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=CN1CC=CCC1 abda8c9c434a5ad8486bfd366e58ea03 [0,1,0,0,0,0|1,0,2]=4 9 B8R1.2 O=CN1CCCOC1 f5641b081c81baeb630a926cccc2dad9 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.2 O=CN1CCCSC1 02efafcaba189386286d3d47585eb111 [0,1,0,0,0,0|2,0,0]=3 11 B8R1.2 O=CN1CCOCC1 477872453b181b061009dc05da1525e4 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.2 O=CN1CCSCC1 ef4056096863dc4bdb0fd1df8e6f14a0 [0,1,0,0,0,0|2,0,0]=3 13 B8R1.2 OCN1CCCOC1 5d3795378d3cf5e5400d928253cd75c6 [0,1,0,0,0,0|2,0,1]=4 14 B8R1.2 OCN1CCCSC1 29a305b970bef8ec6ed20eb90ae3d8b0 [0,1,0,0,0,0|2,0,1]=4 15 B8R1.2 OCN1CCOCC1 3c0de8397d4dab0c1377ef06b9b6455d [0,1,0,0,0,0|2,0,1]=4 16 B8R1.2 OCN1CCSCC1 4d391d2b8bcebf873f589c97ea63c0e7 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.1 CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [0,0,1,0,0,0|2,0,1]=4 18 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,0,1,0,0,0|2,0,0]=3 19 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [0,0,1,0,0,0|3,0,0]=4 20 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,0,1,0,0,0|3,0,0]=4 21 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [0,0,1,0,0,0|3,0,0]=4 22 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [0,0,1,0,0,0|3,0,0]=4 23 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [0,0,1,0,0,0|3,0,0]=4 24 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [0,0,1,0,0,0|3,0,0]=4 25 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [0,0,1,0,0,0|3,0,0]=4 26 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,0,1,0,0,0|2,0,1]=4 27 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,0,1,0,0,0|2,0,1]=4 28 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,0,1,0,0,0|2,0,1]=4 29 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,0,1,0,0,0|2,0,1]=4 30 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,0,1,0,0,0|2,0,1]=4 31 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,0,1,0,0,0|2,0,1]=4 32 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,0,1,0,0,0|1,0,2]=4 33 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [0,0,1,0,0,0|2,0,1]=4 34 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [0,0,1,0,0,0|2,0,1]=4 35 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,0,1,0,0,0|2,0,0]=3 36 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,0,1,0,0,0|3,0,0]=4 37 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,0,1,0,0,0|3,0,0]=4 38 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,0,1,0,0,0|2,0,0]=3 39 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,0,1,0,0,0|3,0,0]=4 40 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [0,0,1,0,0,0|2,0,1]=4 41 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [0,0,1,0,0,0|2,0,1]=4 42 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [0,0,1,0,0,0|2,0,1]=4 43 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,0,1,0,0,0|2,0,1]=4 44 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,0,1,0,0,0|2,0,0]=3 45 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,0,1,0,0,0|2,0,0]=3 46 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,0,1,0,0,0|2,0,0]=3 47 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,0,1,0,0,0|2,0,1]=4 48 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,0,1,0,0,0|2,0,0]=3 49 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,0,1,0,0,0|2,0,0]=3 50 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,0,1,0,0,0|2,0,0]=3 51 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,0,1,0,0,0|2,0,0]=3 52 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,0,1,0,0,0|2,0,0]=3 53 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,0,1,0,0,0|1,0,0]=2 54 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [0,0,1,0,0,0|2,0,1]=4 55 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [0,0,1,0,0,0|2,0,1]=4 56 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,0,1,0,0,0|1,0,0]=2 57 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,0,1,0,0,0|2,0,0]=3 58 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,0,1,0,0,0|2,0,0]=3 59 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [0,0,1,0,0,0|2,0,1]=4 60 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [0,0,1,0,0,0|1,0,2]=4 61 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [0,0,1,0,0,0|1,0,2]=4 62 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [0,0,1,0,0,0|1,0,2]=4 63 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,0,1,0,0,0|1,0,0]=2 64 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,0,1,0,0,0|2,0,0]=3 65 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,0,1,0,0,0|2,0,0]=3 66 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [0,0,1,0,0,0|2,1,0]=4 67 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [0,0,1,0,0,0|2,0,1]=4 68 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [0,0,1,0,0,0|2,0,1]=4 69 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [0,0,1,0,0,0|1,1,1]=4 70 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [0,0,1,0,0,0|3,0,0]=4 71 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [0,0,1,0,0,0|2,0,1]=4 72 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [0,0,1,0,0,0|2,0,1]=4 73 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,0,1,0,0,0|3,0,0]=4 74 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,0,1,0,0,0|3,0,0]=4 75 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,0,1,0,0,0|3,0,0]=4 76 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,0,1,0,0,0|3,0,0]=4 77 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,0,1,0,0,0|3,0,0]=4 78 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,0,1,0,0,0|3,0,0]=4 79 B6R0.6 C#CCCNC=O aa269773c8a959e33bab616c22811c21 [0,0,1,0,0,0|1,0,2]=4 80 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [0,0,1,0,0,0|2,0,1]=4 81 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [0,0,1,0,0,0|2,0,1]=4 82 B6R0.6 C#CCNCC=O 2d271f91af459c7d98ae98c96855a1c5 [0,0,1,0,0,0|1,0,2]=4 83 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [0,0,1,0,0,0|2,0,1]=4 84 B6R0.6 C#CCOCC=O 83c8c50ba7b73a19d193c552cc20f1a0 [0,0,1,0,0,0|1,0,2]=4 85 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [0,0,1,0,0,0|2,0,1]=4 86 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [0,0,1,0,0,0|2,0,1]=4 87 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [0,0,1,0,0,0|2,0,1]=4 88 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [0,0,1,0,0,0|1,0,2]=4 89 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [0,0,1,0,0,0|2,0,0]=3 90 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [0,0,1,0,0,0|3,0,0]=4 91 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [0,0,1,0,0,0|3,0,0]=4 92 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [0,0,1,0,0,0|2,0,0]=3 93 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [0,0,1,0,0,0|3,0,0]=4 94 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [0,0,1,0,0,0|3,0,0]=4 95 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [0,0,1,0,0,0|2,0,0]=3 96 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [0,0,1,0,0,0|3,0,0]=4 97 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [0,0,1,0,0,0|3,0,0]=4 98 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [0,0,1,0,0,0|3,0,0]=4 99 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [0,0,1,0,0,0|3,0,0]=4 100 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [0,0,1,0,0,0|2,0,0]=3 101 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [0,0,1,0,0,0|3,0,0]=4 102 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [0,0,1,0,0,0|3,0,0]=4 103 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [0,0,1,0,0,0|3,0,0]=4 104 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [0,0,1,0,0,0|1,0,2]=4 105 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [0,0,1,0,0,0|2,0,1]=4 106 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [0,0,1,0,0,0|2,0,1]=4 107 B6R0.6 CCCCNC#N 2fcfe24b87d3fb74c30aadce76da6bba [0,0,1,0,0,0|2,0,1]=4 108 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [0,0,1,0,0,0|1,0,0]=2 109 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [0,0,1,0,0,0|2,0,1]=4 110 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [0,0,1,0,0,0|2,0,1]=4 111 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [0,0,1,0,0,0|1,0,2]=4 112 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [0,0,1,0,0,0|2,0,1]=4 113 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [0,0,1,0,0,0|2,0,1]=4 114 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [0,0,1,0,0,0|2,0,1]=4 115 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [0,0,1,0,0,0|1,0,0]=2 116 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [0,0,1,0,0,0|2,0,1]=4 117 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [0,0,1,0,0,0|2,0,1]=4 118 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [0,0,1,0,0,0|2,0,1]=4 119 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [0,0,1,0,0,0|2,0,1]=4 120 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [0,0,1,0,0,0|1,0,2]=4 121 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [0,0,1,0,0,0|1,1,1]=4 122 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [0,0,1,0,0,0|3,0,0]=4 123 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [0,0,1,0,0,0|3,0,0]=4 124 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [0,0,1,0,0,0|2,0,1]=4 125 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [0,0,1,0,0,0|1,0,0]=2 126 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [0,0,1,0,0,0|2,0,1]=4 127 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [0,0,1,0,0,0|2,0,1]=4 128 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [0,0,1,0,0,0|1,1,1]=4 129 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [0,0,1,0,0,0|3,0,0]=4 130 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [0,0,1,0,0,0|3,0,0]=4 131 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [0,0,1,0,0,0|2,0,1]=4 132 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [0,0,1,0,0,0|2,0,1]=4 133 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [0,0,1,0,0,0|1,0,2]=4 134 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [0,0,1,0,0,0|3,0,0]=4 135 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [0,0,1,0,0,0|3,0,0]=4 136 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [0,0,1,0,0,0|3,0,0]=4 137 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [0,0,1,0,0,0|2,0,1]=4 138 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [0,0,1,0,0,0|2,0,1]=4 139 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [0,0,1,0,0,0|2,0,1]=4 140 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [0,0,1,0,0,0|1,0,0]=2 141 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [0,0,1,0,0,0|2,0,1]=4 142 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [0,0,1,0,0,0|1,1,1]=4 143 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [0,0,1,0,0,0|3,0,0]=4 144 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [0,0,1,0,0,0|3,0,0]=4 145 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [0,0,1,0,0,0|2,0,0]=3 146 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [0,0,1,0,0,0|2,0,0]=3 147 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [0,0,1,0,0,0|2,0,0]=3 148 B6R0.6 N#CCCNC=O ead702b50681892f7399896cd641fd6d [0,0,1,0,0,0|2,0,1]=4 149 B6R0.6 N#CCNCC=O 93c0064fad5c9e69de8dec7109df1460 [0,0,1,0,0,0|2,0,1]=4 150 B6R0.6 N#CCOCC=O abfc35e6464ed045d6375eb9d16c50eb [0,0,1,0,0,0|2,0,1]=4 151 B6R0.6 N#CNCCC=O db43936b11d02fdbc9f7aaa7e8de9214 [0,0,1,0,0,0|2,0,1]=4 152 B6R0.6 NOCCNC=O 3cd8cf494bfdeac35a731656d378f284 [0,0,1,0,0,0|3,0,0]=4 153 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [0,0,1,0,0,0|2,0,0]=3 154 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [0,0,1,0,0,0|2,0,0]=3 155 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [0,0,1,0,0,0|2,0,0]=3 156 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [0,0,1,0,0,0|2,0,0]=3 157 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [0,0,1,0,0,0|2,0,0]=3 158 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [0,0,1,0,0,0|2,0,0]=3 159 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [0,0,1,0,0,0|2,0,0]=3 160 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [0,0,1,0,0,0|2,0,0]=3 161 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [0,0,1,0,0,0|2,0,0]=3 162 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [0,0,1,0,0,0|2,0,0]=3 163 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,1,0,0,0|1,0,0]=3 164 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,0,1,0,0,0|1,0,0]=3 165 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,0,1,0,0,0|2,0,0]=4 166 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,0,1,0,0,0|1,0,1]=4 167 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,0,1,0,0,0|1,0,0]=3 168 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,0,1,0,0,0|2,0,0]=4 169 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,0,1,0,0,0|2,0,0]=4 170 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,0,1,0,0,0|2,0,0]=4 171 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,0,1,0,0,0|2,0,0]=4 172 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,0,1,0,0,0|1,0,1]=4 173 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,0,1,0,0,0|1,1,0]=4 174 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,0,1,0,0,0|2,0,0]=4 175 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,0,1,0,0,0|1,1,0]=4 176 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,0,1,0,0,0|2,0,0]=4 177 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,0,1,0,0,0|2,0,0]=4 178 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,0,1,0,0,0|2,0,0]=4 179 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,0,1,0,0,0|2,0,0]=4 180 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,0,1,0,0,0|2,0,0]=4 181 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,0,1,0,0,0|2,0,0]=4 182 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [1,0,1,0,0,0|2,0,0]=4 183 B7R0.2 CCN(C)CC(C)C b1801f5d5c3a2fe65e0c5338da1b288f [0,1,1,0,0,0|2,0,0]=4 184 B7R0.2 CCN(C)CC(C)O 22c796f149474196e01f5a861b83c652 [0,1,1,0,0,0|2,0,0]=4 185 B7R0.2 CCN(C)C[C@@H](C)O e1fc7c21afedf382169569842ae9d9da [0,1,1,0,0,0|2,0,0]=4 186 B7R0.2 CCN(C)C[C@H](C)O 2fe5de7e3e442679b65eac3f37bae166 [0,1,1,0,0,0|2,0,0]=4 187 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,1,1,0,0,0|0,0,2]=4 188 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [0,1,1,0,0,0|0,0,2]=4 189 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,1,1,0,0,0|0,0,2]=4 190 B7R0.3 CCC(=O)CNC#N 5c4d1d2cbca480d29fea538bd5160350 [0,1,1,0,0,0|1,0,1]=4 191 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,1,1,0,0,0|1,0,0]=3 192 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [0,1,1,0,0,0|1,0,1]=4 193 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,1,1,0,0,0|1,0,0]=3 194 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,1,1,0,0,0|1,0,0]=3 195 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,1,1,0,0,0|1,0,0]=3 196 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,1,1,0,0,0|1,0,0]=3 197 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,1,1,0,0,0|1,0,0]=3 198 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [0,1,1,0,0,0|2,0,0]=4 199 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,1,1,0,0,0|1,0,1]=4 200 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,1,1,0,0,0|0,0,0]=2 201 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,1,1,0,0,0|1,0,0]=3 202 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,1,1,0,0,0|1,0,0]=3 203 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,1,1,0,0,0|1,0,0]=3 204 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,1,1,0,0,0|1,0,1]=4 205 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,1,1,0,0,0|1,0,1]=4 206 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,1,1,0,0,0|1,0,1]=4 207 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,1,1,0,0,0|1,0,1]=4 208 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,1,1,0,0,0|1,0,1]=4 209 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,1,1,0,0,0|1,0,1]=4 210 B7R0.3 CCN(C)CCCF 58d987982e58376deaac7a021f590114 [0,1,1,0,0,0|2,0,0]=4 211 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [0,1,1,0,0,0|2,0,0]=4 212 B7R0.3 CCN(C)CCCS 4332e180b042c428772cc564602cf5d6 [0,1,1,0,0,0|2,0,0]=4 213 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [0,1,1,0,0,0|2,0,0]=4 214 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [0,1,1,0,0,0|2,0,0]=4 215 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,1,1,0,0,0|1,0,0]=3 216 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,1,1,0,0,0|2,0,0]=4 217 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,1,1,0,0,0|1,0,0]=3 218 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [0,1,1,0,0,0|1,0,1]=4 219 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [0,1,1,0,0,0|0,0,2]=4 220 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [0,1,1,0,0,0|1,0,1]=4 221 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [0,1,1,0,0,0|0,0,2]=4 222 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,1,1,0,0,0|0,0,0]=2 223 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,1,1,0,0,0|1,0,0]=3 224 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,1,1,0,0,0|1,0,0]=3 225 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,1,1,0,0,0|1,0,1]=4 226 B7R0.3 CCOCN(C)CC 943ae7cd82ee7e4032615894df227ae8 [0,1,1,0,0,0|2,0,0]=4 227 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,1,1,0,0,0|1,0,1]=4 228 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,1,1,0,0,0|1,0,1]=4 229 B7R0.3 CNC(=O)CNCF d5935a4dfdc95c99073aff1d972a237b [0,1,1,0,0,0|2,0,0]=4 230 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,1,1,0,0,0|2,0,0]=4 231 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [0,1,1,0,0,0|2,0,0]=4 232 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [0,1,1,0,0,0|2,0,0]=4 233 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,1,1,0,0,0|2,0,0]=4 234 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [0,1,1,0,0,0|2,0,0]=4 235 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,1,1,0,0,0|2,0,0]=4 236 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,1,1,0,0,0|2,0,0]=4 237 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,1,1,0,0,0|2,0,0]=4 238 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,1,1,0,0,0|2,0,0]=4 239 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,1,1,0,0,0|2,0,0]=4 240 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,1,1,0,0,0|2,0,0]=4 241 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,1,1,0,0,0|2,0,0]=4 242 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,1,1,0,0,0|2,0,0]=4 243 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,1,1,0,0,0|2,0,0]=4 244 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,1,1,0,0,0|2,0,0]=4 245 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,1,1,0,0,0|2,0,0]=4 246 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,1,1,0,0,0|2,0,0]=4 247 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,1,1,0,0,0|2,0,0]=4 248 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,1,1,0,0,0|2,0,0]=4 249 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,1,1,0,0,0|2,0,0]=4 250 B7R0.5 CCCN(C)C(C)C 3141e8fbdc6c20712cffde27068901ab [0,1,1,0,0,0|2,0,0]=4 251 B7R0.7 CCCC(=O)NC#N 766b016c5624be50103f3a22e25698f4 [0,1,1,0,0,0|1,0,1]=4 252 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [0,1,1,0,0,0|0,1,0]=3 253 B7R0.7 CCCC(=S)OCF 8dc901968f3491ced45b3f4cde755440 [0,1,1,0,0,0|1,1,0]=4 254 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [0,1,1,0,0,0|1,0,1]=4 255 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,1,1,0,0,0|1,0,1]=4 256 B7R0.7 CCCN(C)CCC e4ba1afb5991f60dfc5178c264d147ac [0,1,1,0,0,0|2,0,0]=4 257 B7R0.7 CCCN(C)CCF 20bdd855ba3f41de089f8838592d613e [0,1,1,0,0,0|2,0,0]=4 258 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [0,1,1,0,0,0|2,0,0]=4 259 B7R0.7 CCCN(C)CCS b66b0b7cd1a916850f3ad9b440f8c270 [0,1,1,0,0,0|2,0,0]=4 260 B7R0.7 CCCN(C)COC 1bec3c8fb3df3a096c65e4d1b6c5e3f1 [0,1,1,0,0,0|2,0,0]=4 261 B7R0.7 CCCN(C)CSC 08af67ba2c61bafd912a4ccbd1478a94 [0,1,1,0,0,0|2,0,0]=4 262 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,1,1,0,0,0|1,0,1]=4 263 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [0,1,1,0,0,0|1,0,1]=4 264 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,1,1,0,0,0|1,0,1]=4 265 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [0,1,1,0,0,0|1,0,0]=3 266 B7R0.10 CCC(C)N(C)CC 7f98f3cb5d001a509589f6f457ffe6ca [0,1,1,0,0,0|2,0,0]=4 267 B7R0.10 CCN(C)C(=O)CF 54aaf1a54644f658afd3f400769d8763 [0,1,1,0,0,0|2,0,0]=4 268 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [0,1,1,0,0,0|2,0,0]=4 269 B7R0.10 CCN(C)C(=O)CS 733bcf40a4acbb7ca1e0cf3589cee1e7 [0,1,1,0,0,0|2,0,0]=4 270 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [0,1,1,0,0,0|1,0,0]=3 271 B7R0.12 CCCN(CC)CC cee9a7f56e1e423b5ee592f89dcd5a79 [0,1,1,0,0,0|2,0,0]=4 272 B7R0.12 CCCN(CC)CF bb959a7f19e3a674eec89c0630b059f9 [0,1,1,0,0,0|2,0,0]=4 273 B7R0.12 CCCN(CC)CO 0db6153d76ded508e5655e9e69753d11 [0,1,1,0,0,0|1,0,1]=4 274 B7R0.12 CCN(C=O)CCCl 03512ce3018e8845973ab6d439faef81 [0,1,1,0,0,0|2,0,0]=4 275 B7R0.12 CCN(C=O)CCO f06d113e63228ddd0fbad99b8e842127 [0,1,1,0,0,0|2,0,0]=4 276 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [0,1,1,0,0,0|0,0,2]=4 277 B7R0.4 C#CCNCC(=O)C 5de972c5592516dd50641220afa1c072 [0,1,1,0,0,0|0,0,2]=4 278 B7R0.4 C#CCOCC(=O)C a3c93320b56e3e358d63fbc9e6735009 [0,1,1,0,0,0|0,0,2]=4 279 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [0,1,1,0,0,0|1,0,1]=4 280 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [0,1,1,0,0,0|1,0,1]=4 281 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [0,1,1,0,0,0|1,0,1]=4 282 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,1,1,0,0,0|1,0,0]=3 283 B7R0.4 C=C(C)CCNCF d9277e4b518036e504534a47b4d2c8d3 [0,1,1,0,0,0|2,0,0]=4 284 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [0,1,1,0,0,0|2,0,0]=4 285 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,1,1,0,0,0|1,0,0]=3 286 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [0,1,1,0,0,0|2,0,0]=4 287 B7R0.4 C=C(C)CNCCBr 2a71f14abd6d980bb31a1c9bc14c70f0 [0,1,1,0,0,0|2,0,0]=4 288 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,1,1,0,0,0|1,0,0]=3 289 B7R0.4 C=C(C)CNCCF 147c63cc249cacaac64968cb85a45eaf [0,1,1,0,0,0|2,0,0]=4 290 B7R0.4 C=C(C)CNCCI 5db841d6ee2087586757d7c691268e13 [0,1,1,0,0,0|2,0,0]=4 291 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [0,1,1,0,0,0|2,0,0]=4 292 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [0,1,1,0,0,0|2,0,0]=4 293 B7R0.4 C=C(C)CNCOC 56824e1f14264a8b23f8809f8827c008 [0,1,1,0,0,0|2,0,0]=4 294 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [0,1,1,0,0,0|2,0,0]=4 295 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,1,1,0,0,0|1,0,0]=3 296 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [0,1,1,0,0,0|2,0,0]=4 297 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [0,1,1,0,0,0|2,0,0]=4 298 B7R0.4 C=C(C)COCOC 43819766e7dcc16b61a9eda64a28704b [0,1,1,0,0,0|2,0,0]=4 299 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [0,1,1,0,0,0|2,0,0]=4 300 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [0,1,1,0,0,0|1,0,1]=4 301 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [0,1,1,0,0,0|1,0,1]=4 302 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [0,1,1,0,0,0|1,0,1]=4 303 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [0,1,1,0,0,0|1,0,1]=4 304 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [0,1,1,0,0,0|1,0,1]=4 305 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [0,1,1,0,0,0|0,0,2]=4 306 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [0,1,1,0,0,0|0,0,2]=4 307 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [0,1,1,0,0,0|0,0,2]=4 308 B7R0.4 CC#CCNC(=O)C 0b9b1f8c1419bc28dc48ec1c6507ca3d [0,1,1,0,0,0|0,0,2]=4 309 B7R0.4 CC(=O)CCNC#N 4c80be72e90144dac156b66101e47221 [0,1,1,0,0,0|1,0,1]=4 310 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,1,1,0,0,0|1,0,0]=3 311 B7R0.4 CC(=O)CNCC#N 3143039d9319d06def2c85775b65f22b [0,1,1,0,0,0|1,0,1]=4 312 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [0,1,1,0,0,0|1,0,1]=4 313 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,1,1,0,0,0|1,0,0]=3 314 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,1,1,0,0,0|1,0,0]=3 315 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,1,1,0,0,0|1,0,0]=3 316 B7R0.4 CC(=O)COCC#N f6d942d7fed48c56b84b1cfe40ac78c5 [0,1,1,0,0,0|1,0,1]=4 317 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [0,1,1,0,0,0|1,0,1]=4 318 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,1,1,0,0,0|1,0,0]=3 319 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,1,1,0,0,0|1,0,0]=3 320 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [0,1,1,0,0,0|1,0,1]=4 321 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,1,1,0,0,0|1,0,0]=3 322 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,1,1,0,0,0|1,0,0]=3 323 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [0,1,1,0,0,0|2,0,0]=4 324 B7R0.4 CC(=O)NCOCF bbf9571051543191a8870eae955bf479 [0,1,1,0,0,0|2,0,0]=4 325 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [0,1,1,0,0,0|0,0,2]=4 326 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,1,1,0,0,0|0,0,0]=2 327 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [0,1,1,0,0,0|1,0,1]=4 328 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [0,1,1,0,0,0|1,0,1]=4 329 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,1,1,0,0,0|0,0,0]=2 330 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,1,1,0,0,0|1,0,0]=3 331 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,1,1,0,0,0|1,0,0]=3 332 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [0,1,1,0,0,0|1,0,1]=4 333 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [0,1,1,0,0,0|0,0,2]=4 334 B7R0.4 CCCNCN(C)C 6cfa8606f274157e5146a9a1a1e43db8 [0,1,1,0,0,0|2,0,0]=4 335 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [0,1,1,0,0,0|0,0,2]=4 336 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [0,1,1,0,0,0|0,0,2]=4 337 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [0,1,1,0,0,0|2,0,0]=4 338 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,1,1,0,0,0|0,0,0]=2 339 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,1,1,0,0,0|1,0,0]=3 340 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,1,1,0,0,0|1,0,0]=3 341 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [0,1,1,0,0,0|1,1,0]=4 342 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [0,1,1,0,0,0|1,0,1]=4 343 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [0,1,1,0,0,0|1,0,1]=4 344 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [0,1,1,0,0,0|0,1,1]=4 345 B7R0.4 CCCOCN(C)C 36ffd2679676671661da29a84172c95d [0,1,1,0,0,0|2,0,0]=4 346 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [0,1,1,0,0,0|2,0,0]=4 347 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [0,1,1,0,0,0|1,0,1]=4 348 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [0,1,1,0,0,0|1,0,1]=4 349 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [0,1,1,0,0,0|2,0,0]=4 350 B7R0.4 CCNCC=C(C)C babbecd9a4b03d10475bf665994a7cc4 [0,1,1,0,0,0|1,0,1]=4 351 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,1,1,0,0,0|1,0,0]=3 352 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,1,1,0,0,0|1,0,0]=3 353 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [0,1,1,0,0,0|1,1,0]=4 354 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [0,1,1,0,0,0|1,0,1]=4 355 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [0,1,1,0,0,0|0,0,2]=4 356 B7R0.4 CCNCCN(C)C 623f50aa4be9ebc8f28d6a0c3c6ed1a7 [0,1,1,0,0,0|2,0,0]=4 357 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [0,1,1,0,0,0|1,0,0]=3 358 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [0,1,1,0,0,0|2,0,0]=4 359 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [0,1,1,0,0,0|0,0,2]=4 360 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [0,1,1,0,0,0|0,0,2]=4 361 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [0,1,1,0,0,0|1,0,1]=4 362 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [0,1,1,0,0,0|1,0,1]=4 363 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [0,1,1,0,0,0|1,0,1]=4 364 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [0,1,1,0,0,0|1,0,1]=4 365 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,1,1,0,0,0|0,0,0]=2 366 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,1,1,0,0,0|1,0,0]=3 367 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,1,1,0,0,0|1,0,0]=3 368 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [0,1,1,0,0,0|1,0,1]=4 369 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [0,1,1,0,0,0|2,0,0]=4 370 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,1,1,0,0,0|1,0,0]=3 371 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [0,1,1,0,0,0|2,0,0]=4 372 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [0,1,1,0,0,0|1,0,0]=3 373 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [0,1,1,0,0,0|2,0,0]=4 374 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [0,1,1,0,0,0|1,0,0]=3 375 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,1,1,0,0,0|1,0,0]=3 376 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [0,1,1,0,0,0|2,0,0]=4 377 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,1,1,0,0,0|2,0,0]=4 378 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,1,1,0,0,0|1,0,0]=3 379 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [0,1,1,0,0,0|2,0,0]=4 380 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,1,1,0,0,0|2,0,0]=4 381 B7R0.4 CS(=O)CCNCF d9c1484515d26db91a75e89c525299ec [0,1,1,0,0,0|2,0,0]=4 382 B7R0.4 CS(=O)CCNCO fdcf9e99993e02a092ff2e9d4ac90523 [0,1,1,0,0,0|2,0,0]=4 383 B7R0.4 CS(=O)CCOCF 834c76934e51318a147a2d0ae2e7b4a6 [0,1,1,0,0,0|2,0,0]=4 384 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,1,1,0,0,0|1,0,0]=3 385 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,1,1,0,0,0|1,0,0]=3 386 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,1,1,0,0,0|2,0,0]=4 387 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,1,1,0,0,0|2,0,0]=4 388 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,1,1,0,0,0|1,0,0]=3 389 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,1,1,0,0,0|2,0,0]=4 390 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,1,1,0,0,0|2,0,0]=4 391 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,1,1,0,0,0|2,0,0]=4 392 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,1,1,0,0,0|2,0,0]=4 393 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,1,1,0,0,0|2,0,0]=4 394 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,1,1,0,0,0|2,0,0]=4 395 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,1,1,0,0,0|2,0,0]=4 396 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,1,1,0,0,0|2,0,0]=4 397 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,1,1,0,0,0|2,0,0]=4 398 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,1,1,0,0,0|2,0,0]=4 399 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [0,1,1,0,0,0|2,0,0]=4 400 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [0,1,1,0,0,0|2,0,0]=4 401 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,1,1,0,0,0|2,0,0]=4 402 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,1,1,0,0,0|2,0,0]=4 403 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,1,1,0,0,0|2,0,0]=4 404 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,1,1,0,0,0|2,0,0]=4 405 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,1,1,0,0,0|2,0,0]=4 406 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,1,1,0,0,0|2,0,0]=4 407 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,1,1,0,0,0|2,0,0]=4 408 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,1,1,0,0,0|2,0,0]=4 409 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,1,1,0,0,0|2,0,0]=4 410 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,1,1,0,0,0|2,0,0]=4 411 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [0,1,1,0,0,0|1,0,1]=4 412 B7R0.6 C=C(C)CNC(C)C a1a7325d3d8a8203023e8236e36cdc1a [0,1,1,0,0,0|2,0,0]=4 413 B7R0.6 C=C(C)COC(C)C 1163708fe8e5f25f773925b58859ae9a [0,1,1,0,0,0|2,0,0]=4 414 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,1,1,0,0,0|1,0,1]=4 415 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,1,1,0,0,0|1,0,0]=3 416 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,1,1,0,0,0|1,0,0]=3 417 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,1,1,0,0,0|1,0,0]=3 418 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,1,1,0,0,0|1,0,0]=3 419 B7R0.6 CC(=O)NCC(F)F 959be05a9a4844ba21e7e7426b42132e [0,1,1,0,0,0|2,0,0]=4 420 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,1,1,0,0,0|1,0,0]=3 421 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,1,1,0,0,0|1,0,0]=3 422 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,1,1,0,0,0|2,0,0]=4 423 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,1,1,0,0,0|2,0,0]=4 424 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,1,1,0,0,0|2,0,0]=4 425 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,1,1,0,0,0|2,0,0]=4 426 B7R0.1 C#CCCCNC=O 5eda6030f597033b63ed4419962aef56 [0,1,1,0,0,0|0,0,2]=4 427 B7R0.1 C#CCCCNCC 992d0e050b511d203d57e0da48d3e40a [0,1,1,0,0,0|1,0,1]=4 428 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [0,1,1,0,0,0|1,0,1]=4 429 B7R0.1 C#CCCNCC=O 16b88da3a2d7872fd426d7c300d70129 [0,1,1,0,0,0|0,0,2]=4 430 B7R0.1 C#CCCNCCC 985891a1be5b6df9332ec92fc8ba9705 [0,1,1,0,0,0|1,0,1]=4 431 B7R0.1 C#CCCOCC=O a3696b61f345ee7931522dafcfd6d6eb [0,1,1,0,0,0|0,0,2]=4 432 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [0,1,1,0,0,0|1,0,1]=4 433 B7R0.1 C#CCNCCC=O aa50e43a719e790522524abe3f128d7c [0,1,1,0,0,0|0,0,2]=4 434 B7R0.1 C#CCNCCCC 2174997efa32a525ba69ce874ecd5c71 [0,1,1,0,0,0|1,0,1]=4 435 B7R0.1 C#CCOCCC=O 7d8bf0924e81c8ef7599df2290cf84d5 [0,1,1,0,0,0|0,0,2]=4 436 B7R0.1 C#CCOCCCC ed4cfee8b145d86b8dc8812185cb69d7 [0,1,1,0,0,0|1,0,1]=4 437 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [0,1,1,0,0,0|1,0,1]=4 438 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,1,1,0,0,0|1,0,1]=4 439 B7R0.1 C/C=C/COCC=O a04196aefd24112eb562a3e675cacb10 [0,1,1,0,0,0|0,0,2]=4 440 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,1,1,0,0,0|1,0,1]=4 441 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,1,1,0,0,0|1,0,1]=4 442 B7R0.1 C/C=C\COCC=O 5966da7a2bd6e7b944d12afa3bfd6d4d [0,1,1,0,0,0|0,0,2]=4 443 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,1,1,0,0,0|1,0,1]=4 444 B7R0.1 C=C=CCCOCC 2fb6478edb447db1fe191c89327c683f [0,1,1,0,0,0|2,0,0]=4 445 B7R0.1 C=CCCCNC=O 1cec4421bae4af7df60106eb6ddcfad0 [0,1,1,0,0,0|0,0,2]=4 446 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,1,1,0,0,0|1,0,0]=3 447 B7R0.1 C=CCCCNCF cb97b40f9334e05f8372c88939939ba7 [0,1,1,0,0,0|2,0,0]=4 448 B7R0.1 C=CCCCNCO bc1d764ba3fbc6d320ac3a3650c1927a [0,1,1,0,0,0|2,0,0]=4 449 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,1,1,0,0,0|1,0,0]=3 450 B7R0.1 C=CCCCOCF 9150f48496bbc264836807a58dabf768 [0,1,1,0,0,0|2,0,0]=4 451 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [0,1,1,0,0,0|0,0,2]=4 452 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [0,1,1,0,0,0|2,0,0]=4 453 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,1,1,0,0,0|1,0,0]=3 454 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [0,1,1,0,0,0|2,0,0]=4 455 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [0,1,1,0,0,0|2,0,0]=4 456 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [0,1,1,0,0,0|2,0,0]=4 457 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [0,1,1,0,0,0|2,0,0]=4 458 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [0,1,1,0,0,0|2,0,0]=4 459 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,1,1,0,0,0|2,0,0]=4 460 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [0,1,1,0,0,0|0,0,2]=4 461 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,1,1,0,0,0|1,0,0]=3 462 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [0,1,1,0,0,0|2,0,0]=4 463 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [0,1,1,0,0,0|2,0,0]=4 464 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [0,1,1,0,0,0|2,0,0]=4 465 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,1,1,0,0,0|2,0,0]=4 466 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,1,1,0,0,0|1,0,0]=3 467 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [0,1,1,0,0,0|2,0,0]=4 468 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,1,1,0,0,0|2,0,0]=4 469 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [0,1,1,0,0,0|2,0,0]=4 470 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,1,1,0,0,0|2,0,0]=4 471 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [0,1,1,0,0,0|0,0,2]=4 472 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,1,1,0,0,0|1,0,0]=3 473 B7R0.1 C=CCOCCCF 40b041b2892fed99cdc75dfb733702a2 [0,1,1,0,0,0|2,0,0]=4 474 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [0,1,1,0,0,0|2,0,0]=4 475 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [0,1,1,0,0,0|2,0,0]=4 476 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [0,1,1,0,0,0|2,0,0]=4 477 B7R0.1 C=COCCNCC e376510fa630867a53db8435ac1e7531 [0,1,1,0,0,0|2,0,0]=4 478 B7R0.1 C=COCCOCC d9229c17186e0b503ee0d758327ee4d9 [0,1,1,0,0,0|2,0,0]=4 479 B7R0.1 CC#CCNCC=O 3b9af0779acfe3ab0ba04aa531b5bc50 [0,1,1,0,0,0|0,0,2]=4 480 B7R0.1 CC#CCOCC=O 6443b8424b1ac8fb6cb8727e1a03de95 [0,1,1,0,0,0|0,0,2]=4 481 B7R0.1 CC=CCNCC=O 5d9538246e7192cf7f10ceb0474b57c9 [0,1,1,0,0,0|0,0,2]=4 482 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,1,1,0,0,0|1,0,1]=4 483 B7R0.1 CC=CCOCC=O 98aa3aa2b695c739d9bf5f08ad0f7dbd [0,1,1,0,0,0|0,0,2]=4 484 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,1,1,0,0,0|1,0,1]=4 485 B7R0.1 CCCCCNC#N 3741c8bad86bab083bc5d0a30e6bddc8 [0,1,1,0,0,0|1,0,1]=4 486 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [0,1,1,0,0,0|0,0,0]=2 487 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [0,1,1,0,0,0|1,0,1]=4 488 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [0,1,1,0,0,0|1,0,1]=4 489 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [0,1,1,0,0,0|0,0,2]=4 490 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [0,1,1,0,0,0|1,0,1]=4 491 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [0,1,1,0,0,0|1,0,1]=4 492 B7R0.1 CCCCNCC#N 076f54c0f29c99fe6d3ed9b29d359907 [0,1,1,0,0,0|1,0,1]=4 493 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,1,1,0,0,0|0,0,0]=2 494 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [0,1,1,0,0,0|1,0,1]=4 495 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [0,1,1,0,0,0|1,0,1]=4 496 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [0,1,1,0,0,0|1,0,1]=4 497 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [0,1,1,0,0,0|1,0,1]=4 498 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [0,1,1,0,0,0|0,0,2]=4 499 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [0,1,1,0,0,0|0,1,1]=4 500 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [0,1,1,0,0,0|2,0,0]=4 501 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [0,1,1,0,0,0|2,0,0]=4 502 B7R0.1 CCCCOCC#N dc85f7fa683b49a24bf8a0a97aaed99b [0,1,1,0,0,0|1,0,1]=4 503 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [0,1,1,0,0,0|0,0,0]=2 504 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [0,1,1,0,0,0|1,0,1]=4 505 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [0,1,1,0,0,0|1,0,1]=4 506 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [0,1,1,0,0,0|0,1,1]=4 507 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [0,1,1,0,0,0|2,0,0]=4 508 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [0,1,1,0,0,0|2,0,0]=4 509 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [0,1,1,0,0,0|1,0,1]=4 510 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [0,1,1,0,0,0|1,0,1]=4 511 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,1,1,0,0,0|0,0,2]=4 512 B7R0.1 CCCNCCC#N e1599a2501e5939a529641f13b21e273 [0,1,1,0,0,0|1,0,1]=4 513 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,1,1,0,0,0|0,0,0]=2 514 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [0,1,1,0,0,0|1,0,1]=4 515 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [0,1,1,0,0,0|1,0,1]=4 516 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [0,1,1,0,0,0|0,0,2]=4 517 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [0,1,1,0,0,0|0,1,1]=4 518 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [0,1,1,0,0,0|2,0,0]=4 519 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [0,1,1,0,0,0|2,0,0]=4 520 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [0,1,1,0,0,0|2,0,0]=4 521 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [0,1,1,0,0,0|1,0,1]=4 522 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [0,1,1,0,0,0|1,0,1]=4 523 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [0,1,1,0,0,0|1,0,1]=4 524 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [0,1,1,0,0,0|1,0,1]=4 525 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,1,1,0,0,0|0,0,0]=2 526 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [0,1,1,0,0,0|1,0,1]=4 527 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [0,1,1,0,0,0|0,1,1]=4 528 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [0,1,1,0,0,0|2,0,0]=4 529 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [0,1,1,0,0,0|2,0,0]=4 530 B7R0.1 CCNCCCC#N 3005d7a991c7154c0fa03cc1d0341956 [0,1,1,0,0,0|1,0,1]=4 531 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [0,1,1,0,0,0|1,0,1]=4 532 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [0,1,1,0,0,0|0,0,2]=4 533 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [0,1,1,0,0,0|0,1,1]=4 534 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [0,1,1,0,0,0|2,0,0]=4 535 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [0,1,1,0,0,0|2,0,0]=4 536 B7R0.1 CCOC/C=C/C=O 3d6951e444130c3127ae3a39ab2f79f2 [0,1,1,0,0,0|0,0,2]=4 537 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [0,1,1,0,0,0|1,0,1]=4 538 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,1,1,0,0,0|0,0,0]=2 539 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [0,1,1,0,0,0|1,0,1]=4 540 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [0,1,1,0,0,0|0,1,1]=4 541 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [0,1,1,0,0,0|2,0,0]=4 542 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [0,1,1,0,0,0|2,0,0]=4 543 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [0,1,1,0,0,0|1,0,0]=3 544 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [0,1,1,0,0,0|1,0,0]=3 545 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [0,1,1,0,0,0|1,0,0]=3 546 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [0,1,1,0,0,0|1,0,0]=3 547 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [0,1,1,0,0,0|1,0,0]=3 548 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [0,1,1,0,0,0|1,0,0]=3 549 B7R0.1 COCOCCC=O 867162fff7db4dfba86a4f93622307d6 [0,1,1,0,0,0|1,0,0]=3 550 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [0,1,1,0,0,0|1,0,0]=3 551 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [0,1,1,0,0,0|1,0,0]=3 552 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [0,1,1,0,0,0|1,0,0]=3 553 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [0,1,1,0,0,0|1,0,0]=3 554 B7R0.1 N#CCCCNC=O 2ee9339659cd26f3551604e3c373e82a [0,1,1,0,0,0|1,0,1]=4 555 B7R0.1 N#CCCNCC=O ace8d58a49015f6f4f2a2096c27596fb [0,1,1,0,0,0|1,0,1]=4 556 B7R0.1 N#CCCOCC=O f5635aa9ec061d3761bd48ab3dabbef3 [0,1,1,0,0,0|1,0,1]=4 557 B7R0.1 N#CCNCCC=O 9377fb179983a3f31de3cd31892e8272 [0,1,1,0,0,0|1,0,1]=4 558 B7R0.1 N#CCOCCC=O d5d91b156eadefd49106bc56a058e496 [0,1,1,0,0,0|1,0,1]=4 559 B7R0.1 N#CNCCCC=O de6c2527b5c583058557280e038afe12 [0,1,1,0,0,0|1,0,1]=4 560 B7R0.1 NOCCNCC=O d5b2df80c78a07217edb4574fec6b418 [0,1,1,0,0,0|2,0,0]=4 561 B7R0.1 O=CCCCOCF 78f6a2560292de5460d17953e3976f02 [0,1,1,0,0,0|1,0,0]=3 562 B7R0.1 O=CCCNCCBr 291f019ce3bf899c9d2e33793b2b93f1 [0,1,1,0,0,0|1,0,0]=3 563 B7R0.1 O=CCCNCCF 03b16d128f405ac3e0d050695aad18fa [0,1,1,0,0,0|1,0,0]=3 564 B7R0.1 O=CCCNCCI 98b4f0ed1ee425ed4236063d3f41c320 [0,1,1,0,0,0|1,0,0]=3 565 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [0,1,1,0,0,0|1,0,0]=3 566 B7R0.1 O=CCCNCCS 2c7d16d16b489acd0898d35ca2ec1288 [0,1,1,0,0,0|1,0,0]=3 567 B7R0.1 O=CCCOCC=O 8abc222377ef79acc62e6e971cef3b5b [0,1,1,0,0,0|1,0,1]=4 568 B7R0.1 O=CCCOCCF 799d4b07b5e7a35b60f3a0c45dcb8147 [0,1,1,0,0,0|1,0,0]=3 569 B7R0.1 O=CCCOCCS 5ca5a4b308c3272ba99d0c42e8ac625b [0,1,1,0,0,0|1,0,0]=3 570 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [0,1,1,0,0,0|1,0,0]=3 571 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [0,1,1,0,0,0|1,0,0]=3 572 B7R0.1 O=CCOCCCF 30c212e5e5e6bba647ac0be6ae41e232 [0,1,1,0,0,0|1,0,0]=3 573 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [0,1,1,0,0,0|1,0,0]=3 574 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [0,1,1,0,0,0|1,0,0]=3 575 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [0,1,1,0,0,0|1,0,0]=3 576 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [0,1,1,0,0,0|1,0,0]=3 577 B7R0.1 O=CNCCOCF 8eb92d4268cefac9fa43b7283baf8468 [0,1,1,0,0,0|2,0,0]=4 578 B7R0.1 O=COCCOCF 26ea822921d5df0874b513814a734854 [0,1,1,0,0,0|2,0,0]=4 579 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [0,1,0,0,1,0|2,0,0]=4 580 B9R1.89 CCN1CCCCCC1 78f85fed93dd7010f5d48b439304c97c [0,1,0,0,0,1|2,0,0]=4 581 B9R1.89 CCN1CCCOCC1 b7637df7a376a0cc2a30d3c23838f678 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.89 FCN1CCCCCC1 60c0199684985ea88d82a5db0516e27d [0,1,0,0,0,1|2,0,0]=4 583 B9R1.89 FCN1CCCOCC1 3c5ee395d952c7c8bca3f2bab6d60603 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.89 O=CN1CCCCCC1 4a543573026aecbb7f088b43cea970d5 [0,1,0,0,0,1|1,0,0]=3 585 B9R1.89 O=CN1CCCOCC1 ac69421f50e86b391ee77e2bd7abf564 [0,1,0,0,0,1|1,0,0]=3 586 B9R1.89 OCN1CCCCCC1 62c49bb1745f5c0f3dee14a3d4e5f5d5 [0,1,0,0,0,1|1,0,1]=4 587 B9R1.89 OCN1CCCOCC1 e5da19333e435076222444f0fc992871 [0,1,0,0,0,1|1,0,1]=4 588 B9R1.1 CC1CCN(CC1)C=O cd1885c4b5a60655a81f4f7aac11f926 [0,2,0,0,0,0|1,0,0]=3 589 B9R1.1 CC1CCN(CC1)CF ba646efe21bea01afbd9f0784f1ddf69 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.1 CC1CCN(CC1)CO 26b7dfa38ac2efd8f0c6b91628c67d49 [0,2,0,0,0,0|1,0,1]=4 591 B9R1.1 CCN1CCC(CC1)C a577c2cc6fb3debcbb948a1b7bbb62d2 [0,2,0,0,0,0|2,0,0]=4 592 B9R1.1 CCN1CCC(CC1)Cl 3956ea1f3ace4fa78a56626a2ff87699 [0,2,0,0,0,0|2,0,0]=4 593 B9R1.1 CCN1CCC(CC1)F 6a91477713620c575e23ba80546f7811 [0,2,0,0,0,0|2,0,0]=4 594 B9R1.1 CCN1CCC(CC1)I c954b3dcc5466efe509bdf2291379c31 [0,2,0,0,0,0|2,0,0]=4 595 B9R1.1 CCN1CCC(CC1)O 4da5eaa0cc000ad7f1b24ad00a3ade1d [0,2,0,0,0,0|2,0,0]=4 596 B9R1.1 CN1CCN(CC1)C=O 425b0a0854116b4d34ccf791328ead5e [0,2,0,0,0,0|2,0,0]=4 597 B9R1.1 FCN1CCC(CC1)Cl a165c4a45e087277a8d7e227c8c747dd [0,2,0,0,0,0|2,0,0]=4 598 B9R1.1 FCN1CCC(CC1)F 3c6521aa7595091a40501967a4b6b255 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.1 FCN1CCC(CC1)I baa5ba51c0447659d2f2190d7bfadc11 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.1 O=CN1CCC(CC1)Cl 0f8885b1cbec326e72007210720ce685 [0,2,0,0,0,0|1,0,0]=3 601 B9R1.1 O=CN1CCC(CC1)F a8375fcd63170cc85e942f6f795820d2 [0,2,0,0,0,0|1,0,0]=3 602 B9R1.1 O=CN1CCC(CC1)I 09840532f9aae62595854240e3123351 [0,2,0,0,0,0|1,0,0]=3 603 B9R1.1 O=CN1CCC(CC1)O 9119fcb5a9f758b718576c8b3456fe09 [0,2,0,0,0,0|1,0,0]=3 604 B9R1.1 OC1CCN(CC1)CF 0e6bf0c37f3fe2afbf92a30fc3724715 [0,2,0,0,0,0|2,0,0]=4 605 B9R1.1 OCN1CCC(CC1)Cl 737658df764a220dd5cc1d26b1bde051 [0,2,0,0,0,0|1,0,1]=4 606 B9R1.1 OCN1CCC(CC1)F 2cd1b296555734462ecd117608b0f95f [0,2,0,0,0,0|1,0,1]=4 607 B9R1.1 OCN1CCC(CC1)I c5a53019f2579defd4a18520dfc32ef9 [0,2,0,0,0,0|1,0,1]=4 608 B9R1.1 OCN1CCC(CC1)O 8c9fdfb456137554f80d512222114412 [0,2,0,0,0,0|1,0,1]=4 609 B9R1.2 CC1CCCN(C1)C=O 5a06aa6b42e18f18aee9823269dae409 [0,2,0,0,0,0|1,0,0]=3 610 B9R1.2 CC1CCCN(C1)CF b691638e4475db7509438452c0a1551a [0,2,0,0,0,0|2,0,0]=4 611 B9R1.2 CC1CCCN(C1)CO 26652d230bcc9a1195d63435a97c512d [0,2,0,0,0,0|1,0,1]=4 612 B9R1.2 CC1CN(CCO1)C=O 419911434d41e805d16780cbe76cce9d [0,2,0,0,0,0|2,0,0]=4 613 B9R1.2 CCN1CCCC(=O)C1 b0afeee675d5ec52ec51d9d2cdcf36a5 [0,2,0,0,0,0|1,0,0]=3 614 B9R1.2 CCN1CCCC(C1)C bb28da9a5acb28960c4ccbfa24bf8789 [0,2,0,0,0,0|2,0,0]=4 615 B9R1.2 CCN1CCCC(C1)F f34071e85de22867d954ce820be49898 [0,2,0,0,0,0|2,0,0]=4 616 B9R1.2 CCN1CCCC(C1)O 01dd02e5bf6117a7fa48ae871f4642c4 [0,2,0,0,0,0|2,0,0]=4 617 B9R1.2 CCN1CCC[C@@H](C1)C 60c8c16bbe3ec0bdd85a0ab469564b45 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.2 CCN1CCC[C@@H](C1)F 4bc82a27cb24b8d929f4ba749eb6afe0 [0,2,0,0,0,0|2,0,0]=4 619 B9R1.2 CCN1CCC[C@@H](C1)O d6e6558187b53da928a88c93a11d40fa [0,2,0,0,0,0|2,0,0]=4 620 B9R1.2 CCN1CCC[C@H](C1)C 7a8da6e9090318009a7decadd340bca1 [0,2,0,0,0,0|2,0,0]=4 621 B9R1.2 CCN1CCC[C@H](C1)F 16c2e2d7a2b96adf6d95208ff0d9f05f [0,2,0,0,0,0|2,0,0]=4 622 B9R1.2 CCN1CCC[C@H](C1)O 9fb116abf81f3b2aa3dfe9efc1670b96 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.2 CCN1CCNC(=O)C1 8ee087b200f253c3cbe099e9fc72a94a [0,2,0,0,0,0|2,0,0]=4 624 B9R1.2 CCN1CCOC(=O)C1 3f4941c9ffb61ce7dcae55397d747220 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.2 C[C@@H]1CCCN(C1)C=O b5e680c9235a8f69b3718f41b577e428 [0,2,0,0,0,0|1,0,0]=3 626 B9R1.2 C[C@@H]1CCCN(C1)CF cac6b7b5fb4001646643abf50489bbdb [0,2,0,0,0,0|2,0,0]=4 627 B9R1.2 C[C@@H]1CCCN(C1)CO 6675ecf83c8b49544e3561e3282b0e83 [0,2,0,0,0,0|1,0,1]=4 628 B9R1.2 C[C@@H]1CN(CCO1)C=O b5db532eab9a99bf3ba15375dd3b6f02 [0,2,0,0,0,0|2,0,0]=4 629 B9R1.2 C[C@H]1CCCN(C1)C=O 4dab749a75683c45748ebdcac3ae2c8b [0,2,0,0,0,0|1,0,0]=3 630 B9R1.2 C[C@H]1CCCN(C1)CF c41858f8ae1d9653339e528e6cb2c0eb [0,2,0,0,0,0|2,0,0]=4 631 B9R1.2 C[C@H]1CCCN(C1)CO 612f7806a77df61f3b60bf95e73ba9e6 [0,2,0,0,0,0|1,0,1]=4 632 B9R1.2 C[C@H]1CN(CCO1)C=O df29ae4feffabe0da5bd47bb2c69d059 [0,2,0,0,0,0|2,0,0]=4 633 B9R1.2 FCN1CCCC(C1)F 82519f4199c56ff234e45d04d55a74d4 [0,2,0,0,0,0|2,0,0]=4 634 B9R1.2 FCN1CCC[C@@H](C1)F f40dae0651dcf4cd6b3ab3203208d466 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.2 FCN1CCC[C@H](C1)F ea6001a32faacf160a7f22d56b28ce6a [0,2,0,0,0,0|2,0,0]=4 636 B9R1.2 O=C1CCCN(C1)CF 4a3aadad28924fa951595c84af73b014 [0,2,0,0,0,0|1,0,0]=3 637 B9R1.2 O=C1CCCN(C1)CO 6d0678682a57a081022f992f70f98004 [0,2,0,0,0,0|1,0,0]=3 638 B9R1.2 O=C1CN(CCN1)CF 5bafb41e77e8fcc47f20b3f5b7855411 [0,2,0,0,0,0|2,0,0]=4 639 B9R1.2 O=C1CN(CCN1)CO 0ce2c3b0e7d808508a34999d9467140c [0,2,0,0,0,0|2,0,0]=4 640 B9R1.2 O=C1CN(CCO1)CF c923694c0bf9f6f1496b855a5b8b01b2 [0,2,0,0,0,0|2,0,0]=4 641 B9R1.2 O=C1CN(CCO1)CO 8db94e8adcec68c019e224a8c72e73db [0,2,0,0,0,0|2,0,0]=4 642 B9R1.2 O=CN1CCCC(=O)C1 853ed8a7ea6d407efd205be254a69349 [0,2,0,0,0,0|1,0,0]=3 643 B9R1.2 O=CN1CCCC(C1)F 04917882399611fcb80fb86df59a89e2 [0,2,0,0,0,0|1,0,0]=3 644 B9R1.2 O=CN1CCCC(C1)O 0df930667a84d8d3d91a613bfd57f133 [0,2,0,0,0,0|1,0,0]=3 645 B9R1.2 O=CN1CCC[C@@H](C1)F 8bf0e6ef9ed8e1b7cb36e4499af92a58 [0,2,0,0,0,0|1,0,0]=3 646 B9R1.2 O=CN1CCC[C@@H](C1)O 50e0b44fd1f0b47772960747a9d4dc2e [0,2,0,0,0,0|1,0,0]=3 647 B9R1.2 O=CN1CCC[C@H](C1)F ec017dd9294189577b258dfb95fb493e [0,2,0,0,0,0|1,0,0]=3 648 B9R1.2 O=CN1CCC[C@H](C1)O 1099b25f2d4ea20dc0b6d23f3ff3e4f6 [0,2,0,0,0,0|1,0,0]=3 649 B9R1.2 O=CN1CCNC(=O)C1 a083308c4a8c428300c3ea6f5614b72e [0,2,0,0,0,0|2,0,0]=4 650 B9R1.2 O=CN1CCOC(=O)C1 64e52dc909f50b8e1649c1cdcf0cde99 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.2 OC1CCCN(C1)CF 4df59c67f1dddf0d33cb5fbf9fb2d841 [0,2,0,0,0,0|2,0,0]=4 652 B9R1.2 OCN1CCCC(C1)F c961438756a97ac71c25ac8244d6a7a3 [0,2,0,0,0,0|1,0,1]=4 653 B9R1.2 OCN1CCCC(C1)O a1a4b503369ffbeead5dbdfde67130ff [0,2,0,0,0,0|1,0,1]=4 654 B9R1.2 OCN1CCC[C@@H](C1)F 86e2abc91290abd055bfb691fa5f12d9 [0,2,0,0,0,0|1,0,1]=4 655 B9R1.2 OCN1CCC[C@@H](C1)O 44839fbaefbedf7952c40f3e445b2f37 [0,2,0,0,0,0|1,0,1]=4 656 B9R1.2 OCN1CCC[C@H](C1)F d473717ba6ccce88f32fe4c5f2bce4c0 [0,2,0,0,0,0|1,0,1]=4 657 B9R1.2 OCN1CCC[C@H](C1)O 958b5d72e374ab873500994771487a3a [0,2,0,0,0,0|1,0,1]=4 658 B9R1.2 O[C@@H]1CCCN(C1)CF 3a01270ddce23eb98da92fdec4d1eb7c [0,2,0,0,0,0|2,0,0]=4 659 B9R1.2 O[C@H]1CCCN(C1)CF 517eff8a3f41933ce4b79695b3ea6e98 [0,2,0,0,0,0|2,0,0]=4 660 B9R1.6 CC(=O)N1CCCOC1 736ab4cc5910e1cdbf1f270a5cd9760a [0,2,0,0,0,0|2,0,0]=4 661 B9R1.6 CC(=O)N1CCCSC1 1ff1106b7e69aa264320301adcb4387e [0,2,0,0,0,0|2,0,0]=4 662 B9R1.6 CC(=O)N1CCOCC1 b274306c5ecbdaabc7e8d85c11df9df8 [0,2,0,0,0,0|2,0,0]=4 663 B9R1.6 CC(=O)N1CCSCC1 a2a73cc62f318cd0138a717f4c94c193 [0,2,0,0,0,0|2,0,0]=4 664 B9R1.8 CCOC1CCCCC1 42d86f4740ed23d8e061935637b3e037 [0,2,0,0,0,0|0,0,2]=4 665 B9R1.8 FCOC1CCCCC1 c197a407df0a4ab8cd1695541dd8db87 [0,2,0,0,0,0|0,0,2]=4 666 B9R1.8 N#CNC1CCCCC1 14c8ce9cbe924ba6f271cfe05dd2a4e7 [0,2,0,0,0,0|1,0,1]=4 667 B9R1.8 O=CCN1CCCOC1 709ce0dcd7369ac00ecc2d178dc45731 [0,2,0,0,0,0|2,0,0]=4 668 B9R1.8 O=CCN1CCCSC1 c444ef249aa1c28412dad52581423289 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.8 O=CCN1CCOCC1 778eddfbfb27d7c608e1655d14d4d3d5 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.8 O=CCN1CCSCC1 9430518bfe46cf3dbda46338d6c1da9e [0,2,0,0,0,0|2,0,0]=4 671 B9R1.8 O=CNC1CCCOC1 230b24f50ce1e8c0a34eb41e94513599 [0,2,0,0,0,0|1,0,1]=4 672 B9R1.8 O=CNC1CCOCC1 e1b43468903b1fa23f622360e9159712 [0,2,0,0,0,0|1,0,1]=4 673 B9R1.8 O=CN[C@@H]1CCCOC1 83c33e90ba16c0a9e9741e4f12c1fbfc [0,2,0,0,0,0|1,0,1]=4 674 B9R1.8 O=CN[C@H]1CCCOC1 37e29b35f2ab9b94e3109d2bf0c29f79 [0,2,0,0,0,0|1,0,1]=4 675 B9R1.15 CC1CCCCN1C=O 5edffbe7b981e62d376cf463cc81b5a0 [0,2,0,0,0,0|1,0,0]=3 676 B9R1.15 CC1CCCCN1CF d88c0fc977e244cef0165c65eaf60df6 [0,2,0,0,0,0|2,0,0]=4 677 B9R1.15 CC1CCCCN1CO 51fa6066fe243cadf796064968abed1d [0,2,0,0,0,0|1,0,1]=4 678 B9R1.15 CC1COCCN1C=O 04bb76f81435fa2bb54099b84251b430 [0,2,0,0,0,0|2,0,0]=4 679 B9R1.15 CCN1CCCCC1C 28e743f092b5d55e839b70e50dc82b80 [0,2,0,0,0,0|2,0,0]=4 680 B9R1.15 CCN1CCCC[C@@H]1C d0a42fe80f49390641bb4a8e5e43e1b0 [0,2,0,0,0,0|2,0,0]=4 681 B9R1.15 CCN1CCCC[C@H]1C 61ad9d261f1361a702e2f429d28a7219 [0,2,0,0,0,0|2,0,0]=4 682 B9R1.15 C[C@@H]1CCCCN1C=O a3eec1c9235da9d654fdc4f1cd619716 [0,2,0,0,0,0|1,0,0]=3 683 B9R1.15 C[C@@H]1CCCCN1CF f954ea957f61bd82bd8819d1554013e8 [0,2,0,0,0,0|2,0,0]=4 684 B9R1.15 C[C@@H]1CCCCN1CO 48a916b223b43cd97604cd793c27c7ee [0,2,0,0,0,0|1,0,1]=4 685 B9R1.15 C[C@@H]1COCCN1C=O 0c7d5e9730004733a4641e1221ef05f8 [0,2,0,0,0,0|2,0,0]=4 686 B9R1.15 C[C@H]1CCCCN1C=O ca092eb4253ff1332fa8641d72ce7d5e [0,2,0,0,0,0|1,0,0]=3 687 B9R1.15 C[C@H]1CCCCN1CF 4b526ffb905b85ad6875d291622a9b36 [0,2,0,0,0,0|2,0,0]=4 688 B9R1.15 C[C@H]1CCCCN1CO c9f51543a38eb85e2bdab1d085a77a87 [0,2,0,0,0,0|1,0,1]=4 689 B9R1.15 C[C@H]1COCCN1C=O 768699be3648dab4c6a8b1f24cf31cd1 [0,2,0,0,0,0|2,0,0]=4 690 B7R1.6 CCCN1CCC1 a259a8722cbac8bcd506f8443743eda0 [0,0,1,1,0,0|2,0,0]=4 691 B7R1.22 CCN(C)C1CC1 476aa428dda8fdb06e16725a89d0042d [0,0,1,1,0,0|2,0,0]=4 692 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [0,0,1,1,0,0|1,0,0]=3 693 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [0,0,1,1,0,0|1,0,0]=3 694 B9R2.47 CCN1CC2CC2C1 25ae7fd177c6a619ed6164ece7e8af76 [0,1,0,1,0,0|2,0,0]=4 695 B9R2.47 FCN1CC2CC2C1 381dc7f7c3dd099e7605a6eb8cc5e79d [0,1,0,1,0,0|2,0,0]=4 696 B9R2.47 O=CN1CC2CC2C1 36a8f9666de0b344dd5d7bcd36723907 [0,1,0,1,0,0|1,0,0]=3 697 B9R2.47 OCN1CC2CC2C1 7f16e421cd39bf318fbc714ca9cd9da3 [0,1,0,1,0,0|1,0,1]=4 698 B9R2.65 CCN1C2C1CCC2 305e132c1644b79dc8fa8512b5e08859 [0,1,0,1,0,0|2,0,0]=4 699 B9R2.65 FCN1C2C1CCC2 cfb10e0381449f3dfd829c7521c0f431 [0,1,0,1,0,0|2,0,0]=4 700 B9R2.65 O=CN1C2C1CCC2 35dd2a078e80056fcadb05b73d230f9b [0,1,0,1,0,0|1,0,0]=3 701 B9R2.65 OCN1C2C1CCC2 32cf0761919225ef1634d9ee19fdf48b [0,1,0,1,0,0|1,0,1]=4 702 B9R2.70 CCN1CCC2C1C2 66d424168df4e7add8984d95d79b979b [0,1,0,1,0,0|2,0,0]=4 703 B9R2.70 FCN1CCC2C1C2 ccb9d4f4ae8483c628f52a8b2a94c2be [0,1,0,1,0,0|2,0,0]=4 704 B9R2.70 O=CN1CCC2C1C2 d206edc137cc271c5c4fc8f637217354 [0,1,0,1,0,0|1,0,0]=3 705 B9R2.70 OCN1CCC2C1C2 ce192980a14c1f557ad7d784c55e2315 [0,1,0,1,0,0|1,0,1]=4