0 B8R1.2 CCN1CCCOC1 53af203468797a49275022682d8f1a11 [0,1,0,0,0,0|3,0,0]=4 1 B8R1.2 CCN1CCCSC1 94ac8411443cb0a4aa7db7b3767bc109 [0,1,0,0,0,0|3,0,0]=4 2 B8R1.2 CCN1CCOCC1 fb923a7109dd2702dd7751939694bf0a [0,1,0,0,0,0|3,0,0]=4 3 B8R1.2 CCN1CCSCC1 1b9658d9d2dd04d5c3441497757b0605 [0,1,0,0,0,0|3,0,0]=4 4 B8R1.2 FCN1CCCOC1 0813b9bdd7e109f7922171400e48b2a2 [0,1,0,0,0,0|3,0,0]=4 5 B8R1.2 FCN1CCCSC1 18b1e690d5a67e082a0e052f9650c2cd [0,1,0,0,0,0|3,0,0]=4 6 B8R1.2 FCN1CCOCC1 af38a82d0a4a474edc4ef56a4d84bb37 [0,1,0,0,0,0|3,0,0]=4 7 B8R1.2 FCN1CCSCC1 3fd57c8b0b453362bf0663a583869566 [0,1,0,0,0,0|3,0,0]=4 8 B8R1.2 O=CN1CCCOC1 f5641b081c81baeb630a926cccc2dad9 [0,1,0,0,0,0|3,0,0]=4 9 B8R1.2 O=CN1CCCSC1 02efafcaba189386286d3d47585eb111 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.2 O=CN1CCOCC1 477872453b181b061009dc05da1525e4 [0,1,0,0,0,0|3,0,0]=4 11 B8R1.2 O=CN1CCSCC1 ef4056096863dc4bdb0fd1df8e6f14a0 [0,1,0,0,0,0|3,0,0]=4 12 B8R1.2 OCN1CCCOC1 5d3795378d3cf5e5400d928253cd75c6 [0,1,0,0,0,0|3,0,0]=4 13 B8R1.2 OCN1CCCSC1 29a305b970bef8ec6ed20eb90ae3d8b0 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.2 OCN1CCOCC1 3c0de8397d4dab0c1377ef06b9b6455d [0,1,0,0,0,0|3,0,0]=4 15 B8R1.2 OCN1CCSCC1 4d391d2b8bcebf873f589c97ea63c0e7 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [0,0,1,0,0,0|3,0,0]=4 17 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,0,1,0,0,0|3,0,0]=4 18 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [0,0,1,0,0,0|3,0,0]=4 19 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,0,1,0,0,0|2,0,0]=3 20 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [0,0,1,0,0,0|3,0,0]=4 21 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,0,1,0,0,0|3,0,0]=4 22 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [0,0,1,0,0,0|3,0,0]=4 23 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [0,0,1,0,0,0|3,0,0]=4 24 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [0,0,1,0,0,0|3,0,0]=4 25 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [0,0,1,0,0,0|3,0,0]=4 26 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [0,0,1,0,0,0|3,0,0]=4 27 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,0,1,0,0,0|2,0,0]=3 28 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [0,0,1,0,0,0|3,0,0]=4 29 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,0,1,0,0,0|2,0,0]=3 30 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [0,0,1,0,0,0|3,0,0]=4 31 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,0,1,0,0,0|2,0,0]=3 32 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [0,0,1,0,0,0|3,0,0]=4 33 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,0,1,0,0,0|2,0,0]=3 34 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [0,0,1,0,0,0|3,0,0]=4 35 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,0,1,0,0,0|3,0,0]=4 36 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,0,1,0,0,0|2,0,0]=3 37 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,0,1,0,0,0|2,0,0]=3 38 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,0,1,0,0,0|3,0,0]=4 39 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [0,0,1,0,0,0|3,0,0]=4 40 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,0,1,0,0,0|3,0,0]=4 41 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [0,0,1,0,0,0|3,0,0]=4 42 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [0,0,1,0,0,0|3,0,0]=4 43 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,0,1,0,0,0|3,0,0]=4 44 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [0,0,1,0,0,0|3,0,0]=4 45 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,0,1,0,0,0|2,0,1]=4 46 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,0,1,0,0,0|2,0,1]=4 47 B6R0.4 CC(C)CNCF 8978b44d87fa42438515590def89eb79 [0,0,1,0,0,0|3,0,0]=4 48 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [0,0,1,0,0,0|3,0,0]=4 49 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [0,0,1,0,0,0|3,0,0]=4 50 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [0,0,1,0,0,0|3,0,0]=4 51 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [0,0,1,0,0,0|3,0,0]=4 52 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [0,0,1,0,0,0|3,0,0]=4 53 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [0,0,1,0,0,0|3,0,0]=4 54 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [0,0,1,0,0,0|3,0,0]=4 55 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [0,0,1,0,0,0|3,0,0]=4 56 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [0,0,1,0,0,0|3,0,0]=4 57 B6R0.4 CC(F)COCF 184378aa5cda319f35eff5a374bd7b36 [0,0,1,0,0,0|3,0,0]=4 58 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [0,0,1,0,0,0|3,0,0]=4 59 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [0,0,1,0,0,0|3,0,0]=4 60 B6R0.4 CC(S)COCF f0912ffde29b0e269706eb1406d36aad [0,0,1,0,0,0|3,0,0]=4 61 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,0,1,0,0,0|2,0,1]=4 62 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [0,0,1,0,0,0|2,0,0]=3 63 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [0,0,1,0,0,0|2,0,0]=3 64 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,0,1,0,0,0|2,0,1]=4 65 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,0,1,0,0,0|2,0,1]=4 66 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [0,0,1,0,0,0|2,0,0]=3 67 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [0,0,1,0,0,0|2,0,0]=3 68 B6R0.4 CCNCC(F)F 378c0d6ca4a67a557b47e015a9ac5778 [0,0,1,0,0,0|3,0,0]=4 69 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [0,0,1,0,0,0|2,0,0]=3 70 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [0,0,1,0,0,0|2,0,0]=3 71 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,0,1,0,0,0|2,0,1]=4 72 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,0,1,0,0,0|2,0,1]=4 73 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [0,0,1,0,0,0|2,0,1]=4 74 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [0,0,1,0,0,0|2,0,0]=3 75 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [0,0,1,0,0,0|2,0,0]=3 76 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [0,0,1,0,0,0|2,0,0]=3 77 B6R0.4 CCOCC(F)F 7bbeb9fafaa3b77bf5c2f88368607c83 [0,0,1,0,0,0|3,0,0]=4 78 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [0,0,1,0,0,0|2,0,0]=3 79 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [0,0,1,0,0,0|2,0,0]=3 80 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [0,0,1,0,0,0|3,0,0]=4 81 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [0,0,1,0,0,0|3,0,0]=4 82 B6R0.4 C[C@@H](F)COCF 2fceb23c1851fd728d248a746424d5d7 [0,0,1,0,0,0|3,0,0]=4 83 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [0,0,1,0,0,0|3,0,0]=4 84 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [0,0,1,0,0,0|3,0,0]=4 85 B6R0.4 C[C@H](F)COCF e3a81502e05212c96edfcd9edba6a43c [0,0,1,0,0,0|3,0,0]=4 86 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [0,0,1,0,0,0|3,0,0]=4 87 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [0,0,1,0,0,0|3,0,0]=4 88 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [0,0,1,0,0,0|2,0,1]=4 89 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [0,0,1,0,0,0|2,0,1]=4 90 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [0,0,1,0,0,0|2,0,1]=4 91 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [0,0,1,0,0,0|2,0,1]=4 92 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [0,0,1,0,0,0|2,0,1]=4 93 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [0,0,1,0,0,0|2,0,1]=4 94 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [0,0,1,0,0,0|2,0,1]=4 95 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [0,0,1,0,0,0|2,0,1]=4 96 B6R0.6 CCCCNC#N 2fcfe24b87d3fb74c30aadce76da6bba [0,0,1,0,0,0|1,0,2]=4 97 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [0,0,1,0,0,0|2,0,1]=4 98 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [0,0,1,0,0,0|2,0,0]=3 99 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [0,0,1,0,0,0|2,0,0]=3 100 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [0,0,1,0,0,0|2,0,0]=3 101 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [0,0,1,0,0,0|2,0,0]=3 102 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [0,0,1,0,0,0|2,0,0]=3 103 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [0,0,1,0,0,0|1,0,2]=4 104 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [0,0,1,0,0,0|2,0,1]=4 105 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [0,0,1,0,0,0|2,0,0]=3 106 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [0,0,1,0,0,0|2,0,0]=3 107 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [0,0,1,0,0,0|2,0,0]=3 108 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [0,0,1,0,0,0|2,0,0]=3 109 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [0,0,1,0,0,0|2,0,0]=3 110 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [0,0,1,0,0,0|2,0,0]=3 111 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [0,0,1,0,0,0|3,0,0]=4 112 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [0,0,1,0,0,0|3,0,0]=4 113 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [0,0,1,0,0,0|1,0,2]=4 114 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [0,0,1,0,0,0|2,0,1]=4 115 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [0,0,1,0,0,0|2,0,0]=3 116 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [0,0,1,0,0,0|2,0,0]=3 117 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [0,0,1,0,0,0|2,0,0]=3 118 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [0,0,1,0,0,0|3,0,0]=4 119 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [0,0,1,0,0,0|3,0,0]=4 120 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [0,0,1,0,0,0|1,0,2]=4 121 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [0,0,1,0,0,0|2,0,0]=3 122 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [0,0,1,0,0,0|2,0,0]=3 123 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [0,0,1,0,0,0|3,0,0]=4 124 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [0,0,1,0,0,0|2,0,0]=3 125 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [0,0,1,0,0,0|3,0,0]=4 126 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [0,0,1,0,0,0|1,0,2]=4 127 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [0,0,1,0,0,0|2,0,1]=4 128 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [0,0,1,0,0,0|2,0,0]=3 129 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [0,0,1,0,0,0|2,0,0]=3 130 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [0,0,1,0,0,0|3,0,0]=4 131 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [0,0,1,0,0,0|3,0,0]=4 132 B6R0.6 COCCNCF e77dc04900c9c99d5994a5d30132520a [0,0,1,0,0,0|3,0,0]=4 133 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [0,0,1,0,0,0|3,0,0]=4 134 B6R0.6 COCCOCF c6fb5a621cf5e8cd94e24b0621578457 [0,0,1,0,0,0|3,0,0]=4 135 B6R0.6 COCNCCBr cc0c7490b746ceca79f01407d355ea03 [0,0,1,0,0,0|3,0,0]=4 136 B6R0.6 COCNCCF 2f29adbcc69c16fb45653c78fbf21233 [0,0,1,0,0,0|3,0,0]=4 137 B6R0.6 COCNCCI 397b4e96463dc133fb2c78ebc9b4b8aa [0,0,1,0,0,0|3,0,0]=4 138 B6R0.6 COCNCCO d157601c59ef2c697e67935359e46769 [0,0,1,0,0,0|3,0,0]=4 139 B6R0.6 COCNCCS 786afdf72bf335f5d127e835a740393a [0,0,1,0,0,0|3,0,0]=4 140 B6R0.6 COCOCCF 2e4d69c3ff16b703ccfaad8173ebee7c [0,0,1,0,0,0|3,0,0]=4 141 B6R0.6 COCOCCS fcfa81efb868e68483c1465ed07af8f4 [0,0,1,0,0,0|3,0,0]=4 142 B6R0.6 CSCCNCF f9e826d56784386e3fbd3943c2c335d4 [0,0,1,0,0,0|3,0,0]=4 143 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [0,0,1,0,0,0|3,0,0]=4 144 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [0,0,1,0,0,0|3,0,0]=4 145 B6R0.6 CSCNCCBr bcad065c861badf94807934e6680f65f [0,0,1,0,0,0|3,0,0]=4 146 B6R0.6 CSCNCCF 80c1e887cd7ee5f3261a9c98dd841f62 [0,0,1,0,0,0|3,0,0]=4 147 B6R0.6 CSCNCCI d531c5e507282acb11ff5d835981aa6c [0,0,1,0,0,0|3,0,0]=4 148 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [0,0,1,0,0,0|3,0,0]=4 149 B6R0.6 CSCNCCS b1c5df5844cf8935aabb3648e61465f2 [0,0,1,0,0,0|3,0,0]=4 150 B6R0.6 CSCOCCF 79adbc24d28c875ba839b99727b1e512 [0,0,1,0,0,0|3,0,0]=4 151 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [0,0,1,0,0,0|3,0,0]=4 152 B6R0.6 FCCCOCF 0d2e96eb165fd76b18d8df4690900872 [0,0,1,0,0,0|3,0,0]=4 153 B6R0.6 FCCNCCBr c0dd83437a27180e7ee1639145895f8f [0,0,1,0,0,0|3,0,0]=4 154 B6R0.6 FCCNCCF 6bada8e319adf5ac09144c46a4ecaa71 [0,0,1,0,0,0|3,0,0]=4 155 B6R0.6 FCCNCCI 6f97b887bfc0689337515f90a40660b8 [0,0,1,0,0,0|3,0,0]=4 156 B6R0.6 FCCNCCS 5771e4e946cf04a10b11168c2a26cfba [0,0,1,0,0,0|3,0,0]=4 157 B6R0.6 FCCOCCF 834b8c77ba6896712d1d6af7c59dbfbc [0,0,1,0,0,0|3,0,0]=4 158 B6R0.6 FCCOCCS e5c5db3e08a0f53018e2b973416b7c32 [0,0,1,0,0,0|3,0,0]=4 159 B6R0.6 FCNCCCCl 44349a2e6a1b6f1dc0f8b9fd71ed7936 [0,0,1,0,0,0|3,0,0]=4 160 B6R0.6 FCOCCCS d4006571dbef2280a4ff5f23f38e7165 [0,0,1,0,0,0|3,0,0]=4 161 B6R0.6 NOCCNCF 1c79587092c061e11e836d9fef4b4b74 [0,0,1,0,0,0|3,0,0]=4 162 B6R0.6 NOCCNCO 0cc9440611ac9dd9d9295e962a3dd39a [0,0,1,0,0,0|3,0,0]=4 163 B6R0.6 OCCCNCF d0f340a016e65bbf382f89af7024bb1f [0,0,1,0,0,0|3,0,0]=4 164 B6R0.6 OCCCNCO 61393d5d06c9202c0b94fa047d6ff099 [0,0,1,0,0,0|3,0,0]=4 165 B6R0.6 OCCNCCBr 0fc2af5bc6b566cb15b8698ad81d8a28 [0,0,1,0,0,0|3,0,0]=4 166 B6R0.6 OCCNCCF d8f328cc7923b202178773c12bcca59d [0,0,1,0,0,0|3,0,0]=4 167 B6R0.6 OCCNCCI 5ea510c923b7656c706e335f0707f13f [0,0,1,0,0,0|3,0,0]=4 168 B6R0.6 OCCNCCO 5ec55d5ff951afeb186b052871d5aed1 [0,0,1,0,0,0|3,0,0]=4 169 B6R0.6 OCCNCCS 3dc5bdb4440e31f22d01b06893c66b5e [0,0,1,0,0,0|3,0,0]=4 170 B6R0.6 OCNCCCCl b5a3a94f1af195c7e59393df3fce5e89 [0,0,1,0,0,0|3,0,0]=4 171 B6R0.6 SCCNCCBr c48d02c84e30a7b9706b2ad380ca4923 [0,0,1,0,0,0|3,0,0]=4 172 B6R0.6 SCCNCCI 36ec37d0883791420ffed69138b467d3 [0,0,1,0,0,0|3,0,0]=4 173 B6R0.6 SCCNCCS 69e177fa948b956df81550ba37304c74 [0,0,1,0,0,0|3,0,0]=4 174 B6R0.6 SCCOCCS 87c2cb04f9bb7dbaacc12a2547a6f936 [0,0,1,0,0,0|3,0,0]=4 175 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,0,1,0,0,0|2,0,0]=4 176 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,0,1,0,0,0|1,0,0]=3 177 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,0,1,0,0,0|2,0,0]=4 178 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,0,1,0,0,0|2,0,0]=4 179 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,0,1,0,0,0|1,0,0]=3 180 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,0,1,0,0,0|2,0,0]=4 181 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,0,1,0,0,0|2,0,0]=4 182 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,0,1,0,0,0|2,0,0]=4 183 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,0,1,0,0,0|2,0,0]=4 184 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,0,1,0,0,0|2,0,0]=4 185 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,0,1,0,0,0|2,0,0]=4 186 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,0,1,0,0,0|2,0,0]=4 187 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,0,1,0,0,0|2,0,0]=4 188 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,0,1,0,0,0|2,0,0]=4 189 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [1,0,1,0,0,0|2,0,0]=4 190 B7R0.2 CCC(C)NC(C)C 0cb605662148972b343a2865e41d2f95 [0,1,1,0,0,0|2,0,0]=4 191 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [0,1,1,0,0,0|2,0,0]=4 192 B7R0.2 CCN(C)CC(C)C b1801f5d5c3a2fe65e0c5338da1b288f [0,1,1,0,0,0|2,0,0]=4 193 B7R0.2 CCN(C)CC(C)O 22c796f149474196e01f5a861b83c652 [0,1,1,0,0,0|2,0,0]=4 194 B7R0.2 CCN(C)C[C@@H](C)O e1fc7c21afedf382169569842ae9d9da [0,1,1,0,0,0|2,0,0]=4 195 B7R0.2 CCN(C)C[C@H](C)O 2fe5de7e3e442679b65eac3f37bae166 [0,1,1,0,0,0|2,0,0]=4 196 B7R0.2 CC[C@@H](C)NC(C)C fbd46dfde63f10a9f545bd04d72d3565 [0,1,1,0,0,0|2,0,0]=4 197 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [0,1,1,0,0,0|2,0,0]=4 198 B7R0.2 CC[C@H](C)NC(C)C df85b8e0c4ded03d149c43327f4a7c4a [0,1,1,0,0,0|2,0,0]=4 199 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [0,1,1,0,0,0|2,0,0]=4 200 B7R0.3 CCC(C)CNCF b50ea40d2446dde4a785720e8c9ab76e [0,1,1,0,0,0|2,0,0]=4 201 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,1,1,0,0,0|2,0,0]=4 202 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [0,1,1,0,0,0|2,0,0]=4 203 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [0,1,1,0,0,0|2,0,0]=4 204 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [0,1,1,0,0,0|2,0,0]=4 205 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [0,1,1,0,0,0|2,0,0]=4 206 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,1,1,0,0,0|2,0,0]=4 207 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [0,1,1,0,0,0|2,0,0]=4 208 B7R0.3 CCC(C)NCOC 7706fa764743624f662862fda01b7a28 [0,1,1,0,0,0|2,0,0]=4 209 B7R0.3 CCC(C)NCSC c04eb7da5ed0a2a03e68485c2016666a [0,1,1,0,0,0|2,0,0]=4 210 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,1,1,0,0,0|2,0,0]=4 211 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,1,1,0,0,0|2,0,0]=4 212 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,1,1,0,0,0|2,0,0]=4 213 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,1,1,0,0,0|2,0,0]=4 214 B7R0.3 CCC(O)CNCF 7b1de8624516487080ebd1a2aadc352e [0,1,1,0,0,0|2,0,0]=4 215 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [0,1,1,0,0,0|2,0,0]=4 216 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [0,1,1,0,0,0|2,0,0]=4 217 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,1,1,0,0,0|1,0,1]=4 218 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,1,1,0,0,0|1,0,0]=3 219 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [0,1,1,0,0,0|2,0,0]=4 220 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,1,1,0,0,0|1,0,0]=3 221 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [0,1,1,0,0,0|2,0,0]=4 222 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,1,1,0,0,0|1,0,0]=3 223 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [0,1,1,0,0,0|2,0,0]=4 224 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,1,1,0,0,0|1,0,0]=3 225 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [0,1,1,0,0,0|2,0,0]=4 226 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [0,1,1,0,0,0|2,0,0]=4 227 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,1,1,0,0,0|1,0,0]=3 228 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,1,1,0,0,0|1,0,0]=3 229 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [0,1,1,0,0,0|2,0,0]=4 230 B7R0.3 CCN(C)CCCF 58d987982e58376deaac7a021f590114 [0,1,1,0,0,0|2,0,0]=4 231 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [0,1,1,0,0,0|2,0,0]=4 232 B7R0.3 CCN(C)CCCS 4332e180b042c428772cc564602cf5d6 [0,1,1,0,0,0|2,0,0]=4 233 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [0,1,1,0,0,0|2,0,0]=4 234 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [0,1,1,0,0,0|2,0,0]=4 235 B7R0.3 CCNCC(Br)CBr d36ffe1e96eb7cbab2cfb7f783eab3ca [0,1,1,0,0,0|2,0,0]=4 236 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [0,1,1,0,0,0|1,0,0]=3 237 B7R0.3 CCNCC(C)CO ded6e5c82cb05dc8e16cf8630e1ca3b5 [0,1,1,0,0,0|2,0,0]=4 238 B7R0.3 CCNCC(F)CO 117f22342a13aa75ee6537d043ca9a79 [0,1,1,0,0,0|2,0,0]=4 239 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [0,1,1,0,0,0|1,0,0]=3 240 B7R0.3 CCNCC(O)CO 912f6e9829a436a31980d4e7e51ccc17 [0,1,1,0,0,0|2,0,0]=4 241 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [0,1,1,0,0,0|1,0,0]=3 242 B7R0.3 CCNC[C@@H](C)OC 6e88fe4f7175c837d5238f2168d0e9a3 [0,1,1,0,0,0|2,0,0]=4 243 B7R0.3 CCNC[C@@H](F)CO 67c2661f5a7f3a3662b0ed433a86c18e [0,1,1,0,0,0|2,0,0]=4 244 B7R0.3 CCNC[C@@H](O)CO 3dd3012db0550f06ef7a0ae24c6afc49 [0,1,1,0,0,0|2,0,0]=4 245 B7R0.3 CCNC[C@H](C)CO ef051a7bca96170e9f6bad04a99231e7 [0,1,1,0,0,0|2,0,0]=4 246 B7R0.3 CCNC[C@H](C)OC 0584eeded494335d50fae9461e407d42 [0,1,1,0,0,0|2,0,0]=4 247 B7R0.3 CCNC[C@H](F)CO f2842022ba0aab28ac2537444b2b8a9e [0,1,1,0,0,0|2,0,0]=4 248 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [0,1,1,0,0,0|1,0,0]=3 249 B7R0.3 CCNC[C@H](O)CO f2bf6c02d84b0a754d29868d7e541576 [0,1,1,0,0,0|2,0,0]=4 250 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,1,1,0,0,0|1,0,1]=4 251 B7R0.3 CCOCC(Br)CBr 899bba2d1c5835949acb4e9662ed4011 [0,1,1,0,0,0|2,0,0]=4 252 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,1,1,0,0,0|1,0,0]=3 253 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [0,1,1,0,0,0|2,0,0]=4 254 B7R0.3 CCOCC(Cl)CCl 72c4c6886b79925133380a5669de62f5 [0,1,1,0,0,0|2,0,0]=4 255 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [0,1,1,0,0,0|2,0,0]=4 256 B7R0.3 CCOCN(C)CC 943ae7cd82ee7e4032615894df227ae8 [0,1,1,0,0,0|2,0,0]=4 257 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,1,1,0,0,0|1,0,0]=3 258 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [0,1,1,0,0,0|2,0,0]=4 259 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,1,1,0,0,0|1,0,0]=3 260 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [0,1,1,0,0,0|2,0,0]=4 261 B7R0.3 CC[C@@H](C)COCF 27ee9a97e87757a57bbd2473b47c8a0b [0,1,1,0,0,0|2,0,0]=4 262 B7R0.3 CC[C@@H](C)NCCF 93d07692499e3b9aec2552214e2ff53f [0,1,1,0,0,0|2,0,0]=4 263 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [0,1,1,0,0,0|2,0,0]=4 264 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [0,1,1,0,0,0|2,0,0]=4 265 B7R0.3 CC[C@@H](C)NCOC 6f18e43812c50f5929ea1f0282d55276 [0,1,1,0,0,0|2,0,0]=4 266 B7R0.3 CC[C@@H](C)NCSC b2ccc0121f9ed49266567b6f15a655a0 [0,1,1,0,0,0|2,0,0]=4 267 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,1,1,0,0,0|2,0,0]=4 268 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,1,1,0,0,0|2,0,0]=4 269 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,1,1,0,0,0|2,0,0]=4 270 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,1,1,0,0,0|2,0,0]=4 271 B7R0.3 CC[C@@H](O)CNCF 7d1b814c6cda97ec1056049a0891a12c [0,1,1,0,0,0|2,0,0]=4 272 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [0,1,1,0,0,0|2,0,0]=4 273 B7R0.3 CC[C@H](C)CNCF d271465589c016cce21e3753bb72dfde [0,1,1,0,0,0|2,0,0]=4 274 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [0,1,1,0,0,0|2,0,0]=4 275 B7R0.3 CC[C@H](C)COCF 4d1b50442964dee0f36120907b5bf9ca [0,1,1,0,0,0|2,0,0]=4 276 B7R0.3 CC[C@H](C)NCCF c11007e79ee49cb1e974e79b53eb68c8 [0,1,1,0,0,0|2,0,0]=4 277 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [0,1,1,0,0,0|2,0,0]=4 278 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [0,1,1,0,0,0|2,0,0]=4 279 B7R0.3 CC[C@H](C)NCOC 487baefd593a366fd401fe5a0b33d07a [0,1,1,0,0,0|2,0,0]=4 280 B7R0.3 CC[C@H](C)NCSC b4999c020810a33e4d86f949175dda2d [0,1,1,0,0,0|2,0,0]=4 281 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,1,1,0,0,0|2,0,0]=4 282 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,1,1,0,0,0|2,0,0]=4 283 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,1,1,0,0,0|2,0,0]=4 284 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,1,1,0,0,0|2,0,0]=4 285 B7R0.5 CCCN(C)C(C)C 3141e8fbdc6c20712cffde27068901ab [0,1,1,0,0,0|2,0,0]=4 286 B7R0.5 CCNC(C)C(C)C 6ff6c70a41ff0de8b891e50966ef9339 [0,1,1,0,0,0|2,0,0]=4 287 B7R0.5 CCNC(C)C(C)O 392d96cf423ba6d8f5882a82ddace883 [0,1,1,0,0,0|2,0,0]=4 288 B7R0.5 CCN[C@@H](C)C(C)C 54d4aa17c71caa18f971b7cc220c5c61 [0,1,1,0,0,0|2,0,0]=4 289 B7R0.5 CCN[C@H](C)C(C)C 26ce300d7da809c460e59e21a4343853 [0,1,1,0,0,0|2,0,0]=4 290 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [0,1,1,0,0,0|2,0,0]=4 291 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [0,1,1,0,0,0|2,0,0]=4 292 B7R0.5 CCO[C@@H](C)C(C)C 730945e6bcfbc2b11622279903eef1de [0,1,1,0,0,0|2,0,0]=4 293 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [0,1,1,0,0,0|2,0,0]=4 294 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [0,1,1,0,0,0|1,0,1]=4 295 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [0,1,1,0,0,0|1,0,0]=3 296 B7R0.7 CCCC(C)NCF 6fe7178c87e8240823259ce8a94eea0d [0,1,1,0,0,0|2,0,0]=4 297 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [0,1,1,0,0,0|2,0,0]=4 298 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,1,1,0,0,0|1,0,0]=3 299 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [0,1,1,0,0,0|2,0,0]=4 300 B7R0.7 CCCN(C)CCC e4ba1afb5991f60dfc5178c264d147ac [0,1,1,0,0,0|2,0,0]=4 301 B7R0.7 CCCN(C)CCF 20bdd855ba3f41de089f8838592d613e [0,1,1,0,0,0|2,0,0]=4 302 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [0,1,1,0,0,0|2,0,0]=4 303 B7R0.7 CCCN(C)CCS b66b0b7cd1a916850f3ad9b440f8c270 [0,1,1,0,0,0|2,0,0]=4 304 B7R0.7 CCCN(C)COC 1bec3c8fb3df3a096c65e4d1b6c5e3f1 [0,1,1,0,0,0|2,0,0]=4 305 B7R0.7 CCCN(C)CSC 08af67ba2c61bafd912a4ccbd1478a94 [0,1,1,0,0,0|2,0,0]=4 306 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,1,1,0,0,0|1,0,0]=3 307 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [0,1,1,0,0,0|2,0,0]=4 308 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [0,1,1,0,0,0|1,0,0]=3 309 B7R0.7 CCC[C@H](C)NCF bb5a2f2a6bcb2a0616cca7690ac17090 [0,1,1,0,0,0|2,0,0]=4 310 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [0,1,1,0,0,0|2,0,0]=4 311 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,1,1,0,0,0|1,0,0]=3 312 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [0,1,1,0,0,0|2,0,0]=4 313 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,1,1,0,0,0|2,0,0]=4 314 B7R0.7 CCNC(C)COC af3d09b9c16b18b44031a6b489b2fd56 [0,1,1,0,0,0|2,0,0]=4 315 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,1,1,0,0,0|2,0,0]=4 316 B7R0.7 CCN[C@@H](C)COC 3587673ce83b198299c531f233570bde [0,1,1,0,0,0|2,0,0]=4 317 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [0,1,1,0,0,0|2,0,0]=4 318 B7R0.7 CCN[C@H](C)COC 769259f23e0c7be858a9664721e9e588 [0,1,1,0,0,0|2,0,0]=4 319 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [0,1,1,0,0,0|2,0,0]=4 320 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,1,1,0,0,0|2,0,0]=4 321 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [0,1,1,0,0,0|2,0,0]=4 322 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [0,1,1,0,0,0|2,0,0]=4 323 B7R0.10 CCC(C)N(C)CC 7f98f3cb5d001a509589f6f457ffe6ca [0,1,1,0,0,0|2,0,0]=4 324 B7R0.11 CCNC(C)(C)CC adae57986ab49a20b402c3b11b898ff8 [0,1,1,0,0,0|2,0,0]=4 325 B7R0.12 C#CC(CC)OCC 6abeb838fcea8b6a2cba4e33dc1c0f32 [0,1,1,0,0,0|2,0,0]=4 326 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [0,1,1,0,0,0|2,0,0]=4 327 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [0,1,1,0,0,0|2,0,0]=4 328 B7R0.12 CCCN(CC)CC cee9a7f56e1e423b5ee592f89dcd5a79 [0,1,1,0,0,0|2,0,0]=4 329 B7R0.12 CCCN(CC)CF bb959a7f19e3a674eec89c0630b059f9 [0,1,1,0,0,0|2,0,0]=4 330 B7R0.12 CCCN(CC)CO 0db6153d76ded508e5655e9e69753d11 [0,1,1,0,0,0|2,0,0]=4 331 B7R0.12 CCNC(CC)CC dd1a7011b4f855f8c1ad87e5ad908f9a [0,1,1,0,0,0|2,0,0]=4 332 B7R0.12 CCNC(CC)CO 69eb8cb0bab039daf9654224be723bd4 [0,1,1,0,0,0|2,0,0]=4 333 B7R0.12 CCN[C@@H](CC)CO 58754a8a804d698e6257db6bc4cb95b3 [0,1,1,0,0,0|2,0,0]=4 334 B7R0.12 CCN[C@H](CC)CO 5b608cb220323f541c9afa99df78f847 [0,1,1,0,0,0|2,0,0]=4 335 B7R0.12 CCOC(C#N)CC 7e047b05d0e19c947a2b74261d14c997 [0,1,1,0,0,0|1,0,1]=4 336 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [0,1,1,0,0,0|2,0,0]=4 337 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,1,1,0,0,0|1,0,1]=4 338 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,1,1,0,0,0|1,0,1]=4 339 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,1,1,0,0,0|1,0,1]=4 340 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,1,1,0,0,0|1,0,1]=4 341 B7R0.4 CC(C)CCNCF 7f725eaafe57b21e0294a49a9a15ea60 [0,1,1,0,0,0|2,0,0]=4 342 B7R0.4 CC(C)CCNCO 55d154c6198aa4781c1600237013f9c3 [0,1,1,0,0,0|2,0,0]=4 343 B7R0.4 CC(C)CCOCF 5c4beb2cb4fc50a6f233dfe91cf9c945 [0,1,1,0,0,0|2,0,0]=4 344 B7R0.4 CC(C)CNCCBr 92559cb2ebacf0b0f5c92d38f861f670 [0,1,1,0,0,0|2,0,0]=4 345 B7R0.4 CC(C)CNCCF 14de296bc1a413c56debcce38ccc407f [0,1,1,0,0,0|2,0,0]=4 346 B7R0.4 CC(C)CNCCI 0dda19f31a767f7ffd847981f58c8b5f [0,1,1,0,0,0|2,0,0]=4 347 B7R0.4 CC(C)CNCCO bc40b3ae5c3a6adde3dd753071b81161 [0,1,1,0,0,0|2,0,0]=4 348 B7R0.4 CC(C)CNCCS 0f3531c02e7e4d73732ad308afcb17e1 [0,1,1,0,0,0|2,0,0]=4 349 B7R0.4 CC(C)COCCF 83bb949d8c551562556937d0600d6efb [0,1,1,0,0,0|2,0,0]=4 350 B7R0.4 CC(C)COCCS 84ea4ff8f634d7739886cdbaa6625a00 [0,1,1,0,0,0|2,0,0]=4 351 B7R0.4 CC(C)NCCCCl 1f7b6a1eb64f799a69aafcb62f78849f [0,1,1,0,0,0|2,0,0]=4 352 B7R0.4 CC(C)NCCCO 8da9f776dfc6acc6ee817ae96d2c50e4 [0,1,1,0,0,0|2,0,0]=4 353 B7R0.4 CC(C)OCCCF 4d070417a783226fcc67bd342ecf7613 [0,1,1,0,0,0|2,0,0]=4 354 B7R0.4 CC(C)OCCCS 3817134d1cec338c192448359f8580cb [0,1,1,0,0,0|2,0,0]=4 355 B7R0.4 CC(F)COCCF 116a6a3052c8de49db4f34ae9008ac78 [0,1,1,0,0,0|2,0,0]=4 356 B7R0.4 CC(F)COCCS 8d2984085a69d91abfeadd49afaeec93 [0,1,1,0,0,0|2,0,0]=4 357 B7R0.4 CC(O)CCNCF 89c40e30e417fcb37a374a94c2ef248d [0,1,1,0,0,0|2,0,0]=4 358 B7R0.4 CC(O)CCNCO 9f501543a06bdc8213f2c63cd9b34692 [0,1,1,0,0,0|2,0,0]=4 359 B7R0.4 CC(O)CNCCBr 154eb4d8643396dfb29e9b52415c8302 [0,1,1,0,0,0|2,0,0]=4 360 B7R0.4 CC(O)CNCCF 8d5077fa916d6fe4d2601be7b7e92fe0 [0,1,1,0,0,0|2,0,0]=4 361 B7R0.4 CC(O)CNCCI 066a03933ac8e01fd84516db90bd80b4 [0,1,1,0,0,0|2,0,0]=4 362 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [0,1,1,0,0,0|2,0,0]=4 363 B7R0.4 CC(O)CNCCS 460faff2bd822e3fb542bd4f386088ee [0,1,1,0,0,0|2,0,0]=4 364 B7R0.4 CC(S)COCCF c5074ee60aeb4c30ed588360445a5de7 [0,1,1,0,0,0|2,0,0]=4 365 B7R0.4 CC(S)COCCS 0983b2499bf7b6b754e79e2d709efcf5 [0,1,1,0,0,0|2,0,0]=4 366 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,1,1,0,0,0|1,0,1]=4 367 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [0,1,1,0,0,0|1,0,0]=3 368 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [0,1,1,0,0,0|1,0,0]=3 369 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,1,1,0,0,0|1,0,1]=4 370 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,1,1,0,0,0|1,0,1]=4 371 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [0,1,1,0,0,0|1,0,0]=3 372 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [0,1,1,0,0,0|1,0,0]=3 373 B7R0.4 CCCNCC(F)F 9022d4eca4bc1cbf6bdda2f9bb9ad264 [0,1,1,0,0,0|2,0,0]=4 374 B7R0.4 CCCNCN(C)C 6cfa8606f274157e5146a9a1a1e43db8 [0,1,1,0,0,0|2,0,0]=4 375 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [0,1,1,0,0,0|1,0,0]=3 376 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [0,1,1,0,0,0|1,0,0]=3 377 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,1,1,0,0,0|1,0,1]=4 378 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,1,1,0,0,0|1,0,1]=4 379 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [0,1,1,0,0,0|1,0,1]=4 380 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [0,1,1,0,0,0|1,0,0]=3 381 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [0,1,1,0,0,0|1,0,0]=3 382 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [0,1,1,0,0,0|1,0,0]=3 383 B7R0.4 CCCOCC(F)F 74563999b35ef7496664c1330d891527 [0,1,1,0,0,0|2,0,0]=4 384 B7R0.4 CCCOCN(C)C 36ffd2679676671661da29a84172c95d [0,1,1,0,0,0|2,0,0]=4 385 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [0,1,1,0,0,0|1,0,0]=3 386 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [0,1,1,0,0,0|1,0,0]=3 387 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,1,1,0,0,0|1,0,1]=4 388 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [0,1,1,0,0,0|1,0,1]=4 389 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [0,1,1,0,0,0|1,0,0]=3 390 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [0,1,1,0,0,0|1,0,0]=3 391 B7R0.4 CCNCCC(F)F 1930d2e5ffecbff29d9e715320f3d9d1 [0,1,1,0,0,0|2,0,0]=4 392 B7R0.4 CCNCCN(C)C 623f50aa4be9ebc8f28d6a0c3c6ed1a7 [0,1,1,0,0,0|2,0,0]=4 393 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [0,1,1,0,0,0|2,0,0]=4 394 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [0,1,1,0,0,0|1,0,0]=3 395 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [0,1,1,0,0,0|1,0,0]=3 396 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,1,1,0,0,0|1,0,1]=4 397 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,1,1,0,0,0|1,0,1]=4 398 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [0,1,1,0,0,0|1,0,0]=3 399 B7R0.4 CCOCCC(F)F 465ac5bfc94ba71d3501c35192443249 [0,1,1,0,0,0|2,0,0]=4 400 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [0,1,1,0,0,0|2,0,0]=4 401 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,1,1,0,0,0|2,0,0]=4 402 B7R0.4 CCOCOC(C)C fcb36bcabbd9c702db3bb59956b361ad [0,1,1,0,0,0|2,0,0]=4 403 B7R0.4 COCCNC(C)C 0e10ac0a5c18c9b5426d9b26a3199f23 [0,1,1,0,0,0|2,0,0]=4 404 B7R0.4 COCCOC(C)C 66ff9033a5dadbe3413ec342d9a7c9fe [0,1,1,0,0,0|2,0,0]=4 405 B7R0.4 COCNCC(C)C 8a41f842449ec7e26a630827b8975a34 [0,1,1,0,0,0|2,0,0]=4 406 B7R0.4 COCNCC(C)O 7cd2bebbda561fed9f8727c3c28ad38e [0,1,1,0,0,0|2,0,0]=4 407 B7R0.4 COCNC[C@@H](C)O 1cb4b03583e52c6b50718208a2374249 [0,1,1,0,0,0|2,0,0]=4 408 B7R0.4 COCNC[C@H](C)O f3446f550f05f70b23e0d39223deb3a4 [0,1,1,0,0,0|2,0,0]=4 409 B7R0.4 COCOCC(C)C 61a68151721001e97ead89f074e554c8 [0,1,1,0,0,0|2,0,0]=4 410 B7R0.4 COCOCC(C)F 8914da36a6668652f42dd48a2de189ef [0,1,1,0,0,0|2,0,0]=4 411 B7R0.4 COCOCC(C)S e066c7f9b17ffc4be78eeceab96a73b5 [0,1,1,0,0,0|2,0,0]=4 412 B7R0.4 COCOC[C@@H](C)F 6545045391d8f6ced82f2bf093ba89e0 [0,1,1,0,0,0|2,0,0]=4 413 B7R0.4 COCOC[C@H](C)F 79bbf51d9f1999e8364c46bd7028ac05 [0,1,1,0,0,0|2,0,0]=4 414 B7R0.4 CSCCNC(C)C 145dbc599c93a8d182d58abe78ded108 [0,1,1,0,0,0|2,0,0]=4 415 B7R0.4 CSCCOC(C)C 898b6e38b775cb6892ffe8b724ad6a1f [0,1,1,0,0,0|2,0,0]=4 416 B7R0.4 CSCNCC(C)C af947b38f43b5b920a6aa47378596e00 [0,1,1,0,0,0|2,0,0]=4 417 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [0,1,1,0,0,0|2,0,0]=4 418 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [0,1,1,0,0,0|2,0,0]=4 419 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [0,1,1,0,0,0|2,0,0]=4 420 B7R0.4 CSCOCC(C)C 2e75b1421641e4cf6bcc7f6e6907b733 [0,1,1,0,0,0|2,0,0]=4 421 B7R0.4 CSCOCC(C)F 53f1875474e3b9bdff910b92b60ba853 [0,1,1,0,0,0|2,0,0]=4 422 B7R0.4 CSCOCC(C)S f9be698c7d26541eb43c0e631766ae27 [0,1,1,0,0,0|2,0,0]=4 423 B7R0.4 CSCOC[C@@H](C)F 0136a6bbb00194305a65bf070cb3d15d [0,1,1,0,0,0|2,0,0]=4 424 B7R0.4 CSCOC[C@H](C)F 7813ba3f17ca085b20bd9c5ced200835 [0,1,1,0,0,0|2,0,0]=4 425 B7R0.4 C[C@@H](F)COCCF 3110bb67cbd1b2e85d385d6e3d35756e [0,1,1,0,0,0|2,0,0]=4 426 B7R0.4 C[C@@H](F)COCCS bfd1f029789b1190dba2ea5476759c7f [0,1,1,0,0,0|2,0,0]=4 427 B7R0.4 C[C@@H](O)CCNCF a171060e7cef636674fdc1d5de7e9c7f [0,1,1,0,0,0|2,0,0]=4 428 B7R0.4 C[C@@H](O)CCNCO 9ba5901b9598bb8b83a8e89d75299d06 [0,1,1,0,0,0|2,0,0]=4 429 B7R0.4 C[C@@H](O)CNCCBr 476a86534856a9aae2ef8f7279b31cfb [0,1,1,0,0,0|2,0,0]=4 430 B7R0.4 C[C@@H](O)CNCCF 87507f8dca39fc70cc21fdf67bae8912 [0,1,1,0,0,0|2,0,0]=4 431 B7R0.4 C[C@@H](O)CNCCI 9587776e701d797d457867258d4fc89b [0,1,1,0,0,0|2,0,0]=4 432 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [0,1,1,0,0,0|2,0,0]=4 433 B7R0.4 C[C@@H](O)CNCCS 36bf6989b461aa9b67b95a0edd91af08 [0,1,1,0,0,0|2,0,0]=4 434 B7R0.4 C[C@H](F)COCCF e0cc26a0b5d222012ac2289b3b46d0f6 [0,1,1,0,0,0|2,0,0]=4 435 B7R0.4 C[C@H](F)COCCS 2e8d8a893b1bd1c8bd8b5bd8050b0a6b [0,1,1,0,0,0|2,0,0]=4 436 B7R0.4 C[C@H](O)CCNCF cf7b969aa5132fd62a51c70fbb4e55b6 [0,1,1,0,0,0|2,0,0]=4 437 B7R0.4 C[C@H](O)CCNCO 0826a81a1bc46286726529223d9bf47c [0,1,1,0,0,0|2,0,0]=4 438 B7R0.4 C[C@H](O)CNCCBr d8130b56183e44282fb663631b483d0a [0,1,1,0,0,0|2,0,0]=4 439 B7R0.4 C[C@H](O)CNCCF 8a00c7ca22c55b9ee2846de53781405a [0,1,1,0,0,0|2,0,0]=4 440 B7R0.4 C[C@H](O)CNCCI 94327fd285e5b15f8455d211a6b18583 [0,1,1,0,0,0|2,0,0]=4 441 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [0,1,1,0,0,0|2,0,0]=4 442 B7R0.4 C[C@H](O)CNCCS a9946cdb75b18365d5d002024cd9bdf6 [0,1,1,0,0,0|2,0,0]=4 443 B7R0.6 CC(C)CNC(C)C 196a13ba094adf361c17685c0872f24d [0,1,1,0,0,0|2,0,0]=4 444 B7R0.6 CC(C)COC(C)C 77eecc331fd01778c375925278ff8a8b [0,1,1,0,0,0|2,0,0]=4 445 B7R0.6 CC(C)NC[C@@H](C)O 78cb9f10bba40f82bff406bb1347d28d [0,1,1,0,0,0|2,0,0]=4 446 B7R0.6 CC(C)NC[C@H](C)O 0239ae5afc06334e0336f0743f1e175c [0,1,1,0,0,0|2,0,0]=4 447 B7R0.6 CC(C)OC[C@@H](C)F 20a173ffcc76fe6afc30e0651bd85f9b [0,1,1,0,0,0|2,0,0]=4 448 B7R0.6 CC(C)OC[C@H](C)F 68e099b1d0df355662b96af0ef440aac [0,1,1,0,0,0|2,0,0]=4 449 B7R0.6 CC(F)COC(C)C 0baa8e540b95c92b06f0417877dbd740 [0,1,1,0,0,0|2,0,0]=4 450 B7R0.6 CC(O)CNC(C)C 67ac451099c111ca9b4a88e10960d432 [0,1,1,0,0,0|2,0,0]=4 451 B7R0.6 CC(S)COC(C)C 57c18a958d625f63860f9eb7db36a7e5 [0,1,1,0,0,0|2,0,0]=4 452 B7R0.8 CCCNC(C)(C)C 1cb59707d776cfed599d4d0bd4c6e7fe [0,1,1,0,0,0|2,0,0]=4 453 B7R0.8 CCNCC(C)(C)C 1a60db159250e75c4f3bd43804435dab [0,1,1,0,0,0|2,0,0]=4 454 B7R0.8 CCNCC(C)(C)O 3f0e3cd5306f6e0eea72b143c91acc39 [0,1,1,0,0,0|2,0,0]=4 455 B7R0.8 CCOCC(C)(C)Br c5fd84cd204c784fac27f51432de2345 [0,1,1,0,0,0|2,0,0]=4 456 B7R0.8 CCOCC(C)(C)C cbc6e6dff9d30de641f2a7020db5e172 [0,1,1,0,0,0|2,0,0]=4 457 B7R0.8 CCOCC(C)(C)F 4ceebf68b1b3af46558065e266734baa [0,1,1,0,0,0|2,0,0]=4 458 B7R0.8 CCOCC(C)(C)S a7e0d94172e2fed0c574a998a7210b49 [0,1,1,0,0,0|2,0,0]=4 459 B7R0.1 C#CCCCNCC 992d0e050b511d203d57e0da48d3e40a [0,1,1,0,0,0|1,0,1]=4 460 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [0,1,1,0,0,0|1,0,1]=4 461 B7R0.1 C#CCCNCCC 985891a1be5b6df9332ec92fc8ba9705 [0,1,1,0,0,0|1,0,1]=4 462 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [0,1,1,0,0,0|1,0,1]=4 463 B7R0.1 C#CCNCCCC 2174997efa32a525ba69ce874ecd5c71 [0,1,1,0,0,0|1,0,1]=4 464 B7R0.1 C#CCOCCCC ed4cfee8b145d86b8dc8812185cb69d7 [0,1,1,0,0,0|1,0,1]=4 465 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,1,1,0,0,0|1,0,1]=4 466 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,1,1,0,0,0|1,0,1]=4 467 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,1,1,0,0,0|1,0,1]=4 468 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,1,1,0,0,0|1,0,1]=4 469 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,1,1,0,0,0|1,0,1]=4 470 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,1,1,0,0,0|1,0,1]=4 471 B7R0.1 CCCCCNC#N 3741c8bad86bab083bc5d0a30e6bddc8 [0,1,1,0,0,0|0,0,2]=4 472 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [0,1,1,0,0,0|1,0,1]=4 473 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [0,1,1,0,0,0|1,0,0]=3 474 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [0,1,1,0,0,0|1,0,0]=3 475 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [0,1,1,0,0,0|1,0,0]=3 476 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [0,1,1,0,0,0|1,0,0]=3 477 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [0,1,1,0,0,0|1,0,0]=3 478 B7R0.1 CCCCNCC#N 076f54c0f29c99fe6d3ed9b29d359907 [0,1,1,0,0,0|0,0,2]=4 479 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,1,1,0,0,0|1,0,1]=4 480 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [0,1,1,0,0,0|1,0,0]=3 481 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [0,1,1,0,0,0|1,0,0]=3 482 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [0,1,1,0,0,0|1,0,0]=3 483 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [0,1,1,0,0,0|1,0,0]=3 484 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [0,1,1,0,0,0|1,0,0]=3 485 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [0,1,1,0,0,0|1,0,0]=3 486 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [0,1,1,0,0,0|2,0,0]=4 487 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [0,1,1,0,0,0|2,0,0]=4 488 B7R0.1 CCCCOCC#N dc85f7fa683b49a24bf8a0a97aaed99b [0,1,1,0,0,0|0,0,2]=4 489 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [0,1,1,0,0,0|1,0,1]=4 490 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [0,1,1,0,0,0|1,0,0]=3 491 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [0,1,1,0,0,0|1,0,0]=3 492 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [0,1,1,0,0,0|1,0,0]=3 493 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [0,1,1,0,0,0|2,0,0]=4 494 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [0,1,1,0,0,0|2,0,0]=4 495 B7R0.1 CCCNCCC#N e1599a2501e5939a529641f13b21e273 [0,1,1,0,0,0|0,0,2]=4 496 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,1,1,0,0,0|1,0,1]=4 497 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [0,1,1,0,0,0|1,0,0]=3 498 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [0,1,1,0,0,0|1,0,0]=3 499 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [0,1,1,0,0,0|1,0,0]=3 500 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [0,1,1,0,0,0|1,0,0]=3 501 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [0,1,1,0,0,0|2,0,0]=4 502 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [0,1,1,0,0,0|1,0,0]=3 503 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [0,1,1,0,0,0|2,0,0]=4 504 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [0,1,1,0,0,0|2,0,0]=4 505 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [0,1,1,0,0,0|0,0,2]=4 506 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,1,1,0,0,0|1,0,1]=4 507 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [0,1,1,0,0,0|1,0,0]=3 508 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [0,1,1,0,0,0|1,0,0]=3 509 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [0,1,1,0,0,0|2,0,0]=4 510 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [0,1,1,0,0,0|2,0,0]=4 511 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [0,1,1,0,0,0|2,0,0]=4 512 B7R0.1 CCNCCCC#N 3005d7a991c7154c0fa03cc1d0341956 [0,1,1,0,0,0|0,0,2]=4 513 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [0,1,1,0,0,0|1,0,0]=3 514 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [0,1,1,0,0,0|1,0,0]=3 515 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [0,1,1,0,0,0|1,0,0]=3 516 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [0,1,1,0,0,0|2,0,0]=4 517 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [0,1,1,0,0,0|2,0,0]=4 518 B7R0.1 CCNCCOCC e33ba910d026a1283fba761527911515 [0,1,1,0,0,0|2,0,0]=4 519 B7R0.1 CCNCCSCC edb2f0059a33d413061b7eb66b7302b3 [0,1,1,0,0,0|2,0,0]=4 520 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [0,1,1,0,0,0|0,0,2]=4 521 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,1,1,0,0,0|1,0,1]=4 522 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [0,1,1,0,0,0|1,0,0]=3 523 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [0,1,1,0,0,0|1,0,0]=3 524 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [0,1,1,0,0,0|2,0,0]=4 525 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [0,1,1,0,0,0|2,0,0]=4 526 B7R0.1 CCOCCNCF 192b9172bb386f67e6f22749157a2b40 [0,1,1,0,0,0|2,0,0]=4 527 B7R0.1 CCOCCNCO e2eefbd861380598dec880b760814d85 [0,1,1,0,0,0|2,0,0]=4 528 B7R0.1 CCOCCOCC 0e67836f7951e4d542cdaecda70d9cec [0,1,1,0,0,0|2,0,0]=4 529 B7R0.1 CCOCCOCF 480e61a3f34351f7f6b3989331094335 [0,1,1,0,0,0|2,0,0]=4 530 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [0,1,1,0,0,0|2,0,0]=4 531 B7R0.1 CCOCNCCBr 1827db2361912a3e925649aba42666a5 [0,1,1,0,0,0|2,0,0]=4 532 B7R0.1 CCOCNCCF b62ef1c74f3a371f515bff0f94e4a986 [0,1,1,0,0,0|2,0,0]=4 533 B7R0.1 CCOCNCCI dfc16f7c8e4cd71609ed0df3faf045e6 [0,1,1,0,0,0|2,0,0]=4 534 B7R0.1 CCOCNCCO f221c34d35f484f7601137254b505360 [0,1,1,0,0,0|2,0,0]=4 535 B7R0.1 CCOCNCCS 61cac2ef7667a598f9431aaf8578ce69 [0,1,1,0,0,0|2,0,0]=4 536 B7R0.1 CCOCOCCS f026d3a8c3aa4a6570f751e16a6f3578 [0,1,1,0,0,0|2,0,0]=4 537 B7R0.1 CCSCCNCF 1cb006aeda44e1ad18efcb0d926eca75 [0,1,1,0,0,0|2,0,0]=4 538 B7R0.1 CCSCCNCO d46776a8ac8e806badbf181dbecaf11f [0,1,1,0,0,0|2,0,0]=4 539 B7R0.1 CCSCCOCF 1f42e8881d9b6b5eaf1c6a145775650a [0,1,1,0,0,0|2,0,0]=4 540 B7R0.1 COCCCNCF 0de913c50fcf952c40c1eb9acd73fe8a [0,1,1,0,0,0|2,0,0]=4 541 B7R0.1 COCCCNCO 7f15d3e78e16ebdbf4dea7c28747923f [0,1,1,0,0,0|2,0,0]=4 542 B7R0.1 COCCCOCF 383f82bc810c552636ded41a86a82688 [0,1,1,0,0,0|2,0,0]=4 543 B7R0.1 COCCNCCBr 2c0ba12fa96886ef5fdb5581980e28f1 [0,1,1,0,0,0|2,0,0]=4 544 B7R0.1 COCCNCCF 6ecb1cffa67194968eb41c79846d8012 [0,1,1,0,0,0|2,0,0]=4 545 B7R0.1 COCCNCCI ed8d29688d82e189aba9361797d463b8 [0,1,1,0,0,0|2,0,0]=4 546 B7R0.1 COCCNCCO fc530150283f0a9894550a64892a4dcb [0,1,1,0,0,0|2,0,0]=4 547 B7R0.1 COCCNCCS c0a317f4b6286b56fe7eca7ac272c8f5 [0,1,1,0,0,0|2,0,0]=4 548 B7R0.1 COCCOCCF d9d67c9b64f4650916e8f6b281251603 [0,1,1,0,0,0|2,0,0]=4 549 B7R0.1 COCCOCCS 8f2426725fd10f0093a25980f3885bf6 [0,1,1,0,0,0|2,0,0]=4 550 B7R0.1 COCNCCCCl e11c6750f379b7dd0f2aa8aa12ea432c [0,1,1,0,0,0|2,0,0]=4 551 B7R0.1 COCNCCCO 514e51520c1fb8a1d3be4a389b10ee42 [0,1,1,0,0,0|2,0,0]=4 552 B7R0.1 COCNCCON e818b1642f9d5633402b5da4d1790fea [0,1,1,0,0,0|2,0,0]=4 553 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [0,1,1,0,0,0|2,0,0]=4 554 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [0,1,1,0,0,0|2,0,0]=4 555 B7R0.1 CSCCCNCF 64d1184992451aa1884493fe4b590a70 [0,1,1,0,0,0|2,0,0]=4 556 B7R0.1 CSCCCNCO 0e35ff7cab5ce9b5f1fe3019d22ea16e [0,1,1,0,0,0|2,0,0]=4 557 B7R0.1 CSCCCOCF cac4a2023f18fecfef532a4dd1cfe7d1 [0,1,1,0,0,0|2,0,0]=4 558 B7R0.1 CSCCNCCBr 0df0dd2a1b52ee00d918cc43b8e9fbfc [0,1,1,0,0,0|2,0,0]=4 559 B7R0.1 CSCCNCCF 1052905f572f53fc13be5d31c94895b3 [0,1,1,0,0,0|2,0,0]=4 560 B7R0.1 CSCCNCCI 071ae319a95453665d95a4320be239f1 [0,1,1,0,0,0|2,0,0]=4 561 B7R0.1 CSCCNCCO 98ea2c21875828fd22fee65d8b2ac707 [0,1,1,0,0,0|2,0,0]=4 562 B7R0.1 CSCCNCCS bdb5b2bb4b62742eac983ce8d1d9f54f [0,1,1,0,0,0|2,0,0]=4 563 B7R0.1 CSCCOCCF 6604e59cd9a52c5fe3d0c09fe9af7e44 [0,1,1,0,0,0|2,0,0]=4 564 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [0,1,1,0,0,0|2,0,0]=4 565 B7R0.1 CSCNCCCCl 51dabe46130ddcc5de8ce75223aaf6fb [0,1,1,0,0,0|2,0,0]=4 566 B7R0.1 CSCNCCCO f55eebe3b8375230b40b6450474c6b2b [0,1,1,0,0,0|2,0,0]=4 567 B7R0.1 CSCNCCON f945713b8e9f4296ef67e0e0bee29bdc [0,1,1,0,0,0|2,0,0]=4 568 B7R0.1 CSCOCCCF 60ff695173cadbfa45054bdc1853270f [0,1,1,0,0,0|2,0,0]=4 569 B7R0.1 CSCOCCCS 4435e9a90a047badb2b6d713e0445552 [0,1,1,0,0,0|2,0,0]=4 570 B7R0.1 FCCCCOCF aa349be2c27536d4cce8f169856f8ad3 [0,1,1,0,0,0|2,0,0]=4 571 B7R0.1 FCCCNCCBr 91600bc23ccdce017338e995a8c500e3 [0,1,1,0,0,0|2,0,0]=4 572 B7R0.1 FCCCNCCF 4d3919857ed95a42257c5d4363064175 [0,1,1,0,0,0|2,0,0]=4 573 B7R0.1 FCCCNCCI 1b37e2336b8934153a10fbca0dcac08a [0,1,1,0,0,0|2,0,0]=4 574 B7R0.1 FCCCNCCS aa9cf5baa1390498a4d22fc5bb56f9a3 [0,1,1,0,0,0|2,0,0]=4 575 B7R0.1 FCCCOCCF fca0942a564795f2da96aa3bdfc98a19 [0,1,1,0,0,0|2,0,0]=4 576 B7R0.1 FCCCOCCS 81bc46547292bbd00e5f82ac34ad84ba [0,1,1,0,0,0|2,0,0]=4 577 B7R0.1 FCCNCCCCl 66a40627c901d99d34adccc931cea448 [0,1,1,0,0,0|2,0,0]=4 578 B7R0.1 FCCNCCCS 1b80d3c194b1768a056ab7f50165e404 [0,1,1,0,0,0|2,0,0]=4 579 B7R0.1 FCCOCCCS c8ba8fe92c3ea035b23c022cec48d645 [0,1,1,0,0,0|2,0,0]=4 580 B7R0.1 FCNCCCCCl 1f62d148cf28827af64f05ab47d8a0d1 [0,1,1,0,0,0|2,0,0]=4 581 B7R0.1 FCNCCCCS 20de7e7c5ad02c9ab73f0feca6604233 [0,1,1,0,0,0|2,0,0]=4 582 B7R0.1 FCOCCCCS 2a152d1f18d97aad9e2418d39187145d [0,1,1,0,0,0|2,0,0]=4 583 B7R0.1 NOCCNCCF 9155179455f286a04fa8d7e0b1373ae4 [0,1,1,0,0,0|2,0,0]=4 584 B7R0.1 NOCCNCCO 316ac866d29370b4f25aba7013bd8afb [0,1,1,0,0,0|2,0,0]=4 585 B7R0.1 NOCCNCCS 36a77034ae90d4309a8810f6f29ee88c [0,1,1,0,0,0|2,0,0]=4 586 B7R0.1 OCCCCNCF 7e26da81cb202e81f9fa6935013ff164 [0,1,1,0,0,0|2,0,0]=4 587 B7R0.1 OCCCCNCO 3308a62177334006d69e4e812a481bb1 [0,1,1,0,0,0|2,0,0]=4 588 B7R0.1 OCCCNCCBr 298f76d93b4a56118785c24aabe36d03 [0,1,1,0,0,0|2,0,0]=4 589 B7R0.1 OCCCNCCF 160ffea2dd40155e84c24124da4d3bb5 [0,1,1,0,0,0|2,0,0]=4 590 B7R0.1 OCCCNCCI b0caa3b33126ba633de191e5b27be25d [0,1,1,0,0,0|2,0,0]=4 591 B7R0.1 OCCCNCCO b7e543e706324c7668084e51d2ac83f2 [0,1,1,0,0,0|2,0,0]=4 592 B7R0.1 OCCCNCCS a78d7d11eead19ac41bdcdfaa23aa4c3 [0,1,1,0,0,0|2,0,0]=4 593 B7R0.1 OCCNCCCCl 10a4c88cfa54a10eeb2391e86b7e00e5 [0,1,1,0,0,0|2,0,0]=4 594 B7R0.1 OCCNCCCF 91fb92031bfde2e9db842bc4e4a8eee4 [0,1,1,0,0,0|2,0,0]=4 595 B7R0.1 OCCNCCCS c5d3e46e0ec074044c852191bd32ce81 [0,1,1,0,0,0|2,0,0]=4 596 B7R0.1 OCNCCCCCl ca8e2c827cdc1f4b61ee0f17daccc9f0 [0,1,1,0,0,0|2,0,0]=4 597 B7R0.1 OCNCCCCS 703d007b8ef355c907943572af1839f8 [0,1,1,0,0,0|2,0,0]=4 598 B7R0.1 SCCCNCCBr c76d64532c3c4e30b8e88db0eb0574e0 [0,1,1,0,0,0|2,0,0]=4 599 B7R0.1 SCCCNCCI 9c2dc60770e500e6ef6356d791aa9449 [0,1,1,0,0,0|2,0,0]=4 600 B7R0.1 SCCCNCCS 6da2f9a140fa6ffc40782d51ddbbf523 [0,1,1,0,0,0|2,0,0]=4 601 B7R0.1 SCCCOCCS 51e8e4f1171e572a4260dbc376b0f4f6 [0,1,1,0,0,0|2,0,0]=4 602 B7R0.1 SCCNCCCCl f754f13d7aad8b18d312c4be1245ea2e [0,1,1,0,0,0|2,0,0]=4 603 B9R1.89 CCN1CCCCCC1 78f85fed93dd7010f5d48b439304c97c [0,1,0,0,0,1|2,0,0]=4 604 B9R1.89 CCN1CCCOCC1 b7637df7a376a0cc2a30d3c23838f678 [0,1,0,0,0,1|2,0,0]=4 605 B9R1.89 FCN1CCCCCC1 60c0199684985ea88d82a5db0516e27d [0,1,0,0,0,1|2,0,0]=4 606 B9R1.89 FCN1CCCOCC1 3c5ee395d952c7c8bca3f2bab6d60603 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.89 O=CN1CCCCCC1 4a543573026aecbb7f088b43cea970d5 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.89 O=CN1CCCOCC1 ac69421f50e86b391ee77e2bd7abf564 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.89 OCN1CCCCCC1 62c49bb1745f5c0f3dee14a3d4e5f5d5 [0,1,0,0,0,1|2,0,0]=4 610 B9R1.89 OCN1CCCOCC1 e5da19333e435076222444f0fc992871 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.1 CC1CCN(CC1)C=O cd1885c4b5a60655a81f4f7aac11f926 [0,2,0,0,0,0|2,0,0]=4 612 B9R1.1 CC1CCN(CC1)CF ba646efe21bea01afbd9f0784f1ddf69 [0,2,0,0,0,0|2,0,0]=4 613 B9R1.1 CC1CCN(CC1)CO 26b7dfa38ac2efd8f0c6b91628c67d49 [0,2,0,0,0,0|2,0,0]=4 614 B9R1.1 CCN1CCC(CC1)C a577c2cc6fb3debcbb948a1b7bbb62d2 [0,2,0,0,0,0|2,0,0]=4 615 B9R1.1 CCN1CCC(CC1)Cl 3956ea1f3ace4fa78a56626a2ff87699 [0,2,0,0,0,0|2,0,0]=4 616 B9R1.1 CCN1CCC(CC1)F 6a91477713620c575e23ba80546f7811 [0,2,0,0,0,0|2,0,0]=4 617 B9R1.1 CCN1CCC(CC1)I c954b3dcc5466efe509bdf2291379c31 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.1 CCN1CCC(CC1)O 4da5eaa0cc000ad7f1b24ad00a3ade1d [0,2,0,0,0,0|2,0,0]=4 619 B9R1.1 FCN1CCC(CC1)Cl a165c4a45e087277a8d7e227c8c747dd [0,2,0,0,0,0|2,0,0]=4 620 B9R1.1 FCN1CCC(CC1)F 3c6521aa7595091a40501967a4b6b255 [0,2,0,0,0,0|2,0,0]=4 621 B9R1.1 FCN1CCC(CC1)I baa5ba51c0447659d2f2190d7bfadc11 [0,2,0,0,0,0|2,0,0]=4 622 B9R1.1 O=CN1CCC(CC1)Cl 0f8885b1cbec326e72007210720ce685 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.1 O=CN1CCC(CC1)F a8375fcd63170cc85e942f6f795820d2 [0,2,0,0,0,0|2,0,0]=4 624 B9R1.1 O=CN1CCC(CC1)I 09840532f9aae62595854240e3123351 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.1 O=CN1CCC(CC1)O 9119fcb5a9f758b718576c8b3456fe09 [0,2,0,0,0,0|2,0,0]=4 626 B9R1.1 OC1CCN(CC1)CF 0e6bf0c37f3fe2afbf92a30fc3724715 [0,2,0,0,0,0|2,0,0]=4 627 B9R1.1 OCN1CCC(CC1)Cl 737658df764a220dd5cc1d26b1bde051 [0,2,0,0,0,0|2,0,0]=4 628 B9R1.1 OCN1CCC(CC1)F 2cd1b296555734462ecd117608b0f95f [0,2,0,0,0,0|2,0,0]=4 629 B9R1.1 OCN1CCC(CC1)I c5a53019f2579defd4a18520dfc32ef9 [0,2,0,0,0,0|2,0,0]=4 630 B9R1.1 OCN1CCC(CC1)O 8c9fdfb456137554f80d512222114412 [0,2,0,0,0,0|2,0,0]=4 631 B9R1.2 CC1CCCN(C1)C=O 5a06aa6b42e18f18aee9823269dae409 [0,2,0,0,0,0|2,0,0]=4 632 B9R1.2 CC1CCCN(C1)CF b691638e4475db7509438452c0a1551a [0,2,0,0,0,0|2,0,0]=4 633 B9R1.2 CC1CCCN(C1)CO 26652d230bcc9a1195d63435a97c512d [0,2,0,0,0,0|2,0,0]=4 634 B9R1.2 CCN1CCCC(C1)C bb28da9a5acb28960c4ccbfa24bf8789 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.2 CCN1CCCC(C1)F f34071e85de22867d954ce820be49898 [0,2,0,0,0,0|2,0,0]=4 636 B9R1.2 CCN1CCCC(C1)O 01dd02e5bf6117a7fa48ae871f4642c4 [0,2,0,0,0,0|2,0,0]=4 637 B9R1.2 CCN1CCC[C@@H](C1)C 60c8c16bbe3ec0bdd85a0ab469564b45 [0,2,0,0,0,0|2,0,0]=4 638 B9R1.2 CCN1CCC[C@@H](C1)F 4bc82a27cb24b8d929f4ba749eb6afe0 [0,2,0,0,0,0|2,0,0]=4 639 B9R1.2 CCN1CCC[C@@H](C1)O d6e6558187b53da928a88c93a11d40fa [0,2,0,0,0,0|2,0,0]=4 640 B9R1.2 CCN1CCC[C@H](C1)C 7a8da6e9090318009a7decadd340bca1 [0,2,0,0,0,0|2,0,0]=4 641 B9R1.2 CCN1CCC[C@H](C1)F 16c2e2d7a2b96adf6d95208ff0d9f05f [0,2,0,0,0,0|2,0,0]=4 642 B9R1.2 CCN1CCC[C@H](C1)O 9fb116abf81f3b2aa3dfe9efc1670b96 [0,2,0,0,0,0|2,0,0]=4 643 B9R1.2 C[C@@H]1CCCN(C1)C=O b5e680c9235a8f69b3718f41b577e428 [0,2,0,0,0,0|2,0,0]=4 644 B9R1.2 C[C@@H]1CCCN(C1)CF cac6b7b5fb4001646643abf50489bbdb [0,2,0,0,0,0|2,0,0]=4 645 B9R1.2 C[C@@H]1CCCN(C1)CO 6675ecf83c8b49544e3561e3282b0e83 [0,2,0,0,0,0|2,0,0]=4 646 B9R1.2 C[C@H]1CCCN(C1)C=O 4dab749a75683c45748ebdcac3ae2c8b [0,2,0,0,0,0|2,0,0]=4 647 B9R1.2 C[C@H]1CCCN(C1)CF c41858f8ae1d9653339e528e6cb2c0eb [0,2,0,0,0,0|2,0,0]=4 648 B9R1.2 C[C@H]1CCCN(C1)CO 612f7806a77df61f3b60bf95e73ba9e6 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.2 FCN1CCCC(C1)F 82519f4199c56ff234e45d04d55a74d4 [0,2,0,0,0,0|2,0,0]=4 650 B9R1.2 FCN1CCC[C@@H](C1)F f40dae0651dcf4cd6b3ab3203208d466 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.2 FCN1CCC[C@H](C1)F ea6001a32faacf160a7f22d56b28ce6a [0,2,0,0,0,0|2,0,0]=4 652 B9R1.2 O=CN1CCCC(C1)F 04917882399611fcb80fb86df59a89e2 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.2 O=CN1CCCC(C1)O 0df930667a84d8d3d91a613bfd57f133 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.2 O=CN1CCC[C@@H](C1)F 8bf0e6ef9ed8e1b7cb36e4499af92a58 [0,2,0,0,0,0|2,0,0]=4 655 B9R1.2 O=CN1CCC[C@@H](C1)O 50e0b44fd1f0b47772960747a9d4dc2e [0,2,0,0,0,0|2,0,0]=4 656 B9R1.2 O=CN1CCC[C@H](C1)F ec017dd9294189577b258dfb95fb493e [0,2,0,0,0,0|2,0,0]=4 657 B9R1.2 O=CN1CCC[C@H](C1)O 1099b25f2d4ea20dc0b6d23f3ff3e4f6 [0,2,0,0,0,0|2,0,0]=4 658 B9R1.2 OC1CCCN(C1)CF 4df59c67f1dddf0d33cb5fbf9fb2d841 [0,2,0,0,0,0|2,0,0]=4 659 B9R1.2 OCN1CCCC(C1)F c961438756a97ac71c25ac8244d6a7a3 [0,2,0,0,0,0|2,0,0]=4 660 B9R1.2 OCN1CCCC(C1)O a1a4b503369ffbeead5dbdfde67130ff [0,2,0,0,0,0|2,0,0]=4 661 B9R1.2 OCN1CCC[C@@H](C1)F 86e2abc91290abd055bfb691fa5f12d9 [0,2,0,0,0,0|2,0,0]=4 662 B9R1.2 OCN1CCC[C@@H](C1)O 44839fbaefbedf7952c40f3e445b2f37 [0,2,0,0,0,0|2,0,0]=4 663 B9R1.2 OCN1CCC[C@H](C1)F d473717ba6ccce88f32fe4c5f2bce4c0 [0,2,0,0,0,0|2,0,0]=4 664 B9R1.2 OCN1CCC[C@H](C1)O 958b5d72e374ab873500994771487a3a [0,2,0,0,0,0|2,0,0]=4 665 B9R1.2 O[C@@H]1CCCN(C1)CF 3a01270ddce23eb98da92fdec4d1eb7c [0,2,0,0,0,0|2,0,0]=4 666 B9R1.2 O[C@H]1CCCN(C1)CF 517eff8a3f41933ce4b79695b3ea6e98 [0,2,0,0,0,0|2,0,0]=4 667 B9R1.8 CCNC1C=CCCC1 381b66b498fdea5c28ca09d8304c5d3a [0,2,0,0,0,0|0,0,2]=4 668 B9R1.8 CCNC1CCCOC1 44e7a9c60ab74c80ef1160380a9b9fb7 [0,2,0,0,0,0|1,0,0]=3 669 B9R1.8 CCNC1CCOCC1 c0daf1fa4c1e38e303ccc560bdf15914 [0,2,0,0,0,0|1,0,0]=3 670 B9R1.8 CCNC1CCSCC1 e97705abb4309fae49cd9e4ef5264d02 [0,2,0,0,0,0|1,0,0]=3 671 B9R1.8 CCNC1CSCSC1 e2eef0013dcfae9b2a275b59a12e0f81 [0,2,0,0,0,0|2,0,0]=4 672 B9R1.8 CCN[C@@H]1CCCOC1 6c80b60090682b5fd207bb8d7a62fd53 [0,2,0,0,0,0|1,0,0]=3 673 B9R1.8 CCN[C@H]1CCCOC1 e5738a32ab8207497f49a57ad67aa158 [0,2,0,0,0,0|1,0,0]=3 674 B9R1.8 CCOC1CCCCC1 42d86f4740ed23d8e061935637b3e037 [0,2,0,0,0,0|1,0,0]=3 675 B9R1.8 CCOC1CCCCO1 c72d85277d313af8f6a59b457effacb6 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.8 CCOC1CCCOC1 28e0b80b41504c5ce6342a42ff1482ae [0,2,0,0,0,0|2,0,0]=4 677 B9R1.8 CCOC1CCCSC1 8f50cc38cd9825cb05861ebd8195f318 [0,2,0,0,0,0|2,0,0]=4 678 B9R1.8 CCOC1CCOCC1 fd86eef19d7eefde56e35a599458ddd0 [0,2,0,0,0,0|2,0,0]=4 679 B9R1.8 CCOC1CCSCC1 45ac356b0a4faae19c54a0a24f086ac8 [0,2,0,0,0,0|2,0,0]=4 680 B9R1.8 CCO[C@@H]1CCCOC1 e2635ce7ad18ae3f1004b0745c859319 [0,2,0,0,0,0|2,0,0]=4 681 B9R1.8 CCO[C@H]1CCCOC1 bd7b8624ac6ebefc862948904b1aa0ec [0,2,0,0,0,0|2,0,0]=4 682 B9R1.8 FCNC1C=CCCC1 a6c9055f0f7c2d63d4cffedb1b919b0e [0,2,0,0,0,0|0,0,2]=4 683 B9R1.8 FCNC1CCCOC1 f46187a4b9edf5a33dd858b3408cd5a5 [0,2,0,0,0,0|1,0,0]=3 684 B9R1.8 FCNC1CCOCC1 ba60a822ee7005232d0aaafd9a732ce1 [0,2,0,0,0,0|1,0,0]=3 685 B9R1.8 FCNC1CCSCC1 bbd033a1d8591e8ddb9d277245311f66 [0,2,0,0,0,0|1,0,0]=3 686 B9R1.8 FCNC1CSCSC1 75fe7f8e4669a23918d7802ffb6a9759 [0,2,0,0,0,0|2,0,0]=4 687 B9R1.8 FCN[C@@H]1CCCOC1 f1042be1dfa07d78f6bb0111244d5293 [0,2,0,0,0,0|1,0,0]=3 688 B9R1.8 FCN[C@H]1CCCOC1 9bb8cf9f44abdfdc0d1c6e67254f9e6e [0,2,0,0,0,0|1,0,0]=3 689 B9R1.8 FCOC1CCCCC1 c197a407df0a4ab8cd1695541dd8db87 [0,2,0,0,0,0|1,0,0]=3 690 B9R1.8 FCOC1CCCCO1 188437cec4861d522453fb2eaf58909a [0,2,0,0,0,0|2,0,0]=4 691 B9R1.8 FCOC1CCCOC1 cecf144bbbce7aae827e62950965aaeb [0,2,0,0,0,0|2,0,0]=4 692 B9R1.8 FCOC1CCCSC1 185ec015f5ea9a165c5fbcabb9d5d79d [0,2,0,0,0,0|2,0,0]=4 693 B9R1.8 FCOC1CCOCC1 32bd0c6fa2569051ca2b8decf137b167 [0,2,0,0,0,0|2,0,0]=4 694 B9R1.8 FCOC1CCSCC1 ffe07c58d9e9428e4fca6606dc29744c [0,2,0,0,0,0|2,0,0]=4 695 B9R1.8 FCO[C@@H]1CCCOC1 35c5c2a9d31bb0abca5942cca8109165 [0,2,0,0,0,0|2,0,0]=4 696 B9R1.8 FCO[C@H]1CCCOC1 92280d91891bf7567ce57feebf7ca29c [0,2,0,0,0,0|2,0,0]=4 697 B9R1.8 N#CNC1C=CCCC1 6046bc07e6200351c2d749ac53193073 [0,2,0,0,0,0|0,0,2]=4 698 B9R1.8 N#CNC1CCCCC1 14c8ce9cbe924ba6f271cfe05dd2a4e7 [0,2,0,0,0,0|0,0,0]=2 699 B9R1.8 N#CNC1CCCCO1 3c173c7271f9b9b84907a69d9ad45386 [0,2,0,0,0,0|1,0,0]=3 700 B9R1.8 N#CNC1CCCOC1 89461b43675736793478bfdba96b3baf [0,2,0,0,0,0|1,0,0]=3 701 B9R1.8 N#CNC1CCOCC1 1ba12704b631756d829c24b93a2a58ce [0,2,0,0,0,0|1,0,0]=3 702 B9R1.8 N#CNC1CCSCC1 0851e00a4bd7d0f5c66fa5fb0c593a03 [0,2,0,0,0,0|1,0,0]=3 703 B9R1.8 O=CNC1C=CCCC1 3b9c7cf73f1743de12a2aebb90ff96c3 [0,2,0,0,0,0|0,0,2]=4 704 B9R1.8 O=CNC1CCCOC1 230b24f50ce1e8c0a34eb41e94513599 [0,2,0,0,0,0|1,0,0]=3 705 B9R1.8 O=CNC1CCOCC1 e1b43468903b1fa23f622360e9159712 [0,2,0,0,0,0|1,0,0]=3 706 B9R1.8 O=CNC1CSCSC1 3f4ede79324d21ba3da383abbe568831 [0,2,0,0,0,0|2,0,0]=4 707 B9R1.8 O=CN[C@@H]1CCCOC1 83c33e90ba16c0a9e9741e4f12c1fbfc [0,2,0,0,0,0|1,0,0]=3 708 B9R1.8 O=CN[C@H]1CCCOC1 37e29b35f2ab9b94e3109d2bf0c29f79 [0,2,0,0,0,0|1,0,0]=3 709 B9R1.8 OCNC1C=CCCC1 1877ec9d2ea79131b01ea5cbad981f77 [0,2,0,0,0,0|0,0,2]=4 710 B9R1.8 OCNC1CCCOC1 1e46b72657889f1bc5f310e94cc9c168 [0,2,0,0,0,0|1,0,0]=3 711 B9R1.8 OCNC1CCOCC1 0f665587adf9b667221f2fa84d4b9472 [0,2,0,0,0,0|1,0,0]=3 712 B9R1.8 OCNC1CCSCC1 db5b731037ba4687f84dee5964616de0 [0,2,0,0,0,0|1,0,0]=3 713 B9R1.8 OCNC1CSCSC1 ce87c9cb321dd8fcccdc870fb4bbdc3d [0,2,0,0,0,0|2,0,0]=4 714 B9R1.8 OCN[C@@H]1CCCOC1 c945eddb3482423f8ee44c5f8e36f316 [0,2,0,0,0,0|1,0,0]=3 715 B9R1.8 OCN[C@H]1CCCOC1 ce9921cc8ee8caf462b02b7aa2785265 [0,2,0,0,0,0|1,0,0]=3 716 B9R1.15 CC1CCCCN1C=O 5edffbe7b981e62d376cf463cc81b5a0 [0,2,0,0,0,0|2,0,0]=4 717 B9R1.15 CC1CCCCN1CF d88c0fc977e244cef0165c65eaf60df6 [0,2,0,0,0,0|2,0,0]=4 718 B9R1.15 CC1CCCCN1CO 51fa6066fe243cadf796064968abed1d [0,2,0,0,0,0|2,0,0]=4 719 B9R1.15 CCN1CCCCC1C 28e743f092b5d55e839b70e50dc82b80 [0,2,0,0,0,0|2,0,0]=4 720 B9R1.15 CCN1CCCC[C@@H]1C d0a42fe80f49390641bb4a8e5e43e1b0 [0,2,0,0,0,0|2,0,0]=4 721 B9R1.15 CCN1CCCC[C@H]1C 61ad9d261f1361a702e2f429d28a7219 [0,2,0,0,0,0|2,0,0]=4 722 B9R1.15 C[C@@H]1CCCCN1C=O a3eec1c9235da9d654fdc4f1cd619716 [0,2,0,0,0,0|2,0,0]=4 723 B9R1.15 C[C@@H]1CCCCN1CF f954ea957f61bd82bd8819d1554013e8 [0,2,0,0,0,0|2,0,0]=4 724 B9R1.15 C[C@@H]1CCCCN1CO 48a916b223b43cd97604cd793c27c7ee [0,2,0,0,0,0|2,0,0]=4 725 B9R1.15 C[C@H]1CCCCN1C=O ca092eb4253ff1332fa8641d72ce7d5e [0,2,0,0,0,0|2,0,0]=4 726 B9R1.15 C[C@H]1CCCCN1CF 4b526ffb905b85ad6875d291622a9b36 [0,2,0,0,0,0|2,0,0]=4 727 B9R1.15 C[C@H]1CCCCN1CO c9f51543a38eb85e2bdab1d085a77a87 [0,2,0,0,0,0|2,0,0]=4 728 B7R1.5 CCNC1CC1C f508b0aca7d0eee090ca628f208f8e9f [0,0,1,1,0,0|2,0,0]=4 729 B7R1.6 CCCN1CCC1 a259a8722cbac8bcd506f8443743eda0 [0,0,1,1,0,0|2,0,0]=4 730 B7R1.6 CCNC1CCC1 70dad6b0302b94a460da5136f772c3a8 [0,0,1,1,0,0|2,0,0]=4 731 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [0,0,1,1,0,0|2,0,0]=4 732 B7R1.21 CCNC1(CC1)C 49ee171fcc771c5e16d08c11c421eefd [0,0,1,1,0,0|2,0,0]=4 733 B7R1.22 CCN(C)C1CC1 476aa428dda8fdb06e16725a89d0042d [0,0,1,1,0,0|2,0,0]=4 734 B7R1.7 CCCNC1CC1 ccd7cbe1c58ebed6997b07f91e0c6017 [0,0,1,1,0,0|2,0,0]=4 735 B7R1.7 CCCOC1CC1 1605df6110acb8784adb6061f4289edf [0,0,1,1,0,0|2,0,0]=4 736 B7R1.7 CCNCC1CC1 94bf8bf2338afb688443da3f753f1292 [0,0,1,1,0,0|2,0,0]=4 737 B7R1.7 CCOCC1CC1 744f8109a21f695c28440e411c1b9ca0 [0,0,1,1,0,0|2,0,0]=4 738 B7R1.18 CC(C)N1CCC1 d44ed514bb3d90dbfe71cc985ec56a8b [0,0,1,1,0,0|2,0,0]=4 739 B7R1.20 CC(C)NC1CC1 42821cd4935984c3074bdbd29bffeb6b [0,0,1,1,0,0|2,0,0]=4 740 B7R1.20 CC(C)OC1CC1 2ba1c960117d477fcaacedd25b727831 [0,0,1,1,0,0|2,0,0]=4 741 B7R1.23 CCN1CC1(C)C c470c4a7bc80dec5721690a60993dfb1 [0,0,1,1,0,0|2,0,0]=4 742 B9R2.47 CCN1CC2CC2C1 25ae7fd177c6a619ed6164ece7e8af76 [0,1,0,1,0,0|2,0,0]=4 743 B9R2.47 FCN1CC2CC2C1 381dc7f7c3dd099e7605a6eb8cc5e79d [0,1,0,1,0,0|2,0,0]=4 744 B9R2.47 O=CN1CC2CC2C1 36a8f9666de0b344dd5d7bcd36723907 [0,1,0,1,0,0|2,0,0]=4 745 B9R2.47 OCN1CC2CC2C1 7f16e421cd39bf318fbc714ca9cd9da3 [0,1,0,1,0,0|2,0,0]=4 746 B9R2.65 CCN1C2C1CCC2 305e132c1644b79dc8fa8512b5e08859 [0,1,0,1,0,0|2,0,0]=4 747 B9R2.65 FCN1C2C1CCC2 cfb10e0381449f3dfd829c7521c0f431 [0,1,0,1,0,0|2,0,0]=4 748 B9R2.65 O=CN1C2C1CCC2 35dd2a078e80056fcadb05b73d230f9b [0,1,0,1,0,0|2,0,0]=4 749 B9R2.65 OCN1C2C1CCC2 32cf0761919225ef1634d9ee19fdf48b [0,1,0,1,0,0|2,0,0]=4 750 B9R2.70 CCN1CCC2C1C2 66d424168df4e7add8984d95d79b979b [0,1,0,1,0,0|2,0,0]=4 751 B9R2.70 FCN1CCC2C1C2 ccb9d4f4ae8483c628f52a8b2a94c2be [0,1,0,1,0,0|2,0,0]=4 752 B9R2.70 O=CN1CCC2C1C2 d206edc137cc271c5c4fc8f637217354 [0,1,0,1,0,0|2,0,0]=4 753 B9R2.70 OCN1CCC2C1C2 ce192980a14c1f557ad7d784c55e2315 [0,1,0,1,0,0|2,0,0]=4