 [0,0,0,1,0,0|1,1,0]=3 806 B7R1.7 BrCCNC1CC1 1393b058767cc277491294f53cdb074c [0,0,0,1,0,0|2,0,0]=3 807 B7R1.7 C#CCNC1CC1 5ca46f52cda18bae277b5cbce6fc70ee [0,0,0,1,0,0|2,0,1]=4 808 B7R1.7 C=CCNC1CC1 3f9b6ba489361afb59ec73915e7e75b8 [0,0,0,1,0,0|2,0,1]=4 809 B7R1.7 CCCNC1CC1 ccd7cbe1c58ebed6997b07f91e0c6017 [0,0,0,1,0,0|2,0,0]=3 810 B7R1.7 CCCOC1CC1 1605df6110acb8784adb6061f4289edf [0,0,0,1,0,0|3,0,0]=4 811 B7R1.7 COCNC1CC1 2800df33eaeca479e7ad5159beea729f [0,0,0,1,0,0|3,0,0]=4 812 B7R1.7 CSCNC1CC1 0c824667fb972af505e34e3d4012a12e [0,0,0,1,0,0|3,0,0]=4 813 B7R1.7 FCCNC1CC1 27bdd0e03327b3d3ab47daae837284af [0,0,0,1,0,0|2,0,0]=3 814 B7R1.7 FCCOC1CC1 d382ce3d6b1520a06dd26d6fc11c28ce [0,0,0,1,0,0|3,0,0]=4 815 B7R1.7 ICCNC1CC1 54cb85ddbccb623caf83beca2f313e76 [0,0,0,1,0,0|2,0,0]=3 816 B7R1.7 N#CCNC1CC1 774dd910abeb1877524c1bcd87b79369 [0,0,0,1,0,0|2,0,1]=4 817 B7R1.7 O=CCNC1CC1 96e340af7b360f214201a5a3c0a006d0 [0,0,0,1,0,0|1,0,2]=4 818 B7R1.7 OCCNC1CC1 705f78fe268d00319295f25130b39077 [0,0,0,1,0,0|1,0,0]=2 819 B7R1.7 OCNCC1CC1 9cf22817bea92a2e517d0f5b781259f3 [0,0,0,1,0,0|3,0,0]=4 820 B7R1.7 SCCNC1CC1 c809924f8210012f5574eb4a4f7021ba [0,0,0,1,0,0|1,1,0]=3 821 B7R1.7 SCCOC1CC1 b7a85648a7aee83a47e4374e76fa4b99 [0,0,0,1,0,0|2,1,0]=4 822 B4R0.2 CCNC#N d0f03dd102d2d8b7abe705087df6ba79 [2,0,0,0,0,0|1,0,1]=4 823 B4R0.2 N#CNCO 96663baf465b53940bc16189393ec3f3 [2,0,0,0,0,0|1,0,1]=4 824 B6R0.1 C#CC(C)NCC 85cc62c068fe8347941753880600425b [1,1,0,0,0,0|1,0,1]=4 825 B6R0.1 C#CC(C)NCO 3c70e727e0061dbce9cbda47181daecb [1,1,0,0,0,0|1,0,1]=4 826 B6R0.1 C#CCN(C)CC df628b2fb59d020a233c7468342e16c7 [1,1,0,0,0,0|1,0,1]=4 827 B6R0.1 C#CCN(C)CO 233801036d1556dadc2fa829e2eef3b2 [1,1,0,0,0,0|1,0,1]=4 828 B6R0.1 C#C[C@@H](C)NCC 500769c3a32c8a4fe4bacf70b2bb6f30 [1,1,0,0,0,0|1,0,1]=4 829 B6R0.1 C#C[C@@H](C)NCO 126db25e0e4cf6691fb1b82389d3a95e [1,1,0,0,0,0|1,0,1]=4 830 B6R0.1 C#C[C@H](C)NCC 996961b9a4ddcbb2cfb9dcd81ac9d63f [1,1,0,0,0,0|1,0,1]=4 831 B6R0.1 C#C[C@H](C)NCO debd11bbb9ca9c2de8c9f91e833e2b10 [1,1,0,0,0,0|1,0,1]=4 832 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [1,1,0,0,0,0|1,0,1]=4 833 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [1,1,0,0,0,0|1,0,1]=4 834 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [1,1,0,0,0,0|1,0,1]=4 835 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [1,1,0,0,0,0|1,0,1]=4 836 B6R0.1 CC(C#N)NCO b7d0900ad4a8bef1fe42d0e02db02103 [1,1,0,0,0,0|1,0,1]=4 837 B6R0.1 CC(CO)NC#N b6bfa3976d2a6a9619606ed55bd1d96b [1,1,0,0,0,0|1,0,1]=4 838 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [1,1,0,0,0,0|0,0,2]=4 839 B6R0.1 CC(CO)NCF ab7f612930dc9a706824818dda371d27 [1,1,0,0,0,0|1,0,0]=3 840 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [1,1,0,0,0,0|0,0,0]=2 841 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [1,1,0,0,0,0|2,0,0]=4 842 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [1,1,0,0,0,0|1,0,0]=3 843 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,1,0,0,0,0|1,0,0]=3 844 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [1,1,0,0,0,0|2,0,0]=4 845 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [1,1,0,0,0,0|1,0,0]=3 846 B6R0.1 CCN(C)CC#N 2853a7af5707f71aff1eef2c0f44a019 [1,1,0,0,0,0|1,0,1]=4 847 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [1,1,0,0,0,0|0,0,2]=4 848 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [1,1,0,0,0,0|1,0,0]=3 849 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [1,1,0,0,0,0|0,0,0]=2 850 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [1,1,0,0,0,0|0,1,0]=3 851 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [1,1,0,0,0,0|2,0,0]=4 852 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [1,1,0,0,0,0|2,0,0]=4 853 B6R0.1 CCNC(C)C#N c11bb97931a96bb8667e2c19bb27e47b [1,1,0,0,0,0|1,0,1]=4 854 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [1,1,0,0,0,0|1,0,0]=3 855 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [1,1,0,0,0,0|0,0,0]=2 856 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [1,1,0,0,0,0|1,0,0]=3 857 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [1,1,0,0,0,0|0,0,0]=2 858 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [1,1,0,0,0,0|1,0,0]=3 859 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [1,1,0,0,0,0|0,0,0]=2 860 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [1,1,0,0,0,0|2,0,0]=4 861 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [1,1,0,0,0,0|2,0,0]=4 862 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [1,1,0,0,0,0|1,1,0]=4 863 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [1,1,0,0,0,0|2,0,0]=4 864 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [1,1,0,0,0,0|2,0,0]=4 865 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [1,1,0,0,0,0|1,1,0]=4 866 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [1,1,0,0,0,0|2,0,0]=4 867 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [1,1,0,0,0,0|1,0,0]=3 868 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [1,1,0,0,0,0|2,0,0]=4 869 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [1,1,0,0,0,0|1,0,0]=3 870 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [1,1,0,0,0,0|0,0,2]=4 871 B6R0.1 CN(CF)CCF 3637d23f051ca2593a5a5b98ee47a1b5 [1,1,0,0,0,0|2,0,0]=4 872 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [1,1,0,0,0,0|1,0,0]=3 873 B6R0.1 CN(CO)CC#N 980602725576f2e824d0e865b4b20c78 [1,1,0,0,0,0|1,0,1]=4 874 B6R0.1 CN(CO)CCF e5dd1ecfdd1f28e155abf2012a360c21 [1,1,0,0,0,0|1,0,0]=3 875 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [1,1,0,0,0,0|0,0,0]=2 876 B6R0.1 C[C@@H](CO)NC#N 139f5cc18c10fce938a3acd4b6e91304 [1,1,0,0,0,0|1,0,1]=4 877 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [1,1,0,0,0,0|0,0,2]=4 878 B6R0.1 C[C@@H](CO)NCF 2b92b0d94fc310efd060ea85fc1ec030 [1,1,0,0,0,0|1,0,0]=3 879 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [1,1,0,0,0,0|0,0,0]=2 880 B6R0.1 C[C@H](CO)NC#N 169e9f99802281ff5010262eba8da425 [1,1,0,0,0,0|1,0,1]=4 881 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [1,1,0,0,0,0|0,0,2]=4 882 B6R0.1 C[C@H](CO)NCF 769b646e43e30d6b70ca628125c680bc [1,1,0,0,0,0|1,0,0]=3 883 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [1,1,0,0,0,0|0,0,0]=2 884 B6R0.4 C#CCNC(C)C cd1408fc1dae47155e40a1bc6beb1606 [1,1,0,0,0,0|1,0,1]=4 885 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [1,1,0,0,0,0|1,0,1]=4 886 B6R0.4 C=C(Br)CNCO adc279aef6f40140095a017583e56582 [1,1,0,0,0,0|1,0,1]=4 887 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,1,0,0,0,0|1,0,1]=4 888 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [1,1,0,0,0,0|1,0,1]=4 889 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,1,0,0,0,0|0,0,2]=4 890 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,1,0,0,0,0|1,0,1]=4 891 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,1,0,0,0,0|1,0,1]=4 892 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,1,0,0,0,0|1,0,1]=4 893 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,1,0,0,0,0|0,0,1]=3 894 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,1,0,0,0,0|0,1,1]=4 895 B6R0.4 CC(C)CNCF 8978b44d87fa42438515590def89eb79 [1,1,0,0,0,0|2,0,0]=4 896 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [1,1,0,0,0,0|1,0,0]=3 897 B6R0.4 CC(C)NCC#N 8d9c5f2bbdfd2e60c34ddc5972663be0 [1,1,0,0,0,0|1,0,1]=4 898 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [1,1,0,0,0,0|1,0,0]=3 899 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [1,1,0,0,0,0|1,0,0]=3 900 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [1,1,0,0,0,0|1,0,0]=3 901 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [1,1,0,0,0,0|0,0,0]=2 902 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [1,1,0,0,0,0|0,1,0]=3 903 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [1,1,0,0,0,0|2,0,0]=4 904 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [1,1,0,0,0,0|1,1,0]=4 905 B6R0.4 CC(O)CNC#N f1c6c355e50ceab4bc37c7398481619a [1,1,0,0,0,0|1,0,1]=4 906 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [1,1,0,0,0,0|0,0,2]=4 907 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [1,1,0,0,0,0|1,0,0]=3 908 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [1,1,0,0,0,0|0,0,0]=2 909 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,1,0,0,0,0|1,0,1]=4 910 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [1,1,0,0,0,0|1,0,0]=3 911 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,1,0,0,0,0|2,0,0]=4 912 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,1,0,0,0,0|0,0,2]=4 913 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,1,0,0,0,0|0,0,2]=4 914 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,1,0,0,0,0|0,0,1]=3 915 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [1,1,0,0,0,0|1,0,0]=3 916 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,1,0,0,0,0|0,0,0]=2 917 B6R0.4 CCNCC(F)F 378c0d6ca4a67a557b47e015a9ac5778 [1,1,0,0,0,0|1,0,0]=3 918 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,1,0,0,0,0|0,0,0]=2 919 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,1,0,0,0,0|0,0,0]=2 920 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,1,0,0,0,0|1,0,1]=4 921 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,1,0,0,0,0|2,0,0]=4 922 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [1,1,0,0,0,0|2,0,0]=4 923 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [1,1,0,0,0,0|1,1,0]=4 924 B6R0.4 CCOCC(F)F 7bbeb9fafaa3b77bf5c2f88368607c83 [1,1,0,0,0,0|2,0,0]=4 925 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,1,0,0,0,0|2,0,0]=4 926 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [1,1,0,0,0,0|2,0,0]=4 927 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [1,1,0,0,0,0|2,0,0]=4 928 B6R0.4 C[C@@H](O)CNC#N e3345931a28baeaadc1130dfdade6003 [1,1,0,0,0,0|1,0,1]=4 929 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [1,1,0,0,0,0|0,0,2]=4 930 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [1,1,0,0,0,0|1,0,0]=3 931 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [1,1,0,0,0,0|0,0,0]=2 932 B6R0.4 C[C@H](O)CNC#N 269e98544ebb3ff67d9e1081dfeb62f0 [1,1,0,0,0,0|1,0,1]=4 933 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [1,1,0,0,0,0|0,0,2]=4 934 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [1,1,0,0,0,0|1,0,0]=3 935 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [1,1,0,0,0,0|0,0,0]=2 936 B6R0.4 FCNCC(F)F 6da875672bede8e90a731b5bce1724ae [1,1,0,0,0,0|2,0,0]=4 937 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [1,1,0,0,0,0|0,0,2]=4 938 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,1,0,0,0,0|1,0,1]=4 939 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,1,0,0,0,0|0,0,1]=3 940 B6R0.4 OCNCC(F)F 3ed4ca35ec506c3014c6127dbef8f462 [1,1,0,0,0,0|1,0,0]=3 941 B8R0.1 C#CCC(=O)NCCO 2552cbe45ed2acb76bf35f0ed2d399d1 [0,2,0,0,0,0|1,0,1]=4 942 B8R0.1 C#CCCN(C)CCC cdc20a350213388c78fedf3324acbb02 [0,2,0,0,0,0|2,0,0]=4 943 B8R0.1 C#CCCN(C)CCF d12488586ed4319e6a0ec7aa6cfead71 [0,2,0,0,0,0|2,0,0]=4 944 B8R0.1 C#CCCN(C)CCO d38ec686e5dff8e1d1cf71f95d251c7f [0,2,0,0,0,0|1,0,0]=3 945 B8R0.1 C#CCCN(C)CCS 7698b536f8efb10ee43eb82cad571fce [0,2,0,0,0,0|1,1,0]=4 946 B8R0.1 C#CCN(C)CCCO 5b9c49f1d9726493e8dde1cc49cf4baf [0,2,0,0,0,0|1,0,1]=4 947 B8R0.1 C#CCN(C)CCOC 597e948d603de4ad4370f428cc06fdf6 [0,2,0,0,0,0|1,0,1]=4 948 B8R0.1 C#CCN(C)CCON 6776cbc99378c1038390fd8b7dfdb8b4 [0,2,0,0,0,0|1,0,1]=4 949 B8R0.1 C#CCNC(=O)CCO 96fe99b94bbe3f359921b98b2650505f [0,2,0,0,0,0|1,0,1]=4 950 B8R0.1 C#CCNC(C)CCO f7e073f92be085cee88300803c26e8b5 [0,2,0,0,0,0|1,0,1]=4 951 B8R0.1 C#CCNC(C)COC 081f88b197c948c0270fca13f681f9dd [0,2,0,0,0,0|1,0,1]=4 952 B8R0.1 C#CCN[C@@H](C)CCO 08d69793342b67602e72b79419d5eb86 [0,2,0,0,0,0|1,0,1]=4 953 B8R0.1 C#CCN[C@@H](C)COC bc53f41cff50c086b7b28b0c33f0767f [0,2,0,0,0,0|1,0,1]=4 954 B8R0.1 C#CCN[C@H](C)CCO 5382a8cd24ffd0aadc352a9d09f8da09 [0,2,0,0,0,0|1,0,1]=4 955 B8R0.1 C#CCN[C@H](C)COC 074abdd95d0eca668172f915dee00611 [0,2,0,0,0,0|1,0,1]=4 956 B8R0.1 C/C=C/CN(C)CCO 42c3b6faec9960c36a879d013004e77f [0,2,0,0,0,0|1,0,1]=4 957 B8R0.1 C/C=C\CN(C)CCO fb53deedd56c2eb2eab09a348d1b1a65 [0,2,0,0,0,0|1,0,1]=4 958 B8R0.1 C=CCC(=O)NCCO 463fba4a469c234daf13b2d2f72392b1 [0,2,0,0,0,0|1,0,1]=4 959 B8R0.1 C=CCCN(C)CCC dab57175e9273de33949da20b7fb71b3 [0,2,0,0,0,0|2,0,0]=4 960 B8R0.1 C=CCCN(C)CCF 835eed401a0b6b3a5be304461679a35c [0,2,0,0,0,0|2,0,0]=4 961 B8R0.1 C=CCCN(C)CCO a8587c6e38b527df9a13ce4861c303de [0,2,0,0,0,0|1,0,0]=3 962 B8R0.1 C=CCCN(C)CCS f218cadc93d673ae19aa3c1af9e0544c [0,2,0,0,0,0|1,1,0]=4 963 B8R0.1 C=CCN(C)CCCO 9b92752ecae5d7c0bd7bb52b6f94bdc6 [0,2,0,0,0,0|1,0,1]=4 964 B8R0.1 C=CCN(C)CCOC 35c6a7bb506c9bbb574bc4cf97ada70e [0,2,0,0,0,0|1,0,1]=4 965 B8R0.1 C=CCN(C)CCON a60b1c855c20604eaae0fe16e1d71749 [0,2,0,0,0,0|1,0,1]=4 966 B8R0.1 C=CCNC(C)CCO 20392bc249adb293d88033c472c5ba70 [0,2,0,0,0,0|1,0,1]=4 967 B8R0.1 C=CCNC(C)COC 8be0a1a3efe06201dfdebdb472d4b60d [0,2,0,0,0,0|1,0,1]=4 968 B8R0.1 C=CCN[C@@H](C)CCO 1b9f49ff05f45441652baa86b54c33fb [0,2,0,0,0,0|1,0,1]=4 969 B8R0.1 C=CCN[C@@H](C)COC aab98976808482653489089b6e41eaad [0,2,0,0,0,0|1,0,1]=4 970 B8R0.1 C=CCN[C@H](C)CCO a742a5ac3ea9b1a9e5ba170dc2102a99 [0,2,0,0,0,0|1,0,1]=4 971 B8R0.1 C=CCN[C@H](C)COC da94bb1b36f0e4246472ca31a9988767 [0,2,0,0,0,0|1,0,1]=4 972 B8R0.1 CC(CC#N)NCCBr ed563577ff207ab51e9ab674531dd160 [0,2,0,0,0,0|2,0,0]=4 973 B8R0.1 CC(CC#N)NCCF 61e921d679f7999ead5e135bb04bef04 [0,2,0,0,0,0|2,0,0]=4 974 B8R0.1 CC(CC#N)NCCI 2bbc3926bd95cb2168daa9b695275dca [0,2,0,0,0,0|2,0,0]=4 975 B8R0.1 CC(CC#N)NCCO 9430fe99375abb92519cc8020b9f3d15 [0,2,0,0,0,0|1,0,0]=3 976 B8R0.1 CC(CC#N)NCCS 0c3a791b20ff2859207c58b541bc206c [0,2,0,0,0,0|1,1,0]=4 977 B8R0.1 CC(CCCO)NCF b241aebd82c44bc910db1b371b5b76bf [0,2,0,0,0,0|2,0,0]=4 978 B8R0.1 CC(CCCO)NCO 409c6d583f7d914d396566d61e0bf62f [0,2,0,0,0,0|1,0,0]=3 979 B8R0.1 CC(CCO)CNCF c3decab050bcf8b829d230dbfdc8cb9c [0,2,0,0,0,0|2,0,0]=4 980 B8R0.1 CC(CCO)CNCO 54a9f5ea99ff6dabd8f90f35e8fcdb0d [0,2,0,0,0,0|1,0,0]=3 981 B8R0.1 CC(CCO)NCC#N 6e0ef6af73ae57c000968f02ae6a3fd7 [0,2,0,0,0,0|1,0,1]=4 982 B8R0.1 CC(CCO)NCC=O be4773d58a64f79dc63b248791979cf7 [0,2,0,0,0,0|0,0,2]=4 983 B8R0.1 CC(CCO)NCCBr 9b5f002d95be67cfb3c77312635814a6 [0,2,0,0,0,0|1,0,0]=3 984 B8R0.1 CC(CCO)NCCF 4e257f114308a239c2538fd78e65f082 [0,2,0,0,0,0|1,0,0]=3 985 B8R0.1 CC(CCO)NCCI 24edf90a2f3b29d67860206f5f06d1a2 [0,2,0,0,0,0|1,0,0]=3 986 B8R0.1 CC(CCO)NCCO 0a38eb93d70e76c5195f8f8b7e0bc79d [0,2,0,0,0,0|0,0,0]=2 987 B8R0.1 CC(CCO)NCCS 7f5bd57c90f526174e20091745409967 [0,2,0,0,0,0|0,1,0]=3 988 B8R0.1 CCCC(=O)NCCBr e3424ddfe0e4582b4445faadedeca9f3 [0,2,0,0,0,0|2,0,0]=4 989 B8R0.1 CCCC(=O)NCCF abd86ad1a4854f306fa4ec91802cd24f [0,2,0,0,0,0|2,0,0]=4 990 B8R0.1 CCCC(=O)NCCI effb943f4ec1dba1ee2232662d0cb367 [0,2,0,0,0,0|2,0,0]=4 991 B8R0.1 CCCC(=O)NCCO d2bc78e5bd2f73aa8619f010857f1926 [0,2,0,0,0,0|1,0,0]=3 992 B8R0.1 CCCC(=O)NCCS c2ef67720d0b2ef54134f82538ee13fd [0,2,0,0,0,0|1,1,0]=4 993 B8R0.1 CCCC(C)NCCBr 753adf372612d932eb167d3c6c6a7373 [0,2,0,0,0,0|2,0,0]=4 994 B8R0.1 CCCC(C)NCCF 561290ca4cbab4d4179520d904990ead [0,2,0,0,0,0|2,0,0]=4 995 B8R0.1 CCCC(C)NCCI 853631fdd24c7675889f7c8342411ed2 [0,2,0,0,0,0|2,0,0]=4 996 B8R0.1 CCCC(C)NCCO d387394dd5b59962f0214322519a89cd [0,2,0,0,0,0|1,0,0]=3 997 B8R0.1 CCCC(C)NCCS ae0edf47df652752132304246cff565d [0,2,0,0,0,0|1,1,0]=4 998 B8R0.1 CCCC(O)CNCO 64eda460853947fa76aaab0ea9fa11c8 [0,2,0,0,0,0|2,0,0]=4 999 B8R0.1 CCCCC(C)NCO 6228ac303b59f75d40554a9ce17c3ee3 [0,2,0,0,0,0|2,0,0]=4 1000 B8R0.1 CCCCN(C)CCC 598958f1bf27154d8760346aca3fc1c7 [0,2,0,0,0,0|2,0,0]=4 1001 B8R0.1 CCCCN(C)CCF dea221ed9395f7cb1e71d7be0afd021b [0,2,0,0,0,0|2,0,0]=4 1002 B8R0.1 CCCCN(C)CCO d3a1d2ca604b1d792baba16d692e347d [0,2,0,0,0,0|1,0,0]=3 1003 B8R0.1 CCCCN(C)CCS 3e265071a664b45e2ee59abc544de5e5 [0,2,0,0,0,0|1,1,0]=4 1004 B8R0.1 CCCC[C@@H](C)NCO 4bc87525a9489fa57f5a33fe4ddc5813 [0,2,0,0,0,0|2,0,0]=4 1005 B8R0.1 CCCN(C)C/C=C\O 2a082a41c2329b960b6a0761624140ea [0,2,0,0,0,0|1,0,1]=4 1006 B8R0.1 CCCN(C)CCC#N e21f2e5795e35a80e55b6ba896f984f5 [0,2,0,0,0,0|2,0,0]=4 1007 B8R0.1 CCCN(C)CCC=O cd4badc64192ce4c537889fd9678d594 [0,2,0,0,0,0|1,0,1]=4 1008 B8R0.1 CCCN(C)CCCF 59925d2d70ed2cd32e04f065de645944 [0,2,0,0,0,0|2,0,0]=4 1009 B8R0.1 CCCN(C)CCCO bcaba704baeaba819c24be99d4c792f1 [0,2,0,0,0,0|1,0,0]=3 1010 B8R0.1 CCCN(C)CCCS 13f800e972129b543eca8df52c669ca8 [0,2,0,0,0,0|1,1,0]=4 1011 B8R0.1 CCCN(C)CCOC 3001c1572568a855669d478bf72bb14a [0,2,0,0,0,0|1,0,0]=3 1012 B8R0.1 CCCN(C)CCON ddea99dfcac5cbaa7bc869b004f79f3a [0,2,0,0,0,0|1,0,0]=3 1013 B8R0.1 CCCN(C)CCSC 124c992bab27aab465124a43552a6d9d [0,2,0,0,0,0|1,1,0]=4 1014 B8R0.1 CCCN(C)COCC cf6f2674ada2fc38b6be0d5d76fba32b [0,2,0,0,0,0|2,0,0]=4 1015 B8R0.1 CCCNC(=O)CCC 3a4ef615081398a2acfdf5d3349655c4 [0,2,0,0,0,0|2,0,0]=4 1016 B8R0.1 CCCNC(=O)CCF 80cac466548133e31f593852e3638107 [0,2,0,0,0,0|2,0,0]=4 1017 B8R0.1 CCCNC(=O)CCO 1e17d6cf040450a0042d7883a84b4d20 [0,2,0,0,0,0|1,0,0]=3 1018 B8R0.1 CCCNC(=O)CCS 5ca47d6ccf33cee73df146cfd5794783 [0,2,0,0,0,0|1,1,0]=4 1019 B8R0.1 CCCNC(=O)COC d992f0c3466a56e61d0974e6b6e8669f [0,2,0,0,0,0|1,0,1]=4 1020 B8R0.1 CCCNC(=O)CON 9840c2139f1e78498e25b8fce4d164d2 [0,2,0,0,0,0|1,0,1]=4 1021 B8R0.1 CCCNC(C)CC#N 43b32c6da36abb9ca868ef3a72e99b78 [0,2,0,0,0,0|2,0,0]=4 1022 B8R0.1 CCCNC(C)CCC d58b8fb4472d4722966db633dc2848a1 [0,2,0,0,0,0|2,0,0]=4 1023 B8R0.1 CCCNC(C)CCO 2e0066dec5bfac2fe8aee5a15fdb0084 [0,2,0,0,0,0|1,0,0]=3 1024 B8R0.1 CCCNC(C)COC 4346ed93e9ed26ed30cbd2c33a1a3971 [0,2,0,0,0,0|1,0,0]=3 1025 B8R0.1 CCCN[C@@H](C)CCC 559d6e0322e30323f5594c28d9f6d2f9 [0,2,0,0,0,0|2,0,0]=4 1026 B8R0.1 CCCN[C@@H](C)CCO d83bfeeda889a8c7feae809ec08f9d71 [0,2,0,0,0,0|1,0,0]=3 1027 B8R0.1 CCCN[C@@H](C)COC c1bfae4cdff368ae020ea427a86f20a2 [0,2,0,0,0,0|1,0,0]=3 1028 B8R0.1 CCCN[C@H](C)CCO 868b607afbbd0b779ae880e9de3082ae [0,2,0,0,0,0|1,0,0]=3 1029 B8R0.1 CCCN[C@H](C)COC db62694081776beb55a87c04a01b7e4c [0,2,0,0,0,0|1,0,0]=3 1030 B8R0.1 CCCOC(C)COC 7da8295e4d831ee4f9d2cde28bad1a12 [0,2,0,0,0,0|2,0,0]=4 1031 B8R0.1 CCCO[C@@H](C)COC 626e622663639373f117286290b64b6d [0,2,0,0,0,0|2,0,0]=4 1032 B8R0.1 CCCO[C@H](C)COC 97f2c6bbb0fdd054219bab069984cf44 [0,2,0,0,0,0|2,0,0]=4 1033 B8R0.1 CCC[C@H](C)NCCF ad34b2e1bc15d73c299f2f9233e9fc6d [0,2,0,0,0,0|2,0,0]=4 1034 B8R0.1 CCC[C@H](C)NCCO a9ccf92f27c638a9d01093b14de8d08e [0,2,0,0,0,0|1,0,0]=3 1035 B8R0.1 CCC[C@H](C)NCCS 4b977739e63bd4bdba50b1434c29865f [0,2,0,0,0,0|1,1,0]=4 1036 B8R0.1 CCNC(C)CCCO 4cb159cc51e237a2b68098cab9f966c9 [0,2,0,0,0,0|2,0,0]=4 1037 B8R0.1 CCNCC(C)CCO ce19fc97a41079125b3a501e5658b50e [0,2,0,0,0,0|2,0,0]=4 1038 B8R0.1 CCN[C@H](C)CCCO b5ffb788d1af92f75fbf496c96240314 [0,2,0,0,0,0|2,0,0]=4 1039 B8R0.1 CCOCN(C)CCF 15f09a6694334e8fa617a47fe167018e [0,2,0,0,0,0|2,0,0]=4 1040 B8R0.1 CCOCN(C)CCO d229648483b22399699fd2ff299b7b3c [0,2,0,0,0,0|1,0,0]=3 1041 B8R0.1 CN(C/C=C/Cl)CCO 3d187815e55704dce6176fa5ec66a9d1 [0,2,0,0,0,0|1,0,1]=4 1042 B8R0.1 CN(C/C=C\Cl)CCO 34008ac369ddbbe32b1741c986a17fc8 [0,2,0,0,0,0|1,0,1]=4 1043 B8R0.1 CN(C/C=C\O)CCF 861631fc18b9873d200e73981e87dc23 [0,2,0,0,0,0|1,0,1]=4 1044 B8R0.1 CN(C/C=C\O)CCO 0ac71e2f5b44b4618ab2384a79f6f22d [0,2,0,0,0,0|0,0,1]=3 1045 B8R0.1 CN(CC#N)CCCO 6814a9fa5f7b1278df1ab564e6ace4ed [0,2,0,0,0,0|1,0,1]=4 1046 B8R0.1 CN(CC#N)CCON af7a2ac4b1dad3c7361bdddd9c8c9412 [0,2,0,0,0,0|1,0,1]=4 1047 B8R0.1 CN(CC=O)CCCO e829ef1e39177735d96baabedb183026 [0,2,0,0,0,0|0,0,2]=4 1048 B8R0.1 CN(CC=O)CCON e216ea3a47e02385fd3a2622ad7fa59d [0,2,0,0,0,0|0,0,2]=4 1049 B8R0.1 CN(CCF)CCC#N efe9a923a10fda455ff1343955551323 [0,2,0,0,0,0|2,0,0]=4 1050 B8R0.1 CN(CCF)CCC=O 8931c69c0220d8a040f4b6d70039493e [0,2,0,0,0,0|1,0,1]=4 1051 B8R0.1 CN(CCF)CCCF d6f4e5eae95ae04853089c876cfe8376 [0,2,0,0,0,0|2,0,0]=4 1052 B8R0.1 CN(CCF)CCCO 405cb1812406dc732acbd5ca2bf8d85c [0,2,0,0,0,0|1,0,0]=3 1053 B8R0.1 CN(CCF)CCCS 1ee1f733e33e2caa9e2de614f767ac2c [0,2,0,0,0,0|1,1,0]=4 1054 B8R0.1 CN(CCF)CCON b2135f515cfefdaf0b35b20888a8d107 [0,2,0,0,0,0|1,0,0]=3 1055 B8R0.1 CN(CCO)CCC#N 754707f265676c2444acffa7118e0084 [0,2,0,0,0,0|1,0,0]=3 1056 B8R0.1 CN(CCO)CCC=O 69df82d3bd6c841b00970a1b6a8a928f [0,2,0,0,0,0|0,0,1]=3 1057 B8R0.1 CN(CCO)CCCF 65d67af691e399f2e636a5d6ace9b963 [0,2,0,0,0,0|1,0,0]=3 1058 B8R0.1 CN(CCO)CCCO 36d713c03dc08766341246f14e07bda2 [0,2,0,0,0,0|0,0,0]=2 1059 B8R0.1 CN(CCO)CCCS cd935c5917603f4566a0a99c54ed3ddc [0,2,0,0,0,0|0,1,0]=3 1060 B8R0.1 CN(CCO)CCON 874878a8bbc253fff48e199d7410c1e4 [0,2,0,0,0,0|0,0,0]=2 1061 B8R0.1 CN(CCO)CSC#N d65c86327ef24f8a1da6a0f83759a0c7 [0,2,0,0,0,0|1,0,1]=4 1062 B8R0.1 CN(CCS)CCC#N 60202bb2db9e23e8012d1395e28c71af [0,2,0,0,0,0|1,1,0]=4 1063 B8R0.1 CN(CCS)CCCO 128d6d2fd1d0f5cb95de704956d68fe8 [0,2,0,0,0,0|0,1,0]=3 1064 B8R0.1 CN(CCS)CCON 8dceb9a97ec69ed2cc9e01fcf5b96f77 [0,2,0,0,0,0|0,1,0]=3 1065 B8R0.1 COCC(=O)NCCBr e1d7efa2beb897f6fe8c723e5fef1d8c [0,2,0,0,0,0|1,0,1]=4 1066 B8R0.1 COCC(=O)NCCF 5b27f9df05a07da8459d8e50096ac5ef [0,2,0,0,0,0|1,0,1]=4 1067 B8R0.1 COCC(=O)NCCI 555339bd86b0ca69dc4cdec31caa1894 [0,2,0,0,0,0|1,0,1]=4 1068 B8R0.1 COCC(=O)NCCO 5ced7d6cbd9eed1c30b901e6485d694c [0,2,0,0,0,0|0,0,1]=3 1069 B8R0.1 COCC(=O)NCCS 730709bdb2536a5f7519c33efb71b705 [0,2,0,0,0,0|0,1,1]=4 1070 B8R0.1 COCC(C)NCC#N 9ad126f1d3931e9a9bf7a2d491640342 [0,2,0,0,0,0|1,0,1]=4 1071 B8R0.1 COCC(C)NCC=O 4baf3fe6a6d274e7ea1aec1466238275 [0,2,0,0,0,0|0,0,2]=4 1072 B8R0.1 COCC(C)NCCBr 7e7899007a79744e746e34b0e88edf2b [0,2,0,0,0,0|1,0,0]=3 1073 B8R0.1 COCC(C)NCCF 557cdfba1af62f98bed1b41c8dc60606 [0,2,0,0,0,0|1,0,0]=3 1074 B8R0.1 COCC(C)NCCI d72e8ee75c83d066d0a0f78aee871581 [0,2,0,0,0,0|1,0,0]=3 1075 B8R0.1 COCC(C)NCCO 50121ba26215b782d2891c1068ffac80 [0,2,0,0,0,0|0,0,0]=2 1076 B8R0.1 COCC(C)NCCS 0c48b5ac3fb6b83a7c07cb573cbf905d [0,2,0,0,0,0|0,1,0]=3 1077 B8R0.1 COCC(C)NCSC c65c691b291feca97768e9e081d9e61b [0,2,0,0,0,0|2,0,0]=4 1078 B8R0.1 COCC(C)OCCF 4d25fe5841fbbc0958bbed68d66d45cd [0,2,0,0,0,0|2,0,0]=4 1079 B8R0.1 COCC(C)OCCS dc09b0fb0753a53299a8d871512bc6a2 [0,2,0,0,0,0|1,1,0]=4 1080 B8R0.1 COCC(O)CNCO e2f3cdf26236b8274acc1874eb0ec186 [0,2,0,0,0,0|2,0,0]=4 1081 B8R0.1 COCCN(C)CC#N 3f77de52e1b506e47eb6f8d35b9c686b [0,2,0,0,0,0|1,0,1]=4 1082 B8R0.1 COCCN(C)CC=O c7dafc3b396de10656291e435de6410a [0,2,0,0,0,0|0,0,2]=4 1083 B8R0.1 COCCN(C)CCF 134bac4413d89851de3a0eb8339bb0d3 [0,2,0,0,0,0|1,0,0]=3 1084 B8R0.1 COCCN(C)CCO 26130ceb4ad7565e446b20c581648752 [0,2,0,0,0,0|0,0,0]=2 1085 B8R0.1 COCCN(C)CCS 83f03283cbacd33730b90834828ac225 [0,2,0,0,0,0|0,1,0]=3 1086 B8R0.1 COCCN(C)COC 988caaf7b0acbc240227baa170a3504a [0,2,0,0,0,0|2,0,0]=4 1087 B8R0.1 COCCN(C)CSC 5f13e0ff3c679461b2b1a419feb6e996 [0,2,0,0,0,0|2,0,0]=4 1088 B8R0.1 COCN(C)CCCO 56bf23a0f821c588da38c52571d1a699 [0,2,0,0,0,0|2,0,0]=4 1089 B8R0.1 COCN(C)CCON af7f1fce2b5bf3670d996ae10ca8a166 [0,2,0,0,0,0|2,0,0]=4 1090 B8R0.1 COCNC(C)CCO beef74a08774c424be705bcf888f26fa [0,2,0,0,0,0|2,0,0]=4 1091 B8R0.1 COCNC(C)COC 250e9396c28d5b4d35b8d6778a33f28b [0,2,0,0,0,0|2,0,0]=4 1092 B8R0.1 COCN[C@@H](C)CCO 846c34ef1a51838a6139eeea9d4f99da [0,2,0,0,0,0|2,0,0]=4 1093 B8R0.1 COCN[C@@H](C)COC 28e1e39ec4c3a6c7735e0e01086ca38a [0,2,0,0,0,0|2,0,0]=4 1094 B8R0.1 COCN[C@H](C)CCO 92078ebb5dafc18f4d78c5f9e159a8b4 [0,2,0,0,0,0|2,0,0]=4 1095 B8R0.1 COCN[C@H](C)COC a708542bac98d3d1489ba8503cb4c50d [0,2,0,0,0,0|2,0,0]=4 1096 B8R0.1 COC[C@@H](C)NCC#N 6f6608cda0199859ca568b66c49def0d [0,2,0,0,0,0|1,0,1]=4 1097 B8R0.1 COC[C@@H](C)NCC=O 4fb921a050a5f68cf2239a934ae891a7 [0,2,0,0,0,0|0,0,2]=4 1098 B8R0.1 COC[C@@H](C)NCCF 42cfad7510b920e2cbb6795ba35d53ec [0,2,0,0,0,0|1,0,0]=3 1099 B8R0.1 COC[C@@H](C)NCCO b9e85493d099197a11d2edf7d0650981 [0,2,0,0,0,0|0,0,0]=2 1100 B8R0.1 COC[C@@H](C)NCCS c1a0ef2c1db0eafdfbae83e6b2ab6150 [0,2,0,0,0,0|0,1,0]=3 1101 B8R0.1 COC[C@@H](C)NCSC a373e5142c49c6b8358dc6f2a80e75c6 [0,2,0,0,0,0|2,0,0]=4 1102 B8R0.1 COC[C@@H](C)OCCF c6f35b3504e96433ddf50584161123c4 [0,2,0,0,0,0|2,0,0]=4 1103 B8R0.1 COC[C@@H](C)OCCS 97c93538d74314c75d1f95b22f9ee5ea [0,2,0,0,0,0|1,1,0]=4 1104 B8R0.1 COC[C@@H](O)CNCO 326134c725e2877382224239fb68963f [0,2,0,0,0,0|2,0,0]=4 1105 B8R0.1 COC[C@H](C)NCC#N 348926afe8655835b870f694055fa5f9 [0,2,0,0,0,0|1,0,1]=4 1106 B8R0.1 COC[C@H](C)NCC=O bc29ca8d06d84bc5177cf78e24d1b1b6 [0,2,0,0,0,0|0,0,2]=4 1107 B8R0.1 COC[C@H](C)NCCF 557ce4da8f4fb038d07789d43c01e324 [0,2,0,0,0,0|1,0,0]=3 1108 B8R0.1 COC[C@H](C)NCCO d2e33cba22598bc0a84da0258db0aed7 [0,2,0,0,0,0|0,0,0]=2 1109 B8R0.1 COC[C@H](C)NCCS 7dadc5772c9df6151c25bf104059e3fe [0,2,0,0,0,0|0,1,0]=3 1110 B8R0.1 COC[C@H](C)NCSC 32dd16ad91f658657131385e4dd12f54 [0,2,0,0,0,0|2,0,0]=4 1111 B8R0.1 COC[C@H](C)OCCF 5868f63f2ae9b3c9cc835061e035dd23 [0,2,0,0,0,0|2,0,0]=4 1112 B8R0.1 COC[C@H](C)OCCS 7322d1c93dd5ab6f4b1a0e283db4fa99 [0,2,0,0,0,0|1,1,0]=4 1113 B8R0.1 CSCC(=O)NCCO 8fe8e72aaf0bb9f5644b18e3c790996d [0,2,0,0,0,0|0,1,1]=4 1114 B8R0.1 CSCCN(C)CCF 009b8e27e8e790d3ca2e81faf9ac0f0f [0,2,0,0,0,0|1,1,0]=4 1115 B8R0.1 CSCCN(C)CCO 85eeedbf06a800beafc41e04d578329f [0,2,0,0,0,0|0,1,0]=3 1116 B8R0.1 CSCCN(C)CCS 81ba41fb7d6f3f42166f9514690c9e2c [0,2,0,0,0,0|0,2,0]=4 1117 B8R0.1 CSCN(C)CCCO 040c6dbe636b5c0fe8d86499104f8427 [0,2,0,0,0,0|2,0,0]=4 1118 B8R0.1 CSCN(C)CCON a0fc03321ed5624919ba05479c976d53 [0,2,0,0,0,0|2,0,0]=4 1119 B8R0.1 CSCNC(C)CCO 384369778a555cb452533bc5ca73f9fe [0,2,0,0,0,0|2,0,0]=4 1120 B8R0.1 CSCN[C@@H](C)CCO e98ada11c075b45fe978efc49ee8a7bf [0,2,0,0,0,0|2,0,0]=4 1121 B8R0.1 CSCN[C@H](C)CCO f6d18924a000e6d1418cf5dabf72ecc1 [0,2,0,0,0,0|2,0,0]=4 1122 B8R0.1 C[C@@H](CCO)NCC#N d318beb02accd53060d3f2bb9cc72f1d [0,2,0,0,0,0|1,0,1]=4 1123 B8R0.1 C[C@@H](CCO)NCC=O b740e215ba752232b945e9f7d9202d2b [0,2,0,0,0,0|0,0,2]=4 1124 B8R0.1 C[C@@H](CCO)NCCF c4114ad9237021fc43e0b45cbec3ae30 [0,2,0,0,0,0|1,0,0]=3 1125 B8R0.1 C[C@@H](CCO)NCCO d2e7fd644e961d6f86d76e6efcd22d24 [0,2,0,0,0,0|0,0,0]=2 1126 B8R0.1 C[C@@H](CCO)NCCS 46128b2ebad6b96cf3a0db53184e8aeb [0,2,0,0,0,0|0,1,0]=3 1127 B8R0.1 C[C@H](CCCO)NCF 739629949299962ce494801aa452596e [0,2,0,0,0,0|2,0,0]=4 1128 B8R0.1 C[C@H](CCCO)NCO 344fc929e55b0072ca3709d4cee8b54f [0,2,0,0,0,0|1,0,0]=3 1129 B8R0.1 C[C@H](CCO)NCC#N f467e222e55f000b0a451522cac91204 [0,2,0,0,0,0|1,0,1]=4 1130 B8R0.1 C[C@H](CCO)NCC=O 8e0d0c9fecd308d7ccaf47b7123c3880 [0,2,0,0,0,0|0,0,2]=4 1131 B8R0.1 C[C@H](CCO)NCCF a4b20a6c6b1f8a9eafb5ab03e272b019 [0,2,0,0,0,0|1,0,0]=3 1132 B8R0.1 C[C@H](CCO)NCCO a3f01fe7a9fe79340267f6653a06eb66 [0,2,0,0,0,0|0,0,0]=2 1133 B8R0.1 C[C@H](CCO)NCCS 9253753fad1a3272b1c7345dfbc236be [0,2,0,0,0,0|0,1,0]=3 1134 B8R0.1 N#CCC(=O)NCCO ebc737fc9565f0412dd7bc9620fd665d [0,2,0,0,0,0|1,0,1]=4 1135 B8R0.1 N#CCNC(=O)CCO 4cb7ec4d29a04c5392c09b8643634927 [0,2,0,0,0,0|1,0,1]=4 1136 B8R0.1 NOCC(=O)NCCBr c0babb816ff6ad071d50637a90f5b53a [0,2,0,0,0,0|1,0,1]=4 1137 B8R0.1 NOCC(=O)NCCF 9e810ff41c2108c50e8d8b1b8bd5f2d7 [0,2,0,0,0,0|1,0,1]=4 1138 B8R0.1 NOCC(=O)NCCI 1fcbed4147de39f8976794c95925d11c [0,2,0,0,0,0|1,0,1]=4 1139 B8R0.1 NOCC(=O)NCCO fd618ddcd2c6c81b594a362cc110fd22 [0,2,0,0,0,0|0,0,1]=3 1140 B8R0.1 NOCC(=O)NCCS 18d27bf78c6e7759f1c46eb3797eeb7e [0,2,0,0,0,0|0,1,1]=4 1141 B8R0.1 O=C(CCF)NCCBr 4e6a83a04fff0ae2002d06f5532a71cf [0,2,0,0,0,0|2,0,0]=4 1142 B8R0.1 O=C(CCF)NCCF 3ee47b2b4a969933bf6a2b7769d886d8 [0,2,0,0,0,0|2,0,0]=4 1143 B8R0.1 O=C(CCF)NCCI 0514d32be9a459d35ff2d3dd8e59c8c1 [0,2,0,0,0,0|2,0,0]=4 1144 B8R0.1 O=C(CCF)NCCO 8a006b90c0f677be977fd587da748001 [0,2,0,0,0,0|1,0,0]=3 1145 B8R0.1 O=C(CCF)NCCS cc499bcf14cc4ef20c4a540fd4249535 [0,2,0,0,0,0|1,1,0]=4 1146 B8R0.1 O=C(CCO)NCCBr 0598e39f87524871b714a958e56557af [0,2,0,0,0,0|1,0,0]=3 1147 B8R0.1 O=C(CCO)NCCF fc3c58338add0c048e7e192017336dc4 [0,2,0,0,0,0|1,0,0]=3 1148 B8R0.1 O=C(CCO)NCCI f4b9eac1b1d1ab1205b4f68c01e683b0 [0,2,0,0,0,0|1,0,0]=3 1149 B8R0.1 O=C(CCO)NCCO baa85bba8951a71c692dae57f4f0b055 [0,2,0,0,0,0|0,0,0]=2 1150 B8R0.1 O=C(CCO)NCCS 67e704856b61f7f4ce061f14d041dc6c [0,2,0,0,0,0|0,1,0]=3 1151 B8R0.1 O=C(CCS)NCCBr 0eb47b0aecf2287af30d9b3e94e8bc58 [0,2,0,0,0,0|1,1,0]=4 1152 B8R0.1 O=C(CCS)NCCF b7e186cad638003cfed1aa574b20f812 [0,2,0,0,0,0|1,1,0]=4 1153 B8R0.1 O=C(CCS)NCCI 56f9d8039c6ce5f07f13c307d4e588bf [0,2,0,0,0,0|1,1,0]=4 1154 B8R0.1 O=C(CCS)NCCO 41c5fbd04fe40888bf540f13522d8b85 [0,2,0,0,0,0|0,1,0]=3 1155 B8R0.1 O=C(CCS)NCCS a425fac0fa57c463ae17426b0d0c8bcc [0,2,0,0,0,0|0,2,0]=4 1156 B8R0.1 O=CCC(=O)NCCO f600ea136456fb823bf20010f6243059 [0,2,0,0,0,0|0,0,2]=4 1157 B8R0.4 C#CCCCCNCO 713332b53916ce2116df67b917d68308 [0,2,0,0,0,0|2,0,0]=4 1158 B8R0.4 C#CCCCNCCBr f2af2d6274c87b2da8b78cf74c23a2c2 [0,2,0,0,0,0|2,0,0]=4 1159 B8R0.4 C#CCCCNCCC 5741edfb5fc37a0fd94ab80872f199ae [0,2,0,0,0,0|2,0,0]=4 1160 B8R0.4 C#CCCCNCCF 353420c6bf23589b417ed5c3cae31e27 [0,2,0,0,0,0|2,0,0]=4 1161 B8R0.4 C#CCCCNCCI 1cf8a1cd03b37b4032b78b8450d40832 [0,2,0,0,0,0|2,0,0]=4 1162 B8R0.4 C#CCCCNCCO 749d8851342805764acc32afca683de9 [0,2,0,0,0,0|1,0,0]=3 1163 B8R0.4 C#CCCCNCCS b19a8e13e34c874cb97e8453a9277ea7 [0,2,0,0,0,0|1,1,0]=4 1164 B8R0.4 C#CCCNC/C=C\O ac3dd4be5323a850fce7fb8342080f88 [0,2,0,0,0,0|1,0,1]=4 1165 B8R0.4 C#CCCNCCC#C 2a4630f63ad5729415b5405e910413a1 [0,2,0,0,0,0|2,0,0]=4 1166 B8R0.4 C#CCCNCCC#N 7a48d9acf2cc2841f359b3c741cd0807 [0,2,0,0,0,0|2,0,0]=4 1167 B8R0.4 C#CCCNCCC=C 9794b7468c99ece409ea6b212e97182c [0,2,0,0,0,0|2,0,0]=4 1168 B8R0.4 C#CCCNCCC=O bc9ca51a96083c72c5825d8142093fbc [0,2,0,0,0,0|1,0,1]=4 1169 B8R0.4 C#CCCNCCCC d822834a6bb9f412f2c9985f130cc8f3 [0,2,0,0,0,0|2,0,0]=4 1170 B8R0.4 C#CCCNCCCCl 6450cc1c6d43bfbf75bed081767d4d88 [0,2,0,0,0,0|2,0,0]=4 1171 B8R0.4 C#CCCNCCCF 25fb8234442dd9dba26d8860b530373e [0,2,0,0,0,0|2,0,0]=4 1172 B8R0.4 C#CCCNCCCO 74bbabadd82ed586e64e71b666d35898 [0,2,0,0,0,0|1,0,0]=3 1173 B8R0.4 C#CCCNCCCS 6a544d20c8b3dcf2a969bb15e83782f2 [0,2,0,0,0,0|1,1,0]=4 1174 B8R0.4 C#CCCNCCOC 08e62ace3404cee3ceba4678d3bff0ce [0,2,0,0,0,0|1,0,0]=3 1175 B8R0.4 C#CCCNCCON e4a2963c3729b7804b0d98ecba8018dc [0,2,0,0,0,0|1,0,0]=3 1176 B8R0.4 C#CCCNCCSC 0ffb0f65d63792827dae550b83359c51 [0,2,0,0,0,0|1,1,0]=4 1177 B8R0.4 C#CCCNCOCC 460d48a83ce91273f9bdb69ff25650ff [0,2,0,0,0,0|2,0,0]=4 1178 B8R0.4 C#CCCOCCOC 919a96412a1e4c793962b40a0d4bf31c [0,2,0,0,0,0|2,0,0]=4 1179 B8R0.4 C#CCNCC#CCO 5633b34cc2e6e32bb8d6d8472b809d74 [0,2,0,0,0,0|1,0,1]=4 1180 B8R0.4 C#CCNCCCCO d42948e5f929eb2d4664076420e784e7 [0,2,0,0,0,0|1,0,1]=4 1181 B8R0.4 C#CCNCCCOC ca16b081835a976ee67cb17341561d04 [0,2,0,0,0,0|1,0,1]=4 1182 B8R0.4 C#CCNCCOC=C c25dc5ec0b8d9ba3e17ad933da08eb7e [0,2,0,0,0,0|1,0,1]=4 1183 B8R0.4 C#CCNCCOCC da758c3e7c046b8ecbe96c01a9a076b5 [0,2,0,0,0,0|1,0,1]=4 1184 B8R0.4 C/C=C/CNCCCO 534dbd3a195f77398c2b81facabd6eef [0,2,0,0,0,0|1,0,1]=4 1185 B8R0.4 C/C=C/CNCCOC 3082ab6e9ace7c63c6f0a5148107963d [0,2,0,0,0,0|1,0,1]=4 1186 B8R0.4 C/C=C/CNCCON 79737eab41f3bc36cd4a5b8364278811 [0,2,0,0,0,0|1,0,1]=4 1187 B8R0.4 C/C=C\CNCCCO 2311985bdb3a9584f5d9b65cd3aa0d3e [0,2,0,0,0,0|1,0,1]=4 1188 B8R0.4 C/C=C\CNCCOC 3292568499715e9b97935e8cc4ef79f5 [0,2,0,0,0,0|1,0,1]=4 1189 B8R0.4 C/C=C\CNCCON 4fa0dc470c681851fa457e5a616dfedc [0,2,0,0,0,0|1,0,1]=4 1190 B8R0.4 C=CCCCCNCO 0b537372ef9331045a9745fddf549658 [0,2,0,0,0,0|2,0,0]=4 1191 B8R0.4 C=CCCCNCCBr 43c775c72da8acf09a20a8db6ce741dc [0,2,0,0,0,0|2,0,0]=4 1192 B8R0.4 C=CCCCNCCC ed9f94bd82f276e8a415d35039c9b633 [0,2,0,0,0,0|2,0,0]=4 1193 B8R0.4 C=CCCCNCCF 5aae0c269d267d53802179e4cab94afb [0,2,0,0,0,0|2,0,0]=4 1194 B8R0.4 C=CCCCNCCI 441ba7fe4c9dcc0c4d21c4a2bd530b1a [0,2,0,0,0,0|2,0,0]=4 1195 B8R0.4 C=CCCCNCCO 8a1b35dc4f0997056aa8d06819d9c2fe [0,2,0,0,0,0|1,0,0]=3 1196 B8R0.4 C=CCCCNCCS 2ab638d6017ad22dc1c1beb467a58251 [0,2,0,0,0,0|1,1,0]=4 1197 B8R0.4 C=CCCNC/C=C\O 47c7bcf69cc83af6600d2f1017c22bbc [0,2,0,0,0,0|1,0,1]=4 1198 B8R0.4 C=CCCNCCC#N f719cf7d78ddfa76caccd938bd442473 [0,2,0,0,0,0|2,0,0]=4 1199 B8R0.4 C=CCCNCCC=C a8eee7a600a072cdcba3dd1cd63ab5f7 [0,2,0,0,0,0|2,0,0]=4 1200 B8R0.4 C=CCCNCCC=O dc8c76cf5e14247b5bfc6b4c26a93331 [0,2,0,0,0,0|1,0,1]=4 1201 B8R0.4 C=CCCNCCCC bba294da38688174bb39fbd588941b97 [0,2,0,0,0,0|2,0,0]=4 1202 B8R0.4 C=CCCNCCCCl 2f80890407d24a4d727a764aa3314000 [0,2,0,0,0,0|2,0,0]=4 1203 B8R0.4 C=CCCNCCCF a727d01dc8aa52a771e9ef8cbecd1bb2 [0,2,0,0,0,0|2,0,0]=4 1204 B8R0.4 C=CCCNCCCO fe03ee5320fba7694ee66066e81064aa [0,2,0,0,0,0|1,0,0]=3 1205 B8R0.4 C=CCCNCCCS b5e2dc034d60fce9646b396f0e9d8f84 [0,2,0,0,0,0|1,1,0]=4 1206 B8R0.4 C=CCCNCCOC d3b2c39d815d8d99aea063862b21fe54 [0,2,0,0,0,0|1,0,0]=3 1207 B8R0.4 C=CCCNCCON 0de366875d2a68398e2cc136cda7011f [0,2,0,0,0,0|1,0,0]=3 1208 B8R0.4 C=CCCNCCSC edc60d95e6e1f18c1ede12af162c8143 [0,2,0,0,0,0|1,1,0]=4 1209 B8R0.4 C=CCCNCOCC 019c5c2eeb83b0d217acda6f874337c0 [0,2,0,0,0,0|2,0,0]=4 1210 B8R0.4 C=CCCOCCOC 022351562bd5b75ccdae2ce8a7420e05 [0,2,0,0,0,0|2,0,0]=4 1211 B8R0.4 C=CCNCC#CCO 2555b0c69d9f2f136ca3973ce02d033b [0,2,0,0,0,0|1,0,1]=4 1212 B8R0.4 C=CCNCCCCO 14862b294c4ab4be3b007c7c745e5432 [0,2,0,0,0,0|1,0,1]=4 1213 B8R0.4 C=CCNCCCOC 923ce876ed91c87e8cbdf04842c12511 [0,2,0,0,0,0|1,0,1]=4 1214 B8R0.4 C=CCNCCOC=C 568feae345a6f2304f62265027e235a2 [0,2,0,0,0,0|1,0,1]=4 1215 B8R0.4 C=CCNCCOCC 0140e609049b0aacf5d7bcd5e635cff9 [0,2,0,0,0,0|1,0,1]=4 1216 B8R0.4 C=COCCCNCO 7c4b3e65d98ea331ba11854946f4a847 [0,2,0,0,0,0|2,0,0]=4 1217 B8R0.4 C=COCCNCC#N 0713f36e60635105129a7260a8373e8e [0,2,0,0,0,0|1,0,1]=4 1218 B8R0.4 C=COCCNCC=O 6f794f610f23ba9b548edd55eed414a5 [0,2,0,0,0,0|0,0,2]=4 1219 B8R0.4 C=COCCNCCC 28cdbba6a7c35ff41b7005cb4f953384 [0,2,0,0,0,0|1,0,0]=3 1220 B8R0.4 C=COCCNCCF c4db30a75b11ac3d125d39aaa0bafcf8 [0,2,0,0,0,0|1,0,0]=3 1221 B8R0.4 C=COCCNCCO c962ee181883a9d05479745cb560753b [0,2,0,0,0,0|0,0,0]=2 1222 B8R0.4 C=COCCNCCS 99e314c6d18b5e25ff66e5c7d4cb0d17 [0,2,0,0,0,0|0,1,0]=3 1223 B8R0.4 C=COCCNCOC f224848c336840864306e8775fa9be91 [0,2,0,0,0,0|2,0,0]=4 1224 B8R0.4 C=COCCNCSC c600bc4155cdfab00718c182a1d908ce [0,2,0,0,0,0|2,0,0]=4 1225 B8R0.4 C=COCCOCCC d3d0232a519269e090de053aa19caca6 [0,2,0,0,0,0|2,0,0]=4 1226 B8R0.4 C=COCCOCCF 2bb3cc79cd54325a3b4a658a60f2531e [0,2,0,0,0,0|2,0,0]=4 1227 B8R0.4 C=COCCOCCS 1dc3bcdc2ff447de0c7aec1863e71212 [0,2,0,0,0,0|1,1,0]=4 1228 B8R0.4 CC#CCNCCCO 8452183b079d4b534410007ad00acc65 [0,2,0,0,0,0|1,0,1]=4 1229 B8R0.4 CC#CCNCCOC 5b68d2255ff34ae1d6775f32457991d1 [0,2,0,0,0,0|1,0,1]=4 1230 B8R0.4 CC/C=C/CNCCBr 1efd764ee57dc65be1c0b16587baa891 [0,2,0,0,0,0|2,0,0]=4 1231 B8R0.4 CC/C=C/CNCCC 7b76f5221e9f8d321a930b2cc78f0465 [0,2,0,0,0,0|2,0,0]=4 1232 B8R0.4 CC/C=C/CNCCF 941667b58ffa216efb1af53e94ad7152 [0,2,0,0,0,0|2,0,0]=4 1233 B8R0.4 CC/C=C/CNCCI 6d6706276d9cacecb7dbbca8ea7b453a [0,2,0,0,0,0|2,0,0]=4 1234 B8R0.4 CC/C=C/CNCCO 141b854b7ea740721874c3a88dd89e50 [0,2,0,0,0,0|1,0,0]=3 1235 B8R0.4 CC/C=C/CNCCS 45052a68f5bdd8de4365f76aaf1ba3d0 [0,2,0,0,0,0|1,1,0]=4 1236 B8R0.4 CC=CCNCCCO 9f4f022594f73907b6faf2ecbf4f70ca [0,2,0,0,0,0|1,0,1]=4 1237 B8R0.4 CC=CCNCCOC 474a7e08f93cfe69139646cbfcbe7d9d [0,2,0,0,0,0|1,0,1]=4 1238 B8R0.4 CCC#CCNCCC 508bd01b11d11ed82c7053cb3af1a986 [0,2,0,0,0,0|2,0,0]=4 1239 B8R0.4 CCC#CCNCCI f4ff38057511b20665946fa9f997bec6 [0,2,0,0,0,0|2,0,0]=4 1240 B8R0.4 CCC#CCNCCO 342f8f12192ac298790b8242f1648c24 [0,2,0,0,0,0|1,0,0]=3 1241 B8R0.4 CCC#CCNCCS f2c620380da92c10c6dd279e25b22b67 [0,2,0,0,0,0|1,1,0]=4 1242 B8R0.4 CCCCCCNCO fee4d07ce0e7c74e0c9bf65bf9405250 [0,2,0,0,0,0|2,0,0]=4 1243 B8R0.4 CCCCCCOCC 9345e14939c0037a8cd7124fa95af69b [0,2,0,0,0,0|2,0,0]=4 1244 B8R0.4 CCCCCCOCF 5545a0a4abb65fe9a326f72bb8454219 [0,2,0,0,0,0|2,0,0]=4 1245 B8R0.4 CCCCCNCCBr 089f5434d612eac8e3264fb2af68de09 [0,2,0,0,0,0|2,0,0]=4 1246 B8R0.4 CCCCCNCCC e1899f21e9e3263889e806dca2898495 [0,2,0,0,0,0|2,0,0]=4 1247 B8R0.4 CCCCCNCCF 08736e9d031b962149008af4dbbae1ec [0,2,0,0,0,0|2,0,0]=4 1248 B8R0.4 CCCCCNCCI 451535c8d9a592fc4903d9a80bb5e070 [0,2,0,0,0,0|2,0,0]=4 1249 B8R0.4 CCCCCNCCO f9b71f37f65a5dd4fd3f51e1e821c5a0 [0,2,0,0,0,0|1,0,0]=3 1250 B8R0.4 CCCCCNCCS 8d24f5c417bfd50b34a0c81d07c624ad [0,2,0,0,0,0|1,1,0]=4 1251 B8R0.4 CCCCCNCOC 39758a02c0fddd5394c0093195bca6be [0,2,0,0,0,0|2,0,0]=4 1252 B8R0.4 CCCCCOCOC b5b3100512c55f3430f83e20b695c569 [0,2,0,0,0,0|2,0,0]=4 1253 B8R0.4 CCCCNC/C=C\O 030dd5950e83ae29a206c0c1dbd703ac [0,2,0,0,0,0|1,0,1]=4 1254 B8R0.4 CCCCNCCC#N 21edaa6d14ae0b8b41d896f5ebbcc463 [0,2,0,0,0,0|2,0,0]=4 1255 B8R0.4 CCCCNCCC=O cc5d699181445c3bad4f64b752b1821b [0,2,0,0,0,0|1,0,1]=4 1256 B8R0.4 CCCCNCCCC 83f5cde9216aaf13647a8beda79dab35 [0,2,0,0,0,0|2,0,0]=4 1257 B8R0.4 CCCCNCCCCl 0f00c3c3f44f250cab48b92e5412d8a7 [0,2,0,0,0,0|2,0,0]=4 1258 B8R0.4 CCCCNCCCF c8a2e79bdb0d1cc8343903c43e081085 [0,2,0,0,0,0|2,0,0]=4 1259 B8R0.4 CCCCNCCCO 49b3fdf08e01f17758987c7a7e8bba30 [0,2,0,0,0,0|1,0,0]=3 1260 B8R0.4 CCCCNCCCS ebec18e8f39c6ffc0f0fe747a0704631 [0,2,0,0,0,0|1,1,0]=4 1261 B8R0.4 CCCCNCCOC e55b55af56c3c637798ec9c85f7b8020 [0,2,0,0,0,0|1,0,0]=3 1262 B8R0.4 CCCCNCCON dd65b96d468031dc7885056626818eac [0,2,0,0,0,0|1,0,0]=3 1263 B8R0.4 CCCCNCCSC 59b636301e9a63ee9269f9fefc2f0cbb [0,2,0,0,0,0|1,1,0]=4 1264 B8R0.4 CCCCNCOCC 6270590fe71f8e7cfb7887c503e7cb19 [0,2,0,0,0,0|2,0,0]=4 1265 B8R0.4 CCCCOCCOC 6735cacff3b7f7ef1ac59b3af2d64f94 [0,2,0,0,0,0|2,0,0]=4 1266 B8R0.4 CCCNCC#CCO f4ac2da6fda4ff130e25482d383253d7 [0,2,0,0,0,0|1,0,0]=3 1267 B8R0.4 CCCNCCCC#N 0e4bb5c930d4405af9112d69df156b92 [0,2,0,0,0,0|2,0,0]=4 1268 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [0,2,0,0,0,0|1,0,1]=4 1269 B8R0.4 CCCNCCCCCl 86d3fabc966fee554ec309bcdb6a6f42 [0,2,0,0,0,0|2,0,0]=4 1270 B8R0.4 CCCNCCCCF f801e13fe9947adffb3521a5945c4de9 [0,2,0,0,0,0|2,0,0]=4 1271 B8R0.4 CCCNCCCCO 101d8adf768a1371279ab06c67e1a854 [0,2,0,0,0,0|1,0,0]=3 1272 B8R0.4 CCCNCCCCS e81cbea71a1d34af60d6fe3b38b1645e [0,2,0,0,0,0|1,1,0]=4 1273 B8R0.4 CCCNCCCOC 97e272a50a3dc43fab42b265af642693 [0,2,0,0,0,0|1,0,0]=3 1274 B8R0.4 CCCNCCCSC a1fb4fe81d031e7dcffdf0d0cda484e8 [0,2,0,0,0,0|1,1,0]=4 1275 B8R0.4 CCCNCCOCC 788b5a303fd5463369b362f7c1e82c05 [0,2,0,0,0,0|1,0,0]=3 1276 B8R0.4 CCCNCCSCC 145c32b87daf4b90eafd0f3078816379 [0,2,0,0,0,0|1,1,0]=4 1277 B8R0.4 CCCOCCCOC 8f84ed15eeef50c54bbb8786899dacf1 [0,2,0,0,0,0|2,0,0]=4 1278 B8R0.4 CCCOCCNCO 8595bcbbbf5fd075137f627b7ec6b8b8 [0,2,0,0,0,0|2,0,0]=4 1279 B8R0.4 CCCOCCOC=O 55073fa6df391382112376726b3f158f [0,2,0,0,0,0|2,0,0]=4 1280 B8R0.4 CCCOCCOCC 329b2bcd6f865f8651c78dbc452ecac4 [0,2,0,0,0,0|2,0,0]=4 1281 B8R0.4 CCCOCCOCF 6893c8c2de2661d9cf2e52b0c6eaabcf [0,2,0,0,0,0|2,0,0]=4 1282 B8R0.4 CCCSCCOCC c76e8fe318a52d32927def1b7ebdffa7 [0,2,0,0,0,0|2,0,0]=4 1283 B8R0.4 CCCSCCOCF 720d0236377e6144f736cd0f4037f880 [0,2,0,0,0,0|2,0,0]=4 1284 B8R0.4 CCNCCCCCO d908c3b79a6fe3de0920b09f17e57911 [0,2,0,0,0,0|2,0,0]=4 1285 B8R0.4 CCNCCCCOC 2651322fa047b3732accc75cc3da11da [0,2,0,0,0,0|2,0,0]=4 1286 B8R0.4 CCNCCOCCO ab40f68d3f552d1a5970b56d1caa576b [0,2,0,0,0,0|2,0,0]=4 1287 B8R0.4 CCNCCSCCO 0756ee7e2e7cb3b848634875dd09b614 [0,2,0,0,0,0|2,0,0]=4 1288 B8R0.4 CCOCCCCOC 884278e30d78a09f4fe2f7feb30d0d3f [0,2,0,0,0,0|2,0,0]=4 1289 B8R0.4 CCOCCCNCO bfe6253cc19f5ad9b4c9906398627a21 [0,2,0,0,0,0|2,0,0]=4 1290 B8R0.4 CCOCCNCC#N 7e04caa8d8487e3b3349d72d3e34b6ab [0,2,0,0,0,0|1,0,1]=4 1291 B8R0.4 CCOCCNCC=O 9b6362b955c81d6a818d07f93060ce81 [0,2,0,0,0,0|0,0,2]=4 1292 B8R0.4 CCOCCNCCBr 24d90c4b8e1e41e3d5a0a74399711bae [0,2,0,0,0,0|1,0,0]=3 1293 B8R0.4 CCOCCNCCF 0faef7540a48aa944230e6a301e4788b [0,2,0,0,0,0|1,0,0]=3 1294 B8R0.4 CCOCCNCCI f65e8675fe2e8893dceda2bbe3a9ec63 [0,2,0,0,0,0|1,0,0]=3 1295 B8R0.4 CCOCCNCCO d1a45d737dc86da6f39330718d51704a [0,2,0,0,0,0|0,0,0]=2 1296 B8R0.4 CCOCCNCCS ae3728d23412f412d31284f71a900d8b [0,2,0,0,0,0|0,1,0]=3 1297 B8R0.4 CCOCCNCOC e16f65f06bc2b99b3d907b4d797a61e8 [0,2,0,0,0,0|2,0,0]=4 1298 B8R0.4 CCOCCNCSC faf7d87d17bed0e69a82a0518e7badde [0,2,0,0,0,0|2,0,0]=4 1299 B8R0.4 CCOCCOCCF de5dbf96542777ab66f236cc8c494a50 [0,2,0,0,0,0|2,0,0]=4 1300 B8R0.4 CCOCCOCCS 5aba6681f29eaa409e556a8d2831c051 [0,2,0,0,0,0|1,1,0]=4 1301 B8R0.4 CCOCNCCC#N 7c79367a1b49005ee9bee23801fee7d2 [0,2,0,0,0,0|2,0,0]=4 1302 B8R0.4 CCOCNCCCCl 1846db9f15f7a8a85185f6bc4bad5303 [0,2,0,0,0,0|2,0,0]=4 1303 B8R0.4 CCOCNCCCO 23eae121855a8a5e5052222178789d02 [0,2,0,0,0,0|1,0,0]=3 1304 B8R0.4 CCOCNCCOC 37def935720b65fc87e703710aa404ee [0,2,0,0,0,0|1,0,0]=3 1305 B8R0.4 CCOCNCCON 072d82705d35da15718af35238f91212 [0,2,0,0,0,0|1,0,0]=3 1306 B8R0.4 CCOCNCCSC 509d8fa68985dc90690e2d13fc7300ad [0,2,0,0,0,0|1,1,0]=4 1307 B8R0.4 CCOCOCCOC c7e233af0a5763c1e2ec98e8a015fd4e [0,2,0,0,0,0|2,0,0]=4 1308 B8R0.4 CCSCCNCCBr 18b371a3486fd29f983a244b8bfde3ea [0,2,0,0,0,0|1,1,0]=4 1309 B8R0.4 CCSCCNCCF 9d56908f4347d09f35dac4f68fcb0a75 [0,2,0,0,0,0|1,1,0]=4 1310 B8R0.4 CCSCCNCCI c3abc0a1de4318bb31881bc9af37ddb1 [0,2,0,0,0,0|1,1,0]=4 1311 B8R0.4 CCSCCNCCO 705a322c53733f80608fa2aca65490a0 [0,2,0,0,0,0|0,1,0]=3 1312 B8R0.4 CCSCCNCCS d51bc62ea90e48fddf90b4539df61591 [0,2,0,0,0,0|0,2,0]=4 1313 B8R0.4 COCCCCNCF 02b595b8665bf6ad2985079f7ac0aeb1 [0,2,0,0,0,0|2,0,0]=4 1314 B8R0.4 COCCCCNCO 51786f99381d54403ea46d9383ba40cc [0,2,0,0,0,0|1,0,0]=3 1315 B8R0.4 COCCCCOCF e815a6c287695e1a636002d6644f305e [0,2,0,0,0,0|2,0,0]=4 1316 B8R0.4 COCCCNCC#N b242d64b876a0e1fe93c595a985aa41d [0,2,0,0,0,0|1,0,1]=4 1317 B8R0.4 COCCCNCC=O 79f3770a5332c7aa2006f56f8caadfb2 [0,2,0,0,0,0|0,0,2]=4 1318 B8R0.4 COCCCNCCBr 5aa78c798a841e80d82d9e60431330c0 [0,2,0,0,0,0|1,0,0]=3 1319 B8R0.4 COCCCNCCF 041e6994048488d22c955ac776af010f [0,2,0,0,0,0|1,0,0]=3 1320 B8R0.4 COCCCNCCI 0186411caa2b9183db8f4098d308fa17 [0,2,0,0,0,0|1,0,0]=3 1321 B8R0.4 COCCCNCCO b882d8685487a56fc2c12e34e8e227c1 [0,2,0,0,0,0|0,0,0]=2 1322 B8R0.4 COCCCNCCS 256755def3a3944e6faf39ebe1680a8e [0,2,0,0,0,0|0,1,0]=3 1323 B8R0.4 COCCCNCOC 1f1875caa8620256569e5f1ae787d042 [0,2,0,0,0,0|2,0,0]=4 1324 B8R0.4 COCCCNCSC 34103b32fb2b435f93bb60eae590bae7 [0,2,0,0,0,0|2,0,0]=4 1325 B8R0.4 COCCCOCCF 4ffb019798fea01253e3983e39a3b217 [0,2,0,0,0,0|2,0,0]=4 1326 B8R0.4 COCCCOCCS 034151073721ed7fced30d5c7d96809d [0,2,0,0,0,0|1,1,0]=4 1327 B8R0.4 COCCCOCOC 92047848dd3f717a8d9bb57dfbd960e0 [0,2,0,0,0,0|2,0,0]=4 1328 B8R0.4 COCCNC/C=C/Cl a1b1d935e54ca0f86ec0bed852c610ac [0,2,0,0,0,0|1,0,1]=4 1329 B8R0.4 COCCNC/C=C\Cl c7a8e03128e72f79d2ed62c3464a8f60 [0,2,0,0,0,0|1,0,1]=4 1330 B8R0.4 COCCNC/C=C\O 13bebf1afca106dd27e870525bacfbef [0,2,0,0,0,0|0,0,1]=3 1331 B8R0.4 COCCNCCC#N 43c289c2d252e238557ad5e314db3266 [0,2,0,0,0,0|1,0,0]=3 1332 B8R0.4 COCCNCCC=O 231f83e2145cee673a577fcbc59607dc [0,2,0,0,0,0|0,0,1]=3 1333 B8R0.4 COCCNCCCCl 8ba52790533836faa6d427a3a5bb4ad8 [0,2,0,0,0,0|1,0,0]=3 1334 B8R0.4 COCCNCCCF 850fc0a7b5ae0b2e275a1a55ec529615 [0,2,0,0,0,0|1,0,0]=3 1335 B8R0.4 COCCNCCCO f3bbaa1e3688613cc916b70ff8bfcc57 [0,2,0,0,0,0|0,0,0]=2 1336 B8R0.4 COCCNCCCS be316613b399b4ebb219164243e1782e [0,2,0,0,0,0|0,1,0]=3 1337 B8R0.4 COCCNCCOC 7f69cc5c3d87f83720e2be24902d0af0 [0,2,0,0,0,0|0,0,0]=2 1338 B8R0.4 COCCNCCON 89199e813abd4798288aaf694ec385ef [0,2,0,0,0,0|0,0,0]=2 1339 B8R0.4 COCCNCCSC 7d0bd0eb01a04e8d98cec69926dd8601 [0,2,0,0,0,0|0,1,0]=3 1340 B8R0.4 COCCNCSC#N 3af3112c618a462a3aa7fb45a5a875ab [0,2,0,0,0,0|1,0,1]=4 1341 B8R0.4 COCCOCCC#N a4844b9487eb0ea1ec50ff13a58eb0d7 [0,2,0,0,0,0|2,0,0]=4 1342 B8R0.4 COCCOCCC=O 2cddfa1660d37f7f1ab97a7bd88a1df8 [0,2,0,0,0,0|1,0,1]=4 1343 B8R0.4 COCCOCCCF 651595a2ed17cf2d5400c65132f59bbb [0,2,0,0,0,0|2,0,0]=4 1344 B8R0.4 COCCOCCCS 7f30d2700702c5fb0d3765382f49053b [0,2,0,0,0,0|1,1,0]=4 1345 B8R0.4 COCCOCCOC b3f4861d575f20a0b2a5fdeb65250e49 [0,2,0,0,0,0|1,0,0]=3 1346 B8R0.4 COCCOCCSC 2ea3de8cee6b9690728878a6623f0d14 [0,2,0,0,0,0|1,1,0]=4 1347 B8R0.4 COCNCC#CCO 1307cbbebcf0bb45ced93cb0a3c8703f [0,2,0,0,0,0|1,0,1]=4 1348 B8R0.4 COCNCCCCCl d47b66156d6f192dfb73b80cd35af2c2 [0,2,0,0,0,0|2,0,0]=4 1349 B8R0.4 COCNCCCCO ca8efaa5098c48b237959f5a1a115e02 [0,2,0,0,0,0|1,0,0]=3 1350 B8R0.4 COCNCCCCS a2c1ef24130e97b681aa9ad1afee8274 [0,2,0,0,0,0|1,1,0]=4 1351 B8R0.4 COCOCCCCF 439027e7cee7c83bc2a5d7479ed3ff0e [0,2,0,0,0,0|2,0,0]=4 1352 B8R0.4 COCOCCCCS 6711c3ede78b89314526970b63403a62 [0,2,0,0,0,0|1,1,0]=4 1353 B8R0.4 CSCCCCNCO ae40ab4fa2d5d94966b509e075b958da [0,2,0,0,0,0|1,1,0]=4 1354 B8R0.4 CSCCCNCCBr ec30ffe3efe83d19772fd6614be31bd8 [0,2,0,0,0,0|1,1,0]=4 1355 B8R0.4 CSCCCNCCF 6f018acead4e0a919452137a7c9a80a1 [0,2,0,0,0,0|1,1,0]=4 1356 B8R0.4 CSCCCNCCI 8c8c909e1474133444db1bac85a84a9a [0,2,0,0,0,0|1,1,0]=4 1357 B8R0.4 CSCCCNCCO e9c80523ec93ea29d1d50e3a2efe78d7 [0,2,0,0,0,0|0,1,0]=3 1358 B8R0.4 CSCCCNCCS 8ce9f273694c24dbd57fe73a35b16b29 [0,2,0,0,0,0|0,2,0]=4 1359 B8R0.4 CSCCNC/C=C\O 681ef3c26cbbe7632f3156f1e9d2b2b7 [0,2,0,0,0,0|0,1,1]=4 1360 B8R0.4 CSCCNCCC#N a0acae4cf5595d98d145d1c7ad0cdff1 [0,2,0,0,0,0|1,1,0]=4 1361 B8R0.4 CSCCNCCC=O 6a9c051f85f5257fb975b52def5686c5 [0,2,0,0,0,0|0,1,1]=4 1362 B8R0.4 CSCCNCCCCl 1f4101fe1ec24a54d0ea6acb8573e243 [0,2,0,0,0,0|1,1,0]=4 1363 B8R0.4 CSCCNCCCF f53acefc1edd8627e32fbf30143c90b6 [0,2,0,0,0,0|1,1,0]=4 1364 B8R0.4 CSCCNCCCO f6b1a735d91925126b38940200756072 [0,2,0,0,0,0|0,1,0]=3 1365 B8R0.4 CSCCNCCCS 5171e38a3e08bf443c2f699310fbb378 [0,2,0,0,0,0|0,2,0]=4 1366 B8R0.4 CSCCNCCON 429f16b13efc7d47f0a72891cf3ff27d [0,2,0,0,0,0|0,1,0]=3 1367 B8R0.4 CSCCNCCSC 57345ae8e07bcb6fff27e2411c649483 [0,2,0,0,0,0|0,2,0]=4 1368 B8R0.4 CSCNCC#CCO 347ca15394a1030780fd8e985473fea6 [0,2,0,0,0,0|2,0,0]=4 1369 B8R0.4 CSCNCCCCO a8527b20316a926f95cc7546183714ca [0,2,0,0,0,0|1,1,0]=4 1370 B8R0.4 FCCCCNCCBr 1bc9dcab92a1f12330accfd2e72e14d6 [0,2,0,0,0,0|2,0,0]=4 1371 B8R0.4 FCCCCNCCF b075693ceddaf7fa11043e144c2816af [0,2,0,0,0,0|2,0,0]=4 1372 B8R0.4 FCCCCNCCI ae7ed6aebf6c4a1c34a09e82d047c2a9 [0,2,0,0,0,0|2,0,0]=4 1373 B8R0.4 FCCCCNCCS 816bb59d91997d2c1bc92b7c0f6e366d [0,2,0,0,0,0|1,1,0]=4 1374 B8R0.4 FCCCNCCCCl 61f0c1078fb9a5f585e48809f4300baf [0,2,0,0,0,0|2,0,0]=4 1375 B8R0.4 FCCNCCCCCl 1975b8307faa11448c1bdf8992af87f1 [0,2,0,0,0,0|2,0,0]=4 1376 B8R0.4 FCCNCCCCS 8ed200c082c73abc8837abac0f9d569b [0,2,0,0,0,0|1,1,0]=4 1377 B8R0.4 FCCOCCOCF 50faf2dad833fe3e63e98bde9468a2dc [0,2,0,0,0,0|2,0,0]=4 1378 B8R0.4 FCOCCOCCS 116791f236e7274b8239c1c779308cdb [0,2,0,0,0,0|1,1,0]=4 1379 B8R0.4 N#CC=CCNCCO bd9c1ffb6f301116f96b17e961ddaa30 [0,2,0,0,0,0|1,0,1]=4 1380 B8R0.4 N#CCCCCNCO b6c56dbe4ec4be1fb74a7aa3f8c9d63c [0,2,0,0,0,0|2,0,0]=4 1381 B8R0.4 N#CCCCNCCBr 9646314ae10933380476a0b50b70dd6f [0,2,0,0,0,0|2,0,0]=4 1382 B8R0.4 N#CCCCNCCF f3a3c85a05e2fed60b53151d779a3d57 [0,2,0,0,0,0|2,0,0]=4 1383 B8R0.4 N#CCCCNCCI 6fe32d46c4b09423b360ae2658c34cad [0,2,0,0,0,0|2,0,0]=4 1384 B8R0.4 N#CCCCNCCO 1dbf1dfb1c947fbab873cfb67d68498d [0,2,0,0,0,0|1,0,0]=3 1385 B8R0.4 N#CCCCNCCS f1d4288c7ae95d3ba4fe68122d435f50 [0,2,0,0,0,0|1,1,0]=4 1386 B8R0.4 N#CCCNC/C=C\O e474098d2b34cf1f3f96b223306fe41c [0,2,0,0,0,0|1,0,1]=4 1387 B8R0.4 N#CCCNCCC#N 8f0bac109a00a680da2554f822e8080f [0,2,0,0,0,0|2,0,0]=4 1388 B8R0.4 N#CCCNCCC=O 9cc2d29cdddc221cdc2d9562c603ab42 [0,2,0,0,0,0|1,0,1]=4 1389 B8R0.4 N#CCCNCCCCl 4d26c93a795b8c4868a347eb7cf2f579 [0,2,0,0,0,0|2,0,0]=4 1390 B8R0.4 N#CCCNCCCF 79875045835f8f079925016b65bd29ee [0,2,0,0,0,0|2,0,0]=4 1391 B8R0.4 N#CCCNCCCO 03e45c8fdb4434cec08ca61a1346d851 [0,2,0,0,0,0|1,0,0]=3 1392 B8R0.4 N#CCCNCCCS fb8f8ebe6b101bd7cbbdebe77a3467e8 [0,2,0,0,0,0|1,1,0]=4 1393 B8R0.4 N#CCCNCCON ee3f7fafc8b503c92931d54bd5b3c449 [0,2,0,0,0,0|1,0,0]=3 1394 B8R0.4 N#CCNCC#CCO e5a02a5307cc479747fce8b2fdda4740 [0,2,0,0,0,0|1,0,1]=4 1395 B8R0.4 N#CCNCCCCO b77909d4a72cb9821a3b38b67388a721 [0,2,0,0,0,0|1,0,1]=4 1396 B8R0.4 N#CNCCCCCO d583c9789e660923ecc814b67aac885f [0,2,0,0,0,0|2,0,0]=4 1397 B8R0.4 N#CNCCOCCO 09ed6ab0a5e3f4dd0b56b1cf2a8512d3 [0,2,0,0,0,0|2,0,0]=4 1398 B8R0.4 N#CSCNCCCO 41750ab34f77d5f6c86c0554fc769e7d [0,2,0,0,0,0|1,0,1]=4 1399 B8R0.4 N#CSCNCCON e28c180f5663b215335099b01ad08e88 [0,2,0,0,0,0|1,0,1]=4 1400 B8R0.4 NOCCNC/C=C/Cl 0f23a91e10eb12d5c601386200f7e259 [0,2,0,0,0,0|1,0,1]=4 1401 B8R0.4 NOCCNC/C=C\Cl 4facd7adbeb260c70b9e971655105643 [0,2,0,0,0,0|1,0,1]=4 1402 B8R0.4 NOCCNC/C=C\O 6ad9f60e8aa80aea6252f38a3c0c88b6 [0,2,0,0,0,0|0,0,1]=3 1403 B8R0.4 NOCCNCCC=O a28664bdd7f1423388d38847fe6fa46f [0,2,0,0,0,0|0,0,1]=3 1404 B8R0.4 NOCCNCCCF 8483cad025896473acdf0dcb905aa8c1 [0,2,0,0,0,0|1,0,0]=3 1405 B8R0.4 NOCCNCCCO 774001fb7b569048dbf3827ed251d91b [0,2,0,0,0,0|0,0,0]=2 1406 B8R0.4 NOCCNCCCS 472fcce172ae40137cb5077898e16ed7 [0,2,0,0,0,0|0,1,0]=3 1407 B8R0.4 O/C=C\CNCCCCl db29be0ef4ab6e7b81b2d735c091af58 [0,2,0,0,0,0|1,0,1]=4 1408 B8R0.4 O/C=C\CNCCCO 14ada9ed5b23c992c320c0d37acff264 [0,2,0,0,0,0|0,0,1]=3 1409 B8R0.4 O=CCCCNCCBr 5e09bfc9621932d4fb0368b0d04a42bb [0,2,0,0,0,0|1,0,1]=4 1410 B8R0.4 O=CCCCNCCF 9ef00e7f50632796f91c39cf64b27b1e [0,2,0,0,0,0|1,0,1]=4 1411 B8R0.4 O=CCCCNCCI abb8da695e5124ac987c7d8731b9762b [0,2,0,0,0,0|1,0,1]=4 1412 B8R0.4 O=CCCCNCCO 1bdd2d1ee3e05ff4d3000e48e13914eb [0,2,0,0,0,0|0,0,1]=3 1413 B8R0.4 O=CCCCNCCS 303aeb6b773578a67453b1630ba18dc2 [0,2,0,0,0,0|0,1,1]=4 1414 B8R0.4 O=CCCNCCCCl f16c75c276bf2599e9ae201a54b0ee63 [0,2,0,0,0,0|1,0,1]=4 1415 B8R0.4 O=CCCNCCCO 20d68d5fd2c369dcd2205fd4753202b2 [0,2,0,0,0,0|0,0,1]=3 1416 B8R0.4 O=CCNCC#CCO 199f09255f0b2c9afc23bd32d8751dc4 [0,2,0,0,0,0|0,0,2]=4 1417 B8R0.4 O=CCNCCCCO 7540d6cb2ce4253a8b70f8723f610795 [0,2,0,0,0,0|0,0,2]=4 1418 B8R0.4 O=CNCCCCCO d786d8c3b7589bade0484b0d1e3b2e3b [0,2,0,0,0,0|1,0,1]=4 1419 B8R0.4 O=CNCCOCCO 2965d694fa10a828f84ff41ee0bcab8c [0,2,0,0,0,0|1,0,1]=4 1420 B8R0.4 O=CNCCSCCO 6350af265f31b9f5de0271d49057ec24 [0,2,0,0,0,0|1,0,1]=4 1421 B8R0.4 O=COCCOCCF 3ac9afe53341268fdfe07221ba11eb92 [0,2,0,0,0,0|2,0,0]=4 1422 B8R0.4 O=COCCOCCS e57473f45057007c5c8548c766fce976 [0,2,0,0,0,0|1,1,0]=4 1423 B8R0.4 OCC#CCNCCF 74c85f3c3a177e73b38c21f53deea6f0 [0,2,0,0,0,0|1,0,0]=3 1424 B8R0.4 OCC#CCNCCO a38918e0210fa7aaa13e77b17dff5be4 [0,2,0,0,0,0|0,0,0]=2 1425 B8R0.4 OCC#CCNCCS 39b7052e5e21b5c9ed356433b593b184 [0,2,0,0,0,0|0,1,0]=3 1426 B8R0.4 OCCCCCNCF 25d56bc8c15e4c20f5a184f918113f82 [0,2,0,0,0,0|2,0,0]=4 1427 B8R0.4 OCCCCCNCO 038987fbd20376da0184e7a2bb8e961a [0,2,0,0,0,0|1,0,0]=3 1428 B8R0.4 OCCCCNCCBr b8272bf99e189e04880dcfd730231b2b [0,2,0,0,0,0|1,0,0]=3 1429 B8R0.4 OCCCCNCCF 2daa62cc0028d64bc29fafcad94d748e [0,2,0,0,0,0|1,0,0]=3 1430 B8R0.4 OCCCCNCCI cdb4dde329b0741952f850c2dd02d1b5 [0,2,0,0,0,0|1,0,0]=3 1431 B8R0.4 OCCCCNCCO e72d5640c9e9814577fc90927ba3cf97 [0,2,0,0,0,0|0,0,0]=2 1432 B8R0.4 OCCCCNCCS 5d16d6e12c3caf8d554ea26242ff4070 [0,2,0,0,0,0|0,1,0]=3 1433 B8R0.4 OCCCNC/C=C/Cl a17a1b53f58468b152bb7bf06941b0c6 [0,2,0,0,0,0|1,0,1]=4 1434 B8R0.4 OCCCNC/C=C\Cl 523d4e539a4b22a363005ae021d9b8b4 [0,2,0,0,0,0|1,0,1]=4 1435 B8R0.4 OCCCNCCCCl 44f2130d0900b9b9a2e68588ed818b63 [0,2,0,0,0,0|1,0,0]=3 1436 B8R0.4 OCCCNCCCF 201bb160220db94d82abc76c90013df3 [0,2,0,0,0,0|1,0,0]=3 1437 B8R0.4 OCCCNCCCO edf3eb30c42c02706057aad3f4a6d1c1 [0,2,0,0,0,0|0,0,0]=2 1438 B8R0.4 OCCCNCCCS 75a172a7fa3542a9588af5e5e0868eac [0,2,0,0,0,0|0,1,0]=3 1439 B8R0.4 OCCNCCCCCl a1e2d068725a16b76d30dd03cf072ef5 [0,2,0,0,0,0|1,0,0]=3 1440 B8R0.4 OCCNCCCCF 7519fd252ff10beaab56e21a65ca208e [0,2,0,0,0,0|1,0,0]=3 1441 B8R0.4 OCCNCCCCS 27274de9e3a3d0b9a3b84ebefc58a4e3 [0,2,0,0,0,0|0,1,0]=3 1442 B8R0.4 OCCOCCNCF 1688f9d4b94d3d27a20aedeebca8507f [0,2,0,0,0,0|2,0,0]=4 1443 B8R0.4 OCCOCCNCO b8376885fd98d838d1a745a28251ecc5 [0,2,0,0,0,0|1,0,0]=3 1444 B8R0.4 OCCSCCNCF cb5b3cf00adab2a34aa5e895e0a9f1fa [0,2,0,0,0,0|2,0,0]=4 1445 B8R0.4 OCCSCCNCO 3980bb589c09e1402dc3f13ea70bae04 [0,2,0,0,0,0|1,0,0]=3 1446 B8R0.4 OCNCCCCCCl e4dd2c6014a8adf50a81d9204a644674 [0,2,0,0,0,0|2,0,0]=4 1447 B8R0.4 OCNCCOCCS 571ee11f0d3575a556c292dd6fae310f [0,2,0,0,0,0|1,1,0]=4 1448 B8R0.4 SCCCCNCCS bbc20384e5a691b033ac2653063e3ebf [0,2,0,0,0,0|0,2,0]=4 1449 B8R0.4 SCCCNCCCCl 6fdfe443a1562b7aec0e4a4555e2e602 [0,2,0,0,0,0|1,1,0]=4 1450 B8R0.4 SCCNCCCCCl 74b3cd616c7f88cf9fb2283763fb5c22 [0,2,0,0,0,0|1,1,0]=4 1451 B8R0.6 C#CC(C)NCCCO 5695008b6e686f1d3515ae64dcbfd5e3 [0,2,0,0,0,0|1,0,1]=4 1452 B8R0.6 C#CC(C)NCCOC 5ee692798a77e47ad171cadaac0392fc [0,2,0,0,0,0|1,0,1]=4 1453 B8R0.6 C#CC(C)NCCON a49fdebc98dbe357fa5fcad538272e7e [0,2,0,0,0,0|1,0,1]=4 1454 B8R0.6 C#CCCNC(=O)CO 245d05e33dd6d7c5b17cadbb8fcf8809 [0,2,0,0,0,0|1,0,1]=4 1455 B8R0.6 C#CCCNC(C)CC 20dbc89ebb1d4b44652853687cb2fa8a [0,2,0,0,0,0|2,0,0]=4 1456 B8R0.6 C#CCCNC(C)CO bd125bcf60acb00eb012e341efeceee1 [0,2,0,0,0,0|1,0,0]=3 1457 B8R0.6 C#CCCN[C@@H](C)CC 4a7010201ccb7b47856e7a8857c46bdd [0,2,0,0,0,0|2,0,0]=4 1458 B8R0.6 C#CCCN[C@@H](C)CO f40c5290647210dbcdd01337c55b86f9 [0,2,0,0,0,0|1,0,0]=3 1459 B8R0.6 C#CCCN[C@H](C)CC 71b14d97b24dcddba8a32db992a64beb [0,2,0,0,0,0|2,0,0]=4 1460 B8R0.6 C#CCCN[C@H](C)CO 92603e7476a039c3558c8e59f681d91c [0,2,0,0,0,0|1,0,0]=3 1461 B8R0.6 C#CCNCC(=C)CO 42432a70ec1ccb8753363732e84a243b [0,2,0,0,0,0|1,0,1]=4 1462 B8R0.6 C#CCNCC(=O)CO a3c792cf03c227602ef2fbb618cf5767 [0,2,0,0,0,0|1,0,1]=4 1463 B8R0.6 C#CCNCC(C)CO 4dafaea07cd1d2c4fd8d1eef01bb163c [0,2,0,0,0,0|1,0,1]=4 1464 B8R0.6 C#CCNCC(C)OC 08516eb0b1f89a3add8bc78a1d31ff80 [0,2,0,0,0,0|1,0,1]=4 1465 B8R0.6 C#CCNCC(F)CO 453be563e0dbcd8a776eac87d10fe0c3 [0,2,0,0,0,0|1,0,1]=4 1466 B8R0.6 C#CCNCC(O)C=C 8e9c0d7e1ff1c84b2b4fa6685ea9e369 [0,2,0,0,0,0|1,0,1]=4 1467 B8R0.6 C#CCNCC(O)CC 68f70068a6ca890420d84e93203c1bb9 [0,2,0,0,0,0|1,0,1]=4 1468 B8R0.6 C#CCNCC(O)CF 55567d2d200c268077a1c15b1cd2678c [0,2,0,0,0,0|1,0,1]=4 1469 B8R0.6 C#CCNCC(O)CO 5dfeb2103cac40b3fae052d83a04ac8b [0,2,0,0,0,0|1,0,1]=4 1470 B8R0.6 C#CCNC[C@@H](C)CO be172572d975451509ddd0021c65cb13 [0,2,0,0,0,0|1,0,1]=4 1471 B8R0.6 C#CCNC[C@@H](C)OC a688b6bee7345bb873e80251c0c72ac5 [0,2,0,0,0,0|1,0,1]=4 1472 B8R0.6 C#CCNC[C@@H](F)CO 4a69202386c75d7365fa38be38875fa8 [0,2,0,0,0,0|1,0,1]=4 1473 B8R0.6 C#CCNC[C@@H](O)CO 59b1c076b9e6e3b25fadb15e582e86c0 [0,2,0,0,0,0|1,0,1]=4 1474 B8R0.6 C#CCNC[C@H](C)CO 81b9352d99df0103677975ec9eadacc5 [0,2,0,0,0,0|1,0,1]=4 1475 B8R0.6 C#CCNC[C@H](C)OC 9bcc352a0c7b4d33c5e88c5c1264b35f [0,2,0,0,0,0|1,0,1]=4 1476 B8R0.6 C#CCNC[C@H](F)CO f815a417a0251d4e9f1f510b153c5059 [0,2,0,0,0,0|1,0,1]=4 1477 B8R0.6 C#CCNC[C@H](O)CC 60b3fc51fd2347c9eede92d6af0b9e71 [0,2,0,0,0,0|1,0,1]=4 1478 B8R0.6 C#CCNC[C@H](O)CO 5f58959add7828b94445afd40544e1aa [0,2,0,0,0,0|1,0,1]=4 1479 B8R0.6 C#C[C@@H](C)NCCCO 7cfbf49d28ccc61526b3275daf51ec17 [0,2,0,0,0,0|1,0,1]=4 1480 B8R0.6 C#C[C@@H](C)NCCOC 8322e03e63b50cde8d68c5162e8452dd [0,2,0,0,0,0|1,0,1]=4 1481 B8R0.6 C#C[C@H](C)NCCCO 634aff1d670f6154e19400816c693df3 [0,2,0,0,0,0|1,0,1]=4 1482 B8R0.6 C#C[C@H](C)NCCOC 2ec540d5d63b289db7030d0f0dc074cb [0,2,0,0,0,0|1,0,1]=4 1483 B8R0.6 C/C=C/CNC(C)CO bba8dbf0fee5054bf9ab54d443af80dc [0,2,0,0,0,0|1,0,1]=4 1484 B8R0.6 C/C=C/CN[C@@H](C)CO 4127afd17a311c964f405e8372c6f0d4 [0,2,0,0,0,0|1,0,1]=4 1485 B8R0.6 C/C=C/CN[C@H](C)CO c540cc85f7406a345f35ef9a77d2db27 [0,2,0,0,0,0|1,0,1]=4 1486 B8R0.6 C/C=C\CNC(C)CO 75d7903a04f50834b603e948e13b7d46 [0,2,0,0,0,0|1,0,1]=4 1487 B8R0.6 C/C=C\CN[C@@H](C)CO 1658aa06967e9cc30f7dd209c8879a92 [0,2,0,0,0,0|1,0,1]=4 1488 B8R0.6 C/C=C\CN[C@H](C)CO e751366bb6353bf65b49aa5f12cb2d06 [0,2,0,0,0,0|1,0,1]=4 1489 B8R0.6 C=C(C#N)CNCCO 93029918308f51e88a12a27e216fd745 [0,2,0,0,0,0|1,0,1]=4 1490 B8R0.6 C=C(CC)CNCCBr 2997f31300e075e12280de78a538d6f2 [0,2,0,0,0,0|2,0,0]=4 1491 B8R0.6 C=C(CC)CNCCC 13f11be9634d172790672a2fd9a9840c [0,2,0,0,0,0|2,0,0]=4 1492 B8R0.6 C=C(CC)CNCCF 85aeaea14bf77498afd0be50514993fb [0,2,0,0,0,0|2,0,0]=4 1493 B8R0.6 C=C(CC)CNCCI 9c0b35da1e0c58b009e99741b9bb42bf [0,2,0,0,0,0|2,0,0]=4 1494 B8R0.6 C=C(CC)CNCCO 223a30784a1107a501d92d7e0122084b [0,2,0,0,0,0|1,0,0]=3 1495 B8R0.6 C=C(CC)CNCCS 1b35fc01c4a35914bb8ff69eeb12966e [0,2,0,0,0,0|1,1,0]=4 1496 B8R0.6 C=C(CNCCBr)OC efbac263e7650d3962d08edf3ce114db [0,2,0,0,0,0|1,0,1]=4 1497 B8R0.6 C=C(CNCCC)OC 087b8e9db7c5cf69f544a95d2e04b5df [0,2,0,0,0,0|1,0,1]=4 1498 B8R0.6 C=C(CNCCF)OC 0e8256fb644c0f85910115699008ab8e [0,2,0,0,0,0|1,0,1]=4 1499 B8R0.6 C=C(CNCCI)OC fcef31f506379ae7bbc30bf7d4c63099 [0,2,0,0,0,0|1,0,1]=4 1500 B8R0.6 C=C(CNCCO)OC 134961a9d4e5df4956eb4f36508e1326 [0,2,0,0,0,0|0,0,1]=3 1501 B8R0.6 C=C(CNCCS)OC ce06596f455c7bf3f5895fe9ae52a28f [0,2,0,0,0,0|0,1,1]=4 1502 B8R0.6 C=C(CO)CNCC#N 038cea948d2425092ee0404f74acde19 [0,2,0,0,0,0|1,0,1]=4 1503 B8R0.6 C=C(CO)CNCCBr 1538cd8f5a19aefe9ac0222cecb7abd4 [0,2,0,0,0,0|1,0,0]=3 1504 B8R0.6 C=C(CO)CNCCC 1a3d72efe9d3ce84e285b2c8b91ed59f [0,2,0,0,0,0|1,0,0]=3 1505 B8R0.6 C=C(CO)CNCCF 3eb09a81d0db8d32f14af9b7972e103d [0,2,0,0,0,0|1,0,0]=3 1506 B8R0.6 C=C(CO)CNCCI 796bcf6c376951ccd776953135c6e059 [0,2,0,0,0,0|1,0,0]=3 1507 B8R0.6 C=C(CO)CNCCO 894d7668b7763d0cb8a4050ef9b33650 [0,2,0,0,0,0|0,0,0]=2 1508 B8R0.6 C=C(CO)CNCCS dfc962103906ef519e3299dc9c138cef [0,2,0,0,0,0|0,1,0]=3 1509 B8R0.6 C=CC(C)NCCCO 2d9cfab7f333bcb59c9f88b477754a7a [0,2,0,0,0,0|1,0,1]=4 1510 B8R0.6 C=CC(C)NCCOC a710c3e2053d147ad52da620b12b4dba [0,2,0,0,0,0|1,0,1]=4 1511 B8R0.6 C=CC(C)NCCON ed2f503e16ffb89e0dac84ef89b6d5f2 [0,2,0,0,0,0|1,0,1]=4 1512 B8R0.6 C=CC(O)CNCC#N 76d6768f7af787d55d6485d13fe2530e [0,2,0,0,0,0|1,0,1]=4 1513 B8R0.6 C=CC(O)CNCC=O eea2ac5deb572c6334fda4b1caa7fa47 [0,2,0,0,0,0|0,0,2]=4 1514 B8R0.6 C=CC(O)CNCCC 250d400a4869db06d0ddc8aa5ab26738 [0,2,0,0,0,0|1,0,0]=3 1515 B8R0.6 C=CC(O)CNCCF 0d4993498a1055847724e70ade581451 [0,2,0,0,0,0|1,0,0]=3 1516 B8R0.6 C=CC(O)CNCCO 7f00d2ff0d27f8b814277143a2bc18f9 [0,2,0,0,0,0|0,0,0]=2 1517 B8R0.6 C=CC(O)CNCCS 4e0c558cb75acbabb0690b53be293642 [0,2,0,0,0,0|0,1,0]=3 1518 B8R0.6 C=CC(O)CNCOC 9e4daa80151f490572899ba2872e6457 [0,2,0,0,0,0|2,0,0]=4 1519 B8R0.6 C=CC(O)CNCSC ccd36626b3942410e77d689a28d70952 [0,2,0,0,0,0|2,0,0]=4 1520 B8R0.6 C=CCCNC(=O)CO 98f6aad136129263a9e12af8510e3e51 [0,2,0,0,0,0|1,0,1]=4 1521 B8R0.6 C=CCCNC(C)CC f885cbdaaa18710cec8775d0fc08c804 [0,2,0,0,0,0|2,0,0]=4 1522 B8R0.6 C=CCCNC(C)CO 4c19367b66c3870cb1b9b059820dfae4 [0,2,0,0,0,0|1,0,0]=3 1523 B8R0.6 C=CCCN[C@@H](C)CC 999e8371ea0e07c999dbfb955513b106 [0,2,0,0,0,0|2,0,0]=4 1524 B8R0.6 C=CCCN[C@@H](C)CO bd75d5ba5552ec3b4468e50c48f577dc [0,2,0,0,0,0|1,0,0]=3 1525 B8R0.6 C=CCCN[C@H](C)CC 07aa1c8af6a68bcbd328411f213e0d5f [0,2,0,0,0,0|2,0,0]=4 1526 B8R0.6 C=CCCN[C@H](C)CO dcb6aa26546bb9950f8526419d01344b [0,2,0,0,0,0|1,0,0]=3 1527 B8R0.6 C=CCNCC(C)CO 0349751dd72119d1ec86991336485e44 [0,2,0,0,0,0|1,0,1]=4 1528 B8R0.6 C=CCNCC(F)CO 3273093c24bd04a1388c4be3f055a1bd [0,2,0,0,0,0|1,0,1]=4 1529 B8R0.6 C=CCNCC(O)C=C 75dc427957c2a57c3f167770f9ed3467 [0,2,0,0,0,0|1,0,1]=4 1530 B8R0.6 C=CCNCC(O)CC 5db360d29daafe062d6edb9c4c1b2a38 [0,2,0,0,0,0|1,0,1]=4 1531 B8R0.6 C=CCNCC(O)CO 12d9c7ed6f0bf5fa1ee3b1fd1316b921 [0,2,0,0,0,0|1,0,1]=4 1532 B8R0.6 C=CCNC[C@@H](C)OC b7562211711e7dd3c0c532f66c1ea725 [0,2,0,0,0,0|1,0,1]=4 1533 B8R0.6 C=CCNC[C@@H](F)CO dafaeca7b3733d0b2d5cbf1a0965d5be [0,2,0,0,0,0|1,0,1]=4 1534 B8R0.6 C=CCNC[C@@H](O)CO d201d03248462fb29c2769fa551c9908 [0,2,0,0,0,0|1,0,1]=4 1535 B8R0.6 C=CCNC[C@H](C)CO 83df800fa1fe19eaa9c32210c081717f [0,2,0,0,0,0|1,0,1]=4 1536 B8R0.6 C=CCNC[C@H](C)OC f2ade53da8dc35e9501abf5457bf836b [0,2,0,0,0,0|1,0,1]=4 1537 B8R0.6 C=CCNC[C@H](F)CO ca8ee44d16ad2f6912e3c6ad8291cb79 [0,2,0,0,0,0|1,0,1]=4 1538 B8R0.6 C=CCNC[C@H](O)CC 8931fa143d036244108e7a41dc0ec5c3 [0,2,0,0,0,0|1,0,1]=4 1539 B8R0.6 C=CCNC[C@H](O)CO 16898f67ff229b2336da87db45ab0890 [0,2,0,0,0,0|1,0,1]=4 1540 B8R0.6 CC#CCNC(C)CO 23e225c7d8666e7cd9fab71c3c02027b [0,2,0,0,0,0|1,0,1]=4 1541 B8R0.6 CC#CCN[C@@H](C)CO 1068d83bc36bbc672c0603497ce936ec [0,2,0,0,0,0|1,0,1]=4 1542 B8R0.6 CC#CCN[C@H](C)CO 2fcdc2f813137919a6a940204b2c29f8 [0,2,0,0,0,0|1,0,1]=4 1543 B8R0.6 CC(C#N)CNCCBr 97db75225dab8a459a01b576e62f1f5d [0,2,0,0,0,0|2,0,0]=4 1544 B8R0.6 CC(C#N)CNCCF 22b74462d18353489fd4582b173d84c0 [0,2,0,0,0,0|2,0,0]=4 1545 B8R0.6 CC(C#N)CNCCI 79328ca0709fdfbc71e54b0e8cca97dc [0,2,0,0,0,0|2,0,0]=4 1546 B8R0.6 CC(C#N)CNCCO ea131cb3d4d88a2d04b70b20cedb1fa6 [0,2,0,0,0,0|1,0,0]=3 1547 B8R0.6 CC(C#N)CNCCS 218ac3dd763e10fc6e2672cccc699778 [0,2,0,0,0,0|1,1,0]=4 1548 B8R0.6 CC(C#N)NCCCO af1424d1b810eaf76a219a918f4f4c17 [0,2,0,0,0,0|1,0,1]=4 1549 B8R0.6 CC(C#N)NCCON 2132bc369e231fb4c1254af75612c200 [0,2,0,0,0,0|1,0,1]=4 1550 B8R0.6 CC(C=O)NCCCO f3e3ec90d7bece69f286a3910d2673a3 [0,2,0,0,0,0|0,0,2]=4 1551 B8R0.6 CC(C=O)NCCON 74e37fbd94732254048517739053fcdc [0,2,0,0,0,0|0,0,2]=4 1552 B8R0.6 CC(CO)CCNCF 0ad022df943d764ef145e0f8d30541a7 [0,2,0,0,0,0|2,0,0]=4 1553 B8R0.6 CC(CO)CCNCO 4f74fd9c430ee94cbd99d6a6caafb46e [0,2,0,0,0,0|1,0,0]=3 1554 B8R0.6 CC(CO)CNCC#N 19191138a32c85497460d7014800e5aa [0,2,0,0,0,0|1,0,1]=4 1555 B8R0.6 CC(CO)CNCC=O 18b721b702015f9166f9e0a533c4ee44 [0,2,0,0,0,0|0,0,2]=4 1556 B8R0.6 CC(CO)CNCCBr d121d103935777f751c1c7b6b5f9b62f [0,2,0,0,0,0|1,0,0]=3 1557 B8R0.6 CC(CO)CNCCF 88c6f1091bf9f5c91a3f9be8331f0eb2 [0,2,0,0,0,0|1,0,0]=3 1558 B8R0.6 CC(CO)CNCCI 8370d8f29561179547fc3444e79dfad7 [0,2,0,0,0,0|1,0,0]=3 1559 B8R0.6 CC(CO)CNCCO 999d507f7ca6cc28527d7a2703f569b7 [0,2,0,0,0,0|0,0,0]=2 1560 B8R0.6 CC(CO)CNCCS afcdeaa8fef3530e70b1f054b0bb82c1 [0,2,0,0,0,0|0,1,0]=3 1561 B8R0.6 CC(CO)NC/C=C/Cl e85c6cba55fbc32e807e13a185514fde [0,2,0,0,0,0|1,0,1]=4 1562 B8R0.6 CC(CO)NC/C=C\Cl fd86317c147f43b78fe3b36a88b5c105 [0,2,0,0,0,0|1,0,1]=4 1563 B8R0.6 CC(CO)NC/C=C\O 863bde8c36bfb83c6f68a59b71383ce3 [0,2,0,0,0,0|0,0,1]=3 1564 B8R0.6 CC(CO)NCCC#N 599351de4645639bced86f46d0a39d56 [0,2,0,0,0,0|1,0,0]=3 1565 B8R0.6 CC(CO)NCCC=O 2a49eedaae162f27c224c004e49e642c [0,2,0,0,0,0|0,0,1]=3 1566 B8R0.6 CC(CO)NCCCCl 445654afe332a8f4e48709b338e385a8 [0,2,0,0,0,0|1,0,0]=3 1567 B8R0.6 CC(CO)NCCCF 628689b624b32c3b4fdc5cadc93b28b3 [0,2,0,0,0,0|1,0,0]=3 1568 B8R0.6 CC(CO)NCCCO 499b6197ac53017ec71cd3e4679adfdc [0,2,0,0,0,0|0,0,0]=2 1569 B8R0.6 CC(CO)NCCCS 3c0f32602249770b39d3cf2b86ad6dd2 [0,2,0,0,0,0|0,1,0]=3 1570 B8R0.6 CC(CO)NCCON 2d87d48dbc6882830ae343f7f3a8c35b [0,2,0,0,0,0|0,0,0]=2 1571 B8R0.6 CC(CO)NCSC#N 9e39b8a55ab909eb81fdf1d7d5e138af [0,2,0,0,0,0|1,0,1]=4 1572 B8R0.6 CC=CCNC(C)CO 62b395f84f12504c6319a268077bb022 [0,2,0,0,0,0|1,0,1]=4 1573 B8R0.6 CC=CCN[C@@H](C)CO 86a56294cce9491c91b550c6e8d06d0a [0,2,0,0,0,0|1,0,1]=4 1574 B8R0.6 CC=CCN[C@H](C)CO e0fbc90cdd92c5e39134da5764e5dd8a [0,2,0,0,0,0|1,0,1]=4 1575 B8R0.6 CCC(=O)CNCCBr 4ae86c97534187fa67e366dfd1eebd3b [0,2,0,0,0,0|2,0,0]=4 1576 B8R0.6 CCC(=O)CNCCF 0bc469d08994cf5b5fbc36250b4ccf28 [0,2,0,0,0,0|2,0,0]=4 1577 B8R0.6 CCC(=O)CNCCI 652e280753f4ad7ee550469669c66e91 [0,2,0,0,0,0|2,0,0]=4 1578 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [0,2,0,0,0,0|1,0,0]=3 1579 B8R0.6 CCC(=O)CNCCS 5d6e1d449d9df5ddcd81a9e54a1f9bcc [0,2,0,0,0,0|1,1,0]=4 1580 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [0,2,0,0,0,0|1,0,1]=4 1581 B8R0.6 CCC(=O)NCCOC 23e877e020a2c5b2736fc6a95b7c4f02 [0,2,0,0,0,0|1,0,1]=4 1582 B8R0.6 CCC(=O)NCCON 5aa4ed8a34147e98db8513bba6021eb1 [0,2,0,0,0,0|1,0,1]=4 1583 B8R0.6 CCC(C)CCNCO a717183e2753a65ce41087de67df43e3 [0,2,0,0,0,0|2,0,0]=4 1584 B8R0.6 CCC(C)CNCCBr f2c1acb694015090e62b525b7fcc63c1 [0,2,0,0,0,0|2,0,0]=4 1585 B8R0.6 CCC(C)CNCCF 2769db0f6fb5ed4083dc6fe23af3689f [0,2,0,0,0,0|2,0,0]=4 1586 B8R0.6 CCC(C)CNCCI 3d06760a9b56f4c07583e19b707193ff [0,2,0,0,0,0|2,0,0]=4 1587 B8R0.6 CCC(C)CNCCO 155e71acafbdad94431c08477c016c1f [0,2,0,0,0,0|1,0,0]=3 1588 B8R0.6 CCC(C)CNCCS 5c126473eb834dd2e643033d1f0f9ac2 [0,2,0,0,0,0|1,1,0]=4 1589 B8R0.6 CCC(C)NC/C=C\O 818543bea0e96b4a0313764957053b41 [0,2,0,0,0,0|1,0,1]=4 1590 B8R0.6 CCC(C)NCCC#N 9e04618e0f9590bb3f73f12735b7a355 [0,2,0,0,0,0|2,0,0]=4 1591 B8R0.6 CCC(C)NCCC=O 315da1f228cd97e2635c09e3abdec4cc [0,2,0,0,0,0|1,0,1]=4 1592 B8R0.6 CCC(C)NCCCCl 3c30fde6c5168ee70cde18df169dc1ce [0,2,0,0,0,0|2,0,0]=4 1593 B8R0.6 CCC(C)NCCCF 67c9382accd96be051c233c106bd6818 [0,2,0,0,0,0|2,0,0]=4 1594 B8R0.6 CCC(C)NCCCO 3a0518777cbee3c7e45bb22e20c87d57 [0,2,0,0,0,0|1,0,0]=3 1595 B8R0.6 CCC(C)NCCCS 305cc88eaf0bb6e07e1ce30e503bc156 [0,2,0,0,0,0|1,1,0]=4 1596 B8R0.6 CCC(C)NCCOC c25488696c4e2089a7e730cde3ffad4c [0,2,0,0,0,0|1,0,0]=3 1597 B8R0.6 CCC(C)NCCON 6395e58d539f3295d755078dcbfef5b5 [0,2,0,0,0,0|1,0,0]=3 1598 B8R0.6 CCC(C)NCCSC a7b869a85f7710a25c36dcb603db041a [0,2,0,0,0,0|1,1,0]=4 1599 B8R0.6 CCC(C)OCCOC 0f412b4c400bcc343476480e66445e27 [0,2,0,0,0,0|2,0,0]=4 1600 B8R0.6 CCC(O)CNCC#N 3be64d674cc12b1441f3e05d8ba2392f [0,2,0,0,0,0|1,0,1]=4 1601 B8R0.6 CCC(O)CNCC=O 54e64a65f08901b7347dcf1abc24dda0 [0,2,0,0,0,0|0,0,2]=4 1602 B8R0.6 CCC(O)CNCCBr e2edc0ed761b04f9e42e0bfe3130b7c4 [0,2,0,0,0,0|1,0,0]=3 1603 B8R0.6 CCC(O)CNCCF 7c3f9931d25397f538ac2b825e8e2390 [0,2,0,0,0,0|1,0,0]=3 1604 B8R0.6 CCC(O)CNCCI ec21990b8ca8b131d3bfcc4fdea9ff92 [0,2,0,0,0,0|1,0,0]=3 1605 B8R0.6 CCC(O)CNCCO 0f04ff5d22921fddd4b4780d1da4ee6b [0,2,0,0,0,0|0,0,0]=2 1606 B8R0.6 CCC(O)CNCCS af4d3531d9811cf0462def51ad90232b [0,2,0,0,0,0|0,1,0]=3 1607 B8R0.6 CCC(O)CNCOC 7e726222b7d1cf65b1b34e06014a8122 [0,2,0,0,0,0|2,0,0]=4 1608 B8R0.6 CCC(O)CNCSC 90eb85890f9346ff85a79d6fda8b686c [0,2,0,0,0,0|2,0,0]=4 1609 B8R0.6 CCCCCN(C)CO 702cd1b5f55dd49ef03de9639f750f5d [0,2,0,0,0,0|2,0,0]=4 1610 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,2,0,0,0,0|1,0,1]=4 1611 B8R0.6 CCCCNC(C)CC 2d727d0865e21d5f41a267ce6ca08059 [0,2,0,0,0,0|2,0,0]=4 1612 B8R0.6 CCCCNC(C)CO a4efa04835aec462a506dc09510b7daa [0,2,0,0,0,0|1,0,0]=3 1613 B8R0.6 CCCCN[C@@H](C)CC a2ad9889b2a85548549a6f2a7991a4fa [0,2,0,0,0,0|2,0,0]=4 1614 B8R0.6 CCCCN[C@@H](C)CO d8f5c76ec16b14b85f3ea7c0c7c506ec [0,2,0,0,0,0|1,0,0]=3 1615 B8R0.6 CCCCN[C@H](C)CC 3ba343d5b09052d6e4ca4f315fa7a56a [0,2,0,0,0,0|2,0,0]=4 1616 B8R0.6 CCCCN[C@H](C)CO 8c5ff7f1c65ebff164beb494dca30506 [0,2,0,0,0,0|1,0,0]=3 1617 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,2,0,0,0,0|2,0,0]=4 1618 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,2,0,0,0,0|1,0,0]=3 1619 B8R0.6 CCCNCC(=O)NO ef6f70702891ae45e4d4bb0573b2f089 [0,2,0,0,0,0|1,0,1]=4 1620 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [0,2,0,0,0,0|1,0,1]=4 1621 B8R0.6 CCCNCC(Br)CBr d2a5ecd1bc3d122593813288dad63c81 [0,2,0,0,0,0|2,0,0]=4 1622 B8R0.6 CCCNCC(C)C#N 7a8f25cbe4eafecbfad37f34e9676995 [0,2,0,0,0,0|2,0,0]=4 1623 B8R0.6 CCCNCC(C)CC dfac60b2da2755308d3835afbc0d45f5 [0,2,0,0,0,0|2,0,0]=4 1624 B8R0.6 CCCNCC(C)CO bada9382d7478daf22189069037ac93e [0,2,0,0,0,0|1,0,0]=3 1625 B8R0.6 CCCNCC(C)OC bd6716a4c02dbafa7f9c481c37c944c0 [0,2,0,0,0,0|1,0,0]=3 1626 B8R0.6 CCCNCC(F)CO 1fbd267406b42948814f2731c74a697d [0,2,0,0,0,0|1,0,0]=3 1627 B8R0.6 CCCNCC(O)CC 418992374fd97112480430826829281d [0,2,0,0,0,0|1,0,0]=3 1628 B8R0.6 CCCNCC(O)CF 6b148f8c0ee064ed8d543b5039e523f2 [0,2,0,0,0,0|1,0,0]=3 1629 B8R0.6 CCCNCC(O)CO ef4d49b8ea36802719349f3b133e1e99 [0,2,0,0,0,0|1,0,0]=3 1630 B8R0.6 CCCNC[C@@H](C)CC 73078e899264ad747d5de555aa4e0e85 [0,2,0,0,0,0|2,0,0]=4 1631 B8R0.6 CCCNC[C@@H](C)CO e2e04f216e2cf7289ffbc090d47f4872 [0,2,0,0,0,0|1,0,0]=3 1632 B8R0.6 CCCNC[C@@H](C)OC 712811cbf0634af356bd0b3d815e320d [0,2,0,0,0,0|1,0,0]=3 1633 B8R0.6 CCCNC[C@@H](F)CO 2e4db86e61d98ce82db032e44095de49 [0,2,0,0,0,0|1,0,0]=3 1634 B8R0.6 CCCNC[C@@H](O)CO dafe9b91bd25493db5b4fd00556e2ba2 [0,2,0,0,0,0|1,0,0]=3 1635 B8R0.6 CCCNC[C@H](C)CC eb45f8e833f0797e2ccdb45de94e8f7b [0,2,0,0,0,0|2,0,0]=4 1636 B8R0.6 CCCNC[C@H](C)CO defe9877a5fa0f3089777deffa950668 [0,2,0,0,0,0|1,0,0]=3 1637 B8R0.6 CCCNC[C@H](C)OC 4d27d55773d254ee8a45a0433e267214 [0,2,0,0,0,0|1,0,0]=3 1638 B8R0.6 CCCNC[C@H](F)CO 3389b643e0aff855320122ad6471828f [0,2,0,0,0,0|1,0,0]=3 1639 B8R0.6 CCCNC[C@H](O)CC 9211d5b7ca8f98bcbe3545d0e681e4b6 [0,2,0,0,0,0|1,0,0]=3 1640 B8R0.6 CCCNC[C@H](O)CO 96300a66a4a3502656d1a73cb7a7e894 [0,2,0,0,0,0|1,0,0]=3 1641 B8R0.6 CCCOCC(C)OC 86e432709025d8d66d578a47ae11b938 [0,2,0,0,0,0|2,0,0]=4 1642 B8R0.6 CCCOCC(O)CO e3d68b35eac8a2da37baf7fe7e391754 [0,2,0,0,0,0|2,0,0]=4 1643 B8R0.6 CCCOC[C@@H](C)OC 1926133421e267d531d7481f3e43e385 [0,2,0,0,0,0|2,0,0]=4 1644 B8R0.6 CCCOC[C@@H](O)CO 292517bf917aa7914b143c3ebbc55ed5 [0,2,0,0,0,0|2,0,0]=4 1645 B8R0.6 CCCOC[C@H](C)OC 932ff7b543b44a4374b83d4adcb8d986 [0,2,0,0,0,0|2,0,0]=4 1646 B8R0.6 CCCOC[C@H](O)CO ae68310a2d1586d5cf02e87027d392be [0,2,0,0,0,0|2,0,0]=4 1647 B8R0.6 CCN(C)CCCCO ef06c44e12b4087385bee7efb58bc669 [0,2,0,0,0,0|2,0,0]=4 1648 B8R0.6 CCNCCC(C)CO ffe66682733dd9abfb03c881d931d81e [0,2,0,0,0,0|2,0,0]=4 1649 B8R0.6 CCNCCC(O)CO 922f46c9d655f5bd845de1a77bb9960c [0,2,0,0,0,0|2,0,0]=4 1650 B8R0.6 CCNCC[C@@H](C)CO ffdff460ce93129e3bafc62c0c27431e [0,2,0,0,0,0|2,0,0]=4 1651 B8R0.6 CCOCNC(C)CC a50cfb6bab39a8e8ca1df13c044b9618 [0,2,0,0,0,0|2,0,0]=4 1652 B8R0.6 CCOCNC(C)CO 5ebcdf59239cfcc35f4b7f61ea4515b6 [0,2,0,0,0,0|1,0,0]=3 1653 B8R0.6 CCOCN[C@@H](C)CC eafd6067d8849e68d1c8e6372c09bb92 [0,2,0,0,0,0|2,0,0]=4 1654 B8R0.6 CCOCN[C@@H](C)CO 3158c0d2f8da9a26d663d5ea0a2a9bf3 [0,2,0,0,0,0|1,0,0]=3 1655 B8R0.6 CCOCN[C@H](C)CC 7124a0d463babe6fa7c8959fa3126e15 [0,2,0,0,0,0|2,0,0]=4 1656 B8R0.6 CCOCN[C@H](C)CO 4ab6995009caf0fe7f374102e397ab9f [0,2,0,0,0,0|1,0,0]=3 1657 B8R0.6 CC[C@@H](C)CNCCBr 97d367e508fd39dc3ddcec44a8683cec [0,2,0,0,0,0|2,0,0]=4 1658 B8R0.6 CC[C@@H](C)CNCCF 371b9b1c5529111d353d598e0b5660cb [0,2,0,0,0,0|2,0,0]=4 1659 B8R0.6 CC[C@@H](C)CNCCI 32d54f8cdc3ec06753f18e3bb05477b7 [0,2,0,0,0,0|2,0,0]=4 1660 B8R0.6 CC[C@@H](C)CNCCO e1fd496afac14166a64ee9248481c552 [0,2,0,0,0,0|1,0,0]=3 1661 B8R0.6 CC[C@@H](C)CNCCS e87b39ea520a94f7427ff9e1f94a277c [0,2,0,0,0,0|1,1,0]=4 1662 B8R0.6 CC[C@@H](C)NC/C=C\O b3c906b4f962e4324ee0f2eb29040690 [0,2,0,0,0,0|1,0,1]=4 1663 B8R0.6 CC[C@@H](C)NCCC#N 47246973971343e74c2c367b75371f8e [0,2,0,0,0,0|2,0,0]=4 1664 B8R0.6 CC[C@@H](C)NCCC=O 7e1102ccaaec525d37867fc7a78c5909 [0,2,0,0,0,0|1,0,1]=4 1665 B8R0.6 CC[C@@H](C)NCCCF 5505371a202bfecabfd929226673cd4e [0,2,0,0,0,0|2,0,0]=4 1666 B8R0.6 CC[C@@H](C)NCCCO dc42ae2f8c45e28af7ed7e47c2ed7508 [0,2,0,0,0,0|1,0,0]=3 1667 B8R0.6 CC[C@@H](C)NCCCS d018b350a4f6c69980561293a6f52a5a [0,2,0,0,0,0|1,1,0]=4 1668 B8R0.6 CC[C@@H](C)NCCOC 9bc6267f1aec0efa010d02896e34635b [0,2,0,0,0,0|1,0,0]=3 1669 B8R0.6 CC[C@@H](C)NCCSC 3870552ed0d765a76f3d579fe3568814 [0,2,0,0,0,0|1,1,0]=4 1670 B8R0.6 CC[C@@H](C)OCCOC db30ac2bff0c750a2289ad4cf8a04d34 [0,2,0,0,0,0|2,0,0]=4 1671 B8R0.6 CC[C@@H](O)CNCC#N 8dbda76dacee43b9f56b443d5bf51e10 [0,2,0,0,0,0|1,0,1]=4 1672 B8R0.6 CC[C@@H](O)CNCC=O e6c97da33124e077a1a003eda729d8a4 [0,2,0,0,0,0|0,0,2]=4 1673 B8R0.6 CC[C@@H](O)CNCCF ab2179a61a0061db8ccb5d6628318056 [0,2,0,0,0,0|1,0,0]=3 1674 B8R0.6 CC[C@@H](O)CNCCO 2d13f38d004c7cf2314b4c12b78a382f [0,2,0,0,0,0|0,0,0]=2 1675 B8R0.6 CC[C@@H](O)CNCCS f07a3a4faf31bc76369ee3588298a97a [0,2,0,0,0,0|0,1,0]=3 1676 B8R0.6 CC[C@@H](O)CNCOC c15579c32ff0b418e45b4ce562e1544d [0,2,0,0,0,0|2,0,0]=4 1677 B8R0.6 CC[C@@H](O)CNCSC 602f6216f9b7c4d64254ea6d16f3608f [0,2,0,0,0,0|2,0,0]=4 1678 B8R0.6 CC[C@H](C)CNCCBr 2e85ca9af829ee3543f995580cf76d82 [0,2,0,0,0,0|2,0,0]=4 1679 B8R0.6 CC[C@H](C)CNCCF fd752c7a6560f165a21d0e39ed53ebde [0,2,0,0,0,0|2,0,0]=4 1680 B8R0.6 CC[C@H](C)CNCCI 26f262acafd0f04ce8a19af0b38e24de [0,2,0,0,0,0|2,0,0]=4 1681 B8R0.6 CC[C@H](C)CNCCO b6e69a08d3d39a8bf31c308cc288716e [0,2,0,0,0,0|1,0,0]=3 1682 B8R0.6 CC[C@H](C)CNCCS 8becd07c6bd7a230f4fc120a932c3696 [0,2,0,0,0,0|1,1,0]=4 1683 B8R0.6 CC[C@H](C)NC/C=C\O fba44c9072095af513e500375848defd [0,2,0,0,0,0|1,0,1]=4 1684 B8R0.6 CC[C@H](C)NCCC#N 21098fb0575477acb44aaf5e0970ee50 [0,2,0,0,0,0|2,0,0]=4 1685 B8R0.6 CC[C@H](C)NCCC=O a962ffc26cc849df8f10ed5a3a3f3407 [0,2,0,0,0,0|1,0,1]=4 1686 B8R0.6 CC[C@H](C)NCCCF d08d092d569ce6563951c753af4fb97c [0,2,0,0,0,0|2,0,0]=4 1687 B8R0.6 CC[C@H](C)NCCCO ecbac2a864467c7a08e0fe04708373c7 [0,2,0,0,0,0|1,0,0]=3 1688 B8R0.6 CC[C@H](C)NCCCS cdf23c371c67ce79e2901b4af058d9c9 [0,2,0,0,0,0|1,1,0]=4 1689 B8R0.6 CC[C@H](C)NCCOC 38a5269e53cebe3176cb690b2be4e7fa [0,2,0,0,0,0|1,0,0]=3 1690 B8R0.6 CC[C@H](C)NCCSC b6fc5b7faab69eb04934aa5da5f5a009 [0,2,0,0,0,0|1,1,0]=4 1691 B8R0.6 CC[C@H](C)OCCOC fe75e9412a4cbec1e3be8b753803fef8 [0,2,0,0,0,0|2,0,0]=4 1692 B8R0.6 CN(CF)CCCCO 9cdee7e6fc3462a89ee4c09b4bdf06be [0,2,0,0,0,0|2,0,0]=4 1693 B8R0.6 CN(CO)CC#CCO fe9ce928194f9e090d254fb83e7f7301 [0,2,0,0,0,0|1,0,1]=4 1694 B8R0.6 CN(CO)CCCCO 95b34bd6810255fa2c6a80302969d8a4 [0,2,0,0,0,0|1,0,0]=3 1695 B8R0.6 CNC(=O)CNCCO 6524c53498939c1e86b45867695a7210 [0,2,0,0,0,0|0,0,2]=4 1696 B8R0.6 COC(=O)CNCCBr e28aeca94e61f0de9c0ea2f9b9e87e88 [0,2,0,0,0,0|1,0,1]=4 1697 B8R0.6 COC(=O)CNCCF d4a8c2b68347ac06f3cf07a0af263386 [0,2,0,0,0,0|1,0,1]=4 1698 B8R0.6 COC(=O)CNCCI 45efb0e66cb53512c5450123a0571534 [0,2,0,0,0,0|1,0,1]=4 1699 B8R0.6 COC(=O)CNCCO 9abf03e13c5594ade083b34dd22b9514 [0,2,0,0,0,0|0,0,1]=3 1700 B8R0.6 COC(=O)CNCCS dafa382862b39c74b9bcdca9e45699c9 [0,2,0,0,0,0|0,1,1]=4 1701 B8R0.6 COC(C)CNCC#N 3e2bd86bb0d1f4dedfb7bcbede0da956 [0,2,0,0,0,0|1,0,1]=4 1702 B8R0.6 COC(C)CNCCBr 343df0611702d315f20ba2f6e4b5d89e [0,2,0,0,0,0|1,0,0]=3 1703 B8R0.6 COC(C)CNCCF 10866d4849ed6a7df5091f46a6ea088f [0,2,0,0,0,0|1,0,0]=3 1704 B8R0.6 COC(C)CNCCI 8fad70571733b4fba11deb0bfcd773f8 [0,2,0,0,0,0|1,0,0]=3 1705 B8R0.6 COC(C)CNCCO 0f8da2fe020173b495a919bb7366dd98 [0,2,0,0,0,0|0,0,0]=2 1706 B8R0.6 COC(C)CNCCS f3b08876a57f08b549aea7a7a64ef627 [0,2,0,0,0,0|0,1,0]=3 1707 B8R0.6 COC(C)COCCF 5159862ff77079abf873c153601e6960 [0,2,0,0,0,0|2,0,0]=4 1708 B8R0.6 COC(C)COCCS 01eabf4ff56744b1f00192cd8f7d9372 [0,2,0,0,0,0|1,1,0]=4 1709 B8R0.6 COCCCN(C)CO a3856969af6f9c73d1fa163ffb103625 [0,2,0,0,0,0|2,0,0]=4 1710 B8R0.6 COCCNC(=O)CF a94db18f72aef2ec4c716239c23c2008 [0,2,0,0,0,0|1,0,1]=4 1711 B8R0.6 COCCNC(=O)CO d671289b16ab36037d0c8d78118b8d68 [0,2,0,0,0,0|0,0,1]=3 1712 B8R0.6 COCCNC(=O)CS 4b3174b27751971a4c745429c4f67196 [0,2,0,0,0,0|0,1,1]=4 1713 B8R0.6 COCCNC(C)C#N c8ce76eae4dd54c085e626124b0a4882 [0,2,0,0,0,0|1,0,1]=4 1714 B8R0.6 COCCNC(C)C=O b04cbb0a4cdf90a8659326a2cf39eb2e [0,2,0,0,0,0|0,0,2]=4 1715 B8R0.6 COCCNC(C)CO c390190648710b9656729f61660a1ea2 [0,2,0,0,0,0|0,0,0]=2 1716 B8R0.6 COCCN[C@@H](C)CO 31e33a95d7a54296089a78a2eec17cfa [0,2,0,0,0,0|0,0,0]=2 1717 B8R0.6 COCCN[C@H](C)C=O 07f0113f3333cc700db2bdba012dc811 [0,2,0,0,0,0|0,0,2]=4 1718 B8R0.6 COCCN[C@H](C)CO 4149e644494b54610597168cd93a21bb [0,2,0,0,0,0|0,0,0]=2 1719 B8R0.6 COCCOC(C)CF a2156770e90e7393f057d64d5cc2608d [0,2,0,0,0,0|2,0,0]=4 1720 B8R0.6 COCCOC(C)CS ea4c32bfc0f4d77a145474fd16da19d5 [0,2,0,0,0,0|1,1,0]=4 1721 B8R0.6 COCCO[C@H](C)CS df8f906fe7e4e6345d305aaf2f4edd82 [0,2,0,0,0,0|1,1,0]=4 1722 B8R0.6 COCNCC(C)CO 7a2e0eee430810ea3ea4debc59a5516e [0,2,0,0,0,0|2,0,0]=4 1723 B8R0.6 COCNCC(F)CO 3b1571ec76f3509c5f9d5c0eabd29d20 [0,2,0,0,0,0|2,0,0]=4 1724 B8R0.6 COCNCC(O)CO f34d96d8e4b68d1058fd44662e3e2171 [0,2,0,0,0,0|2,0,0]=4 1725 B8R0.6 COCNC[C@@H](C)OC 8719badde24da218495728acf9da382d [0,2,0,0,0,0|2,0,0]=4 1726 B8R0.6 COCNC[C@@H](F)CO 24a7cd7c4d9540dc5eb1cd6d821cecec [0,2,0,0,0,0|2,0,0]=4 1727 B8R0.6 COCNC[C@@H](O)CO d03c7948f8713a4dcb41d4452ede6ace [0,2,0,0,0,0|2,0,0]=4 1728 B8R0.6 COCNC[C@H](C)CO 231f84dac728a289d40b3e3a902f7d0a [0,2,0,0,0,0|2,0,0]=4 1729 B8R0.6 COCNC[C@H](C)OC 0a6541aa22390aaad41f3e5d8953386c [0,2,0,0,0,0|2,0,0]=4 1730 B8R0.6 COCNC[C@H](F)CO cc52652202198b860d51d84128ce61f2 [0,2,0,0,0,0|2,0,0]=4 1731 B8R0.6 COCNC[C@H](O)CO ef23d47a36d140c4af988d3ff04c8ad3 [0,2,0,0,0,0|2,0,0]=4 1732 B8R0.6 COCOCC(O)CO 4362e0a65d2987caa67ddd9f8dca3e6f [0,2,0,0,0,0|2,0,0]=4 1733 B8R0.6 COCOC[C@@H](O)CO c3e8fda1105283052f872560b7347fec [0,2,0,0,0,0|2,0,0]=4 1734 B8R0.6 COCOC[C@H](O)CO f5c2a14fa6c66c5e35a3f6f7277438fa [0,2,0,0,0,0|2,0,0]=4 1735 B8R0.6 CO[C@@H](C)CNCC#N 32711019160bbec97ac03f6165cb7194 [0,2,0,0,0,0|1,0,1]=4 1736 B8R0.6 CO[C@@H](C)CNCC=O 2b4a7e30da32bc7234bd11589f11e153 [0,2,0,0,0,0|0,0,2]=4 1737 B8R0.6 CO[C@@H](C)CNCCBr 575520c7f8c5474ebd1a904f097eda0b [0,2,0,0,0,0|1,0,0]=3 1738 B8R0.6 CO[C@@H](C)CNCCF aee6edb2eb80cfeeadac0acf7e33fac1 [0,2,0,0,0,0|1,0,0]=3 1739 B8R0.6 CO[C@@H](C)CNCCI b65ec83d63f1e1893ea7f614e7bae64a [0,2,0,0,0,0|1,0,0]=3 1740 B8R0.6 CO[C@@H](C)CNCCO bdc5af120e21fed0e9f5ff90640d6138 [0,2,0,0,0,0|0,0,0]=2 1741 B8R0.6 CO[C@@H](C)CNCCS a5e9464e04656120c787441fd79c0eab [0,2,0,0,0,0|0,1,0]=3 1742 B8R0.6 CO[C@@H](C)CNCSC 78931860676203d976e0374c798e7258 [0,2,0,0,0,0|2,0,0]=4 1743 B8R0.6 CO[C@@H](C)COCCF 9de32b5c20f229d509647aa46de5af21 [0,2,0,0,0,0|2,0,0]=4 1744 B8R0.6 CO[C@@H](C)COCCS ba23216a89cb693c1a306650cc6ad1f9 [0,2,0,0,0,0|1,1,0]=4 1745 B8R0.6 CO[C@H](C)CNCC#N 73f86d733f41a94d3ee38226796c3bb2 [0,2,0,0,0,0|1,0,1]=4 1746 B8R0.6 CO[C@H](C)CNCC=O 7ca0dc6a01650113664fa48ed0e0ea51 [0,2,0,0,0,0|0,0,2]=4 1747 B8R0.6 CO[C@H](C)CNCCBr 569141d3b7c9c39130902631da0de609 [0,2,0,0,0,0|1,0,0]=3 1748 B8R0.6 CO[C@H](C)CNCCF 1d79eaee53d341a8b7c0bca1964a4b8b [0,2,0,0,0,0|1,0,0]=3 1749 B8R0.6 CO[C@H](C)CNCCI ef50295858d4acfee43909b511e6075c [0,2,0,0,0,0|1,0,0]=3 1750 B8R0.6 CO[C@H](C)CNCCO eb0d14126ad888b1d3378c286328a08a [0,2,0,0,0,0|0,0,0]=2 1751 B8R0.6 CO[C@H](C)CNCCS aba97d35ef4ac3709331e9b6c733191d [0,2,0,0,0,0|0,1,0]=3 1752 B8R0.6 CO[C@H](C)CNCSC c3d3388a32eb99bbae83c0a117ed495b [0,2,0,0,0,0|2,0,0]=4 1753 B8R0.6 CO[C@H](C)COCCF 331b775553b628c61f60475d9f4716e1 [0,2,0,0,0,0|2,0,0]=4 1754 B8R0.6 CO[C@H](C)COCCS a0b19a1c6390e25349d6d4b4dc06403c [0,2,0,0,0,0|1,1,0]=4 1755 B8R0.6 CSCCNC(=O)CO 65e8216c2feaa293039f65fdae32ef6d [0,2,0,0,0,0|0,1,1]=4 1756 B8R0.6 CSCCNC(C)CO eb710b0198f2b39e52336e903ad250ef [0,2,0,0,0,0|0,1,0]=3 1757 B8R0.6 CSCCN[C@@H](C)CO cfc28bd1fda6abe13c274ff1bd20f592 [0,2,0,0,0,0|0,1,0]=3 1758 B8R0.6 CSCCN[C@H](C)CO c317f5fd9170c648d9158d4d47f133a4 [0,2,0,0,0,0|0,1,0]=3 1759 B8R0.6 CSCNCC(C)CO 30d6810084fc22efb1676f23075f8fd5 [0,2,0,0,0,0|2,0,0]=4 1760 B8R0.6 CSCNCC(F)CO 7c8ae59ece6cccaad32a73bf245162dc [0,2,0,0,0,0|2,0,0]=4 1761 B8R0.6 CSCNCC(O)CO cb05f125dcbccb30b28b53900d8a0755 [0,2,0,0,0,0|2,0,0]=4 1762 B8R0.6 CSCNC[C@@H](F)CO 945cfabea34ce3fc06a0f0438d225517 [0,2,0,0,0,0|2,0,0]=4 1763 B8R0.6 CSCNC[C@@H](O)CO d50aeb52d7e9e038cf848ed9329fb9af [0,2,0,0,0,0|2,0,0]=4 1764 B8R0.6 CSCNC[C@H](C)CO 76e60afc5906be27708da6c5f83715d2 [0,2,0,0,0,0|2,0,0]=4 1765 B8R0.6 CSCNC[C@H](F)CO a75eed4278b72ce58be4019b98472b0d [0,2,0,0,0,0|2,0,0]=4 1766 B8R0.6 CSCNC[C@H](O)CO 543435a3cd29a0d217aec1eaeca7cd36 [0,2,0,0,0,0|2,0,0]=4 1767 B8R0.6 C[C@@H](CO)CCNCF 3210926d329af58818ccb69287cbc51b [0,2,0,0,0,0|2,0,0]=4 1768 B8R0.6 C[C@@H](CO)CCNCO ff87c146d1d5bb26efd73e902a99fe58 [0,2,0,0,0,0|1,0,0]=3 1769 B8R0.6 C[C@@H](CO)CNCC#N cbecb262eff2984e76112ee332cdac03 [0,2,0,0,0,0|1,0,1]=4 1770 B8R0.6 C[C@@H](CO)CNCCBr d50c5d51afa5943537be1cc5a65b13a8 [0,2,0,0,0,0|1,0,0]=3 1771 B8R0.6 C[C@@H](CO)CNCCF 3c604134a748abd2f2f86e254315e04a [0,2,0,0,0,0|1,0,0]=3 1772 B8R0.6 C[C@@H](CO)CNCCI dede1b94588103839adb40049889bb5d [0,2,0,0,0,0|1,0,0]=3 1773 B8R0.6 C[C@@H](CO)CNCCO 9af5b268cdbbb48fe80cc31700cfc4a2 [0,2,0,0,0,0|0,0,0]=2 1774 B8R0.6 C[C@@H](CO)CNCCS 83b8105b81b35043285dd51f7cdbc743 [0,2,0,0,0,0|0,1,0]=3 1775 B8R0.6 C[C@@H](CO)NC/C=C/Cl 18266e3f8125c21ff15d4646d32ceca9 [0,2,0,0,0,0|1,0,1]=4 1776 B8R0.6 C[C@@H](CO)NC/C=C\Cl e58fa946d137a236777901c680b55fa3 [0,2,0,0,0,0|1,0,1]=4 1777 B8R0.6 C[C@@H](CO)NC/C=C\O 45a094bc2921ed0e2e1cbf733c7b806b [0,2,0,0,0,0|0,0,1]=3 1778 B8R0.6 C[C@@H](CO)NCCC#N 9b47ca7037a39fa2cb70b95347a732ad [0,2,0,0,0,0|1,0,0]=3 1779 B8R0.6 C[C@@H](CO)NCCC=O 608fd81196e1155374938b5ce9be9d11 [0,2,0,0,0,0|0,0,1]=3 1780 B8R0.6 C[C@@H](CO)NCCCCl a6ec4ecbbee7732eecc2142389b09ab9 [0,2,0,0,0,0|1,0,0]=3 1781 B8R0.6 C[C@@H](CO)NCCCF 31cf9f118cf1a14935561884c7390a5c [0,2,0,0,0,0|1,0,0]=3 1782 B8R0.6 C[C@@H](CO)NCCCO 6461b70f844a39969873e06a3571a000 [0,2,0,0,0,0|0,0,0]=2 1783 B8R0.6 C[C@@H](CO)NCCCS 1a9d4e91723411ccd622ff9972062908 [0,2,0,0,0,0|0,1,0]=3 1784 B8R0.6 C[C@@H](CO)NCCON b86e4490bea9c251fcfbdabf7ccd65e7 [0,2,0,0,0,0|0,0,0]=2 1785 B8R0.6 C[C@@H](CO)NCSC#N 83544a3505f0b8b564ee52f1e18893ea [0,2,0,0,0,0|1,0,1]=4 1786 B8R0.6 C[C@H](C=O)NCCCO 8f472ce1305fcb3f83b357c37349df87 [0,2,0,0,0,0|0,0,2]=4 1787 B8R0.6 C[C@H](C=O)NCCON 5f36436e9f2e76846c3319840ed43a3d [0,2,0,0,0,0|0,0,2]=4 1788 B8R0.6 C[C@H](CO)CNCC#N 8b1b453678b0d39e0d5732bd3afd782e [0,2,0,0,0,0|1,0,1]=4 1789 B8R0.6 C[C@H](CO)CNCC=O ce3576180443b7d133df7f39370d8756 [0,2,0,0,0,0|0,0,2]=4 1790 B8R0.6 C[C@H](CO)CNCCBr 4b0b7fe680b6c331915fa2277d8376d4 [0,2,0,0,0,0|1,0,0]=3 1791 B8R0.6 C[C@H](CO)CNCCF e9a6aeb3654dc0602a6d1f17983b36d4 [0,2,0,0,0,0|1,0,0]=3 1792 B8R0.6 C[C@H](CO)CNCCI b4abad2c74077a8495cda50f2e51cd04 [0,2,0,0,0,0|1,0,0]=3 1793 B8R0.6 C[C@H](CO)CNCCO b2b4657fd14e0249f6aeb2840e730b6b [0,2,0,0,0,0|0,0,0]=2 1794 B8R0.6 C[C@H](CO)CNCCS be5c40b1ea1bff877fe6e3aade52274e [0,2,0,0,0,0|0,1,0]=3 1795 B8R0.6 C[C@H](CO)NC/C=C/Cl f769a7790d41f892a7160723e4cdf075 [0,2,0,0,0,0|1,0,1]=4 1796 B8R0.6 C[C@H](CO)NC/C=C\Cl 0f7256acb9b32911cb351a4b2e77adff [0,2,0,0,0,0|1,0,1]=4 1797 B8R0.6 C[C@H](CO)NC/C=C\O 749ce7ab9bd716be17b43d12111daef8 [0,2,0,0,0,0|0,0,1]=3 1798 B8R0.6 C[C@H](CO)NCCC#N c416f9db40fb35291b905d89100c1a10 [0,2,0,0,0,0|1,0,0]=3 1799 B8R0.6 C[C@H](CO)NCCC=O c6b2b9a5a05147f280b25371b2bca5f0 [0,2,0,0,0,0|0,0,1]=3 1800 B8R0.6 C[C@H](CO)NCCCCl 0659f39184bb25db88c7e15cb4100ad3 [0,2,0,0,0,0|1,0,0]=3 1801 B8R0.6 C[C@H](CO)NCCCF 4d6f15b96ddc97660fdd9cec9ddf4d83 [0,2,0,0,0,0|1,0,0]=3 1802 B8R0.6 C[C@H](CO)NCCCO 0891af69e95a2685b6435db9477f8286 [0,2,0,0,0,0|0,0,0]=2 1803 B8R0.6 C[C@H](CO)NCCCS 37fda87e44e17ab9f7aa84f9ecc716ff [0,2,0,0,0,0|0,1,0]=3 1804 B8R0.6 C[C@H](CO)NCCON 9e9795d5252b395a47b49b9a4ae93e12 [0,2,0,0,0,0|0,0,0]=2 1805 B8R0.6 C[C@H](CO)NCSC#N c9bf05db51553f8dfdc814c923e3093e [0,2,0,0,0,0|1,0,1]=4 1806 B8R0.6 FCCNCC(Br)CBr e8b1e39a7c3392068255217046ef4aab [0,2,0,0,0,0|2,0,0]=4 1807 B8R0.6 N#CCCNC(=O)CO 87c406c5bc0dc45a014108f83918aa54 [0,2,0,0,0,0|1,0,1]=4 1808 B8R0.6 N#CCNCC(=O)CO 5e8f28f2fb25f63df04e6bffce39c5fd [0,2,0,0,0,0|1,0,1]=4 1809 B8R0.6 N#CCNCC(F)CO c88ae4556e88c02100c375527445d808 [0,2,0,0,0,0|1,0,1]=4 1810 B8R0.6 N#CCNCC(O)CF 572fc486ba61c422747d5bd58a8434f5 [0,2,0,0,0,0|1,0,1]=4 1811 B8R0.6 N#CCNCC(O)CO ad46fc0dfc8ef316defba249dd5fb686 [0,2,0,0,0,0|1,0,1]=4 1812 B8R0.6 N#CCNC[C@@H](F)CO b9cb9e33454c3f06bdf4da7e455b694d [0,2,0,0,0,0|1,0,1]=4 1813 B8R0.6 N#CCNC[C@@H](O)CO 6fd8f4a4e8ea3814d3d07aaec448a5b7 [0,2,0,0,0,0|1,0,1]=4 1814 B8R0.6 N#CCNC[C@H](F)CO c8c57e08777c9e0b49918254eaee878c [0,2,0,0,0,0|1,0,1]=4 1815 B8R0.6 N#CCNC[C@H](O)CO c22ed8f83fb0bc964fcedfeb01c49381 [0,2,0,0,0,0|1,0,1]=4 1816 B8R0.6 NOCCNC(=O)CF 46907fa58646111f9869cb76f3fa548d [0,2,0,0,0,0|1,0,1]=4 1817 B8R0.6 NOCCNC(=O)CO d33eb512bcee6c5a14c6336e1dded456 [0,2,0,0,0,0|0,0,1]=3 1818 B8R0.6 NOCCNC(=O)CS 0e95ecc1ba2742311363fa4125fb38fb [0,2,0,0,0,0|0,1,1]=4 1819 B8R0.6 O=C(CF)NCCCO f98476c767e724b095b3ceb9c47c191c [0,2,0,0,0,0|1,0,1]=4 1820 B8R0.6 O=C(CNCCF)NO 4ede23953c58be1266bfab49008bd398 [0,2,0,0,0,0|1,0,1]=4 1821 B8R0.6 O=C(CNCCO)NO 9399a3f3247500214a3724c003b791f0 [0,2,0,0,0,0|0,0,1]=3 1822 B8R0.6 O=C(CNCCS)NO 6bd3c1ae8f710265188a27a831a6425d [0,2,0,0,0,0|0,1,1]=4 1823 B8R0.6 O=C(CO)CNCCBr 4b4dd4df91e92b925ca40ac918c073a9 [0,2,0,0,0,0|1,0,0]=3 1824 B8R0.6 O=C(CO)CNCCF 9f05edaf4811ba7f9ac498eb6a37ffc4 [0,2,0,0,0,0|1,0,0]=3 1825 B8R0.6 O=C(CO)CNCCI fad7dbe7caa4eb2201e5d92c6c999ddf [0,2,0,0,0,0|1,0,0]=3 1826 B8R0.6 O=C(CO)CNCCO 8473c1767740ea9d135f46111299d63c [0,2,0,0,0,0|0,0,0]=2 1827 B8R0.6 O=C(CO)CNCCS 0b181a826e47050c4e6ba69a8d17fa11 [0,2,0,0,0,0|0,1,0]=3 1828 B8R0.6 O=C(CO)NCCCCl 0c789d035d9d5ee643962906d4106d8a [0,2,0,0,0,0|1,0,1]=4 1829 B8R0.6 O=C(CO)NCCCO 8d20a4d16a68281342a6c9aa794f8168 [0,2,0,0,0,0|0,0,1]=3 1830 B8R0.6 O=C(CS)NCCCO 9609fec7c0df8b51e8b529e1db0af996 [0,2,0,0,0,0|0,1,1]=4 1831 B8R0.6 O=CCNCC(F)CO 46d395441643b8391343b1608d225a77 [0,2,0,0,0,0|0,0,2]=4 1832 B8R0.6 O=CCNCC(O)CO fda7899aa326db8479a7cf6ed9ff5496 [0,2,0,0,0,0|0,0,2]=4 1833 B8R0.6 O=CCNC[C@@H](F)CO 5e18cd98a50b003516d72cc51ca3a1a4 [0,2,0,0,0,0|0,0,2]=4 1834 B8R0.6 O=CCNC[C@@H](O)CO cfa882ca9454e8329a6128be9a5cb6e1 [0,2,0,0,0,0|0,0,2]=4 1835 B8R0.6 O=CCNC[C@H](F)CO daaf806b3ec268a7d82f89fcafa4ccb5 [0,2,0,0,0,0|0,0,2]=4 1836 B8R0.6 O=CCNC[C@H](O)CO 7ac55096fec47b7cc6006cf27ed82417 [0,2,0,0,0,0|0,0,2]=4 1837 B8R0.6 OC(CF)CNCCBr e2c1408e25a44b6932edb2be746900e3 [0,2,0,0,0,0|1,0,0]=3 1838 B8R0.6 OC(CF)CNCCF c225cb98c86411ffda99f751f7b49303 [0,2,0,0,0,0|1,0,0]=3 1839 B8R0.6 OC(CF)CNCCI f15bd7c7d12035ee4db1d06a44e576a8 [0,2,0,0,0,0|1,0,0]=3 1840 B8R0.6 OC(CF)CNCCS 748ff82e8c92c38cb89a0edd56be368e [0,2,0,0,0,0|0,1,0]=3 1841 B8R0.6 OCC(F)CNCCF 47b25da389d463b01b79a9fdcc81a66d [0,2,0,0,0,0|1,0,0]=3 1842 B8R0.6 OCC(F)CNCCS 08d2169dfc97c42d68c7254ebcc0d01e [0,2,0,0,0,0|0,1,0]=3 1843 B8R0.6 OCC(O)CCNCF 6ae225196f47d62edfde75946a275dce [0,2,0,0,0,0|2,0,0]=4 1844 B8R0.6 OCC(O)CNCCBr 48456846c30fb2cd80410df91ba922cd [0,2,0,0,0,0|1,0,0]=3 1845 B8R0.6 OCC(O)CNCCF 486ad0be20ac234fb97d554cd4725cdb [0,2,0,0,0,0|1,0,0]=3 1846 B8R0.6 OCC(O)CNCCI ab7c4efe16eae56960cfd4f29da1069e [0,2,0,0,0,0|1,0,0]=3 1847 B8R0.6 OCC(O)CNCCS 1b433268079bae75a899d333ee138ba8 [0,2,0,0,0,0|0,1,0]=3 1848 B8R0.6 OCC(O)COCCF 91309beab62a92e3962cdec5b23bbec6 [0,2,0,0,0,0|2,0,0]=4 1849 B8R0.6 OCC(O)COCCS 11c4145305017c20d95afef8228be481 [0,2,0,0,0,0|1,1,0]=4 1850 B8R0.6 OCCNC/C(=C/Cl)/Cl 797115ed1fd19b2f3500c29a1338faba [0,2,0,0,0,0|1,0,1]=4 1851 B8R0.6 OCCNCC(Br)CBr b5ebf233541fc75829e07f045114bc88 [0,2,0,0,0,0|1,0,0]=3 1852 B8R0.6 OCCNCC(F)CO c49eba70ba235443a64b3fdb137219cd [0,2,0,0,0,0|0,0,0]=2 1853 B8R0.6 OCCNCC(O)CF 055c6757713e7b161c53f55599d9e270 [0,2,0,0,0,0|0,0,0]=2 1854 B8R0.6 OCCNCC(O)CO 2bd81f0952b437dd5d8c74e7e9498d67 [0,2,0,0,0,0|0,0,0]=2 1855 B8R0.6 OCCNC[C@@H](F)CO f0a8569733061565e77df74ca5d97b0a [0,2,0,0,0,0|0,0,0]=2 1856 B8R0.6 OCCNC[C@@H](O)CO 3a70652799d086adb423c669e6a10903 [0,2,0,0,0,0|0,0,0]=2 1857 B8R0.6 OCCNC[C@H](F)CO 97f3758f135f3ad80a6e4096fcc72261 [0,2,0,0,0,0|0,0,0]=2 1858 B8R0.6 OCCNC[C@H](O)CO 23828904787e116a56e14e243225b589 [0,2,0,0,0,0|0,0,0]=2 1859 B8R0.6 OCNCCC(O)CO ab112e92fa7cfd97de47cb5c63a031d1 [0,2,0,0,0,0|1,0,0]=3 1860 B8R0.6 OC[C@@H](F)CNCCF 71fdee11ded3c4308f379d61e33e03eb [0,2,0,0,0,0|1,0,0]=3 1861 B8R0.6 OC[C@@H](F)CNCCS 05424800e1306ed275f6467a9d4080a1 [0,2,0,0,0,0|0,1,0]=3 1862 B8R0.6 OC[C@@H](O)CNCCBr 52f574822f1298d63a718b1dee2a4aaf [0,2,0,0,0,0|1,0,0]=3 1863 B8R0.6 OC[C@@H](O)CNCCF 450926fc7ce18700450c0b4c4bd1c0d5 [0,2,0,0,0,0|1,0,0]=3 1864 B8R0.6 OC[C@@H](O)CNCCI 31bcea4d23bdd252f39e029d81fc1798 [0,2,0,0,0,0|1,0,0]=3 1865 B8R0.6 OC[C@@H](O)CNCCS 30f3b5378aa5b2a47490fac8435ddd30 [0,2,0,0,0,0|0,1,0]=3 1866 B8R0.6 OC[C@@H](O)COCCF 68d80ce8e60326c47efc2884d2701380 [0,2,0,0,0,0|2,0,0]=4 1867 B8R0.6 OC[C@@H](O)COCCS 8eeeb5965531d9c08bb7cf1971a2b79f [0,2,0,0,0,0|1,1,0]=4 1868 B8R0.6 OC[C@H](F)CNCCF bbf8bd99395ca1e217b9e444b50f1808 [0,2,0,0,0,0|1,0,0]=3 1869 B8R0.6 OC[C@H](F)CNCCS 034ceb360b46caf7d721809f49ad431a [0,2,0,0,0,0|0,1,0]=3 1870 B8R0.6 OC[C@H](O)CNCCBr 859058731099b8f26ddf9f9d530149c2 [0,2,0,0,0,0|1,0,0]=3 1871 B8R0.6 OC[C@H](O)CNCCF e342de38ae2803b296d0aa7f308aa239 [0,2,0,0,0,0|1,0,0]=3 1872 B8R0.6 OC[C@H](O)CNCCI 801400b956b9ae578f0f68405c58f9e8 [0,2,0,0,0,0|1,0,0]=3 1873 B8R0.6 OC[C@H](O)CNCCS 3b4563590bbd3562521224e97a0dd6f5 [0,2,0,0,0,0|0,1,0]=3 1874 B8R0.6 OC[C@H](O)COCCF a74dc5b935c262c75710fe9902cacfdd [0,2,0,0,0,0|2,0,0]=4 1875 B8R0.6 OC[C@H](O)COCCS c083125ce8b89ea9b3c6795662743fb9 [0,2,0,0,0,0|1,1,0]=4 1876 B8R0.6 SCCNCC(Br)CBr 9ed33fdcb24a9acffaeb733be16b7efa [0,2,0,0,0,0|1,1,0]=4 1877 B8R0.7 C#CCCNCC(=O)O a62cfb736e7f82a3494237514cacf08e [0,2,0,0,0,0|1,0,1]=4 1878 B8R0.7 C#CCCNCC(C)C e10dab758f95491c9440691e96a3d863 [0,2,0,0,0,0|2,0,0]=4 1879 B8R0.7 C#CCCNCC(C)O 450df4b466845ab16a8023c6c8a1abb8 [0,2,0,0,0,0|1,0,0]=3 1880 B8R0.7 C#CCCNCC(F)F d79c170153aa72b181cc20ce0e2d7889 [0,2,0,0,0,0|2,0,0]=4 1881 B8R0.7 C#CCCNC[C@@H](C)O 6a7d217dec6552161d289050b209ddaa [0,2,0,0,0,0|1,0,0]=3 1882 B8R0.7 C#CCCNC[C@H](C)O 062bcd7e93df504ee56c8e19e7153d09 [0,2,0,0,0,0|1,0,0]=3 1883 B8R0.7 C#CCNCCC(=O)O 6efd5e85084acab9c542105691239e32 [0,2,0,0,0,0|1,0,1]=4 1884 B8R0.7 C#CCNCCC(C)O 82c98b254385bb322da160907d65ecd9 [0,2,0,0,0,0|1,0,1]=4 1885 B8R0.7 C#CCNCCS(=O)O 7ff05c6a9740070d86609c48acf0edce [0,2,0,0,0,0|1,0,1]=4 1886 B8R0.7 C#CCNCC[C@@H](C)O 0fa02f77629f17beb07e4bd6eb60821d [0,2,0,0,0,0|1,0,1]=4 1887 B8R0.7 C#CCNCC[C@H](C)O a3b8ab56f85174b419bff3ab36fb6802 [0,2,0,0,0,0|1,0,1]=4 1888 B8R0.7 C/C(=C/CNCCO)/I e7788fa36159fd206e0a3b27854cfd27 [0,2,0,0,0,0|1,0,1]=4 1889 B8R0.7 C/C(=C\CNCCO)/Cl 49bb7565d9837c47c95956eb00cdffbb [0,2,0,0,0,0|1,0,1]=4 1890 B8R0.7 C/C=C/CNCC(C)O 706b7ee4e3f651c4ef21af8a02fff587 [0,2,0,0,0,0|1,0,1]=4 1891 B8R0.7 C/C=C/CNC[C@@H](C)O 9cc88730a7b6c5f02a9d2f5e6f67c4e4 [0,2,0,0,0,0|1,0,1]=4 1892 B8R0.7 C/C=C/CNC[C@H](C)O 1acf4707ce0333163ff659136cf2b6da [0,2,0,0,0,0|1,0,1]=4 1893 B8R0.7 C/C=C\CNCC(C)O 4872f4c901dc8cc56679a0801ea5fa82 [0,2,0,0,0,0|1,0,1]=4 1894 B8R0.7 C/C=C\CNC[C@@H](C)O 8a926f9e7738c9540aa2a6d2f41bc645 [0,2,0,0,0,0|1,0,1]=4 1895 B8R0.7 C/C=C\CNC[C@H](C)O adad592ebec3ffb5ca56dd53da3fb565 [0,2,0,0,0,0|1,0,1]=4 1896 B8R0.7 C=C(Br)CNCCCO 9593077d2863d607f3d2693354ee7a70 [0,2,0,0,0,0|1,0,1]=4 1897 B8R0.7 C=C(Br)CNCCOC 2f37d09dfbde25a8329e0bab5cba9d06 [0,2,0,0,0,0|1,0,1]=4 1898 B8R0.7 C=C(Br)CNCCON 2b070794c064b0cfe59fdb5eddee40a8 [0,2,0,0,0,0|1,0,1]=4 1899 B8R0.7 C=C(C)CCNCCBr 7ced6d8c6e32bc1f876500890047cded [0,2,0,0,0,0|2,0,0]=4 1900 B8R0.7 C=C(C)CCNCCC 4d1900f680cbfef6ffe5a77e2294dd65 [0,2,0,0,0,0|2,0,0]=4 1901 B8R0.7 C=C(C)CCNCCF 8569016bcb7348aaa45008d66f5f6a2c [0,2,0,0,0,0|2,0,0]=4 1902 B8R0.7 C=C(C)CCNCCI d20ef749df3249ef9aaad80f778516f3 [0,2,0,0,0,0|2,0,0]=4 1903 B8R0.7 C=C(C)CCNCCO 21920b0882725c69be4c5ff08469b5db [0,2,0,0,0,0|1,0,0]=3 1904 B8R0.7 C=C(C)CCNCCS 2f2e2170dcd696655a54f1153dbc50c6 [0,2,0,0,0,0|1,1,0]=4 1905 B8R0.7 C=C(C)CNCCCO 4c5bf90b2f32d3a4f10f165a15242432 [0,2,0,0,0,0|1,0,1]=4 1906 B8R0.7 C=C(C)CNCCOC 9d11af89280f819077ad9c1b1c3e595f [0,2,0,0,0,0|1,0,1]=4 1907 B8R0.7 C=C(C)CNCCON 9c6b8a562452fc0bf302ecc1ca1cf54d [0,2,0,0,0,0|1,0,1]=4 1908 B8R0.7 C=C(Cl)CNCCCO 3beb85068c88a196e26a5ca82d7fe904 [0,2,0,0,0,0|1,0,1]=4 1909 B8R0.7 C=C(Cl)CNCCOC d2b942d0401395267b6bea2fb57d8d54 [0,2,0,0,0,0|1,0,1]=4 1910 B8R0.7 C=C(Cl)CNCCON 604552368f32141c1480f423df238381 [0,2,0,0,0,0|1,0,1]=4 1911 B8R0.7 C=C(F)CNCCCO 72f99c7c070c8ad65be7786b4c8e1816 [0,2,0,0,0,0|1,0,1]=4 1912 B8R0.7 C=C(F)CNCCOC dae00dbc2d8543adc1568efb181171e9 [0,2,0,0,0,0|1,0,1]=4 1913 B8R0.7 C=C(F)CNCCON 354ee244b65b730598f9ca3f0ca2c095 [0,2,0,0,0,0|1,0,1]=4 1914 B8R0.7 C=CCCNCC(=O)O 76a631439fa66be5cf3013ae0e834c6c [0,2,0,0,0,0|1,0,1]=4 1915 B8R0.7 C=CCCNCC(C)C 1982685da06926e0cc923f857859a0da [0,2,0,0,0,0|2,0,0]=4 1916 B8R0.7 C=CCCNCC(C)O 4e6571e99dcee760d886b22b570b5c1d [0,2,0,0,0,0|1,0,0]=3 1917 B8R0.7 C=CCCNCC(F)F 2fe0f00eb635a3bb191031cd7d95e772 [0,2,0,0,0,0|2,0,0]=4 1918 B8R0.7 C=CCCNC[C@@H](C)O 3bfe2cc9bba1b6e9c950926ca5be5329 [0,2,0,0,0,0|1,0,0]=3 1919 B8R0.7 C=CCCNC[C@H](C)O a4471c07315e747de28477afc10e9fee [0,2,0,0,0,0|1,0,0]=3 1920 B8R0.7 C=CCNCCC(=O)O 4a5debfd45f8c7320860717744993f2a [0,2,0,0,0,0|1,0,1]=4 1921 B8R0.7 C=CCNCCC(C)O 1fed6d4363741bd7ad41e738315a760d [0,2,0,0,0,0|1,0,1]=4 1922 B8R0.7 C=CCNCCS(=O)O 9269ef3a997b531d0228a411ad4b56e1 [0,2,0,0,0,0|1,0,1]=4 1923 B8R0.7 C=CCNCC[C@@H](C)O eb18158b4edf95e8d76cbe758b4cff9f [0,2,0,0,0,0|1,0,1]=4 1924 B8R0.7 C=CCNCC[C@H](C)O 4473edaccfa79377adf605e73cbba0bd [0,2,0,0,0,0|1,0,1]=4 1925 B8R0.7 CC#CCNCC(C)O c753d14cd59903900334c20a9cf477a8 [0,2,0,0,0,0|1,0,1]=4 1926 B8R0.7 CC#CCNC[C@@H](C)O a2c919e7a256e9def9f260c4bebc6ef1 [0,2,0,0,0,0|1,0,1]=4 1927 B8R0.7 CC#CCNC[C@H](C)O 7b3b674161b5e3b015d7d33194233d57 [0,2,0,0,0,0|1,0,1]=4 1928 B8R0.7 CC(=CCNCCO)C 0feeda9211e49f7a10ebb18c907ce996 [0,2,0,0,0,0|1,0,1]=4 1929 B8R0.7 CC(=CCNCCO)Cl 2ee9ba9ff7c8b9d705daa10c68d79bd1 [0,2,0,0,0,0|1,0,1]=4 1930 B8R0.7 CC(=CCNCCO)I 9067fd97739f8e67fe2797cc7f12cf31 [0,2,0,0,0,0|1,0,1]=4 1931 B8R0.7 CC(=O)CCNCCBr 24723ec774300f363e1c4ef5edc15c1c [0,2,0,0,0,0|1,0,1]=4 1932 B8R0.7 CC(=O)CCNCCF 40798bc4989369da7dcdf726fe0e87a1 [0,2,0,0,0,0|1,0,1]=4 1933 B8R0.7 CC(=O)CCNCCI d7d5a1870b965338fecd7489cd9c07db [0,2,0,0,0,0|1,0,1]=4 1934 B8R0.7 CC(=O)CCNCCO a83400d724de744cf447c1456bef989f [0,2,0,0,0,0|0,0,1]=3 1935 B8R0.7 CC(=O)CCNCCS 47ae194edd083db7c9ba93ef9079950b [0,2,0,0,0,0|0,1,1]=4 1936 B8R0.7 CC(=O)CNCCCO 6b18feab134fa1608a1e961ad3762058 [0,2,0,0,0,0|0,0,2]=4 1937 B8R0.7 CC(=O)OCNCCO 02ed0f7075f3856f82fcf4a6039e490a [0,2,0,0,0,0|0,0,2]=4 1938 B8R0.7 CC(C)CCCNCO 9750317b56b896399a99f3a7f7a4e4a1 [0,2,0,0,0,0|2,0,0]=4 1939 B8R0.7 CC(C)CCNCCBr 63072d1bb0b37e13e4137a2658df5d3f [0,2,0,0,0,0|2,0,0]=4 1940 B8R0.7 CC(C)CCNCCF fa88e798a35cb724c574c6d9beb4e026 [0,2,0,0,0,0|2,0,0]=4 1941 B8R0.7 CC(C)CCNCCI 23da00c7d0e9607a32f436f0aa75fc42 [0,2,0,0,0,0|2,0,0]=4 1942 B8R0.7 CC(C)CCNCCO 8808dbc8c43d3215658a37aae8c42922 [0,2,0,0,0,0|1,0,0]=3 1943 B8R0.7 CC(C)CCNCCS f6fd9c0c9c1c8fd19eba108b534a9da0 [0,2,0,0,0,0|1,1,0]=4 1944 B8R0.7 CC(C)CNC/C=C\O 2a9e8c84ec357ff0db3f516b3676402a [0,2,0,0,0,0|1,0,1]=4 1945 B8R0.7 CC(C)CNCCC#N 6afc924d6727acdfd4cea38494c8555d [0,2,0,0,0,0|2,0,0]=4 1946 B8R0.7 CC(C)CNCCC=O c6d6e4834d14f931aabc475254ed07bc [0,2,0,0,0,0|1,0,1]=4 1947 B8R0.7 CC(C)CNCCCCl 83551d904dbd627980ba793c1942d0e5 [0,2,0,0,0,0|2,0,0]=4 1948 B8R0.7 CC(C)CNCCCF e685da6699f44994d973febb9b810867 [0,2,0,0,0,0|2,0,0]=4 1949 B8R0.7 CC(C)CNCCCO 1cd6cdd205d9b8765f3eafc45298521d [0,2,0,0,0,0|1,0,0]=3 1950 B8R0.7 CC(C)CNCCCS 240b44f5bc44a9ca7d752febf9653f98 [0,2,0,0,0,0|1,1,0]=4 1951 B8R0.7 CC(C)CNCCON 8e91a62e1bb43e3a5c1b835333643145 [0,2,0,0,0,0|1,0,0]=3 1952 B8R0.7 CC(C)NCCCCO cac322fa4c207db5bec318c0141a5615 [0,2,0,0,0,0|2,0,0]=4 1953 B8R0.7 CC(C)OCNCCBr c10f84326c8f1facef1beace5d5f8de1 [0,2,0,0,0,0|2,0,0]=4 1954 B8R0.7 CC(C)OCNCCF ccb017660ebad218ec4c5f4ccaed4b40 [0,2,0,0,0,0|2,0,0]=4 1955 B8R0.7 CC(C)OCNCCI 07166ab0566f313c801c90a86e9e95e5 [0,2,0,0,0,0|2,0,0]=4 1956 B8R0.7 CC(C)OCNCCO 7914ffab43828f446a5354dacb24e6a5 [0,2,0,0,0,0|1,0,0]=3 1957 B8R0.7 CC(C)OCNCCS e3ebe926aa59c07cebf3b43b2242d75f [0,2,0,0,0,0|1,1,0]=4 1958 B8R0.7 CC(O)CCNCC#N 8839b15c450319cdc3d23d65a5edf4ef [0,2,0,0,0,0|1,0,1]=4 1959 B8R0.7 CC(O)CCNCC=O 9cf0036a3003ba539050104e2775dce4 [0,2,0,0,0,0|0,0,2]=4 1960 B8R0.7 CC(O)CCNCCBr 5a93f7293e77ce97835ff01ebe452505 [0,2,0,0,0,0|1,0,0]=3 1961 B8R0.7 CC(O)CCNCCF ef84e9c91e955495b1b392657fd5821f [0,2,0,0,0,0|1,0,0]=3 1962 B8R0.7 CC(O)CCNCCI bfeeae8cdf0455d1c9cfd9eb984023c3 [0,2,0,0,0,0|1,0,0]=3 1963 B8R0.7 CC(O)CCNCCO 1a35051c97021be18870217e0a33c64e [0,2,0,0,0,0|0,0,0]=2 1964 B8R0.7 CC(O)CCNCCS 238e44838a362c90d19257797e15c958 [0,2,0,0,0,0|0,1,0]=3 1965 B8R0.7 CC(O)CNC/C=C/Cl 911805d4d35f739674d30a544d541cca [0,2,0,0,0,0|1,0,1]=4 1966 B8R0.7 CC(O)CNC/C=C\Cl adfc3a4f16ef51e132e8e698b947e7e0 [0,2,0,0,0,0|1,0,1]=4 1967 B8R0.7 CC(O)CNC/C=C\O 89dda98f784ad5fb1006822a0c7c6dbd [0,2,0,0,0,0|0,0,1]=3 1968 B8R0.7 CC(O)CNCCC#N 10f7926ab58dfa7eba7767fe01cc5073 [0,2,0,0,0,0|1,0,0]=3 1969 B8R0.7 CC(O)CNCCC=O a4922223293093343e687f0f88cdb1fd [0,2,0,0,0,0|0,0,1]=3 1970 B8R0.7 CC(O)CNCCCCl 333628270b035381d7a3131b7004001c [0,2,0,0,0,0|1,0,0]=3 1971 B8R0.7 CC(O)CNCCCF 753f028cfacbeb87aa0832e03394d242 [0,2,0,0,0,0|1,0,0]=3 1972 B8R0.7 CC(O)CNCCCO fe4cf1fbd21f9c78c984e34870d2398d [0,2,0,0,0,0|0,0,0]=2 1973 B8R0.7 CC(O)CNCCCS 7a3702a079c3bcade1b24a337aa57ea3 [0,2,0,0,0,0|0,1,0]=3 1974 B8R0.7 CC(O)CNCCON b1f97ecb062790a9ea413ad85e71fa34 [0,2,0,0,0,0|0,0,0]=2 1975 B8R0.7 CC(O)CNCSC#N f6252be2264e0465a66168012c94236a [0,2,0,0,0,0|1,0,1]=4 1976 B8R0.7 CC=CCNCC(C)O 3355a6f27ac95da3103ef606509bbc54 [0,2,0,0,0,0|1,0,1]=4 1977 B8R0.7 CC=CCNC[C@@H](C)O bb14a2a5b0f2f934973f50d6088143bf [0,2,0,0,0,0|1,0,1]=4 1978 B8R0.7 CC=CCNC[C@H](C)O a80e401a4fa769c8d578a7424ece8141 [0,2,0,0,0,0|1,0,1]=4 1979 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [0,2,0,0,0,0|1,0,1]=4 1980 B8R0.7 CCCCNCC(C)C 14e08612915cf77b2fa2c2f94f61132b [0,2,0,0,0,0|2,0,0]=4 1981 B8R0.7 CCCCNCC(C)O 931ffaa97d207c9fb7ebac0ec881f8e7 [0,2,0,0,0,0|1,0,0]=3 1982 B8R0.7 CCCCNCC(F)F 59c1dd31b1633b5881723b5df4d70221 [0,2,0,0,0,0|2,0,0]=4 1983 B8R0.7 CCCCNC[C@@H](C)O 4edb0f48a9a733f4509d2f3b0321ae53 [0,2,0,0,0,0|1,0,0]=3 1984 B8R0.7 CCCCNC[C@H](C)O 57de7703f075876997013fb957b70c80 [0,2,0,0,0,0|1,0,0]=3 1985 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [0,2,0,0,0,0|1,0,1]=4 1986 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [0,2,0,0,0,0|1,0,1]=4 1987 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [0,2,0,0,0,0|1,0,0]=3 1988 B8R0.7 CCCNCCC(=S)N 9bd19729128b21bf5f6ba43475b023e4 [0,2,0,0,0,0|1,1,0]=4 1989 B8R0.7 CCCNCCC(C)C 76a9f83b0ca62c4bc3c8277b05f628fa [0,2,0,0,0,0|2,0,0]=4 1990 B8R0.7 CCCNCCC(C)O ccdd4aef6b342b7b92e15346bf177ff3 [0,2,0,0,0,0|1,0,0]=3 1991 B8R0.7 CCCNCCC(F)F 06bc8dd7195781c8fa8e64160537904c [0,2,0,0,0,0|2,0,0]=4 1992 B8R0.7 CCCNCCN(C)C 1fd7d9835f7eceefef0e4025a05690fb [0,2,0,0,0,0|2,0,0]=4 1993 B8R0.7 CCCNCCS(=O)C 8907fe98197a1b6e79d094b2d7a6d4a5 [0,2,0,0,0,0|1,0,1]=4 1994 B8R0.7 CCCNCCS(=O)O 9ce87a12381c4b5cfe3ec1783a75d72a [0,2,0,0,0,0|1,0,0]=3 1995 B8R0.7 CCCNCC[C@@H](C)O 96ed78371080616609e6a19f4bc6ef50 [0,2,0,0,0,0|1,0,0]=3 1996 B8R0.7 CCCNCC[C@H](C)O e223e4268330f6aea945d3b98613cfef [0,2,0,0,0,0|1,0,0]=3 1997 B8R0.7 CCCNCOC(C)C f9d15999e9514468c33a2297857aa4db [0,2,0,0,0,0|2,0,0]=4 1998 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [0,2,0,0,0,0|2,0,0]=4 1999 B8R0.7 CCOCNCC(=O)O 0cadae74986469dc80946ca8e9bb1b07 [0,2,0,0,0,0|1,0,1]=4 2000 B8R0.7 CCOCNCC(C)C 7a67391819739ef08ed61cadd8c0e82e [0,2,0,0,0,0|2,0,0]=4 2001 B8R0.7 CCOCNCC(C)O 24ccfaa7e75872cf26d496230fd15b21 [0,2,0,0,0,0|1,0,0]=3 2002 B8R0.7 CCOCNCC(F)F 6864c3bf38f9f9b6ff8435063ccb009d [0,2,0,0,0,0|2,0,0]=4 2003 B8R0.7 CCOCNC[C@@H](C)O 75d9d187f353289c2c2a7694580ab35a [0,2,0,0,0,0|1,0,0]=3 2004 B8R0.7 CCOCNC[C@H](C)O 09d1233b9ac8e82ae19ef34daace6a79 [0,2,0,0,0,0|1,0,0]=3 2005 B8R0.7 CN(C)CCNCCBr e1a9b9d2021e24944c250dcb33425c3d [0,2,0,0,0,0|2,0,0]=4 2006 B8R0.7 CN(C)CCNCCF 53d242c2c8c27a60d998a2e9442d9c16 [0,2,0,0,0,0|2,0,0]=4 2007 B8R0.7 CN(C)CCNCCI cd40e95d3d8878bc7b1fc404d53d668a [0,2,0,0,0,0|2,0,0]=4 2008 B8R0.7 CN(C)CCNCCO 623d782539049a31626f7dc9eeb58e94 [0,2,0,0,0,0|1,0,0]=3 2009 B8R0.7 CN(C)CCNCCS 0719f9e4969ae8c005c228aa7ae9d6e8 [0,2,0,0,0,0|1,1,0]=4 2010 B8R0.7 CN(C)CNCCCO b9383588f6977f4de542d2f93d3da9b2 [0,2,0,0,0,0|2,0,0]=4 2011 B8R0.7 CN(C)CNCCON 579ab5550bbbadfab0382c3ba1366604 [0,2,0,0,0,0|2,0,0]=4 2012 B8R0.7 COCCNCC(=O)C 961ddbf961717199cb7ccbe5fdba9647 [0,2,0,0,0,0|0,0,2]=4 2013 B8R0.7 COCCNCC(=O)N 137fcc310030132af81430a136880512 [0,2,0,0,0,0|0,0,2]=4 2014 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [0,2,0,0,0,0|0,0,1]=3 2015 B8R0.7 COCCNCC(C)C 0f93e00b6918ab89e337016dce5ddb5a [0,2,0,0,0,0|1,0,0]=3 2016 B8R0.7 COCCNCC(C)O a6f4728eeff32ec4fcbf8e57ed616698 [0,2,0,0,0,0|0,0,0]=2 2017 B8R0.7 COCCNCC(F)F 25469da334f8c271bf22d9774256f939 [0,2,0,0,0,0|1,0,0]=3 2018 B8R0.7 COCCNCN(C)C d22b8820b5c2650f403e7a2e25fc8aed [0,2,0,0,0,0|2,0,0]=4 2019 B8R0.7 COCCNC[C@@H](C)O 4beb59a86c8864c163dcbb580623ab5e [0,2,0,0,0,0|0,0,0]=2 2020 B8R0.7 COCCNC[C@H](C)O a9c8878bb2cf027926f7305b99434175 [0,2,0,0,0,0|0,0,0]=2 2021 B8R0.7 COCCNC[N+](=O)[O-] 6c9c36a0e0856616a148c80934d0b31f [0,2,0,0,0,0|1,0,1]=4 2022 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [0,2,0,0,0,0|1,0,1]=4 2023 B8R0.7 COCCOCC(C)C d0e5035e5ad75d7667af2fe282c6f0ba [0,2,0,0,0,0|2,0,0]=4 2024 B8R0.7 COCCOCC(C)F 1ea288114b620c4cc60edddefbfb1519 [0,2,0,0,0,0|2,0,0]=4 2025 B8R0.7 COCCOCC(C)S 47bc24d67a548bf8c3c221f967c74e10 [0,2,0,0,0,0|1,1,0]=4 2026 B8R0.7 COCCOCC(F)F bfb3aef41338718e9933cdd37f72b0d7 [0,2,0,0,0,0|2,0,0]=4 2027 B8R0.7 COCCOCS(=O)O 9425fd968f35d546d46a8c1e3b670b55 [0,2,0,0,0,0|2,0,0]=4 2028 B8R0.7 COCCOC[C@@H](C)F 618ae4185ff142f7f47a17f052759c0d [0,2,0,0,0,0|2,0,0]=4 2029 B8R0.7 COCCOC[C@H](C)F a7127a4f8e91a396cf79f96f9636bc86 [0,2,0,0,0,0|2,0,0]=4 2030 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [0,2,0,0,0,0|2,0,0]=4 2031 B8R0.7 COCNCCC(C)O 639e1300d4061a93e5a3a9497a727f46 [0,2,0,0,0,0|2,0,0]=4 2032 B8R0.7 COCNCCS(=O)O 9b0f09c32fdad7545dd3373c6db4845f [0,2,0,0,0,0|2,0,0]=4 2033 B8R0.7 COCNCC[C@@H](C)O 123c5ef1cba87a9588fce251e247bddb [0,2,0,0,0,0|2,0,0]=4 2034 B8R0.7 COCNCC[C@H](C)O 5ef169a9cdf49589607767e5c3010b08 [0,2,0,0,0,0|2,0,0]=4 2035 B8R0.7 CS(=O)CCNCCBr 65a2b15dd6aa44ab4cdd342d230b704b [0,2,0,0,0,0|1,0,1]=4 2036 B8R0.7 CS(=O)CCNCCF cbee396aafd868112d9d9f046e829220 [0,2,0,0,0,0|1,0,1]=4 2037 B8R0.7 CS(=O)CCNCCI 629ce25a6db322c2ba9dda0f6a58fe44 [0,2,0,0,0,0|1,0,1]=4 2038 B8R0.7 CS(=O)CCNCCO 93f7733e139b010e12660cb8139e909a [0,2,0,0,0,0|0,0,1]=3 2039 B8R0.7 CS(=O)CCNCCS 49818c7057088eae67f281721402a222 [0,2,0,0,0,0|0,1,1]=4 2040 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [0,2,0,0,0,0|0,1,1]=4 2041 B8R0.7 CSCCNCC(C)C 16d1e3af66ad99f6b4393c7a907a603c [0,2,0,0,0,0|1,1,0]=4 2042 B8R0.7 CSCCNCC(C)O 684b1705ba2238f55a9db5f4eaf48d67 [0,2,0,0,0,0|0,1,0]=3 2043 B8R0.7 CSCCNCC(F)F bcac50194a0f7b56b8f27f36d0f3ce16 [0,2,0,0,0,0|1,1,0]=4 2044 B8R0.7 CSCCNC[C@@H](C)O bc0fd1dc506166a7fd0edef563d937ce [0,2,0,0,0,0|0,1,0]=3 2045 B8R0.7 CSCCNC[C@H](C)O db068fc33901ed1895a5d7d51bc4242d [0,2,0,0,0,0|0,1,0]=3 2046 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [0,2,0,0,0,0|2,0,0]=4 2047 B8R0.7 CSCNCCC(C)O 8079af77e795db5c9b76b0339e48e07c [0,2,0,0,0,0|2,0,0]=4 2048 B8R0.7 CSCNCCS(=O)O 14787ffddc12e16cb93df9154674fbee [0,2,0,0,0,0|2,0,0]=4 2049 B8R0.7 CSCNCC[C@@H](C)O 40afe2c009067bdceded9420a01d83c2 [0,2,0,0,0,0|2,0,0]=4 2050 B8R0.7 CSCNCC[C@H](C)O f099555ead223e55238d1cd9c176fd2a [0,2,0,0,0,0|2,0,0]=4 2051 B8R0.7 C[C@@H](O)CCNCC#N 07f11473eb282800c579759c12b8e195 [0,2,0,0,0,0|1,0,1]=4 2052 B8R0.7 C[C@@H](O)CCNCC=O a9020fd357d1f95ddbb3ee9465870652 [0,2,0,0,0,0|0,0,2]=4 2053 B8R0.7 C[C@@H](O)CCNCCF 00fb3246a5e0f0a40073adf4dd0f9c5c [0,2,0,0,0,0|1,0,0]=3 2054 B8R0.7 C[C@@H](O)CCNCCO f9220c0511756d4131431901bdca8f86 [0,2,0,0,0,0|0,0,0]=2 2055 B8R0.7 C[C@@H](O)CCNCCS 59e3ce95e9f830a111eb231010deea45 [0,2,0,0,0,0|0,1,0]=3 2056 B8R0.7 C[C@@H](O)CNC/C=C/Cl 9642a0465d2d4ee5355fb60bdc06194c [0,2,0,0,0,0|1,0,1]=4 2057 B8R0.7 C[C@@H](O)CNC/C=C\Cl 9631c3627e420c3b8d4d9af21f5bca26 [0,2,0,0,0,0|1,0,1]=4 2058 B8R0.7 C[C@@H](O)CNC/C=C\O b0e2de9bd6ee1dce177c518601acde7b [0,2,0,0,0,0|0,0,1]=3 2059 B8R0.7 C[C@@H](O)CNCCC#N 76d157afd1ee48e36135e012257d2afd [0,2,0,0,0,0|1,0,0]=3 2060 B8R0.7 C[C@@H](O)CNCCC=O 7d91813785f65cc63c3d9cbb3ff309cf [0,2,0,0,0,0|0,0,1]=3 2061 B8R0.7 C[C@@H](O)CNCCCCl 5a9543c00533d909465726506f8ef18f [0,2,0,0,0,0|1,0,0]=3 2062 B8R0.7 C[C@@H](O)CNCCCF 643e67d7d3a28d1a865b989008a91394 [0,2,0,0,0,0|1,0,0]=3 2063 B8R0.7 C[C@@H](O)CNCCCO e8d0c49be9e4f764b9eb8137611b6561 [0,2,0,0,0,0|0,0,0]=2 2064 B8R0.7 C[C@@H](O)CNCCCS b776364a0a5c11e40b8ce2ccd6634a83 [0,2,0,0,0,0|0,1,0]=3 2065 B8R0.7 C[C@@H](O)CNCCON cf5735b15a5d6d2ceccc8de528ff0d1e [0,2,0,0,0,0|0,0,0]=2 2066 B8R0.7 C[C@@H](O)CNCSC#N 593b4da14aa2593ff12b51b6bb21f2f5 [0,2,0,0,0,0|1,0,1]=4 2067 B8R0.7 C[C@H](O)CCNCC#N 444927f01db5dfbb8e82899248cdd74a [0,2,0,0,0,0|1,0,1]=4 2068 B8R0.7 C[C@H](O)CCNCC=O bedbd11e9379692d602aa1c619cc418f [0,2,0,0,0,0|0,0,2]=4 2069 B8R0.7 C[C@H](O)CCNCCF aa34994106d76d285bfde4726af6850e [0,2,0,0,0,0|1,0,0]=3 2070 B8R0.7 C[C@H](O)CCNCCO b2ddda35e31f7463fd2502c2af77ff58 [0,2,0,0,0,0|0,0,0]=2 2071 B8R0.7 C[C@H](O)CCNCCS 086cc0a61842d6afaf2d8eb1da7a5b2d [0,2,0,0,0,0|0,1,0]=3 2072 B8R0.7 C[C@H](O)CNC/C=C/Cl 52902402254d45c5f23ca520b8182523 [0,2,0,0,0,0|1,0,1]=4 2073 B8R0.7 C[C@H](O)CNC/C=C\Cl bbdd902d1f0a528ae8686493e2b4143e [0,2,0,0,0,0|1,0,1]=4 2074 B8R0.7 C[C@H](O)CNC/C=C\O 4b946d67a82b1c232fb5785efe4fcee0 [0,2,0,0,0,0|0,0,1]=3 2075 B8R0.7 C[C@H](O)CNCCC#N f9295a02cf77f70c51159fea1fcb5e9e [0,2,0,0,0,0|1,0,0]=3 2076 B8R0.7 C[C@H](O)CNCCC=O 450069e6f027c46eb6d29b2b31e57c5c [0,2,0,0,0,0|0,0,1]=3 2077 B8R0.7 C[C@H](O)CNCCCCl f7dfc1410f499a1afe59ca2b5ed2048f [0,2,0,0,0,0|1,0,0]=3 2078 B8R0.7 C[C@H](O)CNCCCF 8bc48768a95eefd9754dfea6d5065444 [0,2,0,0,0,0|1,0,0]=3 2079 B8R0.7 C[C@H](O)CNCCCO 0f92a48ea3b315178512a9aaa009df0a [0,2,0,0,0,0|0,0,0]=2 2080 B8R0.7 C[C@H](O)CNCCCS e48e13187eb89118c3ba8c6bedda190f [0,2,0,0,0,0|0,1,0]=3 2081 B8R0.7 C[C@H](O)CNCCON 0c3e84561343164f8035aff04b6f605b [0,2,0,0,0,0|0,0,0]=2 2082 B8R0.7 C[C@H](O)CNCSC#N 409e481da31d395249db002f28c4aaf0 [0,2,0,0,0,0|1,0,1]=4 2083 B8R0.7 FC(F)CCNCCS 7334d39061c9bc0333b0e38b8d60e202 [0,2,0,0,0,0|1,1,0]=4 2084 B8R0.7 FC(F)CNCCCCl db9ff590163c8365e06f1119fb9fbca2 [0,2,0,0,0,0|2,0,0]=4 2085 B8R0.7 FC(F)CNCCCS cf693e16f93a3986c727ac22ba051132 [0,2,0,0,0,0|1,1,0]=4 2086 B8R0.7 FCCCNCC(F)F 7f1656ddbecb2cdd8e316f2e7d08d573 [0,2,0,0,0,0|2,0,0]=4 2087 B8R0.7 FCCNCCC(F)F bdc07ff38ba5172a12400f4f13cef405 [0,2,0,0,0,0|2,0,0]=4 2088 B8R0.7 N#CCCNCC(=O)O 7bfcf1dd2660ba45e086fc214d0fdf1b [0,2,0,0,0,0|1,0,1]=4 2089 B8R0.7 N#CCCNCC(F)F c36f89a7c20e1b7b01fe666c81e10508 [0,2,0,0,0,0|2,0,0]=4 2090 B8R0.7 N#CCNCCC(=O)O 26556793ee589201382d4a045c687d03 [0,2,0,0,0,0|1,0,1]=4 2091 B8R0.7 N#CCNCCS(=O)O a967ed9288a61b676a18650e41024e64 [0,2,0,0,0,0|1,0,1]=4 2092 B8R0.7 NC(=O)CCNCCBr ef24ce00bd552b4c7b9798b47e83c534 [0,2,0,0,0,0|1,0,1]=4 2093 B8R0.7 NC(=O)CCNCCF 6b59759188d6118acfcc7c61e6ea8d88 [0,2,0,0,0,0|1,0,1]=4 2094 B8R0.7 NC(=O)CCNCCI 3bfe0d669e39520f94e74660ecea4a46 [0,2,0,0,0,0|1,0,1]=4 2095 B8R0.7 NC(=O)CCNCCO ea9a91e023644befadbf5d244e261bb0 [0,2,0,0,0,0|0,0,1]=3 2096 B8R0.7 NC(=O)CCNCCS c12ed7aa66bfc39da304ecb7c8d6cdd6 [0,2,0,0,0,0|0,1,1]=4 2097 B8R0.7 NC(=O)CNCCCO f7f428c6be3a0f96cc03fd2549aaf101 [0,2,0,0,0,0|0,0,2]=4 2098 B8R0.7 NC(=O)SCNCCO 1bbc095343c94ca3982d1ab4934c107c [0,2,0,0,0,0|0,0,2]=4 2099 B8R0.7 NC(=S)CCNCCF 8efdf72e038c82a60bfa204c2dd1d661 [0,2,0,0,0,0|1,1,0]=4 2100 B8R0.7 NC(=S)CCNCCO 0bf63ce335ba1738d3e60f4bb45b5800 [0,2,0,0,0,0|0,1,0]=3 2101 B8R0.7 NC(=S)CCNCCS 278efba1496249e8c54fdcb82562e599 [0,2,0,0,0,0|0,2,0]=4 2102 B8R0.7 NOCCNCC(=O)N 992a9e03e4089afbd7c51b6a0a2fa2b4 [0,2,0,0,0,0|0,0,2]=4 2103 B8R0.7 NOCCNCC(=O)O 567becea339978b1d5a450bf35e41e83 [0,2,0,0,0,0|0,0,1]=3 2104 B8R0.7 NOCCNCC(F)F c08a98017b02205d30690ce1ebda6d1c [0,2,0,0,0,0|1,0,0]=3 2105 B8R0.7 NOCCNC[N+](=O)[O-] 03f95cb178416a43c05f6e68aaae00de [0,2,0,0,0,0|1,0,1]=4 2106 B8R0.7 O/C=C\CNCC(F)F 262a952587c44623ef94dfdaf794ba76 [0,2,0,0,0,0|1,0,1]=4 2107 B8R0.7 O=C(O)CCCNCO 6267c5eeb1933064d917e4e814ad9722 [0,2,0,0,0,0|1,0,1]=4 2108 B8R0.7 O=C(O)CCNCCBr 29cc353153febf3a8c067ebc7d4659a9 [0,2,0,0,0,0|1,0,0]=3 2109 B8R0.7 O=C(O)CCNCCF cb03b3b8d9be6ed00316ec8fa58ea22d [0,2,0,0,0,0|1,0,0]=3 2110 B8R0.7 O=C(O)CCNCCI 1fb0bb507aa993f2a3522c41edc93100 [0,2,0,0,0,0|1,0,0]=3 2111 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [0,2,0,0,0,0|0,0,0]=2 2112 B8R0.7 O=C(O)CCNCCS e7b12ac116347e188c56484ce05a8410 [0,2,0,0,0,0|0,1,0]=3 2113 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [0,2,0,0,0,0|2,0,0]=4 2114 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [0,2,0,0,0,0|1,1,0]=4 2115 B8R0.7 O=C(O)CNC/C=C\O fcaf4aee7217c0e4fd5dd5a9fcf238f8 [0,2,0,0,0,0|0,0,2]=4 2116 B8R0.7 O=C(O)CNCCCCl 6975978044558bce000c0ca780485b76 [0,2,0,0,0,0|1,0,1]=4 2117 B8R0.7 O=C(O)CNCCCF 69db0caef1002e94499cf44277421fb3 [0,2,0,0,0,0|1,0,1]=4 2118 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [0,2,0,0,0,0|0,0,1]=3 2119 B8R0.7 O=C(O)CNCCCS 69374183d65b27382aaeea8dfc3bb03c [0,2,0,0,0,0|0,1,1]=4 2120 B8R0.7 O=CCCNCC(=O)O bf4ced9bc1bbfa03663a8c8af093471d [0,2,0,0,0,0|0,0,2]=4 2121 B8R0.7 O=CCCNCC(F)F 00aa3292125883dcbd5abfb2aba15616 [0,2,0,0,0,0|1,0,1]=4 2122 B8R0.7 O=CCNCCC(=O)O 2746d5d7d8507565af45509ba7bc6f1c [0,2,0,0,0,0|0,0,2]=4 2123 B8R0.7 O=CCNCCS(=O)O 104aeeba492ec25284f66848d37f717a [0,2,0,0,0,0|0,0,2]=4 2124 B8R0.7 O=S(O)CCNCCF 6ae83f604fb3678c54ffa14683ab0e36 [0,2,0,0,0,0|1,0,0]=3 2125 B8R0.7 O=S(O)CCNCCO 7974b1bc97ad54f4d29705e06d65fa2c [0,2,0,0,0,0|0,0,0]=2 2126 B8R0.7 O=S(O)CCNCCS 55afdc590ce640566907268f0a80beef [0,2,0,0,0,0|0,1,0]=3 2127 B8R0.7 O=[N+]([O-])CNCCCO 699823c2bacae1528b933bc0154f67ed [0,2,0,0,0,0|1,0,1]=4 2128 B8R0.7 OCCCNCC(F)F f30d0f1fb00ca8a3ad6293d94c8c9e69 [0,2,0,0,0,0|1,0,0]=3 2129 B8R0.7 OCCNCC=C(Cl)Cl 906e64dfb0f41947c809d8fed38c721f [0,2,0,0,0,0|1,0,1]=4 2130 B8R0.7 OCCNCCC(F)F 2e9e569a16779ff0e140f1a1670838df [0,2,0,0,0,0|1,0,0]=3 2131 B8R0.3 C#CC(C)N(C)CCO b43f28c4f4a64319e1b1e41aaa9f6b08 [0,2,0,0,0,0|1,0,1]=4 2132 B8R0.3 C#CCN(C)C(C)CO 831dfbf69f31cac8c12a16ec233b0eb7 [0,2,0,0,0,0|1,0,1]=4 2133 B8R0.3 C#CCN(C)[C@@H](C)CO cf4937c96d578f935d86348a972d7119 [0,2,0,0,0,0|1,0,1]=4 2134 B8R0.3 C#CCN(C)[C@H](C)CO 8fc66eb2fa3c6d6824064c16ddce3a03 [0,2,0,0,0,0|1,0,1]=4 2135 B8R0.3 C=CC(C)N(C)CCO 31b5ed7aa5a205519e8ef808de3cf2e1 [0,2,0,0,0,0|1,0,1]=4 2136 B8R0.3 C=CCN(C)C(C)CO 8c715e862453448fc3e3b9ba82e04fb0 [0,2,0,0,0,0|1,0,1]=4 2137 B8R0.3 C=CCN(C)[C@@H](C)CO d79fe830e812ab0c31e5c84552fe2303 [0,2,0,0,0,0|1,0,1]=4 2138 B8R0.3 C=CCN(C)[C@H](C)CO 53cb334437435e8137dbb2e1f03423ab [0,2,0,0,0,0|1,0,1]=4 2139 B8R0.3 CC(C=O)N(C)CCO 7d4a0fe41ac03f29b1a8a1f199619c05 [0,2,0,0,0,0|0,0,2]=4 2140 B8R0.3 CC(CCO)N(C)CO dfc2a34852129d44194b0c77031219a0 [0,2,0,0,0,0|2,0,0]=4 2141 B8R0.3 CC(CO)N(C)CC#N f3835d35ebc258d13f9bb2451152c4c4 [0,2,0,0,0,0|1,0,1]=4 2142 B8R0.3 CC(CO)N(C)CC=O 0f8d2e48b5ce1eda5ef71ae8a2fbea8d [0,2,0,0,0,0|0,0,2]=4 2143 B8R0.3 CC(CO)N(C)CCF 2f42d2145118d088f5c34c9fa76e855c [0,2,0,0,0,0|1,0,0]=3 2144 B8R0.3 CC(CO)N(C)CCO 0d720b41f9c26087e9ba690031a17d7f [0,2,0,0,0,0|0,0,0]=2 2145 B8R0.3 CC(CO)N(C)CCS ea8d2ec093ea4db2b234a45c3c938a86 [0,2,0,0,0,0|0,1,0]=3 2146 B8R0.3 CCC(=O)N(C)CCO e0dd9f4a6beab4473ee465efb09f2b8e [0,2,0,0,0,0|1,0,1]=4 2147 B8R0.3 CCC(C)N(C)CCF b62eca3949be87e9f455c6c5d2a1d368 [0,2,0,0,0,0|2,0,0]=4 2148 B8R0.3 CCC(C)N(C)CCO ce9dc1d5d90d70d93850fd69ffcd5f10 [0,2,0,0,0,0|1,0,0]=3 2149 B8R0.3 CCC(C)N(C)CCS 4bdb870fddc268a2f497a46b052eb447 [0,2,0,0,0,0|1,1,0]=4 2150 B8R0.3 CCCN(C)C(=O)CO daa5d896fade5a1be51c39257fa3d5b8 [0,2,0,0,0,0|1,0,1]=4 2151 B8R0.3 CCCN(C)C(C)CC e90ec3dd5d6af029f20e2d820addd400 [0,2,0,0,0,0|2,0,0]=4 2152 B8R0.3 CCCN(C)C(C)CO 8beda8059033dea1a0c2a56f23876ffd [0,2,0,0,0,0|1,0,0]=3 2153 B8R0.3 CCCN(C)[C@@H](C)CO ea309c3d5effa1e0573b19703dee4a64 [0,2,0,0,0,0|1,0,0]=3 2154 B8R0.3 CCCN(C)[C@H](C)CO db553edf061f0eb78c1b59d7ccaebc82 [0,2,0,0,0,0|1,0,0]=3 2155 B8R0.3 CN(CCF)C(=O)CO ddf97572daeb555520ada3a08ed124af [0,2,0,0,0,0|1,0,1]=4 2156 B8R0.3 CN(CCO)C(=O)CF 8eee296041fdc56c535d63fb7b27b7a2 [0,2,0,0,0,0|1,0,1]=4 2157 B8R0.3 CN(CCO)C(=O)CO 8de638bdca0f8ac1cf08b4f0e65806cd [0,2,0,0,0,0|0,0,1]=3 2158 B8R0.3 CN(CCO)C(=O)CS 797e71b888991b0f90a9d8c6273c3ef5 [0,2,0,0,0,0|0,1,1]=4 2159 B8R0.3 C[C@@H](CCO)N(C)CO eaa5b713431519b13dcab703d6cf2eed [0,2,0,0,0,0|2,0,0]=4 2160 B8R0.3 C[C@@H](CO)N(C)CC#N 27e24838a969c34ac7f69659971b24b0 [0,2,0,0,0,0|1,0,1]=4 2161 B8R0.3 C[C@@H](CO)N(C)CC=O 7ec30cd81e597e1bd2a1af4676ffad1f [0,2,0,0,0,0|0,0,2]=4 2162 B8R0.3 C[C@@H](CO)N(C)CCF d0b50a4bef6f13f7f71e2135e591757e [0,2,0,0,0,0|1,0,0]=3 2163 B8R0.3 C[C@@H](CO)N(C)CCO 729f863a62ac580365e6214fb52d9363 [0,2,0,0,0,0|0,0,0]=2 2164 B8R0.3 C[C@@H](CO)N(C)CCS 0c2c9795c224099295c549595950946b [0,2,0,0,0,0|0,1,0]=3 2165 B8R0.3 C[C@H](C=O)N(C)CCO 49a6d7d68908c07ccafe8fbc747e5a32 [0,2,0,0,0,0|0,0,2]=4 2166 B8R0.3 C[C@H](CO)N(C)CC#N aab4dcd9a9ab8c15d05fefdc206dc7de [0,2,0,0,0,0|1,0,1]=4 2167 B8R0.3 C[C@H](CO)N(C)CC=O 549d4707c245d0d43b050d1c44958445 [0,2,0,0,0,0|0,0,2]=4 2168 B8R0.3 C[C@H](CO)N(C)CCF d93739fd0ee357fe37675726a99e0541 [0,2,0,0,0,0|1,0,0]=3 2169 B8R0.3 C[C@H](CO)N(C)CCO 00675577d891833e5fc324a18acc436a [0,2,0,0,0,0|0,0,0]=2 2170 B8R0.3 C[C@H](CO)N(C)CCS 7d8624a5efff16dd22a46cc757f3632e [0,2,0,0,0,0|0,1,0]=3 2171 B8R0.8 C#CCNC(C)C(C)O 098b4eda44bd9b616a767c57eabad44e [0,2,0,0,0,0|1,0,1]=4 2172 B8R0.8 C=CCNC(C)C(C)O a63cc819faffcf4d8f0ecbce096fd10a [0,2,0,0,0,0|1,0,1]=4 2173 B8R0.8 CC(=O)C(C)NCCO 2aeb3f0703a454ddc9d76e39bdb7fb76 [0,2,0,0,0,0|0,0,2]=4 2174 B8R0.8 CC(C)C(C)NCCBr eb08a6f23b04d7963282ada64fd60fc9 [0,2,0,0,0,0|2,0,0]=4 2175 B8R0.8 CC(C)C(C)NCCF 0c619b966fcb93f87e84f637101a239a [0,2,0,0,0,0|2,0,0]=4 2176 B8R0.8 CC(C)C(C)NCCI ec22e706582c512896d748c8ff0eb9fd [0,2,0,0,0,0|2,0,0]=4 2177 B8R0.8 CC(C)C(C)NCCO 1619d105daf7c51230c4b6257a710c36 [0,2,0,0,0,0|1,0,0]=3 2178 B8R0.8 CC(C)C(C)NCCS 4357d99eb054f24fdc6923cbebed884d [0,2,0,0,0,0|1,1,0]=4 2179 B8R0.8 CC(C)[C@@H](C)NCCF ad763ed47489e5d06433dfca079785aa [0,2,0,0,0,0|2,0,0]=4 2180 B8R0.8 CC(C)[C@@H](C)NCCO 93e06873f6ef60f625c37b13a6ebb5e9 [0,2,0,0,0,0|1,0,0]=3 2181 B8R0.8 CC(C)[C@@H](C)NCCS 4283fb7c2456a2749935f5d5a24d75b7 [0,2,0,0,0,0|1,1,0]=4 2182 B8R0.8 CC(C)[C@H](C)NCCF 63a7bfceec1a072dd33a9b71a5a0759b [0,2,0,0,0,0|2,0,0]=4 2183 B8R0.8 CC(C)[C@H](C)NCCO 4837ecbe37600d9a357778ac43fef7f9 [0,2,0,0,0,0|1,0,0]=3 2184 B8R0.8 CC(C)[C@H](C)NCCS 79a56a1f468737d2a742a14baed7afd7 [0,2,0,0,0,0|1,1,0]=4 2185 B8R0.8 CC(F)C(=O)NCCO 5714b08de3ce4f90a90b82e533206732 [0,2,0,0,0,0|1,0,1]=4 2186 B8R0.8 CC(NCCF)C(=O)O 826059aa4ee48cb4b37668249087cac6 [0,2,0,0,0,0|1,0,1]=4 2187 B8R0.8 CC(NCCI)C(=O)O dee732c464e42a2d1492bb4c77f9d546 [0,2,0,0,0,0|1,0,1]=4 2188 B8R0.8 CC(NCCO)C(=O)N 013333cfcf1fc8f500c98b282dda89b3 [0,2,0,0,0,0|0,0,2]=4 2189 B8R0.8 CC(NCCO)C(=O)O d02ed597872d2f4c546187db89f2f220 [0,2,0,0,0,0|0,0,1]=3 2190 B8R0.8 CC(NCCS)C(=O)O c86172ae088a1a89a361e8a05cbb9a1a [0,2,0,0,0,0|0,1,1]=4 2191 B8R0.8 CC(O)C(=O)NCCF 91832489eb3405f9b8e768fbbfba918a [0,2,0,0,0,0|1,0,1]=4 2192 B8R0.8 CC(O)C(=O)NCCI 5facf5561b562fe9df389faa15b577b9 [0,2,0,0,0,0|1,0,1]=4 2193 B8R0.8 CC(O)C(=O)NCCO 6eae43744294511500b3285e9523f49e [0,2,0,0,0,0|0,0,1]=3 2194 B8R0.8 CC(O)C(=O)NCCS e3260ab4fe247ca165e429cfa29782cf [0,2,0,0,0,0|0,1,1]=4 2195 B8R0.8 CC(O)C(C)NCC#N e72e1e111cbdac92d8b7838f44f3a4e8 [0,2,0,0,0,0|1,0,1]=4 2196 B8R0.8 CC(O)C(C)NCC=O e305fe128f0a78b8ad0315156373b87a [0,2,0,0,0,0|0,0,2]=4 2197 B8R0.8 CC(O)C(C)NCCF 9cfe548625b157e19c5439799990e702 [0,2,0,0,0,0|1,0,0]=3 2198 B8R0.8 CC(O)C(C)NCCO 469f70f9bc699e5eb472875791d52d81 [0,2,0,0,0,0|0,0,0]=2 2199 B8R0.8 CC(O)C(C)NCCS e8cacdd9ca1fd87fea75773d8f3ca780 [0,2,0,0,0,0|0,1,0]=3 2200 B8R0.8 CC(S)C(=O)NCCO 3004d33b884c289d9839660aa24797db [0,2,0,0,0,0|0,1,1]=4 2201 B8R0.8 CCCNC(=O)C(C)O 1c4275cc840c120b08a43a51d620d9a2 [0,2,0,0,0,0|1,0,1]=4 2202 B8R0.8 CCCNC(=O)C(O)O 1935daac569a1d73c1bfec746173b734 [0,2,0,0,0,0|1,0,1]=4 2203 B8R0.8 CCCNC(=O)[C@@H](C)O dd45fdcbcb7fa52143ea0a380ce96207 [0,2,0,0,0,0|1,0,1]=4 2204 B8R0.8 CCCNC(=O)[C@H](C)O b394796d74a22374522cf1e72768ff60 [0,2,0,0,0,0|1,0,1]=4 2205 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [0,2,0,0,0,0|1,0,1]=4 2206 B8R0.8 CCCNC(C)C(C)C 83fa3f7bca0f40e346b81c4ebe9a6195 [0,2,0,0,0,0|2,0,0]=4 2207 B8R0.8 CCCNC(C)C(C)O d6d39af3e50c17151ef5fe5638b0cdf5 [0,2,0,0,0,0|1,0,0]=3 2208 B8R0.8 CCCNC(O)C(=O)O cc97d4d167b9765bc7e9641f2f876d2e [0,2,0,0,0,0|1,0,1]=4 2209 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [0,2,0,0,0,0|1,0,1]=4 2210 B8R0.8 CCCN[C@@H](C)C(C)C 5a80b176866eb6d633457f0bc9e03270 [0,2,0,0,0,0|2,0,0]=4 2211 B8R0.8 CCCN[C@@H](C)C(F)F 789979c5f5dfa95359bedca093c22b00 [0,2,0,0,0,0|2,0,0]=4 2212 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [0,2,0,0,0,0|1,0,1]=4 2213 B8R0.8 CCCN[C@H](C)C(C)C 51af879c22cb35c22f0cd191096adc82 [0,2,0,0,0,0|2,0,0]=4 2214 B8R0.8 CCCN[C@H](C)C(F)F 2fad1b8a41c4a9fe84aee9262a077e94 [0,2,0,0,0,0|2,0,0]=4 2215 B8R0.8 COCNC(C)C(C)O d7e5822464b4c17df026f3154a34adc6 [0,2,0,0,0,0|2,0,0]=4 2216 B8R0.8 CSCNC(C)C(C)O ef3911d562ab7b6e3e64e8a81fc52be6 [0,2,0,0,0,0|2,0,0]=4 2217 B8R0.8 C[C@@H](F)C(=O)NCCO d7174fc5c801463ae00a56232eff941a [0,2,0,0,0,0|1,0,1]=4 2218 B8R0.8 C[C@@H](NCCF)C(=O)O c985c930a75dd7ef32b597383fbe6b60 [0,2,0,0,0,0|1,0,1]=4 2219 B8R0.8 C[C@@H](NCCF)C(F)F ef430a24b0feed3844eb272b9185280b [0,2,0,0,0,0|2,0,0]=4 2220 B8R0.8 C[C@@H](NCCI)C(=O)O 8a10c2dc2b0ccfee702f35e3cbddbf0d [0,2,0,0,0,0|1,0,1]=4 2221 B8R0.8 C[C@@H](NCCO)C(=O)N 11b4a7b8afa7b38c3221de9b75563071 [0,2,0,0,0,0|0,0,2]=4 2222 B8R0.8 C[C@@H](NCCO)C(=O)O 773cefab23e4277c3fec27f25db9fd3e [0,2,0,0,0,0|0,0,1]=3 2223 B8R0.8 C[C@@H](NCCO)C(F)F b6d1d7580c8e8dec8e79621e9d60e3bd [0,2,0,0,0,0|1,0,0]=3 2224 B8R0.8 C[C@@H](NCCS)C(=O)O 19d484937376b7d19ec4ad31c032ffd8 [0,2,0,0,0,0|0,1,1]=4 2225 B8R0.8 C[C@@H](NCCS)C(F)F 3512dc33b8e2b924a30bb1c76d86a190 [0,2,0,0,0,0|1,1,0]=4 2226 B8R0.8 C[C@@H](O)C(=O)NCCF a16414928601b2d6fce8684097146547 [0,2,0,0,0,0|1,0,1]=4 2227 B8R0.8 C[C@@H](O)C(=O)NCCI 12bd14996ece1fc55d11b04df696dca9 [0,2,0,0,0,0|1,0,1]=4 2228 B8R0.8 C[C@@H](O)C(=O)NCCO 35de042b0d140c54bda91feb1cdb127d [0,2,0,0,0,0|0,0,1]=3 2229 B8R0.8 C[C@@H](O)C(=O)NCCS 4ea55b84babe82864696fb723221b8ee [0,2,0,0,0,0|0,1,1]=4 2230 B8R0.8 C[C@H](F)C(=O)NCCO 3757477e5dbeaeb7bd7368631f26cff2 [0,2,0,0,0,0|1,0,1]=4 2231 B8R0.8 C[C@H](NCCF)C(=O)O fd1f98b23619529732be37e8295a849a [0,2,0,0,0,0|1,0,1]=4 2232 B8R0.8 C[C@H](NCCF)C(F)F 34e60d7272dd0f95592e51fdfed0497a [0,2,0,0,0,0|2,0,0]=4 2233 B8R0.8 C[C@H](NCCI)C(=O)O 14879b70406900d3b9c0aef15c8804ba [0,2,0,0,0,0|1,0,1]=4 2234 B8R0.8 C[C@H](NCCO)C(=O)N ead3141575cb05538a172d8fe0fd315f [0,2,0,0,0,0|0,0,2]=4 2235 B8R0.8 C[C@H](NCCO)C(=O)O 76808623850f5a1065c978caf5c977ca [0,2,0,0,0,0|0,0,1]=3 2236 B8R0.8 C[C@H](NCCO)C(F)F ff940830f44b98008bb96871506e5514 [0,2,0,0,0,0|1,0,0]=3 2237 B8R0.8 C[C@H](NCCS)C(=O)O f9c7d821f3499388f2c0c427911263cd [0,2,0,0,0,0|0,1,1]=4 2238 B8R0.8 C[C@H](NCCS)C(F)F 398bf02942de5d9e3c7f1479d25a00d1 [0,2,0,0,0,0|1,1,0]=4 2239 B8R0.8 C[C@H](O)C(=O)NCCF 9cb153874861efa121a2a3efd64f7b30 [0,2,0,0,0,0|1,0,1]=4 2240 B8R0.8 C[C@H](O)C(=O)NCCI fb8bee75ecdef23926c8dd96e5a8446c [0,2,0,0,0,0|1,0,1]=4 2241 B8R0.8 C[C@H](O)C(=O)NCCO a8a620bab8ff63cc8d6c82762d26d446 [0,2,0,0,0,0|0,0,1]=3 2242 B8R0.8 C[C@H](O)C(=O)NCCS 473cfe5bd499406c2c4ec28ce5acf099 [0,2,0,0,0,0|0,1,1]=4 2243 B8R0.8 NC(=O)C(F)NCCO 8ea465c04b3d341359f3e0754df88307 [0,2,0,0,0,0|0,0,2]=4 2244 B8R0.8 O=C(NCCBr)C(O)O 73e8ae7fdf2a88b7b30084be9bc85132 [0,2,0,0,0,0|1,0,1]=4 2245 B8R0.8 O=C(NCCF)C(O)O 89e071c32fd10ed34517a44e130ca45c [0,2,0,0,0,0|1,0,1]=4 2246 B8R0.8 O=C(NCCI)C(O)O fc84fbc71836adb80db7b674e8b28a10 [0,2,0,0,0,0|1,0,1]=4 2247 B8R0.8 O=C(NCCO)C(F)F 92d20ef55af2732384d70ce223367ad5 [0,2,0,0,0,0|1,0,1]=4 2248 B8R0.8 O=C(NCCO)C(O)O 98affbb0c0ffe6bee8332b346954c773 [0,2,0,0,0,0|0,0,1]=3 2249 B8R0.8 O=C(NCCS)C(O)O 4438ec682b3eb2e23847b4b4cbb5ce72 [0,2,0,0,0,0|0,1,1]=4 2250 B8R0.8 O=C(O)C(O)NCCF f448ef4ffbf11843dbee1bb8436d2a0c [0,2,0,0,0,0|1,0,1]=4 2251 B8R0.8 O=C(O)C(O)NCCO 698911e1d3457f5b9e37a340d950957a [0,2,0,0,0,0|0,0,1]=3 2252 B8R0.8 O=C(O)C(O)NCCS 5346421c4abaa0529702e1282d1c5a95 [0,2,0,0,0,0|0,1,1]=4 2253 B8R0.9 C#CC(C)NCC(C)O 1164b04976265b761067c99ad2da16bf [0,2,0,0,0,0|1,0,1]=4 2254 B8R0.9 C#CC(C)NC[C@@H](C)O 7ad13de4a7a03e41f4cbacd4a906fba4 [0,2,0,0,0,0|1,0,1]=4 2255 B8R0.9 C#CC(C)NC[C@H](C)O 53d3508876ff1be379f3884ef893351a [0,2,0,0,0,0|1,0,1]=4 2256 B8R0.9 C#C[C@@H](C)NCC(C)O 6e3a0cc43dbd7b9b66908e4cc04f14fe [0,2,0,0,0,0|1,0,1]=4 2257 B8R0.9 C#C[C@@H](C)NC[C@@H](C)O cc01dc5a90a8de441b6278d6eee0a58c [0,2,0,0,0,0|1,0,1]=4 2258 B8R0.9 C#C[C@@H](C)NC[C@H](C)O 49465638c2e15a9ac3ebb06ae45a9839 [0,2,0,0,0,0|1,0,1]=4 2259 B8R0.9 C#C[C@H](C)NCC(C)O a30f6e9c7aac14e219aaee215b2aea70 [0,2,0,0,0,0|1,0,1]=4 2260 B8R0.9 C#C[C@H](C)NC[C@@H](C)O 8e3dc67245de6f75ec5dc121c948738c [0,2,0,0,0,0|1,0,1]=4 2261 B8R0.9 C#C[C@H](C)NC[C@H](C)O 85d18f7bbb262c5044f5ec16db653ee2 [0,2,0,0,0,0|1,0,1]=4 2262 B8R0.9 C=C(Br)CNC(C)CO a9395843621306550785050d7c834975 [0,2,0,0,0,0|1,0,1]=4 2263 B8R0.9 C=C(Br)CN[C@@H](C)CO a9a538986d98a9e55f3f998c54cc247b [0,2,0,0,0,0|1,0,1]=4 2264 B8R0.9 C=C(Br)CN[C@H](C)CO 7d1e722c71de1993138febf0f8977869 [0,2,0,0,0,0|1,0,1]=4 2265 B8R0.9 C=C(C)CNC(C)CO 5159a8bb82cabf2648e9cdde51d9f87d [0,2,0,0,0,0|1,0,1]=4 2266 B8R0.9 C=C(C)CN[C@@H](C)CO f4d1778cd45c27cf148f0822304507c8 [0,2,0,0,0,0|1,0,1]=4 2267 B8R0.9 C=C(C)CN[C@H](C)CO f1c10bccf9821522bb3892f2794d0864 [0,2,0,0,0,0|1,0,1]=4 2268 B8R0.9 C=C(Cl)CNC(C)CO 2dc80d01902a7d5e8dafab7a9437a51b [0,2,0,0,0,0|1,0,1]=4 2269 B8R0.9 C=C(Cl)CN[C@@H](C)CO f36a795b66d6bf78b67e64f966438328 [0,2,0,0,0,0|1,0,1]=4 2270 B8R0.9 C=C(Cl)CN[C@H](C)CO f8ab1a19cf270f4d27a5391240b16b7f [0,2,0,0,0,0|1,0,1]=4 2271 B8R0.9 C=C(F)CNC(C)CO 526836e1f2860b0f9f9375a2daf92e9c [0,2,0,0,0,0|1,0,1]=4 2272 B8R0.9 C=C(F)CN[C@@H](C)CO 6fc2183cd10b292910560f06e58fef39 [0,2,0,0,0,0|1,0,1]=4 2273 B8R0.9 C=C(F)CN[C@H](C)CO 6f97a60c010f3bc80a761604a71ba20d [0,2,0,0,0,0|1,0,1]=4 2274 B8R0.9 C=CC(C)NCC(C)O 5144cb9722b00c930d39b008230dd71b [0,2,0,0,0,0|1,0,1]=4 2275 B8R0.9 C=CC(C)NC[C@@H](C)O 6cab4c064f4e4a3576f4614dc457cfe2 [0,2,0,0,0,0|1,0,1]=4 2276 B8R0.9 C=CC(C)NC[C@H](C)O aa1119f23f12ec0262686c78c2712eec [0,2,0,0,0,0|1,0,1]=4 2277 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,2,0,0,0,0|0,0,2]=4 2278 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,2,0,0,0,0|0,0,2]=4 2279 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,2,0,0,0,0|0,0,2]=4 2280 B8R0.9 CC(C#N)NC[C@@H](C)O 15671a9aaa5fd9d6e9502c44968f15b6 [0,2,0,0,0,0|1,0,1]=4 2281 B8R0.9 CC(C#N)NC[C@H](C)O 65520f4be3178c76f83f0362e6b284ce [0,2,0,0,0,0|1,0,1]=4 2282 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,2,0,0,0,0|1,0,1]=4 2283 B8R0.9 CC(C)CNC(C)CO aeb39a69125a8116b2d666aabffee368 [0,2,0,0,0,0|1,0,0]=3 2284 B8R0.9 CC(C)CN[C@@H](C)CO a48e86d82c35fbf8dc46c7829eb1eaf7 [0,2,0,0,0,0|1,0,0]=3 2285 B8R0.9 CC(C)CN[C@H](C)CO de58f1f480131f7b21c40f2c3fccea42 [0,2,0,0,0,0|1,0,0]=3 2286 B8R0.9 CC(C=O)NC[C@@H](C)O d6dc2629bd4430c3bd67a8f081c11379 [0,2,0,0,0,0|0,0,2]=4 2287 B8R0.9 CC(C=O)NC[C@H](C)O 7869ad4f3cbe7e38dea9b0d6c90c6141 [0,2,0,0,0,0|0,0,2]=4 2288 B8R0.9 CC(CO)NCC(=O)N ca275a4ad15d32e500ba974468999137 [0,2,0,0,0,0|0,0,2]=4 2289 B8R0.9 CC(CO)NCC(=O)O 3fa1442f69c9dfa3ad5830b54dce922d [0,2,0,0,0,0|0,0,1]=3 2290 B8R0.9 CC(CO)NCC(F)F afe50cd5d3e7bb39c7801092e7c33da5 [0,2,0,0,0,0|1,0,0]=3 2291 B8R0.9 CC(CO)NCN(C)C 9f334c9a32600ad6ec37d22a14ae3c93 [0,2,0,0,0,0|2,0,0]=4 2292 B8R0.9 CC(CO)NC[C@@H](C)O b3b457ca8971b770f5960d70ecaa3b4d [0,2,0,0,0,0|0,0,0]=2 2293 B8R0.9 CC(CO)NC[C@H](C)O 4b77979cdca58e53e46d0a0730b80eb6 [0,2,0,0,0,0|0,0,0]=2 2294 B8R0.9 CC(CO)NC[N+](=O)[O-] c8cef2932297a128bb58d0293856a208 [0,2,0,0,0,0|1,0,1]=4 2295 B8R0.9 CC(O)CCN(C)CO 7a6421ea4c5ed918115902892e0fc97b [0,2,0,0,0,0|2,0,0]=4 2296 B8R0.9 CC(O)CNC(=O)CF d59c5e79c77aa7d822e3ecb11dcaef82 [0,2,0,0,0,0|1,0,1]=4 2297 B8R0.9 CC(O)CNC(=O)CO 9be864f31d0f9194e8eb36240c465097 [0,2,0,0,0,0|0,0,1]=3 2298 B8R0.9 CC(O)CNC(=O)CS dbff926c910e39aef95fc4a90e7f24a8 [0,2,0,0,0,0|0,1,1]=4 2299 B8R0.9 CC(O)CNC(C)C#N 2da40130ef769df9bf4d25f24df298c6 [0,2,0,0,0,0|1,0,1]=4 2300 B8R0.9 CC(O)CNC(C)C=O 383ad87f47185da30b4a1f76d3fc6516 [0,2,0,0,0,0|0,0,2]=4 2301 B8R0.9 CC(O)CNC(C)CO a1b9fd4e4c8e5407d8f4c38ea7432000 [0,2,0,0,0,0|0,0,0]=2 2302 B8R0.9 CC(O)CNC(F)C#N 49372298c7501f298b410de20c58e2e2 [0,2,0,0,0,0|1,0,1]=4 2303 B8R0.9 CC(O)CN[C@@H](C)CO fa8ddd2915181b209ca8cd0f4cac931d [0,2,0,0,0,0|0,0,0]=2 2304 B8R0.9 CC(O)CN[C@H](C)C=O 8a0a71f4d2dc211ad7713289d588e2ee [0,2,0,0,0,0|0,0,2]=4 2305 B8R0.9 CC(O)CN[C@H](C)CO 0a4874882b4a2730c218e76ea399d233 [0,2,0,0,0,0|0,0,0]=2 2306 B8R0.9 CCC(=O)NCC(C)O a0cefa62fd20423cdc1bf66278a42129 [0,2,0,0,0,0|1,0,1]=4 2307 B8R0.9 CCC(=O)NC[C@@H](C)O a391cc3778995f10350211a29d249a09 [0,2,0,0,0,0|1,0,1]=4 2308 B8R0.9 CCC(=O)NC[C@H](C)O 700448fc71267e87914b635955ddeec8 [0,2,0,0,0,0|1,0,1]=4 2309 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,2,0,0,0,0|1,0,1]=4 2310 B8R0.9 CCC(C)NCC(C)C 0af4d6f3dad4a1fd6ba7feec2c98edc9 [0,2,0,0,0,0|2,0,0]=4 2311 B8R0.9 CCC(C)NCC(C)O 04be39588a5f09c70c74f1ca60cd63ac [0,2,0,0,0,0|1,0,0]=3 2312 B8R0.9 CCC(C)NCC(F)F ac878db22ce4d6d74bf195ccbdb3ebf3 [0,2,0,0,0,0|2,0,0]=4 2313 B8R0.9 CCC(C)NC[C@@H](C)O 6e798d5c3d31a8f8773bcdb1d14bb58f [0,2,0,0,0,0|1,0,0]=3 2314 B8R0.9 CCC(C)NC[C@H](C)O b6ed82170374565ef8a62802ade9580c [0,2,0,0,0,0|1,0,0]=3 2315 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,2,0,0,0,0|1,0,1]=4 2316 B8R0.9 CC[C@@H](C)NCC(C)C a85721f9bf2f20f81d144de1a37e6fff [0,2,0,0,0,0|2,0,0]=4 2317 B8R0.9 CC[C@@H](C)NCC(C)O 2677141b66bad4e2c96cd57b714806ea [0,2,0,0,0,0|1,0,0]=3 2318 B8R0.9 CC[C@@H](C)NCC(F)F bee16bbbdf6b5b63b78aca07dde20c02 [0,2,0,0,0,0|2,0,0]=4 2319 B8R0.9 CC[C@@H](C)NC[C@@H](C)O 259bc8325537e1de1a944df75fdf21f1 [0,2,0,0,0,0|1,0,0]=3 2320 B8R0.9 CC[C@@H](C)NC[C@H](C)O 939311d357bc0680fabba2ce4e70d859 [0,2,0,0,0,0|1,0,0]=3 2321 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,2,0,0,0,0|1,0,1]=4 2322 B8R0.9 CC[C@H](C)NCC(C)C 3e34629dbba78b6d192ded3bac89ba6f [0,2,0,0,0,0|2,0,0]=4 2323 B8R0.9 CC[C@H](C)NCC(C)O 99099c99fd14ec2545d713f92de4a778 [0,2,0,0,0,0|1,0,0]=3 2324 B8R0.9 CC[C@H](C)NCC(F)F f678cd1e2b3efe8b59a18e52fc23c78f [0,2,0,0,0,0|2,0,0]=4 2325 B8R0.9 CC[C@H](C)NC[C@@H](C)O 12a96eae09dd452a73c94b544346a630 [0,2,0,0,0,0|1,0,0]=3 2326 B8R0.9 CC[C@H](C)NC[C@H](C)O 4c33e4d27654f70efbcc25d8010eeae9 [0,2,0,0,0,0|1,0,0]=3 2327 B8R0.9 C[C@@H](CO)NCC(=O)N 1720c78da7cf8f54c6473f0f0ad3915f [0,2,0,0,0,0|0,0,2]=4 2328 B8R0.9 C[C@@H](CO)NCC(=O)O a4ded20e76f16f8cb0ed35de8a1798b1 [0,2,0,0,0,0|0,0,1]=3 2329 B8R0.9 C[C@@H](CO)NCC(F)F aa9326d2678fdd7e3190feab9210c920 [0,2,0,0,0,0|1,0,0]=3 2330 B8R0.9 C[C@@H](CO)NCN(C)C 760502b538f2077bccfcc9e3d0290502 [0,2,0,0,0,0|2,0,0]=4 2331 B8R0.9 C[C@@H](CO)NC[N+](=O)[O-] 3480edc0ee7db13a1161878bc1afe8a5 [0,2,0,0,0,0|1,0,1]=4 2332 B8R0.9 C[C@@H](O)CNC(=O)CF 6a61f49e9c0d24ab6d4f46deb1461e7d [0,2,0,0,0,0|1,0,1]=4 2333 B8R0.9 C[C@@H](O)CNC(=O)CO 9634e7d0b81aeff4d0ebcb0b1d05ff89 [0,2,0,0,0,0|0,0,1]=3 2334 B8R0.9 C[C@@H](O)CNC(=O)CS 74f2114c184fa00cea5ec42867e295a6 [0,2,0,0,0,0|0,1,1]=4 2335 B8R0.9 C[C@@H](O)CNC(F)C#N e6ca033a4fc522e7c2efd5b4314ff1cc [0,2,0,0,0,0|1,0,1]=4 2336 B8R0.9 C[C@@H](O)CN[C@@H](C)CO 3ae1deb582924f94cf5f62861ba15598 [0,2,0,0,0,0|0,0,0]=2 2337 B8R0.9 C[C@H](C=O)NC[C@@H](C)O e7c9c037399ac257f04fd04c210bf172 [0,2,0,0,0,0|0,0,2]=4 2338 B8R0.9 C[C@H](CO)NCC(=O)N 280db7eb09d450dda3894db03e34aff2 [0,2,0,0,0,0|0,0,2]=4 2339 B8R0.9 C[C@H](CO)NCC(=O)O 3604c50bbfd16fc53504ebc03416b43b [0,2,0,0,0,0|0,0,1]=3 2340 B8R0.9 C[C@H](CO)NCC(F)F 3f8abf7b4358240f2862231b05f17dc7 [0,2,0,0,0,0|1,0,0]=3 2341 B8R0.9 C[C@H](CO)NCN(C)C ac64443f3863360bbcaabbdf1fd1065c [0,2,0,0,0,0|2,0,0]=4 2342 B8R0.9 C[C@H](CO)NC[C@@H](C)O 0c791e5e7d94d2a38d5f859dad7628f0 [0,2,0,0,0,0|0,0,0]=2 2343 B8R0.9 C[C@H](CO)NC[N+](=O)[O-] 765df81bbf0a0b13e5d5d509e2eb070f [0,2,0,0,0,0|1,0,1]=4 2344 B8R0.9 C[C@H](O)CNC(=O)CF de054442a5e1e940c151636e21f7cde2 [0,2,0,0,0,0|1,0,1]=4 2345 B8R0.9 C[C@H](O)CNC(=O)CO a9cb6b1498a706bccaa6d180a5a461c7 [0,2,0,0,0,0|0,0,1]=3 2346 B8R0.9 C[C@H](O)CNC(=O)CS a2cc47a92507f6d2ddfbe5205109d70d [0,2,0,0,0,0|0,1,1]=4 2347 B8R0.9 C[C@H](O)CNC(F)C#N 78998edca7fb2f2423d0e7ca822a8beb [0,2,0,0,0,0|1,0,1]=4 2348 B8R0.9 C[C@H](O)CN[C@@H](C)CO ccedc2ee6039e5ae689a515db1821b9d [0,2,0,0,0,0|0,0,0]=2 2349 B8R0.9 C[C@H](O)CN[C@H](C)C=O 53b9e59588b92175a902e97408217ade [0,2,0,0,0,0|0,0,2]=4 2350 B8R0.9 C[C@H](O)CN[C@H](C)CO 16e70066eda8e6ba0018098e6ed94053 [0,2,0,0,0,0|0,0,0]=2 2351 B8R0.9 O=C(CO)NCC(F)F 7faddb9a1bd570be447e69247bbc7e41 [0,2,0,0,0,0|1,0,1]=4 2352 B8R0.11 C#CCNC(CC)CO fb36296304cb400c5f2a26a970cdc4d6 [0,2,0,0,0,0|1,0,1]=4 2353 B8R0.11 C#CCNC(CO)CO a9eefc74e1e618e420e5fdeb4421f62a [0,2,0,0,0,0|1,0,1]=4 2354 B8R0.11 C#CCN[C@@H](C=C)CO 456cb9a971b2be86a1ea9d518f263c7c [0,2,0,0,0,0|1,0,1]=4 2355 B8R0.11 C#CCN[C@@H](CC)CO 6659156596e9d47ae0e910c4dfcff1af [0,2,0,0,0,0|1,0,1]=4 2356 B8R0.11 C#CCN[C@H](CC)CO 39901f109221cb61601cb3062ca4690f [0,2,0,0,0,0|1,0,1]=4 2357 B8R0.11 C=CCNC(CC)CO b799cd82e5074fd5b37afaf8b4b4c65c [0,2,0,0,0,0|1,0,1]=4 2358 B8R0.11 C=CCNC(CO)CO d55ee1a77f8927ecd95394b4d16aaf41 [0,2,0,0,0,0|1,0,1]=4 2359 B8R0.11 C=CCN[C@@H](C=C)CO ea4e290d64c2b0479b5ef64f282e8fb5 [0,2,0,0,0,0|1,0,1]=4 2360 B8R0.11 C=CCN[C@@H](CC)CO 6fb5b02744e8b8591abf79841e3e48e4 [0,2,0,0,0,0|1,0,1]=4 2361 B8R0.11 C=CCN[C@H](CC)CO 490621c31d43cdcee71b80e0f765530f [0,2,0,0,0,0|1,0,1]=4 2362 B8R0.11 C=C[C@@H](CO)NCC#N a38c16aa1431c2d5f60ef319a05c3c78 [0,2,0,0,0,0|1,0,1]=4 2363 B8R0.11 C=C[C@@H](CO)NCC=O 96c62156ed48d64dc2a89031f5b19033 [0,2,0,0,0,0|0,0,2]=4 2364 B8R0.11 C=C[C@@H](CO)NCCC dbf80c876fbb8dcf06535205d9e2b255 [0,2,0,0,0,0|1,0,0]=3 2365 B8R0.11 C=C[C@@H](CO)NCCF 7360bfe71c6608a9714d8065c084a0de [0,2,0,0,0,0|1,0,0]=3 2366 B8R0.11 C=C[C@@H](CO)NCCO 70da69a0d043cb17907bdb5cbae75f95 [0,2,0,0,0,0|0,0,0]=2 2367 B8R0.11 C=C[C@@H](CO)NCCS f674ac0aa0e41fadcc5d0177ae3ce30f [0,2,0,0,0,0|0,1,0]=3 2368 B8R0.11 C=C[C@@H](CO)NCOC 0153530615bf1a82e20beea532a20ae7 [0,2,0,0,0,0|2,0,0]=4 2369 B8R0.11 C=C[C@@H](CO)NCSC de61dd601a1d75bc767e90a7378569d3 [0,2,0,0,0,0|2,0,0]=4 2370 B8R0.11 CCC(C=O)NCCBr b2bce0ce1b9ab602a40f18f0015518c7 [0,2,0,0,0,0|2,0,0]=4 2371 B8R0.11 CCC(C=O)NCCF 38437253c46eaa94c039d42d662294ca [0,2,0,0,0,0|2,0,0]=4 2372 B8R0.11 CCC(C=O)NCCI b275adc10c65353a9f2e2d29c810ac5c [0,2,0,0,0,0|2,0,0]=4 2373 B8R0.11 CCC(C=O)NCCO 0ef6baa986478af3845ad64b43273775 [0,2,0,0,0,0|1,0,0]=3 2374 B8R0.11 CCC(C=O)NCCS 659251275749d198cbef7b75a8f4d945 [0,2,0,0,0,0|1,1,0]=4 2375 B8R0.11 CCC(CC)NCCBr f1760bb09a956c63f5f20b2a26cc6e50 [0,2,0,0,0,0|2,0,0]=4 2376 B8R0.11 CCC(CC)NCCF 16a2169220283b8aaec7bc512a7ce463 [0,2,0,0,0,0|2,0,0]=4 2377 B8R0.11 CCC(CC)NCCI cf2c62b0bba5e9a3d0e04c6167943464 [0,2,0,0,0,0|2,0,0]=4 2378 B8R0.11 CCC(CC)NCCO d58b1c58f28bba46367e63f966f1872f [0,2,0,0,0,0|1,0,0]=3 2379 B8R0.11 CCC(CC)NCCS 68a82bbaa9886621fbf6c3e184690048 [0,2,0,0,0,0|1,1,0]=4 2380 B8R0.11 CCC(CO)CNCO f4ead70b83a1d6129f159796f4ac9db5 [0,2,0,0,0,0|2,0,0]=4 2381 B8R0.11 CCC(CO)NCC#N 707f70f43a424014776616e53612953e [0,2,0,0,0,0|1,0,1]=4 2382 B8R0.11 CCC(CO)NCC=O 36b8c180c423d05a287bbf37daf06e14 [0,2,0,0,0,0|0,0,2]=4 2383 B8R0.11 CCC(CO)NCCBr 295cd2c2275fef1ccee786a11ffa6a17 [0,2,0,0,0,0|1,0,0]=3 2384 B8R0.11 CCC(CO)NCCF 06a60ad7f45f2d775fb6a8aef5139853 [0,2,0,0,0,0|1,0,0]=3 2385 B8R0.11 CCC(CO)NCCI a9b924d5beaf549bdeb2c18b81dba216 [0,2,0,0,0,0|1,0,0]=3 2386 B8R0.11 CCC(CO)NCCO ed32f9961dc32ce448cdbe7b92adb26a [0,2,0,0,0,0|0,0,0]=2 2387 B8R0.11 CCC(CO)NCCS ebbb533f966606106277fccc05e35889 [0,2,0,0,0,0|0,1,0]=3 2388 B8R0.11 CCC(CO)NCOC 078c186580d45ea274fa3409f76c15af [0,2,0,0,0,0|2,0,0]=4 2389 B8R0.11 CCC(CO)NCSC b861a5a5b392c8da7211f9f9dd9d339c [0,2,0,0,0,0|2,0,0]=4 2390 B8R0.11 CCCNC(C=O)CC 8b5e0e2daf5f0f35115de8e725402fa5 [0,2,0,0,0,0|2,0,0]=4 2391 B8R0.11 CCCNC(CC)CC 9be5d4abc1b4d0703a44bd9539e556bb [0,2,0,0,0,0|2,0,0]=4 2392 B8R0.11 CCCNC(CC)CO 18fc997e699e711c2231a1e18c184815 [0,2,0,0,0,0|1,0,0]=3 2393 B8R0.11 CCCNC(CO)CO 00a487eecd6e21acf35e21d6fc5bcc45 [0,2,0,0,0,0|1,0,0]=3 2394 B8R0.11 CCCN[C@@H](CC)CO f14436f2737b9dbc3051d6d9b364b94f [0,2,0,0,0,0|1,0,0]=3 2395 B8R0.11 CCCN[C@H](CC)CO 81a649534946bc6ce248c71efca3ef7e [0,2,0,0,0,0|1,0,0]=3 2396 B8R0.11 CCCOC(CO)CO 3fab4738851b0062dfd9d64d8b9970f3 [0,2,0,0,0,0|2,0,0]=4 2397 B8R0.11 CCN(CO)CCCO d64066af2c2ce0c75da14a6fbb0a40e0 [0,2,0,0,0,0|2,0,0]=4 2398 B8R0.11 CC[C@@H](CO)NCC#N 5ff9c041fc9df02fbdbc7f7f12c203a8 [0,2,0,0,0,0|1,0,1]=4 2399 B8R0.11 CC[C@@H](CO)NCC=O 10f83f8629097d9496f09b4be9046d3f [0,2,0,0,0,0|0,0,2]=4 2400 B8R0.11 CC[C@@H](CO)NCCF 413ed65a26512af3c1170a3920063034 [0,2,0,0,0,0|1,0,0]=3 2401 B8R0.11 CC[C@@H](CO)NCCO 7b93a39872b6551b532bd6e8bbd5ec65 [0,2,0,0,0,0|0,0,0]=2 2402 B8R0.11 CC[C@@H](CO)NCCS a5e621bc7941df7910775f676a8a67b6 [0,2,0,0,0,0|0,1,0]=3 2403 B8R0.11 CC[C@@H](CO)NCOC 075733316857782eaefc2e837dcaf4c5 [0,2,0,0,0,0|2,0,0]=4 2404 B8R0.11 CC[C@@H](CO)NCSC b0087d0db4955c611258d5b10128f64d [0,2,0,0,0,0|2,0,0]=4 2405 B8R0.11 CC[C@H](CO)NCC#N a62f0b7f77e76336d8a21130753b9e9b [0,2,0,0,0,0|1,0,1]=4 2406 B8R0.11 CC[C@H](CO)NCC=O e160cd29fcd44c5f7399de9cf9ca258f [0,2,0,0,0,0|0,0,2]=4 2407 B8R0.11 CC[C@H](CO)NCCF d5862ddcf3ad5b0262d8b61eac762f6b [0,2,0,0,0,0|1,0,0]=3 2408 B8R0.11 CC[C@H](CO)NCCO e3d68c99acf76f3a4f2f6310cbcd4548 [0,2,0,0,0,0|0,0,0]=2 2409 B8R0.11 CC[C@H](CO)NCCS 8ea96ce855f1db5545ea4149f09fbfdc [0,2,0,0,0,0|0,1,0]=3 2410 B8R0.11 CC[C@H](CO)NCOC e9adf39b09e53830acc8bb086083b6e5 [0,2,0,0,0,0|2,0,0]=4 2411 B8R0.11 CC[C@H](CO)NCSC 5a01ade357a562b1b9ae7501c2058894 [0,2,0,0,0,0|2,0,0]=4 2412 B8R0.11 COCNC(CO)CO 87487448b1adadad875f1e626032842d [0,2,0,0,0,0|2,0,0]=4 2413 B8R0.11 CO[C@@H](CO)CNCO d79d307765ac209b795ed9fd93cd025d [0,2,0,0,0,0|2,0,0]=4 2414 B8R0.11 CSCNC(CO)CO 57cb58e3ffa4a002e0e62812eb771820 [0,2,0,0,0,0|2,0,0]=4 2415 B8R0.11 N#CC(C=O)NCCO 4e0881a730d260afe453fb8f8172ee87 [0,2,0,0,0,0|0,0,2]=4 2416 B8R0.11 N#CCNC(CO)CO fb52774594365e8ffc98fae234053988 [0,2,0,0,0,0|1,0,1]=4 2417 B8R0.11 O=CC(C=O)NCCO 477dea407fed4693f13efe109c98c7e5 [0,2,0,0,0,0|0,0,2]=4 2418 B8R0.11 O=CCNC(CO)CO 366e76df9a117064ff74d57082453e8a [0,2,0,0,0,0|0,0,2]=4 2419 B8R0.11 OCC(CO)NCCBr 31877f7dcc60c2abd9fc8d196731e8f2 [0,2,0,0,0,0|1,0,0]=3 2420 B8R0.11 OCC(CO)NCCF 68cefca032c8b0feb43192a71267a09b [0,2,0,0,0,0|1,0,0]=3 2421 B8R0.11 OCC(CO)NCCI e27945ad42f9518d8b16a4ea01e7f78f [0,2,0,0,0,0|1,0,0]=3 2422 B8R0.11 OCC(CO)NCCS dc7a078e1f4a8b2b41f62adaaad98632 [0,2,0,0,0,0|0,1,0]=3 2423 B8R0.11 OCC(CO)OCCS 32e1a855f0af18e7b566ea70c81c98bf [0,2,0,0,0,0|1,1,0]=4 2424 B8R0.11 OCCNC(CO)CO 2a93ec5f68e9f4b5b98daf3f4b43b9ab [0,2,0,0,0,0|0,0,0]=2 2425 B8R0.11 OCNCC(CO)CO ac1ef2d579960bcf880ecea63813daf8 [0,2,0,0,0,0|2,0,0]=4 2426 B8R0.19 C#CC(C)NC(C)CO db3c3520d43d8cb580a73a91b29abd02 [0,2,0,0,0,0|1,0,1]=4 2427 B8R0.19 C#CC(C)N[C@@H](C)CO ed1a9aae1e9026b99b97732b22b1c567 [0,2,0,0,0,0|1,0,1]=4 2428 B8R0.19 C#CC(C)N[C@H](C)CO 9577f4122e6549e2c638a403ec90f871 [0,2,0,0,0,0|1,0,1]=4 2429 B8R0.19 C#C[C@@H](C)NC(C)CO 41713db6341a8215808d8a9de044b065 [0,2,0,0,0,0|1,0,1]=4 2430 B8R0.19 C#C[C@@H](C)N[C@@H](C)CO 5dbbae8a36ae96d26ddeee7784a5cd68 [0,2,0,0,0,0|1,0,1]=4 2431 B8R0.19 C#C[C@@H](C)N[C@H](C)CO 84792f3a1af7012da0567233976c9dbb [0,2,0,0,0,0|1,0,1]=4 2432 B8R0.19 C#C[C@H](C)NC(C)CO dac54b1be8668e2be5cb8e7c05091095 [0,2,0,0,0,0|1,0,1]=4 2433 B8R0.19 C#C[C@H](C)N[C@@H](C)CO 2db6be72059aaa11d7783ba520546328 [0,2,0,0,0,0|1,0,1]=4 2434 B8R0.19 C#C[C@H](C)N[C@H](C)CO 321aa1a0df29e959f35d98f222e93004 [0,2,0,0,0,0|1,0,1]=4 2435 B8R0.19 C=CC(C)NC(C)CO 16bfb84f1a59540a82679309d4dc3f25 [0,2,0,0,0,0|1,0,1]=4 2436 B8R0.19 C=CC(C)N[C@@H](C)CO 9318e8c97a9de64d7856b7d040f6852d [0,2,0,0,0,0|1,0,1]=4 2437 B8R0.19 C=CC(C)N[C@H](C)CO f4599183896b7f79d673f6126dc6f883 [0,2,0,0,0,0|1,0,1]=4 2438 B8R0.19 CC(C#N)NC(C)CO 16082fa4756ff6d1573b756948c8ce77 [0,2,0,0,0,0|1,0,1]=4 2439 B8R0.19 CC(C#N)N[C@@H](C)CO 249fdaf9d78e7e7e010cb6092b61ceb7 [0,2,0,0,0,0|1,0,1]=4 2440 B8R0.19 CC(C#N)N[C@H](C)CO 4a5acb203d1f22d973c43b88d3d54075 [0,2,0,0,0,0|1,0,1]=4 2441 B8R0.19 CC(C=O)NC(C)CO 33e7f07b39146db1e5a0ba16f083ffe9 [0,2,0,0,0,0|0,0,2]=4 2442 B8R0.19 CC(C=O)N[C@@H](C)CO b551d034652d5a0aade3db27ae92c027 [0,2,0,0,0,0|0,0,2]=4 2443 B8R0.19 CC(C=O)N[C@H](C)CO d056900d3448704df85098fe9630c446 [0,2,0,0,0,0|0,0,2]=4 2444 B8R0.19 CC(CO)CN(C)CO 88f6462de4aacc7ccc10f96b517f63b5 [0,2,0,0,0,0|2,0,0]=4 2445 B8R0.19 CC(CO)NC(=O)CF ef2266eb5061b2bffbd30285b120264a [0,2,0,0,0,0|1,0,1]=4 2446 B8R0.19 CC(CO)NC(=O)CO 36e7f0a9d41f765505ec00dee787948b [0,2,0,0,0,0|0,0,1]=3 2447 B8R0.19 CC(CO)NC(=O)CS 4ca68b24b40823bba6f492cc34b6d41b [0,2,0,0,0,0|0,1,1]=4 2448 B8R0.19 CC(CO)NC(C)CO a797e2683d0d8b0723f461d57dc15931 [0,2,0,0,0,0|0,0,0]=2 2449 B8R0.19 CC(CO)N[C@@H](C)CO 437bc2abee5a28d7e18b65b84a1a202f [0,2,0,0,0,0|0,0,0]=2 2450 B8R0.19 CC(CO)N[C@H](C)C=O f1fdc52cb9f42032fc71654c1bb8453d [0,2,0,0,0,0|0,0,2]=4 2451 B8R0.19 CC(CO)N[C@H](C)CO 20cc874b2ccebbeb27007a523d899b24 [0,2,0,0,0,0|0,0,0]=2 2452 B8R0.19 CCC(=O)NC(C)CO 31f73ee0dabaaa5a17015c929f45f2fd [0,2,0,0,0,0|1,0,1]=4 2453 B8R0.19 CCC(=O)N[C@@H](C)CO a3bcc6db0615cc40ae6703cd20d3dc45 [0,2,0,0,0,0|1,0,1]=4 2454 B8R0.19 CCC(=O)N[C@H](C)CO 3449d5b097ace6785d86df28155e11e4 [0,2,0,0,0,0|1,0,1]=4 2455 B8R0.19 CCC(C)NC(=O)CO 33a44afa4449469b04b268f3719a3e59 [0,2,0,0,0,0|1,0,1]=4 2456 B8R0.19 CCC(C)NC(C)CC 876c9dcdc0f8168933f9842ebfb49dcc [0,2,0,0,0,0|2,0,0]=4 2457 B8R0.19 CCC(C)NC(C)CO 39c372ea4cef1456332b0e4a891f2be4 [0,2,0,0,0,0|1,0,0]=3 2458 B8R0.19 CCC(C)N[C@@H](C)CC 07e48a2963d6dfeaa91702f20bef1cab [0,2,0,0,0,0|2,0,0]=4 2459 B8R0.19 CCC(C)N[C@@H](C)CO 03a0460ae5de8db8276fc6c4f3d9cea4 [0,2,0,0,0,0|1,0,0]=3 2460 B8R0.19 CCC(C)N[C@H](C)CC a2f8af3677e9bd218ed8125518b8e1d7 [0,2,0,0,0,0|2,0,0]=4 2461 B8R0.19 CCC(C)N[C@H](C)CO 9839a5c86ff60244cdc275d1b4d9331f [0,2,0,0,0,0|1,0,0]=3 2462 B8R0.19 CC[C@@H](C)NC(=O)CO 102bc53795a33daa61b0e6c2cdbc40e6 [0,2,0,0,0,0|1,0,1]=4 2463 B8R0.19 CC[C@@H](C)NC(C)CO 18ed6fc25b8c14c4191fbfb8a29f3353 [0,2,0,0,0,0|1,0,0]=3 2464 B8R0.19 CC[C@@H](C)N[C@@H](C)CO 007782dc3ac7f491d3f6b8d8f3339b58 [0,2,0,0,0,0|1,0,0]=3 2465 B8R0.19 CC[C@@H](C)N[C@H](C)CO b5aae793b89cbba911f055e04d55acb2 [0,2,0,0,0,0|1,0,0]=3 2466 B8R0.19 CC[C@H](C)NC(=O)CO 7070ce3ef500a05442ee4538ea055e46 [0,2,0,0,0,0|1,0,1]=4 2467 B8R0.19 CC[C@H](C)NC(C)CO 3726c8f35150bd5080044acffa8a570c [0,2,0,0,0,0|1,0,0]=3 2468 B8R0.19 CC[C@H](C)N[C@@H](C)CO 762e9a16ea4b3bc73b0f3048e55d1b5d [0,2,0,0,0,0|1,0,0]=3 2469 B8R0.19 CC[C@H](C)N[C@H](C)CO 3fb6e84edfa80d94f40bae64bba9a957 [0,2,0,0,0,0|1,0,0]=3 2470 B8R0.19 CN(CO)CC(O)CO 1a34678058bb2fafa9e7a74b3a9971bd [0,2,0,0,0,0|2,0,0]=4 2471 B8R0.19 C[C@@H](CO)NC(=O)CF 2c1d0a1ab5fcd3bc348406e1eae8d857 [0,2,0,0,0,0|1,0,1]=4 2472 B8R0.19 C[C@@H](CO)NC(=O)CO 4ef5922646eca2409cc0528bbe495536 [0,2,0,0,0,0|0,0,1]=3 2473 B8R0.19 C[C@@H](CO)NC(=O)CS ecb25931c5ecf30a1072b0ef0c850951 [0,2,0,0,0,0|0,1,1]=4 2474 B8R0.19 C[C@@H](CO)N[C@@H](C)CO 5675e96daa4862935422ad260e619d0c [0,2,0,0,0,0|0,0,0]=2 2475 B8R0.19 C[C@H](C=O)N[C@@H](C)CO 6a73e6801be902d0186bda4c7101036d [0,2,0,0,0,0|0,0,2]=4 2476 B8R0.19 C[C@H](C=O)N[C@H](C)CO 0187f83f0b42c2fe626fa88a206aa3ec [0,2,0,0,0,0|0,0,2]=4 2477 B8R0.19 C[C@H](CO)NC(=O)CF 47adba76c977441bf582f65bebd39947 [0,2,0,0,0,0|1,0,1]=4 2478 B8R0.19 C[C@H](CO)NC(=O)CO 02a86c975d92184b3a8afd5bdd788d80 [0,2,0,0,0,0|0,0,1]=3 2479 B8R0.19 C[C@H](CO)NC(=O)CS ecf3d50d57e6bb41773d96b1c96ed61c [0,2,0,0,0,0|0,1,1]=4 2480 B8R0.19 C[C@H](CO)N[C@@H](C)CO 1ed3347a7be08a59515553d205dc80cf [0,2,0,0,0,0|0,0,0]=2 2481 B8R0.19 C[C@H](CO)N[C@H](C)CO abfb150be98f4f9d5d1d2b00478e462d [0,2,0,0,0,0|0,0,0]=2 2482 B8R0.25 C#CC(C)(C)NCCO 47a7ad33ccd7ccd598631cfe76b3a8d1 [0,2,0,0,0,0|1,0,1]=4 2483 B8R0.25 C#CCNC(C)(C)CO d46dfa6d1c0bb05323988f50771c0db4 [0,2,0,0,0,0|1,0,1]=4 2484 B8R0.25 C=CCNC(C)(C)CO 32cb00807a1cac59dc2577240a41898f [0,2,0,0,0,0|1,0,1]=4 2485 B8R0.25 CC(C)(C#N)NCCO ee178849779503587c23df89ebeef690 [0,2,0,0,0,0|1,0,1]=4 2486 B8R0.25 CC(C)(CF)NCCF 039317224161faec02ed709972b11b70 [0,2,0,0,0,0|2,0,0]=4 2487 B8R0.25 CC(C)(CF)NCCO e1d1ab02c87ce6206ec817016421ad89 [0,2,0,0,0,0|1,0,0]=3 2488 B8R0.25 CC(C)(CF)NCCS d9285f0a1fc665a866cf6027dbc2a596 [0,2,0,0,0,0|1,1,0]=4 2489 B8R0.25 CC(C)(CO)CNCO 5daf78e188925579f36dd71288d41e30 [0,2,0,0,0,0|2,0,0]=4 2490 B8R0.25 CC(C)(CO)NCC#N 4b1dd099e0cf5ef6c8612413bc496e42 [0,2,0,0,0,0|1,0,1]=4 2491 B8R0.25 CC(C)(CO)NCC=O e943279e878f7a41a900e438e4df9f58 [0,2,0,0,0,0|0,0,2]=4 2492 B8R0.25 CC(C)(CO)NCCF beb47d959f35bde17c1dd1b54f17352f [0,2,0,0,0,0|1,0,0]=3 2493 B8R0.25 CC(C)(CO)NCCO cffe5061eef85e6bd8bd20b89965617f [0,2,0,0,0,0|0,0,0]=2 2494 B8R0.25 CC(C)(CO)NCCS 17e4759ca8a00fb24c6e7cff22232a1e [0,2,0,0,0,0|0,1,0]=3 2495 B8R0.25 CCC(C)(C)NCCF 652ca92538a5ec20041f683f6cbb7c38 [0,2,0,0,0,0|2,0,0]=4 2496 B8R0.25 CCC(C)(C)NCCO 1fa36b153325fd426754ac4f6e4f58df [0,2,0,0,0,0|1,0,0]=3 2497 B8R0.25 CCC(C)(C)NCCS 674c84d3b60f94010dd1dfa057754530 [0,2,0,0,0,0|1,1,0]=4 2498 B8R0.25 CCCNC(C)(C)CC a05a333718f9a19d6720e7defdfcbf9d [0,2,0,0,0,0|2,0,0]=4 2499 B8R0.25 CCCNC(C)(C)CF 03d9f97adf7ace167999d784ae1f45be [0,2,0,0,0,0|2,0,0]=4 2500 B8R0.25 CCCNC(C)(C)CO c96a4e510c92aa5860ad36e87296bdd6 [0,2,0,0,0,0|1,0,0]=3 2501 B8R0.25 COCNC(C)(C)CO d8501271b6bc29f8f048d3bed9d13fd8 [0,2,0,0,0,0|2,0,0]=4 2502 B8R0.25 CSCNC(C)(C)CO d001c37ada39e1af4a47ed8cddcc07fe [0,2,0,0,0,0|2,0,0]=4 2503 B8R0.5 C#CCN(C)CC(C)O cfd45ddefb63b7b7f9082356e72ee65b [0,2,0,0,0,0|1,0,1]=4 2504 B8R0.5 C#CCN(C)C[C@@H](C)O b7d29eb6e5f726bdf6b090052393d21b [0,2,0,0,0,0|1,0,1]=4 2505 B8R0.5 C#CCN(C)C[C@H](C)O b552027c85ad33baf97117f1e847a6e5 [0,2,0,0,0,0|1,0,1]=4 2506 B8R0.5 C=C(Br)CN(C)CCO 04f2161f092181bead21494258a7eb25 [0,2,0,0,0,0|1,0,1]=4 2507 B8R0.5 C=C(C)CN(C)CCO 3d91c7b5e7811a5d832abe616ae4a280 [0,2,0,0,0,0|1,0,1]=4 2508 B8R0.5 C=C(Cl)CN(C)CCO f4f38b93cefea8a6e2262373359953c3 [0,2,0,0,0,0|1,0,1]=4 2509 B8R0.5 C=CCN(C)CC(C)O 98078d051a2aa42feeb30365cf9eac59 [0,2,0,0,0,0|1,0,1]=4 2510 B8R0.5 C=CCN(C)C[C@@H](C)O e167456bc4052769be3cf4c12ee18525 [0,2,0,0,0,0|1,0,1]=4 2511 B8R0.5 C=CCN(C)C[C@H](C)O d30282dbd8bfd187bc5b269104a4a2c3 [0,2,0,0,0,0|1,0,1]=4 2512 B8R0.5 CC(C)CN(C)CCF 710152e558acdec66d05a66b002702bb [0,2,0,0,0,0|2,0,0]=4 2513 B8R0.5 CC(C)CN(C)CCO 88c09d521cd5d8864d09de40f53a5749 [0,2,0,0,0,0|1,0,0]=3 2514 B8R0.5 CC(C)CN(C)CCS 0b3ba8d7f9060567fc9ae93ef8f9a73d [0,2,0,0,0,0|1,1,0]=4 2515 B8R0.5 CC(O)CC(C)NCO a3e3cf347616fa2466ad965e211d77eb [0,2,0,0,0,0|2,0,0]=4 2516 B8R0.5 CC(O)CN(C)CC#N 911dac4d6450216100b9a616917b0282 [0,2,0,0,0,0|1,0,1]=4 2517 B8R0.5 CC(O)CN(C)CC=O de7f5657d95f25cf3dc2f58b768af66b [0,2,0,0,0,0|0,0,2]=4 2518 B8R0.5 CC(O)CN(C)CCF d208e2a32e1219be6f4dc40c04cbf782 [0,2,0,0,0,0|1,0,0]=3 2519 B8R0.5 CC(O)CN(C)CCO b8c93809fd363b893059df214df9a71f [0,2,0,0,0,0|0,0,0]=2 2520 B8R0.5 CC(O)CN(C)CCS e7d6706e63901057284fa2788897ed93 [0,2,0,0,0,0|0,1,0]=3 2521 B8R0.5 CCCN(C)CC(=O)O afce971a9549e09777d29f9620e7b765 [0,2,0,0,0,0|1,0,1]=4 2522 B8R0.5 CCCN(C)CC(C)C 2b43726cfeef4d65e0d306fc15d81329 [0,2,0,0,0,0|2,0,0]=4 2523 B8R0.5 CCCN(C)CC(C)O ba71d19aa94a205bc2a8e63dac164472 [0,2,0,0,0,0|1,0,0]=3 2524 B8R0.5 CCCN(C)CC(F)F 8d7496120ef329ed87a83856ed455d01 [0,2,0,0,0,0|2,0,0]=4 2525 B8R0.5 CCCN(C)C[C@@H](C)O e21d8a4c9925e7ebdd999960638ddfd2 [0,2,0,0,0,0|1,0,0]=3 2526 B8R0.5 CCCN(C)C[C@H](C)O 8866f4aefe80bbaf9ef0e79e608206ab [0,2,0,0,0,0|1,0,0]=3 2527 B8R0.5 CN(C)CN(C)CCO 4e6dcd4d772c57dbd049efe6a2664d25 [0,2,0,0,0,0|2,0,0]=4 2528 B8R0.5 CN(CCF)CC(=O)O 378a586b4ce9b0291e7e9d64e15c1748 [0,2,0,0,0,0|1,0,1]=4 2529 B8R0.5 CN(CCF)CC(F)F 857a26227a2eb4a3b8c2caab0b46a44d [0,2,0,0,0,0|2,0,0]=4 2530 B8R0.5 CN(CCO)CC(=O)N 0888a0a37efb8cd042350a61e8c75fb4 [0,2,0,0,0,0|0,0,2]=4 2531 B8R0.5 CN(CCO)CC(=O)O e22eedcab85615a7cb9a01481995f5a1 [0,2,0,0,0,0|0,0,1]=3 2532 B8R0.5 CN(CCO)CC(F)F acc03c783245b210db5145a7343c6107 [0,2,0,0,0,0|1,0,0]=3 2533 B8R0.5 CN(CCO)C[N+](=O)[O-] 744833b966e88885947b0234a2941619 [0,2,0,0,0,0|1,0,1]=4 2534 B8R0.5 CN(CCS)CC(=O)O 20a126cdeaa5b2f572a540b4b00dcdb8 [0,2,0,0,0,0|0,1,1]=4 2535 B8R0.5 CN(CCS)CC(F)F bf69d141476b15f6be14378c839f7010 [0,2,0,0,0,0|1,1,0]=4 2536 B8R0.5 COCN(C)CC(C)O 236ef8cf66ea95220e886cd11f898eee [0,2,0,0,0,0|2,0,0]=4 2537 B8R0.5 COCN(C)C[C@H](C)O d0cec2a0e9e49d3fd200a1f1b3460073 [0,2,0,0,0,0|2,0,0]=4 2538 B8R0.5 CSCN(C)CC(C)O 19b09d20f60ba10a7233c42a0094d940 [0,2,0,0,0,0|2,0,0]=4 2539 B8R0.5 CSCN(C)C[C@H](C)O a1cd0a54d282bd0dcdd24b2e9143dd2d [0,2,0,0,0,0|2,0,0]=4 2540 B8R0.5 C[C@@H](O)CN(C)CC#N d2a01ef22dd22974e305d1040e01cc31 [0,2,0,0,0,0|1,0,1]=4 2541 B8R0.5 C[C@@H](O)CN(C)CCF 126ff326a556bc086395534b8f58a986 [0,2,0,0,0,0|1,0,0]=3 2542 B8R0.5 C[C@@H](O)CN(C)CCO b2075f300e9096bf9f56060a06fe5fff [0,2,0,0,0,0|0,0,0]=2 2543 B8R0.5 C[C@H](O)CN(C)CC#N 82291fa9a9d77ef8925eb804942f26a9 [0,2,0,0,0,0|1,0,1]=4 2544 B8R0.5 C[C@H](O)CN(C)CC=O 1ad8d34f6cccdcc35daf414f3197a578 [0,2,0,0,0,0|0,0,2]=4 2545 B8R0.5 C[C@H](O)CN(C)CCF 0035923f0b284ef55440b2a2ec1d53f8 [0,2,0,0,0,0|1,0,0]=3 2546 B8R0.5 C[C@H](O)CN(C)CCO 3ac89c90dc792061538bdb13c697b5b7 [0,2,0,0,0,0|0,0,0]=2 2547 B8R0.5 C[C@H](O)CN(C)CCS 4eb7ed53de9d466688e0eafcb5798f80 [0,2,0,0,0,0|0,1,0]=3 2548 B8R0.21 C#CCNCC(C)(C)O a86e6aa7d3d345ada1500d46b145d89a [0,2,0,0,0,0|1,0,1]=4 2549 B8R0.21 C=CCNCC(C)(C)O b737e0ff54c9705607b3b70dab40165b [0,2,0,0,0,0|1,0,1]=4 2550 B8R0.21 CC(C)(C)CNCCBr ab4f95b3fcb09cc55328f04b3f723b72 [0,2,0,0,0,0|2,0,0]=4 2551 B8R0.21 CC(C)(C)CNCCF 3ac2be16de35e3275190d9c2c9f27af8 [0,2,0,0,0,0|2,0,0]=4 2552 B8R0.21 CC(C)(C)CNCCI 4dec654e3190096f220e641a067fb0d2 [0,2,0,0,0,0|2,0,0]=4 2553 B8R0.21 CC(C)(C)CNCCO 1969be2a44e089e2071e08e64ddba8c7 [0,2,0,0,0,0|1,0,0]=3 2554 B8R0.21 CC(C)(C)CNCCS 2a17af39e0cc104c4b56170e9cca99a7 [0,2,0,0,0,0|1,1,0]=4 2555 B8R0.21 CC(C)(F)CNCCBr 7cf14970c3bb6f8eb0672bd23e040c20 [0,2,0,0,0,0|2,0,0]=4 2556 B8R0.21 CC(C)(F)CNCCF bdffae259b57d7e64099c976657cb70d [0,2,0,0,0,0|2,0,0]=4 2557 B8R0.21 CC(C)(F)CNCCI 7aea34628ee8e9685f9ba301b1c61824 [0,2,0,0,0,0|2,0,0]=4 2558 B8R0.21 CC(C)(F)CNCCO 3ffdcadd4c4375266f1503c3a0acf28f [0,2,0,0,0,0|1,0,0]=3 2559 B8R0.21 CC(C)(F)CNCCS c006f81cf3dc553097da941499bcc429 [0,2,0,0,0,0|1,1,0]=4 2560 B8R0.21 CC(C)(O)CCNCO 2b9aaa913a62fa11814823541928ac4b [0,2,0,0,0,0|2,0,0]=4 2561 B8R0.21 CC(C)(O)CNCC#N 8f13eb9f6b7dcb12e61c8cd14c686f8c [0,2,0,0,0,0|1,0,1]=4 2562 B8R0.21 CC(C)(O)CNCC=O 0b6f9a66e3da10f9fae74e8313e10a67 [0,2,0,0,0,0|0,0,2]=4 2563 B8R0.21 CC(C)(O)CNCCBr 3c9c56a93ecaf1923b6c576737118e47 [0,2,0,0,0,0|1,0,0]=3 2564 B8R0.21 CC(C)(O)CNCCF a851c3532b7a50b23ee1777a9ee4dc1b [0,2,0,0,0,0|1,0,0]=3 2565 B8R0.21 CC(C)(O)CNCCI b8a012db9410b1f8696da47a89750516 [0,2,0,0,0,0|1,0,0]=3 2566 B8R0.21 CC(C)(O)CNCCO 01ce85d4a372c912a8dbff055728e440 [0,2,0,0,0,0|0,0,0]=2 2567 B8R0.21 CC(C)(O)CNCCS 469df539bef92aa4d66e507b802eef8b [0,2,0,0,0,0|0,1,0]=3 2568 B8R0.21 CC(C)(O)COCCF 7180f2343230eabaefc7c93739ab442b [0,2,0,0,0,0|2,0,0]=4 2569 B8R0.21 CC(C)(O)COCCS fee0ef503b26d3cea6c7f19ce266af5f [0,2,0,0,0,0|1,1,0]=4 2570 B8R0.21 CC(F)(F)CNCCBr be1056cb8e01a504d9e9be7918ba86c0 [0,2,0,0,0,0|2,0,0]=4 2571 B8R0.21 CC(F)(F)CNCCF e67dbb05b3f3e93abda92772c675d414 [0,2,0,0,0,0|2,0,0]=4 2572 B8R0.21 CC(F)(F)CNCCI bc7bcbbe9ed5119ddfc1a5cca27e3f3f [0,2,0,0,0,0|2,0,0]=4 2573 B8R0.21 CC(F)(F)CNCCO 070c06b0a13ad169dd96db3d5478c556 [0,2,0,0,0,0|1,0,0]=3 2574 B8R0.21 CC(F)(F)CNCCS c4f5fb254e64936e8fc1b8bd43d65c65 [0,2,0,0,0,0|1,1,0]=4 2575 B8R0.21 CCCNCC(C)(C)C 59a6b09e64c5d3391aa37877dc38b9aa [0,2,0,0,0,0|2,0,0]=4 2576 B8R0.21 CCCNCC(C)(C)F 45727c7814d5289bec39026f2d077722 [0,2,0,0,0,0|2,0,0]=4 2577 B8R0.21 CCCNCC(C)(C)O 18de978f243abf958b8fb4be676e0386 [0,2,0,0,0,0|1,0,0]=3 2578 B8R0.21 CCCNCC(C)(F)F e65393d4a3147d765237e89fcc776de8 [0,2,0,0,0,0|2,0,0]=4 2579 B8R0.21 CCCNCC(F)(F)F 4f4323f4b18337fa5cb6127fe6b77677 [0,2,0,0,0,0|2,0,0]=4 2580 B8R0.21 CCCNCS(=O)(=O)O c0c272cba9e882210fb295ca9f24006a [0,2,0,0,0,0|2,0,0]=4 2581 B8R0.21 CCCOCC(C)(C)O 1864f457114911e4333323706aaf3c13 [0,2,0,0,0,0|2,0,0]=4 2582 B8R0.21 COCNCC(C)(C)O b0fcf19c1ed04c9dde7445a33a78a5d2 [0,2,0,0,0,0|2,0,0]=4 2583 B8R0.21 CS(=O)(=O)CNCCO 3c300d30080477580dd724dbedfe07e5 [0,2,0,0,0,0|1,0,1]=4 2584 B8R0.21 CSCNCC(C)(C)O 2958c74c1780f4b78ffaf2dfd4f45e6a [0,2,0,0,0,0|2,0,0]=4 2585 B8R0.21 FC(F)(F)CNCCBr da645f8462e4280a4f5f5b4fda730ca2 [0,2,0,0,0,0|2,0,0]=4 2586 B8R0.21 FC(F)(F)CNCCI 7e40c1581ab2762c31385d3753442d19 [0,2,0,0,0,0|2,0,0]=4 2587 B8R0.21 FC(F)(F)CNCCS a506e669c1eb68a38f4ebdd2f1de4900 [0,2,0,0,0,0|1,1,0]=4 2588 B8R0.21 FCCNCC(F)(F)F 37fa089708e341cdeb536888e9629d8f [0,2,0,0,0,0|2,0,0]=4 2589 B8R0.21 O=S(=O)(O)CNCCBr 39384781ab8ced3c46e702ed1a016fa0 [0,2,0,0,0,0|2,0,0]=4 2590 B8R0.21 O=S(=O)(O)CNCCF 518e304fb04a6d64296eeff3e3703547 [0,2,0,0,0,0|2,0,0]=4 2591 B8R0.21 O=S(=O)(O)CNCCI 980de2793553854b7b80f9bc404c21ae [0,2,0,0,0,0|2,0,0]=4 2592 B8R0.21 O=S(=O)(O)CNCCO 21a8a84caaf2ec0426f64a432c6ccee3 [0,2,0,0,0,0|1,0,0]=3 2593 B8R0.21 O=S(=O)(O)CNCCS dd21da3dfbd433caf9bcaab91f5648b2 [0,2,0,0,0,0|1,1,0]=4 2594 B8R0.21 OCCNCC(F)(F)F 068af44cbb7eb65b7f67535080f8e142 [0,2,0,0,0,0|1,0,0]=3 2595 B8R0.28 C=C(Br)CNCC(C)O 9fb88a0948d2e5bdf12f9b78629816f0 [0,2,0,0,0,0|1,0,1]=4 2596 B8R0.28 C=C(Br)CNC[C@@H](C)O 843a61826fe7455ba2b3f5f07151d5c5 [0,2,0,0,0,0|1,0,1]=4 2597 B8R0.28 C=C(Br)CNC[C@H](C)O 0daca7fb153be7ef914c69654154289c [0,2,0,0,0,0|1,0,1]=4 2598 B8R0.28 C=C(C)CNCC(C)O 2b714059ab9907260e6aaccb52d1cb14 [0,2,0,0,0,0|1,0,1]=4 2599 B8R0.28 C=C(C)CNC[C@@H](C)O c594a1781a89398e4ea1a6fed43fc869 [0,2,0,0,0,0|1,0,1]=4 2600 B8R0.28 C=C(C)CNC[C@H](C)O a78b3c91bc5afc2963451088f5a91de2 [0,2,0,0,0,0|1,0,1]=4 2601 B8R0.28 C=C(Cl)CNCC(C)O 5723a59eceb538443c101fe4a14a018e [0,2,0,0,0,0|1,0,1]=4 2602 B8R0.28 C=C(Cl)CNC[C@@H](C)O f53fddb474e2270f7fa67d391d9fef18 [0,2,0,0,0,0|1,0,1]=4 2603 B8R0.28 C=C(Cl)CNC[C@H](C)O dfc3eeb46d1a4de13fa18f5be91bff05 [0,2,0,0,0,0|1,0,1]=4 2604 B8R0.28 C=C(F)CNCC(C)O bc993c0f4fc07f9dd2d0a6e11268cc9c [0,2,0,0,0,0|1,0,1]=4 2605 B8R0.28 C=C(F)CNC[C@@H](C)O 22a4aa447954801f083163f99675e6c7 [0,2,0,0,0,0|1,0,1]=4 2606 B8R0.28 C=C(F)CNC[C@H](C)O aacdff2ab85fae1372e6021530c115ca [0,2,0,0,0,0|1,0,1]=4 2607 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,2,0,0,0,0|0,0,2]=4 2608 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,2,0,0,0,0|0,0,2]=4 2609 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,2,0,0,0,0|0,0,2]=4 2610 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,2,0,0,0,0|1,0,1]=4 2611 B8R0.28 CC(C)CNCC(C)C 7f823540f830bc89c74acb4f018c9b6c [0,2,0,0,0,0|2,0,0]=4 2612 B8R0.28 CC(C)CNCC(C)O f8d531c214571702a8653351806334e8 [0,2,0,0,0,0|1,0,0]=3 2613 B8R0.28 CC(C)CNCC(F)F 763ad9cf9b371d0b523e06ea7e78f6cc [0,2,0,0,0,0|2,0,0]=4 2614 B8R0.28 CC(C)CNC[C@@H](C)O 4626559d474fbd5d133e353e8138e591 [0,2,0,0,0,0|1,0,0]=3 2615 B8R0.28 CC(C)CNC[C@H](C)O 5c0fd92b864c5a52f9fd6fbeaf433485 [0,2,0,0,0,0|1,0,0]=3 2616 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,2,0,0,0,0|0,0,2]=4 2617 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,2,0,0,0,0|0,0,1]=3 2618 B8R0.28 CC(O)CNCC(C)O 4a2a1f1df64d323049b6cc3bed5f7eec [0,2,0,0,0,0|0,0,0]=2 2619 B8R0.28 CC(O)CNCC(F)F 1b83b15bbac702bc01a23157fe765803 [0,2,0,0,0,0|1,0,0]=3 2620 B8R0.28 CC(O)CNCN(C)C 7ab35b459b0e2a8c24cce369c7516e65 [0,2,0,0,0,0|2,0,0]=4 2621 B8R0.28 CC(O)CNC[C@@H](C)O a13654c0e0b2e8824a94b55cc885b895 [0,2,0,0,0,0|0,0,0]=2 2622 B8R0.28 CC(O)CNC[C@H](C)O bb487d5d5b847c9d75f817219d3b7658 [0,2,0,0,0,0|0,0,0]=2 2623 B8R0.28 CC(O)CNC[N+](=O)[O-] bc0706f83a86096652412116c255ac51 [0,2,0,0,0,0|1,0,1]=4 2624 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,2,0,0,0,0|0,0,2]=4 2625 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,2,0,0,0,0|0,0,1]=3 2626 B8R0.28 C[C@@H](O)CNCC(F)F 2ee5adc5bed91f8b9edb519b6f0cb46e [0,2,0,0,0,0|1,0,0]=3 2627 B8R0.28 C[C@@H](O)CNCN(C)C a621fba5932a5a91195f957cafc83517 [0,2,0,0,0,0|2,0,0]=4 2628 B8R0.28 C[C@@H](O)CNC[C@@H](C)O 16696c158ac89d0a205b741acfd241ab [0,2,0,0,0,0|0,0,0]=2 2629 B8R0.28 C[C@@H](O)CNC[N+](=O)[O-] 01add8d4900a3d2c9dbb3cfa1d1d3bed [0,2,0,0,0,0|1,0,1]=4 2630 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,2,0,0,0,0|0,0,2]=4 2631 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,2,0,0,0,0|0,0,1]=3 2632 B8R0.28 C[C@H](O)CNCC(F)F fc34108293401fc2ee02069e96c7e7ef [0,2,0,0,0,0|1,0,0]=3 2633 B8R0.28 C[C@H](O)CNCN(C)C 71021cc17fa239f6175ca48c6a3f76ca [0,2,0,0,0,0|2,0,0]=4 2634 B8R0.28 C[C@H](O)CNC[C@@H](C)O f1681b429c26c45959758bad686c97ff [0,2,0,0,0,0|0,0,0]=2 2635 B8R0.28 C[C@H](O)CNC[C@H](C)O bcf7a2c6e4dddb3906509a8f040e6475 [0,2,0,0,0,0|0,0,0]=2 2636 B8R0.28 C[C@H](O)CNC[N+](=O)[O-] 071b6815174fac0844082b8d40c109bc [0,2,0,0,0,0|1,0,1]=4 2637 B8R0.28 FC(F)CNCC(F)F 6b134fcdcadf88c75b907442e4d847ec [0,2,0,0,0,0|2,0,0]=4 2638 B8R0.28 O=C(O)CNCC(=O)O 7ab7bcf73fc666bf191dd4d7783c1974 [0,2,0,0,0,0|0,0,2]=4 2639 B8R0.28 O=C(O)CNCC(F)F 040842ed6827b9851af762c119c56595 [0,2,0,0,0,0|1,0,1]=4 2640 B8R0.22 C#CCN(C=O)CCO 352bf46c53b20c214584ab18cf9ac55d [0,2,0,0,0,0|1,0,1]=4 2641 B8R0.22 C#CCN(CC)CCO 41f4c18f67e2144d9f4c990f64b57fe6 [0,2,0,0,0,0|1,0,1]=4 2642 B8R0.22 C#CCN(CF)CCO d2decf2b88b0e81f9aa3d03dd0e99e53 [0,2,0,0,0,0|1,0,1]=4 2643 B8R0.22 C#CCN(CO)CCO f282ae20c39c9923c12395ebde074660 [0,2,0,0,0,0|1,0,1]=4 2644 B8R0.22 C=CCN(C#N)CCO c3401a6ab0a4898ce739ee0381f00627 [0,2,0,0,0,0|1,0,1]=4 2645 B8R0.22 C=CCN(C=O)CCO 59fe35bdf9373f478a2858e3350b9154 [0,2,0,0,0,0|1,0,1]=4 2646 B8R0.22 C=CCN(CC)CCO 7d28a026898d27fca31de2931dbf75f7 [0,2,0,0,0,0|1,0,1]=4 2647 B8R0.22 C=CCN(CF)CCO 037952179228c317b480e20a017b42a2 [0,2,0,0,0,0|1,0,1]=4 2648 B8R0.22 C=CCN(CO)CCO f0ed49e61829cc15ffae0d7c16eb2733 [0,2,0,0,0,0|1,0,1]=4 2649 B8R0.22 CCCN(C=O)CCC b8d16e0fe5e219991097fa7af52168fc [0,2,0,0,0,0|2,0,0]=4 2650 B8R0.22 CCCN(C=O)CCO 05c7e3c748b410d220017381f77da8d3 [0,2,0,0,0,0|1,0,0]=3 2651 B8R0.22 CCCN(CC)CCC fbdeabbee1b9c3e90ce0dba0622f60e1 [0,2,0,0,0,0|2,0,0]=4 2652 B8R0.22 CCCN(CC)CCCl e10d54888c8be58f6c48a2109cd3c712 [0,2,0,0,0,0|2,0,0]=4 2653 B8R0.22 CCCN(CC)CCF 2df08daadfb37609698739d31facd805 [0,2,0,0,0,0|2,0,0]=4 2654 B8R0.22 CCCN(CC)CCO e12c7b9084df978bc76507edd9bb317c [0,2,0,0,0,0|1,0,0]=3 2655 B8R0.22 CCCN(CC)CCS d13e9cb0503ea391c9c728c78375cf51 [0,2,0,0,0,0|1,1,0]=4 2656 B8R0.22 CCCN(CF)CCC 13308840e37fb0db9101f8040f290680 [0,2,0,0,0,0|2,0,0]=4 2657 B8R0.22 CCCN(CF)CCO 947883a1ea303d435cd0024eececcb8b [0,2,0,0,0,0|1,0,0]=3 2658 B8R0.22 CCCN(CO)CCC 8895812a51d2f9ffd61abab1a697cc71 [0,2,0,0,0,0|2,0,0]=4 2659 B8R0.22 CCCN(CO)CCO a9884a3b6c19ddd60ead7c1eabb3daee [0,2,0,0,0,0|1,0,0]=3 2660 B8R0.22 CCN(CC#N)CCO d40560077f8f65677e740aa2d7588588 [0,2,0,0,0,0|1,0,1]=4 2661 B8R0.22 CCN(CC=O)CCO 97dbc0347b45240747141aa67b4d0675 [0,2,0,0,0,0|0,0,2]=4 2662 B8R0.22 CCN(CCCl)CCCl 3ad8c1292279d9440a0a3b1334f73aef [0,2,0,0,0,0|2,0,0]=4 2663 B8R0.22 CCN(CCF)CCCl 420700ec2ba2eadfcc63a9b7d071c641 [0,2,0,0,0,0|2,0,0]=4 2664 B8R0.22 CCN(CCO)CCCl 65cd319c6307870729e48a3e552a6aa2 [0,2,0,0,0,0|1,0,0]=3 2665 B8R0.22 CCN(CCO)CCF fa5e1cada6e73f683304dcd0c0f55ac1 [0,2,0,0,0,0|1,0,0]=3 2666 B8R0.22 CCN(CCO)CCO 9cbcf20b5fddfabd1cad8fe755485c1c [0,2,0,0,0,0|0,0,0]=2 2667 B8R0.22 CCN(CCO)CCS 7ea7dce4852d7b641f31fdb321299f3a [0,2,0,0,0,0|0,1,0]=3 2668 B8R0.22 CCN(CCO)COC 9099b2b31751a5605feb95e73a2364ea [0,2,0,0,0,0|2,0,0]=4 2669 B8R0.22 CCN(CCO)CSC d9bbcc3a3af0972fcb21cbffca60ef32 [0,2,0,0,0,0|2,0,0]=4 2670 B8R0.22 CCN(CCS)CCCl 19a9324aa25c2915fe8fb8e728121384 [0,2,0,0,0,0|1,1,0]=4 2671 B8R0.22 COCN(CO)CCO f016aeda88273f0f69c7e5f063648888 [0,2,0,0,0,0|2,0,0]=4 2672 B8R0.22 CSCN(CO)CCO 24a609e113686e60d11c563abe1a7dde [0,2,0,0,0,0|2,0,0]=4 2673 B8R0.22 FCN(CCCl)CCCl bc18d04f93728888385b6086a0e8b389 [0,2,0,0,0,0|2,0,0]=4 2674 B8R0.22 N#CCN(CO)CCO fbdeb1e1558d5ef278bb051daa1bca98 [0,2,0,0,0,0|1,0,1]=4 2675 B8R0.22 O=CCN(CO)CCO 2b815b0b958039d51c66791793833e59 [0,2,0,0,0,0|0,0,2]=4 2676 B8R0.22 O=CN(CCCl)CCCl 054ac3afb7fe32e280913aeabd7450cf [0,2,0,0,0,0|2,0,0]=4 2677 B8R0.22 O=CN(CCO)CCO c0fe14cb4fe87b0f51f8507a4f962117 [0,2,0,0,0,0|0,0,0]=2 2678 B8R0.22 OCCC(CO)NCO d0e768d7c97311b53dcb51fdf5432d42 [0,2,0,0,0,0|2,0,0]=4 2679 B8R0.22 OCCN(CF)CCO efb5ebe687d0abe3323b41c188266a04 [0,2,0,0,0,0|0,0,0]=2 2680 B8R0.22 OCCN(CO)CCF 6e012e81de64bb5cd6aa3f9843a7185a [0,2,0,0,0,0|1,0,0]=3 2681 B8R0.22 OCCN(CO)CCO 9f3b82a638e7222be265b6a91b24ff07 [0,2,0,0,0,0|0,0,0]=2 2682 B8R0.22 OCCN(CO)CCS c2a5fa74363701b5c132913717275ae1 [0,2,0,0,0,0|0,1,0]=3 2683 B8R0.22 OCC[C@H](CO)NCO 9d92e89e897a98a55378d89c1ea6dd19 [0,2,0,0,0,0|2,0,0]=4 2684 B8R0.22 OCN(CCCl)CCCl 6dcc01f7c7317bdd36bfeeca73a2fd74 [0,2,0,0,0,0|2,0,0]=4 2685 B8R0.30 CC(C)(CCO)NCO 9fce763dfe3847a6458b99e3ba3120db [0,2,0,0,0,0|2,0,0]=4 2686 B6R1.3 CCNC1CC1 ac3981af76d7269974e900b3cfc5de71 [1,0,0,1,0,0|1,0,0]=3 2687 B6R1.3 CCOC1CC1 2c69a519fd7808244f9f88e8c40da7c1 [1,0,0,1,0,0|2,0,0]=4 2688 B6R1.3 FCNC1CC1 1715feed97cb051cb760323cf608febe [1,0,0,1,0,0|2,0,0]=4 2689 B6R1.3 OCNC1CC1 101960c0f522708da07270474b234f44 [1,0,0,1,0,0|1,0,0]=3 2690 B6R1.6 CCN1CCC1 23b7abd822d5f351048cbd744915c161 [1,0,0,1,0,0|1,0,0]=3 2691 B6R1.6 FCN1CCC1 be36fe433e3b5fde99e14f4c177c697e [1,0,0,1,0,0|2,0,0]=4 2692 B6R1.6 OCN1CCC1 f3cac714768fc30717bf6da5686dc581 [1,0,0,1,0,0|1,0,0]=3 2693 B8R1.2 OCN1CCCOC1 5d3795378d3cf5e5400d928253cd75c6 [0,1,0,1,0,0|2,0,0]=4 2694 B8R1.2 OCN1CCCSC1 29a305b970bef8ec6ed20eb90ae3d8b0 [0,1,0,1,0,0|2,0,0]=4 2695 B8R1.8 CCCN1CCSC1 4eb37c52d022d9b252d68ff1a2c12b91 [0,1,0,1,0,0|1,1,0]=4 2696 B8R1.8 CCOC1CCCO1 ace7c24bdcea053e870832c56c8928c4 [0,1,0,1,0,0|2,0,0]=4 2697 B8R1.8 FCCN1CCSC1 6af16dfa6898a2480480632ee8bf7317 [0,1,0,1,0,0|1,1,0]=4 2698 B8R1.8 FCOC1CCCO1 341775c5b3881699fcb9a13a61611ec4 [0,1,0,1,0,0|2,0,0]=4 2699 B8R1.8 OCCN1CC=CC1 d8348ec800744cd0d63d462c0c3539da [0,1,0,1,0,0|1,0,1]=4 2700 B8R1.8 OCCN1CCSC1 67a404917dcee6f4aa03a761c726b678 [0,1,0,1,0,0|0,1,0]=3 2701 B8R1.8 OCNC1CCCC1 bd97d9ff634af16a4e2cdcc6aa11ca03 [0,1,0,1,0,0|2,0,0]=4 2702 B8R1.8 OCNC1CCOC1 2fc8497bfce18cddcd2256e4a71178b1 [0,1,0,1,0,0|2,0,0]=4 2703 B8R1.8 OCN[C@@H]1CCOC1 6debdc226aca736be6aa7594d0bc0c90 [0,1,0,1,0,0|2,0,0]=4 2704 B8R1.8 OCN[C@H]1CCOC1 30751a1a06fdde461d2f17b22a6d40ea [0,1,0,1,0,0|2,0,0]=4 2705 B8R1.8 SCCN1CCSC1 f1d337fb2e1392cc6e55ab3e453d1142 [0,1,0,1,0,0|0,2,0]=4 2706 B8R1.9 CC1CC1NCCF 57d7955f9979d26743bea83a1db70e87 [0,1,0,1,0,0|2,0,0]=4 2707 B8R1.9 CC1CC1NCCO 4cde00481925a0824f1034e8ce0d4ec3 [0,1,0,1,0,0|1,0,0]=3 2708 B8R1.9 CC1CC1NCCS 0657ee02a4d9bc437769337d347aaeb2 [0,1,0,1,0,0|1,1,0]=4 2709 B8R1.9 CCCNC1CC1C 0a698bf1fb13624ef2e48e54bc092aff [0,1,0,1,0,0|2,0,0]=4 2710 B8R1.9 CCCN[C@@H]1C[C@H]1F 07aa43c95c9d08f0ae29dc5e4bcc3889 [0,1,0,1,0,0|2,0,0]=4 2711 B8R1.9 CCCN[C@H]1C[C@@H]1F 55532eeca14849d15f8451fb735a56a4 [0,1,0,1,0,0|2,0,0]=4 2712 B8R1.9 CCCN[C@H]1C[C@H]1F 945c58902ae8fb488078f3a1433cf7d9 [0,1,0,1,0,0|2,0,0]=4 2713 B8R1.9 FCCN[C@@H]1C[C@H]1F d6033194316a4ab3060e3e20abeabe64 [0,1,0,1,0,0|2,0,0]=4 2714 B8R1.9 FCCN[C@H]1C[C@@H]1F eff0879f37a81c1a2ab4d24b39f33ad8 [0,1,0,1,0,0|2,0,0]=4 2715 B8R1.9 FCCN[C@H]1C[C@H]1F 1a1918a4c9f73b6dcdf7521baf58f83a [0,1,0,1,0,0|2,0,0]=4 2716 B8R1.9 F[C@@H]1C[C@@H]1NCCS 994e7c645df92a4103650c54a2814aba [0,1,0,1,0,0|1,1,0]=4 2717 B8R1.9 F[C@@H]1C[C@H]1NCCS b56eb8dd5b8b555ba715234adae39162 [0,1,0,1,0,0|1,1,0]=4 2718 B8R1.9 F[C@H]1C[C@@H]1NCCS b3a54f8e93358eb50b0aed8e2c9feb93 [0,1,0,1,0,0|1,1,0]=4 2719 B8R1.9 OCCN[C@@H]1C[C@H]1F 1b75a1b15b85c71d1ae7189da4b08d35 [0,1,0,1,0,0|1,0,0]=3 2720 B8R1.9 OCCN[C@H]1C[C@@H]1F fff94f1987a2782cf968b7db00149a76 [0,1,0,1,0,0|1,0,0]=3 2721 B8R1.9 OCCN[C@H]1C[C@H]1F 706ee184d6680808da5b282894b8be7e [0,1,0,1,0,0|1,0,0]=3 2722 B8R1.10 BrCCNC1CCC1 40e6a4ec294e1a7c79a2d09d5945c1e7 [0,1,0,1,0,0|2,0,0]=4 2723 B8R1.10 BrCCNC1COC1 e819fa89fbdd7706f7137c2c1d4fb318 [0,1,0,1,0,0|1,0,0]=3 2724 B8R1.10 C#CCCN1CCC1 fdd2534dc24125be5e2b46f1fb6b87c0 [0,1,0,1,0,0|2,0,0]=4 2725 B8R1.10 C#CCNC1COC1 8516b2dd3c31722aeb0d5b590022b72d [0,1,0,1,0,0|1,0,1]=4 2726 B8R1.10 C=CCCN1CCC1 90ae1a1b6d98a52229ff5334995e0ff1 [0,1,0,1,0,0|2,0,0]=4 2727 B8R1.10 C=CCNC1COC1 71e6907bac04313c632066cdd8a7e800 [0,1,0,1,0,0|1,0,1]=4 2728 B8R1.10 CCCCN1CCC1 7fbca42388bc0dd3c1b836c8bc1c15ea [0,1,0,1,0,0|2,0,0]=4 2729 B8R1.10 CCCNC1CCC1 0d5b8030ddd2a1e07521f601d888db58 [0,1,0,1,0,0|2,0,0]=4 2730 B8R1.10 CCCNC1COC1 921f8c35ddc25c301dc3c1bb5c0fe6b6 [0,1,0,1,0,0|1,0,0]=3 2731 B8R1.10 CCCOC1COC1 cec208fe33e8a6631cedc1d889971cbc [0,1,0,1,0,0|2,0,0]=4 2732 B8R1.10 CCNCC1CCO1 adc8bc943b2800391aa94f7416a09286 [0,1,0,1,0,0|2,0,0]=4 2733 B8R1.10 CCNC[C@@H]1CCO1 9aba48d1f47470a09a7d35987a5e8ef0 [0,1,0,1,0,0|2,0,0]=4 2734 B8R1.10 CCNC[C@H]1CCO1 31fbc41ff0d13846dbeceac9b5a26021 [0,1,0,1,0,0|2,0,0]=4 2735 B8R1.10 CCOCC1CCO1 46f20f884871fb02e5439ea768f341df [0,1,0,1,0,0|2,0,0]=4 2736 B8R1.10 CCOCN1CCC1 7f8bcaafce643ae0c473400a947eab9d [0,1,0,1,0,0|2,0,0]=4 2737 B8R1.10 CCOC[C@@H]1CCO1 8e7e4c4711f67b56ad5c5f6f6bf92524 [0,1,0,1,0,0|2,0,0]=4 2738 B8R1.10 CCOC[C@H]1CCO1 4172e43302b2071a73023d12b6c9bf61 [0,1,0,1,0,0|2,0,0]=4 2739 B8R1.10 COCCN1CCC1 e94ebefbab355261b351bf6278fb2861 [0,1,0,1,0,0|1,0,0]=3 2740 B8R1.10 COCNC1COC1 d1b8f3d05f54447b7a16ecdb39023e03 [0,1,0,1,0,0|2,0,0]=4 2741 B8R1.10 CSCCN1CCC1 9792545c82f20ff9437db0c960cae46b [0,1,0,1,0,0|1,1,0]=4 2742 B8R1.10 CSCNC1COC1 11a5c4a214a3b9569eae8602545a91f2 [0,1,0,1,0,0|2,0,0]=4 2743 B8R1.10 FCCCN1CCC1 ce9883ed98348c3043ca281e3aae0921 [0,1,0,1,0,0|2,0,0]=4 2744 B8R1.10 FCCNC1CCC1 6c50c71efa524262d161e2ffe19ec3cd [0,1,0,1,0,0|2,0,0]=4 2745 B8R1.10 FCCNC1COC1 6499ce7b9c8a53e086a39250474eb9ea [0,1,0,1,0,0|1,0,0]=3 2746 B8R1.10 FCCOC1COC1 995b392a63523384b4aa63fcc36fa91b [0,1,0,1,0,0|2,0,0]=4 2747 B8R1.10 FCNCC1CCO1 8a7b70390361153407991f19d28b8f0e [0,1,0,1,0,0|2,0,0]=4 2748 B8R1.10 FCNC[C@@H]1CCO1 1f782474e7be23704762359160df4f7b [0,1,0,1,0,0|2,0,0]=4 2749 B8R1.10 FCNC[C@H]1CCO1 28bf090b6360c4605c078dd8002cbc9f [0,1,0,1,0,0|2,0,0]=4 2750 B8R1.10 FCOCC1CCO1 c27fe081bf2dfc17ce2bf4e621c4fc43 [0,1,0,1,0,0|2,0,0]=4 2751 B8R1.10 FCOC[C@@H]1CCO1 fcfe2cd8646a0e463eaddec5bfa63be3 [0,1,0,1,0,0|2,0,0]=4 2752 B8R1.10 FCOC[C@H]1CCO1 94e16fdf17b70d6847760c0547fca05b [0,1,0,1,0,0|2,0,0]=4 2753 B8R1.10 ICCNC1CCC1 5d0888592d88c5c69c12e0ffd001bfa9 [0,1,0,1,0,0|2,0,0]=4 2754 B8R1.10 ICCNC1COC1 5daf1005f9c8b9ad6358fe1f3d036c33 [0,1,0,1,0,0|1,0,0]=3 2755 B8R1.10 N#CCCN1CCC1 0bb17918bb73fcbc19890110574cfd48 [0,1,0,1,0,0|2,0,0]=4 2756 B8R1.10 N#CCNC1COC1 6524a53317d0a3ca2698cd385203cbfd [0,1,0,1,0,0|1,0,1]=4 2757 B8R1.10 O/C=C\CN1CCC1 ceb74e04410e0aa0dd366ad1e3de0674 [0,1,0,1,0,0|1,0,1]=4 2758 B8R1.10 O=CCCN1CCC1 8fc22dace4a53f5fd2e5bf24e18f5eea [0,1,0,1,0,0|1,0,1]=4 2759 B8R1.10 O=CCNC1COC1 1d6ece322c89f3d7cc823190a32662af [0,1,0,1,0,0|0,0,2]=4 2760 B8R1.10 OCCCN1CCC1 9c6f6bdabd0b2602126e7a24b406e0df [0,1,0,1,0,0|1,0,0]=3 2761 B8R1.10 OCCNC1CCC1 5fc98dae4c4d961193ac3b840bca29d5 [0,1,0,1,0,0|1,0,0]=3 2762 B8R1.10 OCCNC1COC1 25b9e126063b76a062533df6c23b3bac [0,1,0,1,0,0|0,0,0]=2 2763 B8R1.10 OCNCC1CCC1 0c7f906c5d119c07af5d18a3e17be827 [0,1,0,1,0,0|2,0,0]=4 2764 B8R1.10 OCNCC1CCO1 7a110527d20698bde50f934bce3d4932 [0,1,0,1,0,0|1,0,0]=3 2765 B8R1.10 OCNCC1COC1 b6ea0579e38e73b8e62c548d46a16ff0 [0,1,0,1,0,0|2,0,0]=4 2766 B8R1.10 OCNC[C@@H]1CCO1 b20041b30672ace5c27bbb9dda06cfc8 [0,1,0,1,0,0|1,0,0]=3 2767 B8R1.10 OCNC[C@H]1CCO1 fcef914adea36da0d3a6586531fd1531 [0,1,0,1,0,0|1,0,0]=3 2768 B8R1.10 SCCCN1CCC1 9eb969adee9e410d06ebfdbf71b456b3 [0,1,0,1,0,0|1,1,0]=4 2769 B8R1.10 SCCNC1CCC1 2f562baf7d7b93979ca67ee9013e4780 [0,1,0,1,0,0|1,1,0]=4 2770 B8R1.10 SCCNC1COC1 9d55a8d5ae9bcd777f3c119a345d9f60 [0,1,0,1,0,0|0,1,0]=3 2771 B8R1.10 SCCOC1COC1 8049da4b9b89f43d801afa2183455262 [0,1,0,1,0,0|1,1,0]=4 2772 B8R1.11 CC1CCCN1CO 54974954fab0e072c3e5d67d217551d6 [0,1,0,1,0,0|2,0,0]=4 2773 B8R1.11 CCN1CCCC1O 146566e537ef7a9790c7ffe7385bae77 [0,1,0,1,0,0|2,0,0]=4 2774 B8R1.11 C[C@@H]1CCCN1CO 4fcb8232d21346615f4cbb83427dc320 [0,1,0,1,0,0|2,0,0]=4 2775 B8R1.11 C[C@H]1CCCN1CO 2f61618a874473c8038742f46c63e99b [0,1,0,1,0,0|2,0,0]=4 2776 B8R1.11 OC1CCCN1CF c790b4455a65a534413a9c15340a6b8e [0,1,0,1,0,0|2,0,0]=4 2777 B8R1.11 OCN1CCCC1O 2e2202d296df0fbf3a7f469e1d91c122 [0,1,0,1,0,0|1,0,0]=3 2778 B8R1.12 CCC1CCN1CO caf0ac1fced23c53f6877050d9fa7187 [0,1,0,1,0,0|2,0,0]=4 2779 B8R1.12 CCN1CCC1CO 4a86a7023e5eed3f4bee98bf807599f5 [0,1,0,1,0,0|2,0,0]=4 2780 B8R1.12 CCN1CC[C@@H]1CO 889ccfb257cad18d8dd60c85bff286ee [0,1,0,1,0,0|2,0,0]=4 2781 B8R1.12 CCN1CC[C@H]1CO 7975cca06fafca3d5a4bc8349f95250e [0,1,0,1,0,0|2,0,0]=4 2782 B8R1.12 OCC1CCN1CF 54c9da261877e12e7953220dc99ac886 [0,1,0,1,0,0|2,0,0]=4 2783 B8R1.12 OCC1CCN1CO 6f5999e2d6210a45899e16922fbbca8c [0,1,0,1,0,0|1,0,0]=3 2784 B8R1.12 OC[C@@H]1CCN1CF 3ace3005e70dcc5f7c624bd2ca1ff323 [0,1,0,1,0,0|2,0,0]=4 2785 B8R1.12 OC[C@@H]1CCN1CO a558872b42b196932e71111ad2bff9a1 [0,1,0,1,0,0|1,0,0]=3 2786 B8R1.12 OC[C@H]1CCN1CF ad8d3d64cf5f70e33b7fd74857a35e0d [0,1,0,1,0,0|2,0,0]=4 2787 B8R1.12 OC[C@H]1CCN1CO 340168ce4e6427066968812c13eb91da [0,1,0,1,0,0|1,0,0]=3 2788 B8R1.13 CCNC1CCC1O fb70cd93332b5942b9400efe3b54dca5 [0,1,0,1,0,0|2,0,0]=4 2789 B8R1.13 CCN[C@@H]1CC[C@@H]1O a44a1131ac7553e4f969af4276e28d55 [0,1,0,1,0,0|2,0,0]=4 2790 B8R1.13 CCN[C@@H]1CC[C@H]1O 4f0278655b9d968ff2d102bbaed0b37a [0,1,0,1,0,0|2,0,0]=4 2791 B8R1.13 CCN[C@H]1CC[C@@H]1O 3bed658078592c5d2659e64ff05d8887 [0,1,0,1,0,0|2,0,0]=4 2792 B8R1.13 CCN[C@H]1CC[C@H]1O 89451e4a9e80a1548ed036e94f478963 [0,1,0,1,0,0|2,0,0]=4 2793 B8R1.13 C[C@@H]1CC[C@@H]1NCO 2960d592a0e513b93c75efb384f4f549 [0,1,0,1,0,0|2,0,0]=4 2794 B8R1.13 C[C@@H]1CC[C@H]1NCO 451b99fc958d625f841e0dfd131356c8 [0,1,0,1,0,0|2,0,0]=4 2795 B8R1.13 OC1CCC1NCF b320b59951a819bfc693c51a37952e97 [0,1,0,1,0,0|2,0,0]=4 2796 B8R1.13 OCNC1CCC1F ac2d6566e7c5b3bc373e327a47cf999c [0,1,0,1,0,0|2,0,0]=4 2797 B8R1.13 OCNC1CCC1O ee3d1ca48a3a8027104c31b638f55ef5 [0,1,0,1,0,0|1,0,0]=3 2798 B8R1.13 OCN[C@@H]1CC[C@@H]1O fc73bae007c62d0d044e9a1d9eb62eb2 [0,1,0,1,0,0|1,0,0]=3 2799 B8R1.13 OCN[C@@H]1CC[C@H]1O 06327c2896ffa6f771953b4ac9aab6b0 [0,1,0,1,0,0|1,0,0]=3 2800 B8R1.13 OCN[C@H]1CC[C@@H]1O 7e11d05646534378fc00e5b3d5382683 [0,1,0,1,0,0|1,0,0]=3 2801 B8R1.13 OCN[C@H]1CC[C@H]1O 6cb11bc302f667e46ffb6e15bc1b294f [0,1,0,1,0,0|1,0,0]=3 2802 B8R1.13 O[C@@H]1CC[C@@H]1NCF 437862ba8a6df6499db07eb305b6d757 [0,1,0,1,0,0|2,0,0]=4 2803 B8R1.13 O[C@@H]1CC[C@H]1NCF 83e31482881d268ada4c36f4b73cc8bb [0,1,0,1,0,0|2,0,0]=4 2804 B8R1.13 O[C@H]1CC[C@@H]1NCF 32b667547a5ff1b6f8a6aeb3abe14559 [0,1,0,1,0,0|2,0,0]=4 2805 B8R1.13 O[C@H]1CC[C@H]1NCF 29979674e8e1b6655ef0cde04d2ff86e [0,1,0,1,0,0|2,0,0]=4 2806 B8R1.17 CCN[C@@H]1C[C@H]1CO c991f405527e08b4abe26f3d6bd7d92e [0,1,0,1,0,0|2,0,0]=4 2807 B8R1.17 CCN[C@H]1C[C@@H]1CO d93fb9f99117a23c36b2f60e194eb48e [0,1,0,1,0,0|2,0,0]=4 2808 B8R1.17 CCN[C@H]1C[C@H]1CO f237d8ef348614af40e98559a71868ed [0,1,0,1,0,0|2,0,0]=4 2809 B8R1.17 CO[C@H]1C[C@H]1NCO 7ddd592a3e45b01591ca640a2662c329 [0,1,0,1,0,0|2,0,0]=4 2810 B8R1.17 OCN[C@@H]1C[C@H]1CO dfd1f2f4720fb386f808224509a99e79 [0,1,0,1,0,0|1,0,0]=3 2811 B8R1.17 OCN[C@H]1C[C@@H]1CO b4600a15b77b7b63fe0eb5951c7ac675 [0,1,0,1,0,0|1,0,0]=3 2812 B8R1.17 OCN[C@H]1C[C@H]1CO f5d2f40975aadac98e3309989c876b60 [0,1,0,1,0,0|1,0,0]=3 2813 B8R1.17 OC[C@@H]1C[C@@H]1NCF 71b7419e2d0069d2259b2cbda31d9782 [0,1,0,1,0,0|2,0,0]=4 2814 B8R1.17 OC[C@@H]1C[C@H]1NCF 5322e39e84824b63d0219ad41257c201 [0,1,0,1,0,0|2,0,0]=4 2815 B8R1.17 OC[C@H]1C[C@@H]1NCF b78b807e5ee5859e1e9b98795078a748 [0,1,0,1,0,0|2,0,0]=4 2816 B8R1.36 BrCCNCC1CC1 c331883059e548cf448209226b9934fc [0,1,0,1,0,0|2,0,0]=4 2817 B8R1.36 C#CCCNC1CC1 9fc1afc6cd4c6af1a9f063cb3487a34f [0,1,0,1,0,0|2,0,0]=4 2818 B8R1.36 C=CCCNC1CC1 b8af55f20970d1f1dc53b7e019b02470 [0,1,0,1,0,0|2,0,0]=4 2819 B8R1.36 CCCCNC1CC1 764bf1f8d84e4797d549516a157f8bac [0,1,0,1,0,0|2,0,0]=4 2820 B8R1.36 CCCNCC1CC1 f3b3545bffc9f73f028676bee3a097f9 [0,1,0,1,0,0|2,0,0]=4 2821 B8R1.36 CCOCNC1CC1 299c45bda3118c3807c19afa9d974d2a [0,1,0,1,0,0|2,0,0]=4 2822 B8R1.36 COCCNC1CC1 c729e1cfce019cc13b46a8e9bfa7aec8 [0,1,0,1,0,0|1,0,0]=3 2823 B8R1.36 COCCOC1CC1 bd93b00ba0625a0a13902f72530e30b8 [0,1,0,1,0,0|2,0,0]=4 2824 B8R1.36 CSCCNC1CC1 15d6cc02cb27e4637b8a7b18bce36a80 [0,1,0,1,0,0|1,1,0]=4 2825 B8R1.36 ClCCCNC1CC1 fcdebdf08b4bbef8702139d487bccf3c [0,1,0,1,0,0|2,0,0]=4 2826 B8R1.36 FCCCNC1CC1 4329b3a22c74fcf1c83456d06be8011d [0,1,0,1,0,0|2,0,0]=4 2827 B8R1.36 FCCNCC1CC1 1888b06dced729cdb9c58bb39d973ecb [0,1,0,1,0,0|2,0,0]=4 2828 B8R1.36 ICCNCC1CC1 aa781e34336a301ce6c4ab090308fa1f [0,1,0,1,0,0|2,0,0]=4 2829 B8R1.36 N#CCCNC1CC1 15ddb4a419d17956e14184c509c585c9 [0,1,0,1,0,0|2,0,0]=4 2830 B8R1.36 NOCCNC1CC1 9f8c2a121e0873d0e9dfff394ed4332a [0,1,0,1,0,0|1,0,0]=3 2831 B8R1.36 O/C=C\CNC1CC1 89145433290f5d59d8cbbbc67a33f3c7 [0,1,0,1,0,0|1,0,1]=4 2832 B8R1.36 O=CCCNC1CC1 f4d8039ccf048cb8f4199c1b08351d63 [0,1,0,1,0,0|1,0,1]=4 2833 B8R1.36 OCCCNC1CC1 09931d07909b5768c57fdc7cacffbc09 [0,1,0,1,0,0|1,0,0]=3 2834 B8R1.36 OCCNCC1CC1 e183fb3059537384ed4e22fe2e99ba8b [0,1,0,1,0,0|1,0,0]=3 2835 B8R1.36 OCNCCC1CC1 9ac5f3dcb18a653ec6a09bfee9d0670c [0,1,0,1,0,0|2,0,0]=4 2836 B8R1.36 SCCCNC1CC1 ac16d26ee266b0421f9c1ad8179c0c06 [0,1,0,1,0,0|1,1,0]=4 2837 B8R1.36 SCCNCC1CC1 5c0dd7dc74392e335e49dbe45b5c2923 [0,1,0,1,0,0|1,1,0]=4 2838 B8R1.1 OCN1CCC(C1)O 9bea44962414eb08c5c787d7845d9e4f [0,1,0,1,0,0|2,0,0]=4 2839 B8R1.1 OCN1CC[C@@H](C1)O 8cff2485084eb573b880545a5c7bb462 [0,1,0,1,0,0|2,0,0]=4 2840 B8R1.1 OCN1CC[C@H](C1)O 9a83745859226945baeca6641c8f0bfc [0,1,0,1,0,0|2,0,0]=4 2841 B8R1.38 CC(CO)N1CCC1 17406c9203d8e72d48f6ddab3efe5d12 [0,1,0,1,0,0|1,0,0]=3 2842 B8R1.38 CCC(C)N1CCC1 873a1405e2e4da9ba44f1206f60c75eb [0,1,0,1,0,0|2,0,0]=4 2843 B8R1.38 C[C@@H](CO)N1CCC1 a5183cd4689b71df517e19607edfa1f6 [0,1,0,1,0,0|1,0,0]=3 2844 B8R1.38 C[C@H](CO)N1CCC1 1eed403494a16ee2f239b1a58a50fdd6 [0,1,0,1,0,0|1,0,0]=3 2845 B8R1.38 O=C(CO)N1CCC1 14506b695520a8256189bb97564c8706 [0,1,0,1,0,0|1,0,1]=4 2846 B8R1.40 CC(CO)NC1CC1 f6311cf67b6ba2204bab0dbb44a50bbc [0,1,0,1,0,0|1,0,0]=3 2847 B8R1.40 CCC(C)NC1CC1 94875b9551eba0e9bd26195acf68922b [0,1,0,1,0,0|2,0,0]=4 2848 B8R1.40 CC[C@@H](C)NC1CC1 410d7c870d4447260edc03bb5a83de89 [0,1,0,1,0,0|2,0,0]=4 2849 B8R1.40 CC[C@H](C)NC1CC1 ebb7f6954df91dc6276951b58ca4e4c7 [0,1,0,1,0,0|2,0,0]=4 2850 B8R1.40 C[C@@H](CO)NC1CC1 7e427586366729fe4f61e71114561a17 [0,1,0,1,0,0|1,0,0]=3 2851 B8R1.40 C[C@H](CO)NC1CC1 3cceec23b2cf4de9d69e8ea47c15666a [0,1,0,1,0,0|1,0,0]=3 2852 B8R1.40 O=C(CO)NC1CC1 bb096758b55cfb0505bd2d10961bc923 [0,1,0,1,0,0|1,0,1]=4 2853 B8R1.41 CC1(CC1)NCCF 80ac93236da856b1acb5ec9330f9d937 [0,1,0,1,0,0|2,0,0]=4 2854 B8R1.41 CC1(CC1)NCCO 89f12072d3eaefb89baf0608eaf9d663 [0,1,0,1,0,0|1,0,0]=3 2855 B8R1.41 CC1(CC1)NCCS baf4ff3c0a2f40c10030406656d407ca [0,1,0,1,0,0|1,1,0]=4 2856 B8R1.41 CCCNC1(CC1)C bc8a7f6a518459411dffbe8949d7bcc9 [0,1,0,1,0,0|2,0,0]=4 2857 B8R1.47 OCC1CN(C1)CO 21c0840f5d32f84468f927b24fcd4f83 [0,1,0,1,0,0|2,0,0]=4 2858 B8R1.6 C#CCN1CC(C1)O 1a59f10b2876e35a6225280ad6a6b6b2 [0,1,0,1,0,0|1,0,1]=4 2859 B8R1.6 C=CCN1CC(C1)O 29139962101e2bd50abc9983e35d9d8d [0,1,0,1,0,0|1,0,1]=4 2860 B8R1.6 CCCN1CC(C1)F a784fd033c1a2e6388f75c1ee38e00f2 [0,1,0,1,0,0|2,0,0]=4 2861 B8R1.6 CCCN1CC(C1)O 6960d1c76fc6bee2104d2cc7da6d53cb [0,1,0,1,0,0|1,0,0]=3 2862 B8R1.6 COCN1CC(C1)O 870d483689386ea7b8d72faa86d0b820 [0,1,0,1,0,0|2,0,0]=4 2863 B8R1.6 CSCN1CC(C1)O 34910bc94db571d51ff7a8f74ad40fc5 [0,1,0,1,0,0|2,0,0]=4 2864 B8R1.6 FC1CN(C1)CCS 2ba543b3707be09f2c950e134a5acf07 [0,1,0,1,0,0|1,1,0]=4 2865 B8R1.6 FCCN1CC(C1)F a2f78bc61d424890e4cfed28d0da7b89 [0,1,0,1,0,0|2,0,0]=4 2866 B8R1.6 N#CCN1CC(C1)O 43873f49f32ec070d8e878ece405762a [0,1,0,1,0,0|1,0,1]=4 2867 B8R1.6 O=CCN1CC(C1)O 05c491e4c8809ba1f982b958ba6277d0 [0,1,0,1,0,0|0,0,2]=4 2868 B8R1.6 OC1CN(C1)CCF 43d4c83cb2213e97e69be0bf43180041 [0,1,0,1,0,0|1,0,0]=3 2869 B8R1.6 OC1CN(C1)CCS 5c12169658ded77f73847cfcf506bccd [0,1,0,1,0,0|0,1,0]=3 2870 B8R1.6 OCCN1CC(C1)F d55063a3076749ca64ae7b6aacb275a7 [0,1,0,1,0,0|1,0,0]=3 2871 B8R1.6 OCCN1CC(C1)O 7988eb128069a838027fb79c231cc8f2 [0,1,0,1,0,0|0,0,0]=2 2872 B8R1.6 OCNC1CC(C1)O af58669ac51974a0a52e4df9402bf0e6 [0,1,0,1,0,0|2,0,0]=4 2873 B8R1.6 OCN[C@H]1C[C@@H](C1)O ee70df5d495ddbd6db837e3b423935f9 [0,1,0,1,0,0|2,0,0]=4 2874 B8R1.6 OCN[C@H]1C[C@H](C1)O 09c3bfb886303c215965bdd8bd917305 [0,1,0,1,0,0|2,0,0]=4 2875 B8R1.27 CC1(CN1CCF)C 39ff557401f7733eafb75a230df0f29b [0,1,0,1,0,0|2,0,0]=4 2876 B8R1.27 CC1(CN1CCO)C 617d1ee8716018a9f67b571bc1788b25 [0,1,0,1,0,0|1,0,0]=3 2877 B8R1.27 CC1(CN1CCS)C 6eec07f936d916842cb1124b7b0f0edb [0,1,0,1,0,0|1,1,0]=4 2878 B8R1.27 CCCN1CC1(C)C 4e35148f04535705cb58387d435756a0 [0,1,0,1,0,0|2,0,0]=4 2879 B8R1.34 CC(C)CN1CCC1 5cd648faa02f9a3a3e7088ca07d904cb [0,1,0,1,0,0|2,0,0]=4 2880 B8R1.34 CC(O)CN1CCC1 c968b76b6db8bde6dbcca9aa6b0299d6 [0,1,0,1,0,0|1,0,0]=3 2881 B8R1.34 C[C@@H](O)CN1CCC1 b5f2cf9878abeb4a8a834874c79174e7 [0,1,0,1,0,0|1,0,0]=3 2882 B8R1.34 C[C@H](O)CN1CCC1 199f11a3ece69c3aaaa8b0f1f376d79b [0,1,0,1,0,0|1,0,0]=3 2883 B8R1.34 FC(F)CN1CCC1 d07711749c4b0c9432b68058d4127103 [0,1,0,1,0,0|2,0,0]=4 2884 B8R1.34 O=C(O)CN1CCC1 ae8e836e7c2a4bf3a61b53e9068f6f2f [0,1,0,1,0,0|1,0,1]=4 2885 B8R1.35 CC(C)CNC1CC1 4df87d6ed0ac7641c5508129a6296c0d [0,1,0,1,0,0|2,0,0]=4 2886 B8R1.35 CC(O)CNC1CC1 b9f250bd72bb55f49d088ac67e0cb3d1 [0,1,0,1,0,0|1,0,0]=3 2887 B8R1.35 C[C@@H](O)CNC1CC1 d465ff1ec8c8ef18904ed72be45bd6db [0,1,0,1,0,0|1,0,0]=3 2888 B8R1.35 C[C@H](O)CNC1CC1 689794ac138a6a9d1241373cb177f81d [0,1,0,1,0,0|1,0,0]=3 2889 B8R1.35 FC(F)CNC1CC1 6cc0ef0cefaef34f220b2b0340484681 [0,1,0,1,0,0|2,0,0]=4 2890 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,1,0,1,0,0|1,0,1]=4 2891 B8R1.37 CCCN(C)C1CC1 a74d24dd9139700310f848728ff8f1ee [0,1,0,1,0,0|2,0,0]=4 2892 B8R1.37 CN(CCF)C1CC1 8e1a9aa788951abb1c8a01406d05e024 [0,1,0,1,0,0|2,0,0]=4 2893 B8R1.37 CN(CCO)C1CC1 80457e02321af0fbdb8d8ff6f9046346 [0,1,0,1,0,0|1,0,0]=3 2894 B8R1.37 CN(CCS)C1CC1 340ce15502d8807341f9362fff7ceb48 [0,1,0,1,0,0|1,1,0]=4 2895 B8R2.1 C1CN(C1)C2CC2 2b7226a815b2746e13976fa6395733ff [0,0,0,2,0,0|2,0,0]=4 2896 B8R2.24 C1CC1NC2CC2 a84b66ce8337865aad93239b2421e69c [0,0,0,2,0,0|2,0,0]=4