0 B7R0.1 C#CCCCNCC 992d0e050b511d203d57e0da48d3e40a [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 C#CCCNCCC 985891a1be5b6df9332ec92fc8ba9705 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 C#CCNCCCC 2174997efa32a525ba69ce874ecd5c71 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 C#CCOCCCC ed4cfee8b145d86b8dc8812185cb69d7 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.1 C=C=CCCOCC 2fb6478edb447db1fe191c89327c683f [0,0,0,0,0,0|3,0,0]=3 12 B7R0.1 C=C=CCCOCF 73ed8bb3c12c52107642e3d2d32be010 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,0,0,0,0,0|3,0,1]=4 15 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,0,0,0,0,0|3,0,1]=4 17 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,0,0,0,0,0|3,0,1]=4 18 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.1 C=COCCNCC e376510fa630867a53db8435ac1e7531 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.1 C=COCCOCC d9229c17186e0b503ee0d758327ee4d9 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.1 CC#CCCOCC 57277b2d6042ec0ef25dc33b854150f3 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.1 CC#CCNCCC 4b414b3d9a07af6bbc361621c1ca05f6 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.1 CC#CCOCCC 96b5db71ecc94b22411d45119de902db [0,0,0,0,0,0|3,0,1]=4 24 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.1 CCCCCNC#N 3741c8bad86bab083bc5d0a30e6bddc8 [0,0,0,0,0,0|1,0,2]=3 27 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [0,0,0,0,0,0|0,1,2]=3 28 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [0,0,0,0,0,0|1,0,2]=3 29 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [0,0,0,0,0,0|1,0,2]=3 30 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [0,0,0,0,0,0|0,1,2]=3 31 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [0,0,0,0,0,0|2,0,1]=3 33 B7R0.1 CCCCNCC#N 076f54c0f29c99fe6d3ed9b29d359907 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,0,0,0,0,0|2,1,1]=4 35 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [0,0,0,0,0,0|2,1,1]=4 40 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [0,0,0,0,0,0|2,0,2]=4 41 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [0,0,0,0,0,0|4,0,0]=4 42 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.1 CCCCOCC#N dc85f7fa683b49a24bf8a0a97aaed99b [0,0,0,0,0,0|3,0,1]=4 44 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [0,0,0,0,0,0|2,1,1]=4 45 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [0,0,0,0,0,0|3,0,1]=4 46 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [0,0,0,0,0,0|2,0,2]=4 48 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [0,0,0,0,0,0|4,0,0]=4 49 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,0,0,0,0,0|2,1,1]=4 53 B7R0.1 CCCNCCC#N e1599a2501e5939a529641f13b21e273 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,0,0,0,0,0|2,1,1]=4 55 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [0,0,0,0,0,0|3,0,1]=4 56 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [0,0,0,0,0,0|3,0,1]=4 57 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [0,0,0,0,0,0|2,1,1]=4 58 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [0,0,0,0,0,0|2,0,2]=4 59 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [0,0,0,0,0,0|4,0,0]=4 60 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [0,0,0,0,0,0|4,0,0]=4 61 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [0,0,0,0,0,0|4,0,0]=4 62 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.1 CCCNCSC#N 13544467129ba8b8d400327b8930a043 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [0,0,0,0,0,0|3,0,1]=4 65 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [0,0,0,0,0,0|3,0,1]=4 66 B7R0.1 CCCOCC#CI b3fbe418429aadfd38d92dd1bfb760b4 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [0,0,0,0,0,0|3,0,1]=4 69 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,0,0,0,0,0|2,1,1]=4 70 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [0,0,0,0,0,0|2,0,2]=4 72 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [0,0,0,0,0,0|4,0,0]=4 73 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [0,0,0,0,0,0|4,0,0]=4 74 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [0,0,0,0,0,0|3,0,1]=4 75 B7R0.1 CCCOCSC#N 8be972fdc3f8d6a5b275bb3b76884793 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.1 CCNCCCC#N 3005d7a991c7154c0fa03cc1d0341956 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [0,0,0,0,0,0|2,0,2]=4 78 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [0,0,0,0,0,0|2,0,2]=4 79 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [0,0,0,0,0,0|2,0,2]=4 80 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [0,0,0,0,0,0|2,0,2]=4 81 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [0,0,0,0,0,0|2,0,2]=4 82 B7R0.1 CCNCCOCC e33ba910d026a1283fba761527911515 [0,0,0,0,0,0|2,0,2]=4 83 B7R0.1 CCNCCSCC edb2f0059a33d413061b7eb66b7302b3 [0,0,0,0,0,0|2,0,2]=4 84 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [0,0,0,0,0,0|3,0,1]=4 85 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,0,0,0,0,0|2,1,1]=4 86 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [0,0,0,0,0,0|3,0,1]=4 87 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [0,0,0,0,0,0|2,0,2]=4 88 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [0,0,0,0,0,0|3,0,1]=4 89 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [0,0,0,0,0,0|3,0,1]=4 90 B7R0.1 CCOCCNC#N b1f1ec03337395c259b4adad9fada2ca [0,0,0,0,0,0|2,0,2]=4 91 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [0,0,0,0,0,0|1,1,2]=4 92 B7R0.1 CCOCCNCF 192b9172bb386f67e6f22749157a2b40 [0,0,0,0,0,0|2,0,2]=4 93 B7R0.1 CCOCCNCO e2eefbd861380598dec880b760814d85 [0,0,0,0,0,0|1,1,2]=4 94 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [0,0,0,0,0,0|2,1,1]=4 95 B7R0.1 CCOCCOCC 0e67836f7951e4d542cdaecda70d9cec [0,0,0,0,0,0|3,0,1]=4 96 B7R0.1 CCOCCOCF 480e61a3f34351f7f6b3989331094335 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [0,0,0,0,0,0|3,0,1]=4 98 B7R0.1 CCSCCNC#N 146f8420c51eba76d3764a00770c7215 [0,0,0,0,0,0|2,0,2]=4 99 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [0,0,0,0,0,0|1,1,2]=4 100 B7R0.1 CCSCCNCF 1cb006aeda44e1ad18efcb0d926eca75 [0,0,0,0,0,0|2,0,2]=4 101 B7R0.1 CCSCCNCO d46776a8ac8e806badbf181dbecaf11f [0,0,0,0,0,0|1,1,2]=4 102 B7R0.1 CCSCCOCF 1f42e8881d9b6b5eaf1c6a145775650a [0,0,0,0,0,0|3,0,1]=4 103 B7R0.1 COCCCNC#N 0f6144afc64c8968181a8d95a7f06e48 [0,0,0,0,0,0|2,0,2]=4 104 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [0,0,0,0,0,0|1,1,2]=4 105 B7R0.1 COCCCNCF 0de913c50fcf952c40c1eb9acd73fe8a [0,0,0,0,0,0|2,0,2]=4 106 B7R0.1 COCCCNCO 7f15d3e78e16ebdbf4dea7c28747923f [0,0,0,0,0,0|1,1,2]=4 107 B7R0.1 COCCCOCF 383f82bc810c552636ded41a86a82688 [0,0,0,0,0,0|3,0,1]=4 108 B7R0.1 CSCCCNC#N 29e7c3d9663c361da4f524d97528f957 [0,0,0,0,0,0|2,0,2]=4 109 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [0,0,0,0,0,0|1,1,2]=4 110 B7R0.1 CSCCCNCF 64d1184992451aa1884493fe4b590a70 [0,0,0,0,0,0|2,0,2]=4 111 B7R0.1 CSCCCNCO 0e35ff7cab5ce9b5f1fe3019d22ea16e [0,0,0,0,0,0|1,1,2]=4 112 B7R0.1 CSCCCOCF cac4a2023f18fecfef532a4dd1cfe7d1 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.1 FCCCCOCF aa349be2c27536d4cce8f169856f8ad3 [0,0,0,0,0,0|3,0,1]=4 114 B7R0.1 FCNCCCCCl 1f62d148cf28827af64f05ab47d8a0d1 [0,0,0,0,0,0|2,0,2]=4 115 B7R0.1 FCNCCCCS 20de7e7c5ad02c9ab73f0feca6604233 [0,0,0,0,0,0|2,0,2]=4 116 B7R0.1 FCOCCCCS 2a152d1f18d97aad9e2418d39187145d [0,0,0,0,0,0|3,0,1]=4 117 B7R0.1 N#CNCCCCF 293aa64c3e1b35abd5e5acc5aa0ddc2f [0,0,0,0,0,0|2,0,2]=4 118 B7R0.1 N#CNCCCCO 5d8d2e101890ae37736cc18e998548c9 [0,0,0,0,0,0|2,0,2]=4 119 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [0,0,0,0,0,0|1,1,2]=4 120 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [0,0,0,0,0,0|1,1,2]=4 121 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [0,0,0,0,0,0|1,1,2]=4 122 B7R0.1 OCCCCNCF 7e26da81cb202e81f9fa6935013ff164 [0,0,0,0,0,0|2,0,2]=4 123 B7R0.1 OCCCCNCO 3308a62177334006d69e4e812a481bb1 [0,0,0,0,0,0|1,1,2]=4 124 B7R0.1 OCNCCCCCl ca8e2c827cdc1f4b61ee0f17daccc9f0 [0,0,0,0,0,0|1,1,2]=4 125 B7R0.1 OCNCCCCS 703d007b8ef355c907943572af1839f8 [0,0,0,0,0,0|1,1,2]=4 126 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [1,0,0,0,0,0|2,0,1]=4 130 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,0,0,0,0,0|2,0,1]=4 131 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,0,0,0,0,0|2,0,1]=4 132 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.6 CCCCNC#N 2fcfe24b87d3fb74c30aadce76da6bba [1,0,0,0,0,0|1,0,2]=4 135 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,0,0,0,0,0|0,1,2]=4 136 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,0,0,0,0,0|1,0,2]=4 137 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [1,0,0,0,0,0|1,0,2]=4 138 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [1,0,0,0,0,0|0,1,2]=4 139 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,0,0,0,0,0|2,0,1]=4 140 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,0,0,0,0,0|1,1,1]=4 143 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [1,0,0,0,0,0|2,0,1]=4 144 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [1,0,0,0,0,0|1,1,1]=4 148 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [1,0,0,0,0,0|1,0,2]=4 149 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [1,0,0,0,0,0|2,0,1]=4 150 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [1,0,0,0,0,0|2,0,1]=4 152 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,0,0,0,0,0|1,1,1]=4 153 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [1,0,0,0,0,0|2,0,1]=4 154 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [1,0,0,0,0,0|1,0,2]=4 156 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [1,0,0,0,0,0|2,0,1]=4 158 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [1,0,0,0,0,0|1,1,1]=4 161 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,0,0,0,0,0|1,1,1]=4 166 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [1,0,0,0,0,0|2,0,1]=4 167 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [1,0,0,0,0,0|1,0,2]=4 168 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [1,0,0,0,0,0|2,0,1]=4 169 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,0,0,0,0,0|2,0,1]=4 170 B8R0.1 CCCC(C)CNC#N c3be8e8d2214c40f927f4d3b04c074a9 [0,1,0,0,0,0|1,0,2]=4 171 B8R0.1 CCCC(C)COCC 93903632c96b35063d92ad4a88f1870f [0,1,0,0,0,0|2,0,1]=4 172 B8R0.1 CCCC(C)COCF 93c3ddfe52dd775edf5ae50e46d5413c [0,1,0,0,0,0|2,0,1]=4 173 B8R0.1 CCCC(O)CNC=O 3e50ed85c9c916875e196c40b2fc51de [0,1,0,0,0,0|0,1,2]=4 174 B8R0.1 CCCC(O)CNCC 832780b22c4621b899b7afcc4f4f0de1 [0,1,0,0,0,0|1,0,2]=4 175 B8R0.1 CCCC(O)CNCF 9e922850e385a2cbcd148cdd0ed96f6f [0,1,0,0,0,0|1,0,2]=4 176 B8R0.1 CCCC(O)CNCO 64eda460853947fa76aaab0ea9fa11c8 [0,1,0,0,0,0|0,1,2]=4 177 B8R0.1 CCCCC(C)NC#N 784eb56f230698d9aa3d1010255fd9a5 [0,1,0,0,0,0|1,0,2]=4 178 B8R0.1 CCCCC(C)NC=O 203907a44368850c8dee59ecad001a1f [0,1,0,0,0,0|0,1,2]=4 179 B8R0.1 CCCCC(C)NCC 4583005e506d2176e59cdaa84e6525c6 [0,1,0,0,0,0|1,0,2]=4 180 B8R0.1 CCCCC(C)NCF db34d3f788f978f6333b2ef84533bba3 [0,1,0,0,0,0|1,0,2]=4 181 B8R0.1 CCCCC(C)NCO 6228ac303b59f75d40554a9ce17c3ee3 [0,1,0,0,0,0|0,1,2]=4 182 B8R0.1 CCCCC(C)OCC e43df0ae121ab44cb6194c6546aa1e41 [0,1,0,0,0,0|2,0,1]=4 183 B8R0.1 CCCCC(C)OCF 8f64235a04b7426a52761157f7a2f136 [0,1,0,0,0,0|2,0,1]=4 184 B8R0.1 CCCC[C@@H](C)NC=O 85ae0f7eb97c9ecc6858b3133cc13253 [0,1,0,0,0,0|0,1,2]=4 185 B8R0.1 CCCC[C@@H](C)NCC c18bfbe49afa779f9ec8f1e0c1e03df7 [0,1,0,0,0,0|1,0,2]=4 186 B8R0.1 CCCC[C@@H](C)NCF 370b9a3d7cbc257e234752372becfe14 [0,1,0,0,0,0|1,0,2]=4 187 B8R0.1 CCCC[C@@H](C)NCO 4bc87525a9489fa57f5a33fe4ddc5813 [0,1,0,0,0,0|0,1,2]=4 188 B8R0.1 CCCC[C@@H](C)OCC d38acbfc54d47c4bbd565f1b434e5e73 [0,1,0,0,0,0|2,0,1]=4 189 B8R0.1 CCCC[C@@H](C)OCF ff66df83640c2dbad9e8ec8dcc4cafcc [0,1,0,0,0,0|2,0,1]=4 190 B8R0.1 CCCC[C@H](C)OCC f8165a8926a10ebcbdb8675cf31f0cb1 [0,1,0,0,0,0|2,0,1]=4 191 B8R0.1 CCCC[C@H](C)OCF e55dba0a966d7f5aa8a47328924d9297 [0,1,0,0,0,0|2,0,1]=4 192 B8R0.4 C#CCCCCNCC 3fcf9ac93459248fb13bcf29c085c540 [0,1,0,0,0,0|2,0,1]=4 193 B8R0.4 C#CCCCCOCC 289e2b02f0139725ae39a923782166d5 [0,1,0,0,0,0|2,0,1]=4 194 B8R0.4 C#CCCCNCCC 5741edfb5fc37a0fd94ab80872f199ae [0,1,0,0,0,0|2,0,1]=4 195 B8R0.4 C#CCCCOCCC f6e548e043c266c18f3f2bc45e2b26e7 [0,1,0,0,0,0|2,0,1]=4 196 B8R0.4 C#CCCNCCCC d822834a6bb9f412f2c9985f130cc8f3 [0,1,0,0,0,0|2,0,1]=4 197 B8R0.4 C#CCCOCCCC 85c008a45b6353cea119cc5cda149ac2 [0,1,0,0,0,0|2,0,1]=4 198 B8R0.4 C#CCNCCCCC 6449ee4961bcec0a8b702070fb728670 [0,1,0,0,0,0|1,0,2]=4 199 B8R0.4 C#CCOCCCCC b060b391600b8a6b8af1e059657888e9 [0,1,0,0,0,0|2,0,1]=4 200 B8R0.4 C/C=C/CCCOCC 29e30394c7c806aedb2c26dcf7eb5a9a [0,1,0,0,0,0|2,0,1]=4 201 B8R0.4 C/C=C/CCOCCC f366940c9b8e42845e1a3a54e7e58d66 [0,1,0,0,0,0|2,0,1]=4 202 B8R0.4 C/C=C/CNCCCC ce13f55ef8680a347af127fe05187ac2 [0,1,0,0,0,0|2,0,1]=4 203 B8R0.4 C/C=C/COCCCC 386b5fceec7ebb1bc8f3283962203eeb [0,1,0,0,0,0|2,0,1]=4 204 B8R0.4 C/C=C\CCCOCC 4d6755ca0163dc89f5ab91481d285f2d [0,1,0,0,0,0|2,0,1]=4 205 B8R0.4 C/C=C\CNCCCC b9e7ddbf697616b15bea928cc6394f2f [0,1,0,0,0,0|2,0,1]=4 206 B8R0.4 C/C=C\COCCCC c8285cb0cc053e0461398a5e6fb02665 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.4 C=C=CCCOCCC 9ed5c65e92b9c5d3410261fc24bf2400 [0,1,0,0,0,0|2,0,0]=3 208 B8R0.4 C=C=CCCOCCF f40e7017906a65586f65aa56e6d85ac0 [0,1,0,0,0,0|3,0,0]=4 209 B8R0.4 C=C=CCCOCCS 723ca99ff484a460d7bc5e5895255b76 [0,1,0,0,0,0|3,0,0]=4 210 B8R0.4 C=C=CCCOCOC e24b81246032baf9568f4ee87007f7e8 [0,1,0,0,0,0|3,0,0]=4 211 B8R0.4 C=C=CCCOCSC c4ece8fa09205945e5a934f8cda688d9 [0,1,0,0,0,0|3,0,0]=4 212 B8R0.4 C=CCCCCNCC cad9e93d76afc8b0fa381258c4e7ac39 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.4 C=CCCCCOCC 60183f731400a1b7f9d49b3e8c9e971a [0,1,0,0,0,0|2,0,1]=4 214 B8R0.4 C=CCCCNCCC ed9f94bd82f276e8a415d35039c9b633 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.4 C=CCCCOCCC 5f646296a8d9f451f6f7524888b9f8ed [0,1,0,0,0,0|2,0,1]=4 216 B8R0.4 C=CCCNCCCC bba294da38688174bb39fbd588941b97 [0,1,0,0,0,0|2,0,1]=4 217 B8R0.4 C=CCCOCCCC 97ba8da216ed199156e3ec05890dcca1 [0,1,0,0,0,0|2,0,1]=4 218 B8R0.4 C=CCNCCCCC 011aacf19cd9f1faf70789f3f05aca79 [0,1,0,0,0,0|1,0,2]=4 219 B8R0.4 C=CCOCCCCC fcddc90e6084facec8d1d12eaaa08ee7 [0,1,0,0,0,0|2,0,1]=4 220 B8R0.4 C=COCCCNCC d89071dcdb3acfadefaa437a059ee19e [0,1,0,0,0,0|2,0,1]=4 221 B8R0.4 C=COCCNCCC 28cdbba6a7c35ff41b7005cb4f953384 [0,1,0,0,0,0|2,0,1]=4 222 B8R0.4 C=COCCOCCC d3d0232a519269e090de053aa19caca6 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.4 CC#CCCCOCC 05ec48180aea60ed674503bef15a5f38 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.4 CC#CCCOCCC 387cb960b2fced33dd26ab6a4fb5ee8c [0,1,0,0,0,0|2,0,1]=4 225 B8R0.4 CC#CCNCCCC 92172ffefbb6c9e292f504492bf5dd32 [0,1,0,0,0,0|2,0,1]=4 226 B8R0.4 CC#CCOCCCC 7f94de9642ccae29ed5e6282618d3bd1 [0,1,0,0,0,0|2,0,1]=4 227 B8R0.4 CC=C=CCCOCC 6bee7d8955b0da11354efc3ae62c1cea [0,1,0,0,0,0|3,0,0]=4 228 B8R0.4 CC=CCCCOCC 5c3740efae5691bcaf9a76740bada28e [0,1,0,0,0,0|2,0,1]=4 229 B8R0.4 CC=CCNCCCC 6c09d356389ec0afd4d9be0c8efbc370 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.4 CC=CCOCCCC 071b2f24d4974b0b4fcd0a0845303916 [0,1,0,0,0,0|2,0,1]=4 231 B8R0.4 CCCCCCNC#N bb02e52ec524ebcb56f04e4bf9b34243 [0,1,0,0,0,0|1,0,2]=4 232 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [0,1,0,0,0,0|0,1,2]=4 233 B8R0.4 CCCCCCNCC 007e02c518c21b960782cd7d67a6f9d7 [0,1,0,0,0,0|1,0,2]=4 234 B8R0.4 CCCCCCNCF fcc33172a41ee2d3e601afc70a912863 [0,1,0,0,0,0|1,0,2]=4 235 B8R0.4 CCCCCCNCO fee4d07ce0e7c74e0c9bf65bf9405250 [0,1,0,0,0,0|0,1,2]=4 236 B8R0.4 CCCCCCOCC 9345e14939c0037a8cd7124fa95af69b [0,1,0,0,0,0|2,0,1]=4 237 B8R0.4 CCCCCCOCF 5545a0a4abb65fe9a326f72bb8454219 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.4 CCCCCNCC#N 0c9f40f537b6e3cc81cf454315cbd283 [0,1,0,0,0,0|1,0,2]=4 239 B8R0.4 CCCCCNCC=O 8ada82f0f40b5a52493af2d9d7bdb07d [0,1,0,0,0,0|0,1,2]=4 240 B8R0.4 CCCCCNCCBr 089f5434d612eac8e3264fb2af68de09 [0,1,0,0,0,0|1,0,2]=4 241 B8R0.4 CCCCCNCCC e1899f21e9e3263889e806dca2898495 [0,1,0,0,0,0|1,0,2]=4 242 B8R0.4 CCCCCNCCF 08736e9d031b962149008af4dbbae1ec [0,1,0,0,0,0|1,0,2]=4 243 B8R0.4 CCCCCNCCI 451535c8d9a592fc4903d9a80bb5e070 [0,1,0,0,0,0|1,0,2]=4 244 B8R0.4 CCCCCNCCO f9b71f37f65a5dd4fd3f51e1e821c5a0 [0,1,0,0,0,0|0,1,2]=4 245 B8R0.4 CCCCCNCCS 8d24f5c417bfd50b34a0c81d07c624ad [0,1,0,0,0,0|0,0,3]=4 246 B8R0.4 CCCCCNCOC 39758a02c0fddd5394c0093195bca6be [0,1,0,0,0,0|0,1,2]=4 247 B8R0.4 CCCCCNCSC a12f2c65341920caab6c80b675bb648f [0,1,0,0,0,0|0,0,3]=4 248 B8R0.4 CCCCCOCC#N 000a9d63180c20d434c83376e668a582 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [0,1,0,0,0,0|1,1,1]=4 250 B8R0.4 CCCCCOCCC c08adbc8512009f4d669d9cfc0c3fe67 [0,1,0,0,0,0|2,0,1]=4 251 B8R0.4 CCCCCOCCF b565148eef0c482ff0e6a7dc3e323e46 [0,1,0,0,0,0|2,0,1]=4 252 B8R0.4 CCCCCOCCS c4cd0a419631483dc8c725004b7f7323 [0,1,0,0,0,0|1,0,2]=4 253 B8R0.4 CCCCCOCOC b5b3100512c55f3430f83e20b695c569 [0,1,0,0,0,0|1,1,1]=4 254 B8R0.4 CCCCCOCSC a7f8dc7f97f2742c2c3f78a6bcb15d4b [0,1,0,0,0,0|1,0,2]=4 255 B8R0.4 CCCCNC/C=C/Cl aefc90227738a0a04d85ff4e3fb94a96 [0,1,0,0,0,0|2,0,1]=4 256 B8R0.4 CCCCNC/C=C\Cl 95b879f76fb0ff759a3b6bfdbdb337b9 [0,1,0,0,0,0|2,0,1]=4 257 B8R0.4 CCCCNC/C=C\O 030dd5950e83ae29a206c0c1dbd703ac [0,1,0,0,0,0|1,1,1]=4 258 B8R0.4 CCCCNCCC#N 21edaa6d14ae0b8b41d896f5ebbcc463 [0,1,0,0,0,0|2,0,1]=4 259 B8R0.4 CCCCNCCC=O cc5d699181445c3bad4f64b752b1821b [0,1,0,0,0,0|1,1,1]=4 260 B8R0.4 CCCCNCCCC 83f5cde9216aaf13647a8beda79dab35 [0,1,0,0,0,0|2,0,1]=4 261 B8R0.4 CCCCNCCCCl 0f00c3c3f44f250cab48b92e5412d8a7 [0,1,0,0,0,0|2,0,1]=4 262 B8R0.4 CCCCNCCCF c8a2e79bdb0d1cc8343903c43e081085 [0,1,0,0,0,0|2,0,1]=4 263 B8R0.4 CCCCNCCCO 49b3fdf08e01f17758987c7a7e8bba30 [0,1,0,0,0,0|1,1,1]=4 264 B8R0.4 CCCCNCCCS ebec18e8f39c6ffc0f0fe747a0704631 [0,1,0,0,0,0|1,0,2]=4 265 B8R0.4 CCCCNCCOC e55b55af56c3c637798ec9c85f7b8020 [0,1,0,0,0,0|3,0,0]=4 266 B8R0.4 CCCCNCCON dd65b96d468031dc7885056626818eac [0,1,0,0,0,0|3,0,0]=4 267 B8R0.4 CCCCNCCSC 59b636301e9a63ee9269f9fefc2f0cbb [0,1,0,0,0,0|3,0,0]=4 268 B8R0.4 CCCCNCOCC 6270590fe71f8e7cfb7887c503e7cb19 [0,1,0,0,0,0|2,0,1]=4 269 B8R0.4 CCCCNCSC#N dfeda221abed111486763f2fd74e4e88 [0,1,0,0,0,0|2,0,1]=4 270 B8R0.4 CCCCOC/C=C/Cl 568b090b21b75e4cb48d2918836f8eba [0,1,0,0,0,0|2,0,1]=4 271 B8R0.4 CCCCOC/C=C\Cl 9d90a4fa764ef1d03091eed959904ce8 [0,1,0,0,0,0|2,0,1]=4 272 B8R0.4 CCCCOCC#CI de4efa528daa8422c1ae39c8b0defeb9 [0,1,0,0,0,0|2,0,1]=4 273 B8R0.4 CCCCOCC=CCl 0f3a0d8674fc69f02691e3930c83fca6 [0,1,0,0,0,0|2,0,1]=4 274 B8R0.4 CCCCOCCC#N d96485889b3a21063dcc51f113b3be83 [0,1,0,0,0,0|2,0,1]=4 275 B8R0.4 CCCCOCCC=O 72658ceb532935f03c9214743d27894e [0,1,0,0,0,0|1,1,1]=4 276 B8R0.4 CCCCOCCCC a5b0ef99667fb81b30d5c592594cbe40 [0,1,0,0,0,0|2,0,1]=4 277 B8R0.4 CCCCOCCCF 45b018660e48781496e6d186d7b4c5cd [0,1,0,0,0,0|2,0,1]=4 278 B8R0.4 CCCCOCCCS 0d2d1055462c2504dc523af75dd3766f [0,1,0,0,0,0|1,0,2]=4 279 B8R0.4 CCCCOCCOC 6735cacff3b7f7ef1ac59b3af2d64f94 [0,1,0,0,0,0|3,0,0]=4 280 B8R0.4 CCCCOCCSC 7ffec2766bbf61d3fb8039a26d074049 [0,1,0,0,0,0|3,0,0]=4 281 B8R0.4 CCCCOCNC#N 7d8640c8f1ae7154115955640afd3895 [0,1,0,0,0,0|1,0,2]=4 282 B8R0.4 CCCCOCOCC cfd273cfcd393094625c8ef6899069be [0,1,0,0,0,0|2,0,1]=4 283 B8R0.4 CCCCOCSC#N 9c7075f55dbeb3f0f43910abd503e0d9 [0,1,0,0,0,0|2,0,1]=4 284 B8R0.4 CCCNCCCC#N 0e4bb5c930d4405af9112d69df156b92 [0,1,0,0,0,0|2,0,1]=4 285 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [0,1,0,0,0,0|1,1,1]=4 286 B8R0.4 CCCNCCCCCl 86d3fabc966fee554ec309bcdb6a6f42 [0,1,0,0,0,0|2,0,1]=4 287 B8R0.4 CCCNCCCCF f801e13fe9947adffb3521a5945c4de9 [0,1,0,0,0,0|2,0,1]=4 288 B8R0.4 CCCNCCCCO 101d8adf768a1371279ab06c67e1a854 [0,1,0,0,0,0|1,1,1]=4 289 B8R0.4 CCCNCCCCS e81cbea71a1d34af60d6fe3b38b1645e [0,1,0,0,0,0|1,0,2]=4 290 B8R0.4 CCCNCCCOC 97e272a50a3dc43fab42b265af642693 [0,1,0,0,0,0|3,0,0]=4 291 B8R0.4 CCCNCCCSC a1fb4fe81d031e7dcffdf0d0cda484e8 [0,1,0,0,0,0|3,0,0]=4 292 B8R0.4 CCCNCCOCC 788b5a303fd5463369b362f7c1e82c05 [0,1,0,0,0,0|2,0,1]=4 293 B8R0.4 CCCNCCSCC 145c32b87daf4b90eafd0f3078816379 [0,1,0,0,0,0|2,0,1]=4 294 B8R0.4 CCCOCCCC#N b3a2f594f5ca80ef3759bc59478543ea [0,1,0,0,0,0|2,0,1]=4 295 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [0,1,0,0,0,0|1,1,1]=4 296 B8R0.4 CCCOCCCCF 4b4695bfbe072018bc890c8e6fdbfb83 [0,1,0,0,0,0|2,0,1]=4 297 B8R0.4 CCCOCCCCS 0885ae66405cbad0900445dfe2d6de97 [0,1,0,0,0,0|1,0,2]=4 298 B8R0.4 CCCOCCCOC 8f84ed15eeef50c54bbb8786899dacf1 [0,1,0,0,0,0|3,0,0]=4 299 B8R0.4 CCCOCCCSC 8c60126d0675ea04220b398e82d839b9 [0,1,0,0,0,0|3,0,0]=4 300 B8R0.4 CCCOCCNC#N 7c9db8b809fab9f35251db16db3e5fe8 [0,1,0,0,0,0|1,0,2]=4 301 B8R0.4 CCCOCCNC=O 698de65c018187ef4a1695deaa4ff61b [0,1,0,0,0,0|0,1,2]=4 302 B8R0.4 CCCOCCNCC 3ad8014459df89d50716c0dd5d41fb69 [0,1,0,0,0,0|1,0,2]=4 303 B8R0.4 CCCOCCNCF a9319f07478697381a5dccdb718d2320 [0,1,0,0,0,0|1,0,2]=4 304 B8R0.4 CCCOCCNCO 8595bcbbbf5fd075137f627b7ec6b8b8 [0,1,0,0,0,0|0,1,2]=4 305 B8R0.4 CCCOCCOC=O 55073fa6df391382112376726b3f158f [0,1,0,0,0,0|1,1,1]=4 306 B8R0.4 CCCOCCOCC 329b2bcd6f865f8651c78dbc452ecac4 [0,1,0,0,0,0|2,0,1]=4 307 B8R0.4 CCCOCCOCF 6893c8c2de2661d9cf2e52b0c6eaabcf [0,1,0,0,0,0|2,0,1]=4 308 B8R0.4 CCCOCCSCC 64da344c31f9c5888d0de5ce68aa3904 [0,1,0,0,0,0|2,0,1]=4 309 B8R0.4 CCCSCCOCC c76e8fe318a52d32927def1b7ebdffa7 [0,1,0,0,0,0|2,0,1]=4 310 B8R0.4 CCCSCCOCF 720d0236377e6144f736cd0f4037f880 [0,1,0,0,0,0|2,0,1]=4 311 B8R0.4 CCNCCCCC#N 9e15e29ecbde2ec66e303cda1d143969 [0,1,0,0,0,0|2,0,1]=4 312 B8R0.4 CCNCCCCCCl d0609d1c7cda7ae2e8395ed8f09a6278 [0,1,0,0,0,0|1,0,2]=4 313 B8R0.4 CCNCCCCCO d908c3b79a6fe3de0920b09f17e57911 [0,1,0,0,0,0|1,0,2]=4 314 B8R0.4 CCNCCCCOC 2651322fa047b3732accc75cc3da11da [0,1,0,0,0,0|1,0,2]=4 315 B8R0.4 CCNCCCCSC 49c922b465a04d36e231bfa2a39a115f [0,1,0,0,0,0|1,0,2]=4 316 B8R0.4 CCNCCCOCC f2ffbe155d0d4a2462785a082836f9b5 [0,1,0,0,0,0|1,0,2]=4 317 B8R0.4 CCOCCCCC#N a89281f5bb95502482baedf76edf677f [0,1,0,0,0,0|2,0,1]=4 318 B8R0.4 CCOCCCCC=O d263cb2a99b9780b9b3058ad6e318449 [0,1,0,0,0,0|1,1,1]=4 319 B8R0.4 CCOCCCCOC 884278e30d78a09f4fe2f7feb30d0d3f [0,1,0,0,0,0|2,0,1]=4 320 B8R0.4 CCOCCCCSC c32f6fe4365f04c7fe23f7790fb72a1b [0,1,0,0,0,0|2,0,1]=4 321 B8R0.4 CCOCCCNC#N fd2ccebca410f9845ac7f36c8935d4bb [0,1,0,0,0,0|1,0,2]=4 322 B8R0.4 CCOCCCNC=O 0935cc0e22c341f4c068e5af7412e4dc [0,1,0,0,0,0|0,1,2]=4 323 B8R0.4 CCOCCCNCF c6a11378b9c44a817d79d2cae799cfcb [0,1,0,0,0,0|1,0,2]=4 324 B8R0.4 CCOCCCNCO bfe6253cc19f5ad9b4c9906398627a21 [0,1,0,0,0,0|0,1,2]=4 325 B8R0.4 CCOCCCOCC 1ce53fcb477dcf09005ceecf2916bb17 [0,1,0,0,0,0|2,0,1]=4 326 B8R0.4 CCOCCCOCF 2c2cf6b3b3dd51f869cf61ba85e465ae [0,1,0,0,0,0|2,0,1]=4 327 B8R0.4 CCOCCCSCC 93ac6b931fc33d114d8490d7cf350c9c [0,1,0,0,0,0|2,0,1]=4 328 B8R0.4 CCSCCCNC#N 408d6cc405f2608ea2ee21cd7eaf0917 [0,1,0,0,0,0|1,0,2]=4 329 B8R0.4 CCSCCCOCF d72522531acf839532bc264a9c459c9f [0,1,0,0,0,0|2,0,1]=4 330 B8R0.4 COCCCCNC#N 70fc41cf1abf143f82bd4ce3f422312e [0,1,0,0,0,0|1,0,2]=4 331 B8R0.4 COCCCCNC=O 6e2b3dcc61de1f0bdb65d861415360be [0,1,0,0,0,0|0,1,2]=4 332 B8R0.4 COCCCCNCF 02b595b8665bf6ad2985079f7ac0aeb1 [0,1,0,0,0,0|1,0,2]=4 333 B8R0.4 COCCCCNCO 51786f99381d54403ea46d9383ba40cc [0,1,0,0,0,0|0,1,2]=4 334 B8R0.4 COCCCCOCF e815a6c287695e1a636002d6644f305e [0,1,0,0,0,0|2,0,1]=4 335 B8R0.4 CSCCCCNC=O c239594501a90b4a128618f0c7081c5b [0,1,0,0,0,0|0,1,2]=4 336 B8R0.4 CSCCCCNCF 4c4e5a07a28e7083039da3f830ae7f8b [0,1,0,0,0,0|1,0,2]=4 337 B8R0.4 CSCCCCNCO ae40ab4fa2d5d94966b509e075b958da [0,1,0,0,0,0|0,1,2]=4 338 B8R0.4 CSCCCCOCF d0c2f220ea9615e6564739bdaf4f26d6 [0,1,0,0,0,0|2,0,1]=4 339 B8R0.4 FCNCCCCCCl bd9b55a0e75ce920cf8d77e10ce4c39a [0,1,0,0,0,0|1,0,2]=4 340 B8R0.4 N#CNCCCCCF 2b93cdebfbe8351dc174fde05e7a111e [0,1,0,0,0,0|1,0,2]=4 341 B8R0.4 N#CNCCCCCO d583c9789e660923ecc814b67aac885f [0,1,0,0,0,0|1,0,2]=4 342 B8R0.4 O=CNCCCCCCl 66cea552e3781af1cb79b403cbf86bb3 [0,1,0,0,0,0|0,1,2]=4 343 B8R0.4 O=CNCCCCCO d786d8c3b7589bade0484b0d1e3b2e3b [0,1,0,0,0,0|0,1,2]=4 344 B8R0.4 OCCCCCNCF 25d56bc8c15e4c20f5a184f918113f82 [0,1,0,0,0,0|1,0,2]=4 345 B8R0.4 OCCCCCNCO 038987fbd20376da0184e7a2bb8e961a [0,1,0,0,0,0|0,1,2]=4 346 B8R0.4 OCNCCCCCCl e4dd2c6014a8adf50a81d9204a644674 [0,1,0,0,0,0|0,1,2]=4 347 B8R0.6 CCC(C)CCNC#N e4f84fd8285c7aace071caec13b44745 [0,1,0,0,0,0|1,0,2]=4 348 B8R0.6 CCC(C)CCNC=O 558581aaa032d77ec9625244f37a5ff2 [0,1,0,0,0,0|0,1,2]=4 349 B8R0.6 CCC(C)CCNCF f015aff687b1ff0add996f7f0d7f62f2 [0,1,0,0,0,0|1,0,2]=4 350 B8R0.6 CCC(C)CCNCO a717183e2753a65ce41087de67df43e3 [0,1,0,0,0,0|0,1,2]=4 351 B8R0.6 CCC(C)CCOCF ad49fb93dbc6e5096875ca8b33e35d2e [0,1,0,0,0,0|2,0,1]=4 352 B8R0.6 CCC(S)CCOCF fd9f97763905898c36d44cc90e7d0d91 [0,1,0,0,0,0|2,0,1]=4 353 B8R0.6 CCCCCN(C)C=O 7b286f721a9c6a91b513309dd89d81c0 [0,1,0,0,0,0|0,1,2]=4 354 B8R0.6 CCCCCN(C)CC 9518c2300d9243488291f90365ee6acc [0,1,0,0,0,0|1,0,2]=4 355 B8R0.6 CCCCCN(C)CF 8024733ae25e28b26397cb54377f95de [0,1,0,0,0,0|1,0,2]=4 356 B8R0.6 CCCCCN(C)CO 702cd1b5f55dd49ef03de9639f750f5d [0,1,0,0,0,0|0,1,2]=4 357 B8R0.6 CCNCCC(C)CC 7d7a35762e8ac86a31a49df307629678 [0,1,0,0,0,0|1,0,2]=4 358 B8R0.6 CCOCCC(C)CC 0554257e939379702c3853cde29331cf [0,1,0,0,0,0|2,0,1]=4 359 B8R0.6 CCOCCC(S)CC b96bbf1eb0d6bf468c99e0b8751c21b4 [0,1,0,0,0,0|2,0,1]=4 360 B8R0.6 CCOCC[C@@H](C)CC 6ed2f49f8ab9032ae166b1c906dbc07b [0,1,0,0,0,0|2,0,1]=4 361 B8R0.6 CC[C@H](C)CCOCF 4b30d5d94bbbb4fdbcf22cabd2f557ea [0,1,0,0,0,0|2,0,1]=4 362 B8R0.7 C=C=CCCOC(C)C 2c96a9b0827028cf5a3a6008e9bc6224 [0,1,0,0,0,0|3,0,0]=4 363 B8R0.7 CC(C)CCCNC#N b26d986ff5d7d2e96e2228fa15fa9499 [0,1,0,0,0,0|1,0,2]=4 364 B8R0.7 CC(C)CCCNC=O bfa0e9e134f210b758698d92c7453fd7 [0,1,0,0,0,0|0,1,2]=4 365 B8R0.7 CC(C)CCCNCF db99dd2fc56150b995ab6795ced65117 [0,1,0,0,0,0|1,0,2]=4 366 B8R0.7 CC(C)CCCNCO 9750317b56b896399a99f3a7f7a4e4a1 [0,1,0,0,0,0|0,1,2]=4 367 B8R0.7 CC(C)CCCOCF 074ff3c76c900e9b0ff85e608ffe9d01 [0,1,0,0,0,0|2,0,1]=4 368 B8R0.7 CC(O)CCCNC#N f5204db338ac95f905fdf8c02ea602e4 [0,1,0,0,0,0|1,0,2]=4 369 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [0,1,0,0,0,0|0,1,2]=4 370 B8R0.7 CCCCCNC(C)C fecd5fbc16956a143ac8609a2bd9e0c3 [0,1,0,0,0,0|1,0,2]=4 371 B8R0.7 CCCCCOC(C)C d4e915467a92d9554e0d3ccd108d1b4d [0,1,0,0,0,0|2,0,1]=4 372 B8R0.7 CCCCOCC(=S)N 66f00256fcd5080323facaf554f24131 [0,1,0,0,0,0|2,0,1]=4 373 B8R0.7 CCCNCCC(=S)N 9bd19729128b21bf5f6ba43475b023e4 [0,1,0,0,0,0|2,0,1]=4 374 B8R0.7 CCNCCCC(C)C 6e52cb7d352b50eb30e238c582f22475 [0,1,0,0,0,0|1,0,2]=4 375 B8R0.7 CCNCCNC(=S)N 8fc810e8d29b290b15d6cde2db7581aa [0,1,0,0,0,0|1,0,2]=4 376 B8R0.7 CCOCCCC(C)C e68811d021b73c585b1339be7097acd9 [0,1,0,0,0,0|2,0,1]=4 377 B8R0.7 CCOCCNC(=S)N d18ad8983712a47acdc463189d7e5669 [0,1,0,0,0,0|1,0,2]=4 378 B8R1.8 CCNC1CCCC1 abbec96cb7bed76391f8cd34a2b780b6 [0,0,0,1,0,0|1,0,2]=4 379 B8R1.8 CCOC1CCCC1 ce4ece9e93729f2dc32c7121b6646f41 [0,0,0,1,0,0|2,0,1]=4 380 B8R1.8 FCNC1CCCC1 aa1dda43fcc2c9304287b028aaf95907 [0,0,0,1,0,0|1,0,2]=4 381 B8R1.8 FCOC1CCCC1 3a18d808c8ea803a7e2173107aa8436c [0,0,0,1,0,0|2,0,1]=4 382 B8R1.8 N#CNC1CCCC1 1455c5fdc3e5fbc19f5d3501e1b484ad [0,0,0,1,0,0|1,0,2]=4 383 B8R1.8 O=CNC1CCCC1 9941fb95f5bfd095412442670e9f2499 [0,0,0,1,0,0|0,1,2]=4 384 B8R1.8 OCNC1CCCC1 bd97d9ff634af16a4e2cdcc6aa11ca03 [0,0,0,1,0,0|0,1,2]=4 385 B8R1.9 CC1CC1COCF 0efb070ccdbaf1808a5f5a5c1bb3e217 [0,0,0,1,0,0|2,0,1]=4 386 B8R1.9 CCOCC1CC1C a1ad259ec9fec6cbcfa8781679544c1d [0,0,0,1,0,0|2,0,1]=4 387 B8R1.9 CCOC[C@@H]1C[C@@H]1C 4ce6bf2d2de734fe8f28315de3f63974 [0,0,0,1,0,0|2,0,1]=4 388 B8R1.9 CCOC[C@@H]1C[C@H]1C f1e8faba0bc503df2acdbd86da05c1cd [0,0,0,1,0,0|2,0,1]=4 389 B8R1.9 CCOC[C@H]1C[C@@H]1C d0e5d8760a155c6ca9b44bd743e35a53 [0,0,0,1,0,0|2,0,1]=4 390 B8R1.9 C[C@@H]1C[C@H]1COCF 129ba0ab352aefcfce2349cccfe0fa1e [0,0,0,1,0,0|2,0,1]=4 391 B8R1.9 C[C@H]1C[C@@H]1COCF 308b12cf24ad8c00d69839382d63f20d [0,0,0,1,0,0|2,0,1]=4 392 B8R1.9 C[C@H]1C[C@H]1COCF 579e56ca8b8650dc1966dcbdfcaad8aa [0,0,0,1,0,0|2,0,1]=4 393 B8R1.10 CCNCC1CCC1 51789aa8cde681373936f52aa711708a [0,0,0,1,0,0|1,0,2]=4 394 B8R1.10 CCOCC1CCC1 d50b1f59edc7cd2c85ebc568d9e5d0da [0,0,0,1,0,0|2,0,1]=4 395 B8R1.10 FCNCC1CCC1 c3544a1b5d74b5435fdba66fb0047311 [0,0,0,1,0,0|1,0,2]=4 396 B8R1.10 FCOCC1CCC1 84fe76da6760c3f505ffe7ca74fa4c75 [0,0,0,1,0,0|2,0,1]=4 397 B8R1.10 N#CNCC1CCC1 3fc906270c7c43047f0e8ddb20eb14ab [0,0,0,1,0,0|1,0,2]=4 398 B8R1.10 O=CNCC1CCC1 8913f5bd1f8df32bedea9e3deac9ac7d [0,0,0,1,0,0|0,1,2]=4 399 B8R1.10 OCNCC1CCC1 0c7f906c5d119c07af5d18a3e17be827 [0,0,0,1,0,0|0,1,2]=4 400 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [0,0,0,1,0,0|0,1,2]=4 401 B8R1.11 CC1CCCN1CF fe20c957914c646b3b4006d1b063b75a [0,0,0,1,0,0|1,0,2]=4 402 B8R1.11 CC1CCCN1CO 54974954fab0e072c3e5d67d217551d6 [0,0,0,1,0,0|0,1,2]=4 403 B8R1.11 CCN1CCCC1C 74d058d7956efbc8ae4ef590fc86d9c6 [0,0,0,1,0,0|1,0,2]=4 404 B8R1.11 CCN1CCC[C@@H]1C 5bf7e722ced97ef7aec7490b4d0dc25a [0,0,0,1,0,0|1,0,2]=4 405 B8R1.11 CCN1CCC[C@H]1C e74b9532535bc2eef7ae4850e9df5331 [0,0,0,1,0,0|1,0,2]=4 406 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [0,0,0,1,0,0|0,1,2]=4 407 B8R1.11 C[C@@H]1CCCN1CF e9b99bb24d3baf133d2b2e0829d1f9dd [0,0,0,1,0,0|1,0,2]=4 408 B8R1.11 C[C@@H]1CCCN1CO 4fcb8232d21346615f4cbb83427dc320 [0,0,0,1,0,0|0,1,2]=4 409 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [0,0,0,1,0,0|0,1,2]=4 410 B8R1.11 C[C@H]1CCCN1CF dcda868098b241037a860e32aa3597cd [0,0,0,1,0,0|1,0,2]=4 411 B8R1.11 C[C@H]1CCCN1CO 2f61618a874473c8038742f46c63e99b [0,0,0,1,0,0|0,1,2]=4 412 B8R1.12 CCC1CCN1C=O 4d6ef5a44aefaf3ec9d57c4c6afb459e [0,0,0,1,0,0|0,1,2]=4 413 B8R1.12 CCC1CCN1CC 821fbbe29ed1b9d1547efa94187e7e9f [0,0,0,1,0,0|1,0,2]=4 414 B8R1.12 CCC1CCN1CF 2af23cf7c66aae8dbbf135025a194011 [0,0,0,1,0,0|1,0,2]=4 415 B8R1.12 CCC1CCN1CO caf0ac1fced23c53f6877050d9fa7187 [0,0,0,1,0,0|0,1,2]=4 416 B8R1.13 CCN[C@@H]1CC[C@H]1C b2a7a1306f6d284a439c237328784f14 [0,0,0,1,0,0|1,0,2]=4 417 B8R1.13 CCN[C@H]1CC[C@H]1C afc3ebb3c9df554bbf3e4778dd720d68 [0,0,0,1,0,0|1,0,2]=4 418 B8R1.13 C[C@@H]1CC[C@@H]1NC=O 832ca8b43ce77bd607bafce837c26208 [0,0,0,1,0,0|0,1,2]=4 419 B8R1.13 C[C@@H]1CC[C@@H]1NCF 6b38eed80c01be6c9debc46a3a554bff [0,0,0,1,0,0|1,0,2]=4 420 B8R1.13 C[C@@H]1CC[C@@H]1NCO 2960d592a0e513b93c75efb384f4f549 [0,0,0,1,0,0|0,1,2]=4 421 B8R1.13 C[C@@H]1CC[C@H]1NC=O d2720f62c3566f7476bb8bd3bbb32a7b [0,0,0,1,0,0|0,1,2]=4 422 B8R1.13 C[C@@H]1CC[C@H]1NCF 942b8307f34c60e7d4ef1a19714a9740 [0,0,0,1,0,0|1,0,2]=4 423 B8R1.13 C[C@@H]1CC[C@H]1NCO 451b99fc958d625f841e0dfd131356c8 [0,0,0,1,0,0|0,1,2]=4 424 B8R1.36 CCNCCC1CC1 c403e5d19efa9bd3bd9474a55fa91f77 [0,0,0,1,0,0|1,0,2]=4 425 B8R1.36 CCOCCC1CC1 fc916bef9b2390c47f74a3ae85c46af3 [0,0,0,1,0,0|2,0,1]=4 426 B8R1.36 FCNCCC1CC1 25ac1c91045f2fe5fb430e80f7912798 [0,0,0,1,0,0|1,0,2]=4 427 B8R1.36 FCOCCC1CC1 05e4af345a0e47e30a799f36a5de9ee5 [0,0,0,1,0,0|2,0,1]=4 428 B8R1.36 N#CNCCC1CC1 a67fb291654817ea0c1f40b13b038e59 [0,0,0,1,0,0|1,0,2]=4 429 B8R1.36 O=CNCCC1CC1 9542a5931e0c3890dfcf8d7169cc9114 [0,0,0,1,0,0|0,1,2]=4 430 B8R1.36 OCNCCC1CC1 9ac5f3dcb18a653ec6a09bfee9d0670c [0,0,0,1,0,0|0,1,2]=4 431 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [2,0,0,0,0,0|1,0,1]=4 432 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [2,0,0,0,0,0|2,0,0]=4 433 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [2,0,0,0,0,0|1,1,0]=4 434 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [2,0,0,0,0,0|1,0,1]=4 435 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [2,0,0,0,0,0|2,0,0]=4 436 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [2,0,0,0,0,0|2,0,0]=4 437 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [2,0,0,0,0,0|2,0,0]=4 438 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [2,0,0,0,0,0|2,0,0]=4 439 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [2,0,0,0,0,0|1,1,0]=4 440 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [2,0,0,0,0,0|1,0,1]=4 441 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [2,0,0,0,0,0|2,0,0]=4 442 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [2,0,0,0,0,0|1,0,1]=4 443 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [1,1,0,0,0,0|1,0,1]=4 444 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [1,1,0,0,0,0|1,0,1]=4 445 B9R0.2 C=C=CCCOCC(C)C 3c06c5c58fea6440f92674cd035fcc21 [0,2,0,0,0,0|2,0,0]=4 446 B9R0.2 CCCCCOCC(=S)N 2157e345254c9ce27b0fedd6edd60b5b [0,2,0,0,0,0|1,0,1]=4 447 B9R0.2 CCCCNCCC(=S)N 7a74028cfb8507b34fa2a8c0010aaa96 [0,2,0,0,0,0|1,0,1]=4 448 B9R0.2 CCCNCCNC(=S)N 1f8f9d9753f751fa31be35918f676917 [0,2,0,0,0,0|0,0,2]=4 449 B9R0.2 CCCOCCNC(=S)N 16d02dff3ac7ad964ad82d0352824645 [0,2,0,0,0,0|0,0,2]=4 450 B9R0.45 C=C=CCCOCCCC 5bd6b2c5c25cc2126ad420d63c19c871 [0,2,0,0,0,0|2,0,0]=4 451 B9R0.45 C=C=CCCOCCCF f32bbd1607310b8957a11f5ab5026833 [0,2,0,0,0,0|2,0,0]=4 452 B9R0.45 C=C=CCCOCCCS 88dd70ec2232058b36759f0d2ccd64f5 [0,2,0,0,0,0|2,0,0]=4 453 B9R0.45 C=C=CCCOCCOC 2f73065aed8e0eff7d3149ecfddebc3a [0,2,0,0,0,0|2,0,0]=4 454 B9R0.45 C=C=CCCOCCSC 3195f535d75753998c906fda4d23644b [0,2,0,0,0,0|2,0,0]=4 455 B9R0.45 C=C=CCCOCOCC f39907bfb41226b90de75a1cc9f7663a [0,2,0,0,0,0|2,0,0]=4 456 B9R0.45 CC=C=CCCOCCC c98648b64a6bd61fce8033f3515764f0 [0,2,0,0,0,0|2,0,0]=4 457 B9R0.46 C=C=CCCOC(C)CC c3169cb40e0cdfe11445bb966ccce2c8 [0,2,0,0,0,0|2,0,0]=4 458 B9R1.83 C=C=CCCOC1CC1 e6554e15c293e7faa74abe74dd5299a3 [0,1,0,1,0,0|2,0,0]=4