0 B7R0.12 C=CCN(C#N)CC 509273b16884202440fd3995b8d1b166 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.12 CCC(CC)NC#N 656055097bc6f06330a152946e9b48af [0,0,0,0,0,0|3,0,1]=4 2 B7R0.12 CCC(CC)NC=O 4175bd0bc40e9e83245363507b336b46 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.12 CCC(CC)NCF 3d9bfd0de6efff0c7eb71abdfe1f3338 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.12 CCC(CC)NCO 63242e3a6c349fa4dc8099f989675ea6 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.12 CCC(CC)OCF 636355b0b109acffc3ac81270024a401 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.12 CCC(CO)NCF 78a0b6c825ca62e5f537e0313224ae30 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.12 CCC(CO)NCO 3c794c1fdc16d6ba628977ba610b2f38 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.12 CCCN(CC)CC cee9a7f56e1e423b5ee592f89dcd5a79 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.12 CCCN(CC)CF bb959a7f19e3a674eec89c0630b059f9 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.12 CCCN(CC)CO 0db6153d76ded508e5655e9e69753d11 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.12 CCN(C=O)CC#N 5144a4fd650d7585538e4f3d90f2669b [0,0,0,0,0,0|2,0,2]=4 13 B7R0.12 CCN(C=O)CCCl 03512ce3018e8845973ab6d439faef81 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.12 CCN(C=O)CCO f06d113e63228ddd0fbad99b8e842127 [0,0,0,0,0,0|1,0,1]=2 15 B7R0.12 CCN(CC)CC#N baf1f2b8d0cd11729ec166826a7b6f8a [0,0,0,0,0,0|1,0,1]=2 16 B7R0.12 CCN(CC)CCCl af83f640ef226b8187817c489013777d [0,0,0,0,0,0|1,0,0]=1 17 B7R0.12 CCN(CC)CCO 3ebc0ce6d105088470f67e45ca611640 [0,0,0,0,0,0|0,0,0]=0 18 B7R0.12 CCN(CF)CC#N e46af3e074483ce73bb5319ac4407aa6 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.12 CCN(CF)CCCl 43d98c1b9c6047c990dec488ba94ffde [0,0,0,0,0,0|2,0,0]=2 20 B7R0.12 CCN(CF)CCO 94620f9ce7407b818d47be3cba0eb6a5 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.12 CCN(CO)CC#N 152f943a829d371696d46679569d19ac [0,0,0,0,0,0|2,0,1]=3 22 B7R0.12 CCN(CO)CCCl d55a60f7f194d512983e9fafa067d11c [0,0,0,0,0,0|2,0,0]=2 23 B7R0.12 CCN(CO)CCO 7d4857243f6d87024376644d456f8437 [0,0,0,0,0,0|1,0,0]=1 24 B7R0.12 CCNC(CC)CC dd1a7011b4f855f8c1ad87e5ad908f9a [0,0,0,0,0,0|3,0,0]=3 25 B7R0.12 CCNC(CC)CO 69eb8cb0bab039daf9654224be723bd4 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.12 CCN[C@@H](CC)CO 58754a8a804d698e6257db6bc4cb95b3 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.12 CCN[C@H](CC)CO 5b608cb220323f541c9afa99df78f847 [0,0,0,0,0,0|4,0,0]=4 28 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.12 CC[C@@H](CO)NCF 839ec889c8fe0848d31935b9dbdfcd38 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.12 CC[C@@H](CO)NCO c3ea7a2fb8cac1d4f9b9352f27d46e24 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.12 CC[C@H](CO)NCF f04a8d368ea68193b9688c8e4f4f4f35 [0,0,0,0,0,0|4,0,0]=4 32 B7R0.12 CC[C@H](CO)NCO 31d6dbcb1b8a1065d54c94ad93fd2f0d [0,0,0,0,0,0|3,0,0]=3 33 B7R0.12 O=CN(CO)CCO 04adc48d7b0506cc852e54ed640113a1 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.12 OCCN(CO)CF 94232a15791d81cb37b410703626fccb [0,0,0,0,0,0|2,0,0]=2 35 B7R0.12 OCCN(CO)CO af187b1f9b2cead4db8e768592df40f7 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.12 OCNC(CO)CO eaa00950e285c87d17b1d0c52282992e [0,0,0,0,0,0|4,0,0]=4 37 B6R0.1 C#CCN(C)CC df628b2fb59d020a233c7468342e16c7 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.1 C#CCN(C)CF 3a7cf607d698f0f7870d7aacc2f960c3 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.1 C#CCN(C)CO 233801036d1556dadc2fa829e2eef3b2 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [1,0,0,0,0,0|1,0,1]=3 41 B6R0.1 C=CCN(C)CF 7e02e3a96da7141f47b832fca75c32a8 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [1,0,0,0,0,0|2,0,1]=4 43 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [1,0,0,0,0,0|2,0,1]=4 48 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,0,0,0,0,0|1,0,0]=2 49 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [1,0,0,0,0,0|2,0,0]=3 51 B6R0.1 CCN(C)CC#N 2853a7af5707f71aff1eef2c0f44a019 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [1,0,0,0,0,0|0,0,2]=3 53 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [1,0,0,0,0,0|1,0,0]=2 54 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [1,0,0,0,0,0|0,0,0]=1 55 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [1,0,0,0,0,0|0,1,0]=2 56 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [1,0,0,0,0,0|2,0,0]=3 57 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [1,0,0,0,0,0|2,0,0]=3 58 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [1,0,0,0,0,0|3,0,0]=4 60 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [1,0,0,0,0,0|3,0,0]=4 62 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [1,0,0,0,0,0|3,0,0]=4 63 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [1,0,0,0,0,0|3,0,0]=4 64 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [1,0,0,0,0,0|3,0,0]=4 65 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [1,0,0,0,0,0|3,0,0]=4 67 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [1,0,0,0,0,0|3,0,0]=4 70 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [1,0,0,0,0,0|1,0,1]=3 72 B6R0.1 CN(CF)CC#N cc126d10fa2e2bd83c0f8f82e172e17f [1,0,0,0,0,0|2,0,1]=4 73 B6R0.1 CN(CF)CCF 3637d23f051ca2593a5a5b98ee47a1b5 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.1 CN(CO)CC#N 980602725576f2e824d0e865b4b20c78 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.1 CN(CO)CCF e5dd1ecfdd1f28e155abf2012a360c21 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [1,0,0,0,0,0|1,0,0]=2 78 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [1,0,0,0,0,0|3,0,0]=4 80 B8R0.11 C#CCNC(CC)CC 7f347855db5b6367828788fa5e7c991d [0,1,0,0,0,0|2,0,1]=4 81 B8R0.11 C#CCOC(CC)CC 8c107128fb467a7d17748beafb60deee [0,1,0,0,0,0|2,0,1]=4 82 B8R0.11 C=CCNC(CC)CC c87d218a8871388b6a2cdbd13cdd9d88 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.11 C=CCOC(CC)CC 1834abc88f7b6c957a347a605ec7ae2d [0,1,0,0,0,0|2,0,1]=4 84 B8R0.11 CCC(C=O)NCCO 0ef6baa986478af3845ad64b43273775 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.11 CCC(CC)CNC#N f0a4299ce0e82ceebd700b1eb9d02420 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.11 CCC(CC)CNC=O 0da79cf943d9a8666a9700a2e2e9d7c2 [0,1,0,0,0,0|1,0,2]=4 87 B8R0.11 CCC(CC)CNCF 8cd9db40b52f2f13f4230f6c54e641f8 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.11 CCC(CC)CNCO 746179f5a7319763357ecc4319ef1d4e [0,1,0,0,0,0|1,0,0]=2 89 B8R0.11 CCC(CC)COCF 4f4b078189b418052c1a6f94f9cbfc3a [0,1,0,0,0,0|2,0,0]=3 90 B8R0.11 CCC(CC)NCC#N 2cdefcf4194fb84b0fcc044da24d5313 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.11 CCC(CC)NCC=O 66280cf687d8bf89fcc5bb7b86c23426 [0,1,0,0,0,0|1,0,2]=4 92 B8R0.11 CCC(CC)NCCBr f1760bb09a956c63f5f20b2a26cc6e50 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.11 CCC(CC)NCCF 16a2169220283b8aaec7bc512a7ce463 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.11 CCC(CC)NCCI cf2c62b0bba5e9a3d0e04c6167943464 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.11 CCC(CC)NCCO d58b1c58f28bba46367e63f966f1872f [0,1,0,0,0,0|1,0,0]=2 96 B8R0.11 CCC(CC)NCCS 68a82bbaa9886621fbf6c3e184690048 [0,1,0,0,0,0|1,1,0]=3 97 B8R0.11 CCC(CC)NCOC 643ad2ed01cf8ae68222d2086a292e96 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.11 CCC(CC)NCSC 412d616fd9e136d45ac690b333033eef [0,1,0,0,0,0|2,1,0]=4 99 B8R0.11 CCC(CC)OCC#N e5897805c9ec6bbb54a78d26a5f3e6a0 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.11 CCC(CC)OCC=O f1bfaa22ce246d2b20a4566127462c21 [0,1,0,0,0,0|1,0,2]=4 101 B8R0.11 CCC(CC)OCCF f7be31e12230bf8b463fc9a6354c8a6a [0,1,0,0,0,0|2,0,0]=3 102 B8R0.11 CCC(CC)OCCS 1542db784e1e28588c950d11184b5d83 [0,1,0,0,0,0|1,1,0]=3 103 B8R0.11 CCC(CC)OCOC aacb09a5123549151bc1e9e1d3037e9e [0,1,0,0,0,0|2,0,0]=3 104 B8R0.11 CCC(CC)OCSC 79d5063cdd78d3f93ab595b49d440cce [0,1,0,0,0,0|2,1,0]=4 105 B8R0.11 CCC(CO)CNCF de6506c4b7efb3b88432c80768ccb5cf [0,1,0,0,0,0|3,0,0]=4 106 B8R0.11 CCC(CO)CNCO f4ead70b83a1d6129f159796f4ac9db5 [0,1,0,0,0,0|2,0,0]=3 107 B8R0.11 CCC(CO)NCCBr 295cd2c2275fef1ccee786a11ffa6a17 [0,1,0,0,0,0|3,0,0]=4 108 B8R0.11 CCC(CO)NCCF 06a60ad7f45f2d775fb6a8aef5139853 [0,1,0,0,0,0|3,0,0]=4 109 B8R0.11 CCC(CO)NCCI a9b924d5beaf549bdeb2c18b81dba216 [0,1,0,0,0,0|3,0,0]=4 110 B8R0.11 CCC(CO)NCCO ed32f9961dc32ce448cdbe7b92adb26a [0,1,0,0,0,0|2,0,0]=3 111 B8R0.11 CCC(CO)NCCS ebbb533f966606106277fccc05e35889 [0,1,0,0,0,0|2,1,0]=4 112 B8R0.11 CCC(CO)NCOC 078c186580d45ea274fa3409f76c15af [0,1,0,0,0,0|3,0,0]=4 113 B8R0.11 CCC(COCF)OC 84654f792846e0bb0f0a3c4a2e81a708 [0,1,0,0,0,0|3,0,0]=4 114 B8R0.11 CCCCN(C=O)CC cdc74e35a30bfd5fd030759b798d1154 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.11 CCCCN(CC)CC 799082ccac5d401a30542c693df9a037 [0,1,0,0,0,0|1,0,0]=2 116 B8R0.11 CCCCN(CC)CF 191f83d5d3d3672b3280b00206bb418d [0,1,0,0,0,0|2,0,0]=3 117 B8R0.11 CCCCN(CC)CO 357cfc04e742bfe2a111c827fc08c91d [0,1,0,0,0,0|2,0,0]=3 118 B8R0.11 CCCNC(CC)CC 9be5d4abc1b4d0703a44bd9539e556bb [0,1,0,0,0,0|2,0,0]=3 119 B8R0.11 CCCNC(CC)CO 18fc997e699e711c2231a1e18c184815 [0,1,0,0,0,0|3,0,0]=4 120 B8R0.11 CCCN[C@@H](CC)CO f14436f2737b9dbc3051d6d9b364b94f [0,1,0,0,0,0|3,0,0]=4 121 B8R0.11 CCCN[C@H](CC)CO 81a649534946bc6ce248c71efca3ef7e [0,1,0,0,0,0|3,0,0]=4 122 B8R0.11 CCCOC(CC)CC 148ca867dd0504225a42b1f7b68138cf [0,1,0,0,0,0|2,0,0]=3 123 B8R0.11 CCN(C=O)CCC#N dcf0169ebeb3abd59e6492b9aebf58af [0,1,0,0,0,0|2,0,1]=4 124 B8R0.11 CCN(C=O)CCCO 1400c17018da6a8c616cf48985189e21 [0,1,0,0,0,0|1,0,1]=3 125 B8R0.11 CCN(C=O)CCOC 57d3ddcf433d03a3e450ecf7301ce02d [0,1,0,0,0,0|1,0,1]=3 126 B8R0.11 CCN(CC)CCC#N dfcc882060971ccf3020ba0349fbafb7 [0,1,0,0,0,0|1,0,0]=2 127 B8R0.11 CCN(CC)CCCO 42a98906d6288c2f3b8e1f496b44c79c [0,1,0,0,0,0|0,0,0]=1 128 B8R0.11 CCN(CC)CCOC ae4008bf0407ab1f05d88905baf7b1ed [0,1,0,0,0,0|0,0,0]=1 129 B8R0.11 CCN(CC)COCF ea64771b13112ab71dd0fff4bb768ea4 [0,1,0,0,0,0|1,0,0]=2 130 B8R0.11 CCN(CF)CCC#N 48b5220acd593f5645916c690d66d7a2 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.11 CCN(CF)CCCO c21bda18136a85af5aca8b69c4fd8697 [0,1,0,0,0,0|1,0,0]=2 132 B8R0.11 CCN(CF)CCOC 3b8af6fdb1fc6a09fa4664545f76d14d [0,1,0,0,0,0|1,0,0]=2 133 B8R0.11 CCN(CO)CCC#N fd4cdaa8f05fd41692976818551a314e [0,1,0,0,0,0|2,0,0]=3 134 B8R0.11 CCN(CO)CCCO d64066af2c2ce0c75da14a6fbb0a40e0 [0,1,0,0,0,0|1,0,0]=2 135 B8R0.11 CCN(CO)CCOC 21368dea798e2d58da0fd51deda6c863 [0,1,0,0,0,0|1,0,0]=2 136 B8R0.11 CCNCC(CC)CC 7ee65109c8a4fd66c56190cfa2902964 [0,1,0,0,0,0|2,0,0]=3 137 B8R0.11 CCNCC(CC)CO af6af2e10d8202238ef5944a294c025c [0,1,0,0,0,0|3,0,0]=4 138 B8R0.11 CCOCC(CC)CC 83daf4230606b22b742ade2847e6710e [0,1,0,0,0,0|2,0,0]=3 139 B8R0.11 CCOCC(CC)OC 77f87423c25a9b6cc7e7d85adf6c40fb [0,1,0,0,0,0|3,0,0]=4 140 B8R0.11 CCOCN(CC)CC ab9602442f23061068d423f412d505c7 [0,1,0,0,0,0|1,0,0]=2 141 B8R0.11 CC[C@@H](CO)NCCF 413ed65a26512af3c1170a3920063034 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.11 CC[C@@H](CO)NCCO 7b93a39872b6551b532bd6e8bbd5ec65 [0,1,0,0,0,0|2,0,0]=3 143 B8R0.11 CC[C@@H](CO)NCCS a5e621bc7941df7910775f676a8a67b6 [0,1,0,0,0,0|2,1,0]=4 144 B8R0.11 CC[C@@H](CO)NCOC 075733316857782eaefc2e837dcaf4c5 [0,1,0,0,0,0|3,0,0]=4 145 B8R0.11 CC[C@H](CO)NCCF d5862ddcf3ad5b0262d8b61eac762f6b [0,1,0,0,0,0|3,0,0]=4 146 B8R0.11 CC[C@H](CO)NCCO e3d68c99acf76f3a4f2f6310cbcd4548 [0,1,0,0,0,0|2,0,0]=3 147 B8R0.11 CC[C@H](CO)NCCS 8ea96ce855f1db5545ea4149f09fbfdc [0,1,0,0,0,0|2,1,0]=4 148 B8R0.11 CC[C@H](CO)NCOC e9adf39b09e53830acc8bb086083b6e5 [0,1,0,0,0,0|3,0,0]=4 149 B8R0.11 COC(CNCO)OC 2fb56a2e7a21dba07ae226f06d05e8a9 [0,1,0,0,0,0|3,0,0]=4 150 B8R0.11 CO[C@@H](CO)CNCO d79d307765ac209b795ed9fd93cd025d [0,1,0,0,0,0|3,0,0]=4 151 B8R0.11 OCCNC(CO)CO 2a93ec5f68e9f4b5b98daf3f4b43b9ab [0,1,0,0,0,0|3,0,0]=4 152 B8R0.11 OCNCC(CO)CO ac1ef2d579960bcf880ecea63813daf8 [0,1,0,0,0,0|3,0,0]=4 153 B8R0.15 C#CCN(CC)C(C)C ae7a6d1de320a20e52c3191f763bb716 [0,1,0,0,0,0|1,0,1]=3 154 B8R0.15 C#CCN(CF)C(C)C b5d728b206b97fd619f6bfa0564bc069 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.15 C#CCN(CO)C(C)C c82c3ecc698edf38350b967e12e0e11e [0,1,0,0,0,0|2,0,1]=4 156 B8R0.15 C=CCN(CC)C(C)C 5606c4137937028e60dac5ba865138c3 [0,1,0,0,0,0|1,0,1]=3 157 B8R0.15 C=CCN(CF)C(C)C 18d3c58cc955aeb192f45101b55d6f29 [0,1,0,0,0,0|2,0,1]=4 158 B8R0.15 C=CCN(CO)C(C)C 0742656f0b1084b901db4bee5db7a3f4 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.15 CC(=O)N(CO)CCO acb82ab984ba21a7687fd8bef952a2a8 [0,1,0,0,0,0|1,0,1]=3 160 B8R0.15 CC(C)C(CO)NCO 5241925a0f4e98d3bc933873cf4222bc [0,1,0,0,0,0|3,0,0]=4 161 B8R0.15 CC(C)N(C=O)CCO 1344fe535ad12ab3e47a62841ebe0545 [0,1,0,0,0,0|1,0,1]=3 162 B8R0.15 CC(C)N(CF)CCO d21d93bdc86b905986771b4f4b1e003c [0,1,0,0,0,0|1,0,0]=2 163 B8R0.15 CC(C)N(CO)CCO 5b23efe9fcbfe16fe17729c1b9a087b6 [0,1,0,0,0,0|1,0,0]=2 164 B8R0.15 CC(C)[C@@H](CO)NCO 695b101d2a69acac062230c1c476fd33 [0,1,0,0,0,0|3,0,0]=4 165 B8R0.15 CC(C)[C@H](CO)NCO 1ea1d275830a729843c5b65fcc5ef8eb [0,1,0,0,0,0|3,0,0]=4 166 B8R0.15 CC(O)C(CO)NCO 96053f0b0fe026e99cffa02c8a08ffd7 [0,1,0,0,0,0|3,0,0]=4 167 B8R0.15 CCC(NCF)C(C)C 9eff5f9660820f9c877d3a3472e4639b [0,1,0,0,0,0|3,0,0]=4 168 B8R0.15 CCC(NCO)C(C)C 39ba9a4710beec3811b0b3d81003bc42 [0,1,0,0,0,0|2,0,0]=3 169 B8R0.15 CCC(OCF)C(C)C 00571321126fa738b7f56d2abdd5da87 [0,1,0,0,0,0|3,0,0]=4 170 B8R0.15 CCCN(C=O)C(C)C 9cecb4b84cf566581125ea24b6665c66 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.15 CCCN(CC)C(=O)C aaa318fb9f18848accdb9fbfd1cf28a8 [0,1,0,0,0,0|1,0,1]=3 172 B8R0.15 CCCN(CC)C(C)C 1c89cff2caba49a0d6b54ccb28d3894d [0,1,0,0,0,0|1,0,0]=2 173 B8R0.15 CCCN(CF)C(C)C d6c3e1b08d6e507345090c4a48044c63 [0,1,0,0,0,0|2,0,0]=3 174 B8R0.15 CCCN(CO)C(C)C 9a6ca5d22a743648e8e0f87c1f823109 [0,1,0,0,0,0|2,0,0]=3 175 B8R0.15 CCN(CC#N)C(=O)C 6edb230a4cfb39799b96014ad7f3c8ec [0,1,0,0,0,0|1,0,2]=4 176 B8R0.15 CCN(CC#N)C(C)C 5e1c98e2e9eff7f24601995c9e67983c [0,1,0,0,0,0|1,0,1]=3 177 B8R0.15 CCN(CC=O)C(C)C 37df5b9c5ada4224907597a94625cdec [0,1,0,0,0,0|0,0,2]=3 178 B8R0.15 CCN(CCCl)C(=O)C 10dbbc5db7469d566a3048f4a18456a3 [0,1,0,0,0,0|1,0,1]=3 179 B8R0.15 CCN(CCCl)C(C)C e88be52825265a68788f5bcdd374f49e [0,1,0,0,0,0|1,0,0]=2 180 B8R0.15 CCN(CCF)C(C)C b0cc9a600232d390d49a196940d86748 [0,1,0,0,0,0|1,0,0]=2 181 B8R0.15 CCN(CCO)C(=O)C 7d70110607468d775832ae23e9934092 [0,1,0,0,0,0|0,0,1]=2 182 B8R0.15 CCN(CCO)C(C)C 83c6109915e76aa5a7a721197ef6a0df [0,1,0,0,0,0|0,0,0]=1 183 B8R0.15 CCN(CCS)C(C)C 16f3e1e31a163fae7e0f8f3d69a06318 [0,1,0,0,0,0|0,1,0]=2 184 B8R0.15 CCN(COC)C(C)C ae1f3901b5da4c31a4ff384af0ebf7e6 [0,1,0,0,0,0|2,0,0]=3 185 B8R0.15 CCN(CSC)C(C)C 395dcdaa0dcb45c864c836be224172eb [0,1,0,0,0,0|2,0,0]=3 186 B8R0.15 CCNC(CC)C(C)C f4db5a514b7a19e99d5d676c90be24b4 [0,1,0,0,0,0|3,0,0]=4 187 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 9437a38f8b758cb0a592817dd3b24faf [0,1,0,0,0,0|3,0,0]=4 188 B8R0.15 CCN[C@H](CC)[C@@H](C)O 43ee27f39678641d94beb29c7dca4d14 [0,1,0,0,0,0|3,0,0]=4 189 B8R0.15 CCN[C@H](CC)[C@H](C)O 642a6caece15e7ad19edf53bc1e5c46e [0,1,0,0,0,0|3,0,0]=4 190 B8R0.15 CCOC(CC)C(C)C 18c5bc69d3aa8233a4f89cf882d20a96 [0,1,0,0,0,0|3,0,0]=4 191 B8R0.15 CC[C@@H](NCF)[C@@H](C)O f0fd448cb9e035454b0f90d59a9df267 [0,1,0,0,0,0|3,0,0]=4 192 B8R0.15 CC[C@@H](NCF)[C@H](C)O da5b1c564a16b45eb6e3836d1c8f0c0d [0,1,0,0,0,0|3,0,0]=4 193 B8R0.15 CC[C@@H](NCO)[C@@H](C)O e456664fb0191ec56e73ac198ac306c0 [0,1,0,0,0,0|2,0,0]=3 194 B8R0.15 CC[C@@H](NCO)[C@H](C)O c6f34c6592d25a01cb9f45bf6a5a523b [0,1,0,0,0,0|2,0,0]=3 195 B8R0.15 CC[C@H](NCF)[C@@H](C)O 5a655332e5811b022df99da8446bad0c [0,1,0,0,0,0|3,0,0]=4 196 B8R0.15 CC[C@H](NCO)[C@@H](C)O ca58a0526b0145bbe1fae3064916e54a [0,1,0,0,0,0|2,0,0]=3 197 B8R0.15 C[C@@H](O)[C@@H](CO)NCO 7ced69b30dfa8ef695135791e278ca0e [0,1,0,0,0,0|3,0,0]=4 198 B8R0.15 C[C@@H](O)[C@H](CO)NCO 7d002bff78c58db3422f26951dbe61e0 [0,1,0,0,0,0|3,0,0]=4 199 B8R0.15 C[C@H](O)[C@@H](CO)NCO 300e87844d1d429506cf445a2d4a2191 [0,1,0,0,0,0|3,0,0]=4 200 B8R0.15 C[C@H](O)[C@H](CO)NCO af3f0af477fe0b726ae79665dc4b463f [0,1,0,0,0,0|3,0,0]=4 201 B8R0.16 C=C(C)CN(CC)CC 5e7edabf5a8714e74a2bb1ad7dd94499 [0,1,0,0,0,0|1,0,1]=3 202 B8R0.16 C=C(C)CN(CC)CF fb462ba98ce1838dd4d16ae3abcf2592 [0,1,0,0,0,0|2,0,1]=4 203 B8R0.16 C=C(C)CN(CC)CO d3e5e60a1b260bb44f4da36f7d5b093a [0,1,0,0,0,0|2,0,1]=4 204 B8R0.16 CCC(CC)NC(C)C 8e569a16a5a022835444ad9b9b666832 [0,1,0,0,0,0|3,0,0]=4 205 B8R0.16 CCC(CC)OC(C)C 0d36ea4bc357375b974f87de9390eb5f [0,1,0,0,0,0|3,0,0]=4 206 B8R0.16 CCN(C=O)CC(C)C a0d4f7e2b09765b708dd4f00ebe2d340 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.16 CCN(C=O)CC(C)O 2437be87a2e81f295f09928becec40c6 [0,1,0,0,0,0|1,0,1]=3 208 B8R0.16 CCN(C=O)CC(F)F fef5c33754c2da4e91f59c606aea6814 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.16 CCN(C=O)C[C@H](C)O 1f7ddfd4388d4f78b5345d6a6e9121a1 [0,1,0,0,0,0|1,0,1]=3 210 B8R0.16 CCN(CC)CC(=O)O 6fed7892c18c8ce9f89dfe191b146fca [0,1,0,0,0,0|0,0,1]=2 211 B8R0.16 CCN(CC)CC(C)C 87a5706d2b796b063f175db9c5e79998 [0,1,0,0,0,0|1,0,0]=2 212 B8R0.16 CCN(CC)CC(C)O d8bc58b8f382f5371f0e94bb242901d6 [0,1,0,0,0,0|0,0,0]=1 213 B8R0.16 CCN(CC)CC(F)F 502728d9e1cbe2282cb6339b83f3bef8 [0,1,0,0,0,0|1,0,0]=2 214 B8R0.16 CCN(CC)C[C@H](C)O e8ae75fa00192b49e2affddcedaf538e [0,1,0,0,0,0|0,0,0]=1 215 B8R0.16 CCN(CF)CC(=O)O 1572f10e4b030a4a402c19f513bf28bb [0,1,0,0,0,0|1,0,1]=3 216 B8R0.16 CCN(CF)CC(C)C 744b366c959b404d2df0a0600b06b37b [0,1,0,0,0,0|2,0,0]=3 217 B8R0.16 CCN(CF)CC(C)O b42e3cb8d43d72a360d85cc8de4205f1 [0,1,0,0,0,0|1,0,0]=2 218 B8R0.16 CCN(CF)CC(F)F d4c283fa039cd466e98fb91a89f8db22 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.16 CCN(CF)C[C@H](C)O c4e347000f8a76e4029d2cbec68d72c2 [0,1,0,0,0,0|1,0,0]=2 220 B8R0.16 CCN(CO)CC(=O)O af04d4435f9e87502f4960e4fa163dc7 [0,1,0,0,0,0|1,0,1]=3 221 B8R0.16 CCN(CO)CC(C)C f806f0f6352a8332de429236acf734d1 [0,1,0,0,0,0|2,0,0]=3 222 B8R0.16 CCN(CO)CC(C)O 0648cddbdd177d68fe137b4e015914f3 [0,1,0,0,0,0|1,0,0]=2 223 B8R0.16 CCN(CO)CC(F)F 9e1e504dd3968b7f3ac4e56a48071318 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.16 CCN(CO)C[C@H](C)O e524c4415f69604a18e716f7cb9197fa [0,1,0,0,0,0|1,0,0]=2 225 B8R0.20 CCC(CC)N(C)CC 30a960df758b7999bb0774dfe5031cc7 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.20 CCC(CC)N(C)CF be56d2c4d777e445707ec20017341453 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.20 CCC(CC)N(C)CO 4dd0b0b1fc7723f77dc1db0429cbe365 [0,1,0,0,0,0|2,0,0]=3 228 B8R0.20 CCN(C=O)C(C)CO 2b7554c35b7ee11c88f30889764dd701 [0,1,0,0,0,0|1,0,1]=3 229 B8R0.20 CCN(CC)C(C)CO 5b978e591d671976c12f72e61d3eb8c9 [0,1,0,0,0,0|0,0,0]=1 230 B8R0.20 CCN(CF)C(C)CO 3646d37e45cd570c35d56417896e219c [0,1,0,0,0,0|1,0,0]=2 231 B8R0.20 CCN(CO)C(C)CO 47eee170e7725609d855069cf15d4d62 [0,1,0,0,0,0|1,0,0]=2 232 B8R0.22 C#CCC(CC)OCC 429ada3bf02fda515e344a1961ca3855 [0,1,0,0,0,0|2,0,1]=4 233 B8R0.22 C#CCN(C=O)CCO 352bf46c53b20c214584ab18cf9ac55d [0,1,0,0,0,0|1,0,2]=4 234 B8R0.22 C#CCN(CC)CC#C ed092acca3167a8c56f306769b4be05b [0,1,0,0,0,0|1,0,2]=4 235 B8R0.22 C#CCN(CC)CC#N 2290933d52c6d13e4fb97207067e52d6 [0,1,0,0,0,0|1,0,2]=4 236 B8R0.22 C#CCN(CC)CC=C dcb110b2d249de276de8d9e29f3d50c2 [0,1,0,0,0,0|1,0,2]=4 237 B8R0.22 C#CCN(CC)CCC 1a04b40b7302ff7cded4ea13f07ce72c [0,1,0,0,0,0|1,0,1]=3 238 B8R0.22 C#CCN(CC)CCCl dd549f2349587f90c5f93feff11ffcb8 [0,1,0,0,0,0|1,0,1]=3 239 B8R0.22 C#CCN(CC)CCO 41f4c18f67e2144d9f4c990f64b57fe6 [0,1,0,0,0,0|0,0,1]=2 240 B8R0.22 C#CCN(CF)CCO d2decf2b88b0e81f9aa3d03dd0e99e53 [0,1,0,0,0,0|1,0,1]=3 241 B8R0.22 C#CCN(CO)CCO f282ae20c39c9923c12395ebde074660 [0,1,0,0,0,0|1,0,1]=3 242 B8R0.22 C=CCN(C#N)CCO c3401a6ab0a4898ce739ee0381f00627 [0,1,0,0,0,0|1,0,2]=4 243 B8R0.22 C=CCN(C=O)CCO 59fe35bdf9373f478a2858e3350b9154 [0,1,0,0,0,0|1,0,2]=4 244 B8R0.22 C=CCN(CC)CC#N dd7ebe23a22a451b2b2ef7f605cb0a31 [0,1,0,0,0,0|1,0,2]=4 245 B8R0.22 C=CCN(CC)CC=C 9e21be524d6c2c9404db2fb3efd02f06 [0,1,0,0,0,0|1,0,2]=4 246 B8R0.22 C=CCN(CC)CCC 7aebbfb3f75baa8bbab14ad7e2fc6fe2 [0,1,0,0,0,0|1,0,1]=3 247 B8R0.22 C=CCN(CC)CCCl a768fe16d0e83af03fcd0fb67dbb44b1 [0,1,0,0,0,0|1,0,1]=3 248 B8R0.22 C=CCN(CC)CCO 7d28a026898d27fca31de2931dbf75f7 [0,1,0,0,0,0|0,0,1]=2 249 B8R0.22 C=CCN(CF)CCC 49aab59b80da8d4589be20d7460f1c51 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.22 C=CCN(CF)CCO 037952179228c317b480e20a017b42a2 [0,1,0,0,0,0|1,0,1]=3 251 B8R0.22 C=CCN(CO)CCC 5b800a0a1d2f8747fb56a06f460cf028 [0,1,0,0,0,0|2,0,1]=4 252 B8R0.22 C=CCN(CO)CCO f0ed49e61829cc15ffae0d7c16eb2733 [0,1,0,0,0,0|1,0,1]=3 253 B8R0.22 CCC(CC#N)NCO 37bbbd7cb3e9c30f7782c37ff3e4270e [0,1,0,0,0,0|2,0,1]=4 254 B8R0.22 CCC(COC)NCF 2924bcf43ecd082360a5d467e23538fa [0,1,0,0,0,0|3,0,0]=4 255 B8R0.22 CCC(COC)NCO 03d8d7a13e240bda53cab404bafe37f7 [0,1,0,0,0,0|2,0,0]=3 256 B8R0.22 CCC(COC)OCF e4a3f6d1c69a2354f3937d8ddd14d68d [0,1,0,0,0,0|3,0,0]=4 257 B8R0.22 CCC(CSC)OCF 2ad6205708c499d48b4ee5a13ffd89a9 [0,1,0,0,0,0|3,0,0]=4 258 B8R0.22 CCCC(CC)OCC 2f33f90cfe6f34bcef6403a269e3e2c2 [0,1,0,0,0,0|2,0,0]=3 259 B8R0.22 CCCC(CC)OCF ce7c200aebd362fbdb26e3cffa550e7b [0,1,0,0,0,0|3,0,0]=4 260 B8R0.22 CCCC(CO)NCC b8c7f0be112f24c01dd7f8415b0a6e3f [0,1,0,0,0,0|3,0,0]=4 261 B8R0.22 CCCC(CO)NCO 9c3e40eec7a20c9c6bcd4b99ddb42413 [0,1,0,0,0,0|3,0,0]=4 262 B8R0.22 CCCN(C=O)CCC b8d16e0fe5e219991097fa7af52168fc [0,1,0,0,0,0|2,0,1]=4 263 B8R0.22 CCCN(C=O)CCO 05c7e3c748b410d220017381f77da8d3 [0,1,0,0,0,0|1,0,1]=3 264 B8R0.22 CCCN(CC)CC#N c29099232086d81ad2f07c596422bfd1 [0,1,0,0,0,0|1,0,1]=3 265 B8R0.22 CCCN(CC)CC=O 10f91472c4600bbc31b6ae1008baca40 [0,1,0,0,0,0|0,0,2]=3 266 B8R0.22 CCCN(CC)CCC fbdeabbee1b9c3e90ce0dba0622f60e1 [0,1,0,0,0,0|1,0,0]=2 267 B8R0.22 CCCN(CC)CCCl e10d54888c8be58f6c48a2109cd3c712 [0,1,0,0,0,0|1,0,0]=2 268 B8R0.22 CCCN(CC)CCF 2df08daadfb37609698739d31facd805 [0,1,0,0,0,0|1,0,0]=2 269 B8R0.22 CCCN(CC)CCO e12c7b9084df978bc76507edd9bb317c [0,1,0,0,0,0|0,0,0]=1 270 B8R0.22 CCCN(CC)CCS d13e9cb0503ea391c9c728c78375cf51 [0,1,0,0,0,0|0,1,0]=2 271 B8R0.22 CCCN(CC)COC 15ff08b061f9fd92278440622f990e67 [0,1,0,0,0,0|1,0,0]=2 272 B8R0.22 CCCN(CC)CSC a60d359435bfdd67a351c0f62c52b47e [0,1,0,0,0,0|1,0,0]=2 273 B8R0.22 CCCN(CF)CCC 13308840e37fb0db9101f8040f290680 [0,1,0,0,0,0|2,0,0]=3 274 B8R0.22 CCCN(CF)CCO 947883a1ea303d435cd0024eececcb8b [0,1,0,0,0,0|1,0,0]=2 275 B8R0.22 CCCN(CO)CCC 8895812a51d2f9ffd61abab1a697cc71 [0,1,0,0,0,0|2,0,0]=3 276 B8R0.22 CCCN(CO)CCO a9884a3b6c19ddd60ead7c1eabb3daee [0,1,0,0,0,0|1,0,0]=2 277 B8R0.22 CCC[C@@H](CC)OCC b58a52b0075a76b2b518807461776ed4 [0,1,0,0,0,0|2,0,0]=3 278 B8R0.22 CCC[C@@H](CC)OCF 7aa5f0ec7ab4c268dbb1cc54d34ff94b [0,1,0,0,0,0|3,0,0]=4 279 B8R0.22 CCC[C@@H](CO)NCC 56ab3d096c6223ec587ad816d0445356 [0,1,0,0,0,0|3,0,0]=4 280 B8R0.22 CCC[C@@H](CO)NCO 4ac90204e4f97fc46e69b3f0ded63d81 [0,1,0,0,0,0|3,0,0]=4 281 B8R0.22 CCC[C@H](CO)NCC 9c47d0227f2e89819e7d2ecbd9f9d4a0 [0,1,0,0,0,0|3,0,0]=4 282 B8R0.22 CCC[C@H](CO)NCO e0683eee624d27f46b1a3348d30863a7 [0,1,0,0,0,0|3,0,0]=4 283 B8R0.22 CCN(CC#N)CC#N 9820f459e3de0d2a47d74a3f46401a0b [0,1,0,0,0,0|1,0,2]=4 284 B8R0.22 CCN(CC#N)CC=O a9747b143d6ef4dd2872ba6e1e683195 [0,1,0,0,0,0|0,0,3]=4 285 B8R0.22 CCN(CC#N)CCCl f9435d6736a24f09ca75c381b4cd7308 [0,1,0,0,0,0|1,0,1]=3 286 B8R0.22 CCN(CC#N)CCF 07b3618cb12df051c2e347b34776ed64 [0,1,0,0,0,0|1,0,1]=3 287 B8R0.22 CCN(CC#N)CCO d40560077f8f65677e740aa2d7588588 [0,1,0,0,0,0|0,0,1]=2 288 B8R0.22 CCN(CC#N)CCS 156b033bb2be241549ed5d611044246f [0,1,0,0,0,0|0,1,1]=3 289 B8R0.22 CCN(CC#N)COC 174824384ec2b6aae7ada58280a0e607 [0,1,0,0,0,0|1,0,1]=3 290 B8R0.22 CCN(CC#N)CSC bc9df118c796b18b34d4cf5e6d58239d [0,1,0,0,0,0|1,0,1]=3 291 B8R0.22 CCN(CC=O)CCCl 4ed90969909b022e2ac83da8060f9efc [0,1,0,0,0,0|0,0,2]=3 292 B8R0.22 CCN(CC=O)CCO 97dbc0347b45240747141aa67b4d0675 [0,1,0,0,0,0|0,0,1]=2 293 B8R0.22 CCN(CCCl)CCCl 3ad8c1292279d9440a0a3b1334f73aef [0,1,0,0,0,0|1,0,0]=2 294 B8R0.22 CCN(CCCl)COC 71aa38c96f0f5345ed6784846f3356da [0,1,0,0,0,0|1,0,0]=2 295 B8R0.22 CCN(CCCl)CSC 8af628d9a85c62aef5c9ddfacd0c615a [0,1,0,0,0,0|1,0,0]=2 296 B8R0.22 CCN(CCF)CCCl 420700ec2ba2eadfcc63a9b7d071c641 [0,1,0,0,0,0|1,0,0]=2 297 B8R0.22 CCN(CCO)CCCl 65cd319c6307870729e48a3e552a6aa2 [0,1,0,0,0,0|0,0,0]=1 298 B8R0.22 CCN(CCO)CCF fa5e1cada6e73f683304dcd0c0f55ac1 [0,1,0,0,0,0|0,0,0]=1 299 B8R0.22 CCN(CCO)CCO 9cbcf20b5fddfabd1cad8fe755485c1c [0,1,0,0,0,0|0,0,0]=1 300 B8R0.22 CCN(CCO)CCS 7ea7dce4852d7b641f31fdb321299f3a [0,1,0,0,0,0|0,0,0]=1 301 B8R0.22 CCN(CCO)COC 9099b2b31751a5605feb95e73a2364ea [0,1,0,0,0,0|0,0,0]=1 302 B8R0.22 CCN(CCO)CSC d9bbcc3a3af0972fcb21cbffca60ef32 [0,1,0,0,0,0|0,0,0]=1 303 B8R0.22 CCN(CCS)CCCl 19a9324aa25c2915fe8fb8e728121384 [0,1,0,0,0,0|0,1,0]=2 304 B8R0.22 CCNC(CC)CC#N 35ac51a464f1ba2c75d12b887771fd51 [0,1,0,0,0,0|2,0,1]=4 305 B8R0.22 CCNC(CC)COC 521c86a50c9523c65950c003b096c2ad [0,1,0,0,0,0|3,0,0]=4 306 B8R0.22 CCNC(CO)CCO 236b212c9afd3f6159230d9b4b9c0ea7 [0,1,0,0,0,0|2,0,0]=3 307 B8R0.22 CCN[C@@H](CC)CC#N 32d3afbf6cf0904da2c1d2b641a6ad2f [0,1,0,0,0,0|2,0,1]=4 308 B8R0.22 CCN[C@@H](CO)CCO e7b1ee3f6445a52557c502ec712e1ce8 [0,1,0,0,0,0|2,0,0]=3 309 B8R0.22 CCN[C@H](CC)CC#N f2053df4597bab6e55b86ac7823e9d7a [0,1,0,0,0,0|2,0,1]=4 310 B8R0.22 CCOC(CBr)CCBr bf0b9f756baa32efc7ef5720cc6f409c [0,1,0,0,0,0|3,0,0]=4 311 B8R0.22 CCOC(CC)CC#N b51f9a6ab553208797a0e3e5dafe2841 [0,1,0,0,0,0|2,0,1]=4 312 B8R0.22 CCOC(CC)COC 5abfd343e0b4d1c299a8c6b54e73b27d [0,1,0,0,0,0|3,0,0]=4 313 B8R0.22 CCOC(CC)CSC 8ed7b9fab73898e63015d64833b57a87 [0,1,0,0,0,0|3,0,0]=4 314 B8R0.22 CCOC(CCl)CCCl 5c073036ccca816860f171e244686a83 [0,1,0,0,0,0|3,0,0]=4 315 B8R0.22 CCO[C@H](CC)CC#N 0b719200a1cb6d6b1a758e5b97a05ecd [0,1,0,0,0,0|2,0,1]=4 316 B8R0.22 CC[C@@H](CC#N)NCO b6cc1220e9edbf943fd91876f60a62d7 [0,1,0,0,0,0|2,0,1]=4 317 B8R0.22 CC[C@H](CC#N)NCO 209f5a86872104a1e3ac09cf2e44949d [0,1,0,0,0,0|2,0,1]=4 318 B8R0.22 COCC(CO)NCO fc6e63a9cec1042f4433d6dda8eb6964 [0,1,0,0,0,0|3,0,0]=4 319 B8R0.22 COCN(CO)CCO f016aeda88273f0f69c7e5f063648888 [0,1,0,0,0,0|1,0,0]=2 320 B8R0.22 CSCC(CO)NCO 3ce3f1f18db1b957b0c9389cd9867fbe [0,1,0,0,0,0|3,0,0]=4 321 B8R0.22 CSCN(CO)CCO 24a609e113686e60d11c563abe1a7dde [0,1,0,0,0,0|1,0,0]=2 322 B8R0.22 FCN(CCCl)CCCl bc18d04f93728888385b6086a0e8b389 [0,1,0,0,0,0|2,0,0]=3 323 B8R0.22 N#CCN(CO)CCO fbdeb1e1558d5ef278bb051daa1bca98 [0,1,0,0,0,0|1,0,1]=3 324 B8R0.22 O=CCN(CO)CCO 2b815b0b958039d51c66791793833e59 [0,1,0,0,0,0|1,0,1]=3 325 B8R0.22 O=CN(CCCl)CCCl 054ac3afb7fe32e280913aeabd7450cf [0,1,0,0,0,0|2,0,1]=4 326 B8R0.22 O=CN(CCO)CCO c0fe14cb4fe87b0f51f8507a4f962117 [0,1,0,0,0,0|1,0,1]=3 327 B8R0.22 OCCC(CO)NCF a1bc5f3f143e9651dceb4e36609131ab [0,1,0,0,0,0|3,0,0]=4 328 B8R0.22 OCCC(CO)NCO d0e768d7c97311b53dcb51fdf5432d42 [0,1,0,0,0,0|3,0,0]=4 329 B8R0.22 OCCN(CF)CCO efb5ebe687d0abe3323b41c188266a04 [0,1,0,0,0,0|1,0,0]=2 330 B8R0.22 OCCN(CO)CCF 6e012e81de64bb5cd6aa3f9843a7185a [0,1,0,0,0,0|1,0,0]=2 331 B8R0.22 OCCN(CO)CCO 9f3b82a638e7222be265b6a91b24ff07 [0,1,0,0,0,0|1,0,0]=2 332 B8R0.22 OCCN(CO)CCS c2a5fa74363701b5c132913717275ae1 [0,1,0,0,0,0|1,0,0]=2 333 B8R0.22 OCC[C@H](CO)NCF e80fb53f8185da8e6187cba2ae8355d7 [0,1,0,0,0,0|3,0,0]=4 334 B8R0.22 OCC[C@H](CO)NCO 9d92e89e897a98a55378d89c1ea6dd19 [0,1,0,0,0,0|3,0,0]=4 335 B8R0.22 OCN(CCCl)CCCl 6dcc01f7c7317bdd36bfeeca73a2fd74 [0,1,0,0,0,0|2,0,0]=3 336 B8R0.31 CCC(C)(CC)NCF 2c3311995160544e708d0d13ae54507c [0,1,0,0,0,0|3,0,0]=4 337 B8R0.31 CCC(C)(CC)NCO 7bc215fc90efe1b5772609d5f18749b9 [0,1,0,0,0,0|2,0,0]=3 338 B8R0.31 CCC(C)(CO)NCO 285736b65e23c6bb090b50721bd88e96 [0,1,0,0,0,0|3,0,0]=4 339 B8R0.31 CCNC(C)(CC)CC 3aa32e3d059b899fc0cdd74f4a707ca0 [0,1,0,0,0,0|3,0,0]=4 340 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [0,0,0,1,0,0|2,0,1]=4 341 B8R1.1 CC1CCN(C1)CF da0970cce8482326171d63e42120fe9a [0,0,0,1,0,0|2,0,0]=3 342 B8R1.1 CC1CCN(C1)CO 35ec454f519cadc0e2b5b2b07f513132 [0,0,0,1,0,0|2,0,0]=3 343 B8R1.1 CCN1CCC(C1)C c5b0c6261615cc6c7323d9c48f305770 [0,0,0,1,0,0|1,0,0]=2 344 B8R1.1 CCN1CCC(C1)F 8d301cd853ecef6fb4279b0612590591 [0,0,0,1,0,0|1,0,0]=2 345 B8R1.1 CCN1CCC(C1)O 1fbe07547593a6faa177084d503fc6f1 [0,0,0,1,0,0|0,0,0]=1 346 B8R1.1 CCN1CCN(C1)C aae264a06453d9ff404065937fbf2180 [0,0,0,1,0,0|2,0,0]=3 347 B8R1.1 CCN1CC[C@@H](C1)F 45d2c8580b418f04d6df20f8ae6a7937 [0,0,0,1,0,0|1,0,0]=2 348 B8R1.1 CCN1CC[C@@H](C1)O 70cbbe96f459a233588b5761b6688faa [0,0,0,1,0,0|0,0,0]=1 349 B8R1.1 CCN1CC[C@H](C1)F 4c21ca896f7eba6f6ebed5cb028fb6fe [0,0,0,1,0,0|1,0,0]=2 350 B8R1.1 CCN1CC[C@H](C1)O 8caeefff584b981372b55b1e6e9f82dc [0,0,0,1,0,0|0,0,0]=1 351 B8R1.1 CCN1CNC(=O)C1 58009d6dfded7497e427ac45a5ff5413 [0,0,0,1,0,0|1,0,2]=4 352 B8R1.1 CN1CCN(C1)CF d122f9f4a2c2d8eed3da4b2dbc0c25fb [0,0,0,1,0,0|3,0,0]=4 353 B8R1.1 CN1CCN(C1)CO 1a670e93a6e39360242dd3f33d05954a [0,0,0,1,0,0|3,0,0]=4 354 B8R1.1 FCN1CCC(C1)F 6ea25b215bc9889a86e0fc55d6d726df [0,0,0,1,0,0|2,0,0]=3 355 B8R1.1 FCN1CC[C@@H](C1)F 2542d5769bff30d922f8ff3867281349 [0,0,0,1,0,0|2,0,0]=3 356 B8R1.1 FCN1CC[C@H](C1)F e130aa1e62a7d258f8883f0d437f28a9 [0,0,0,1,0,0|2,0,0]=3 357 B8R1.1 O=CN1CCC(C1)F 96284cdc191c7cba11f6a402b8eb117c [0,0,0,1,0,0|2,0,1]=4 358 B8R1.1 O=CN1CCC(C1)O 36bb47eb3389f04fbd153dabfa4995ad [0,0,0,1,0,0|1,0,1]=3 359 B8R1.1 O=CN1CC[C@@H](C1)F 008cec7e125285aba69bdec89e8d8fbf [0,0,0,1,0,0|2,0,1]=4 360 B8R1.1 O=CN1CC[C@@H](C1)O 75171cfcb992bb0c611e45c07ca0c61c [0,0,0,1,0,0|1,0,1]=3 361 B8R1.1 O=CN1CC[C@H](C1)F 27a4a903f78fd10dcf90e00458f77a70 [0,0,0,1,0,0|2,0,1]=4 362 B8R1.1 O=CN1CC[C@H](C1)O 4d35040bdf5a1607b14717edf31c1dc0 [0,0,0,1,0,0|1,0,1]=3 363 B8R1.1 OC1CCN(C1)CF 245b27174aeaed19468a8a5b46c8d958 [0,0,0,1,0,0|1,0,0]=2 364 B8R1.1 OCN1CCC(C1)F 4e1b0e865f35d9e88a723b21d468b144 [0,0,0,1,0,0|2,0,0]=3 365 B8R1.1 OCN1CCC(C1)O 9bea44962414eb08c5c787d7845d9e4f [0,0,0,1,0,0|1,0,0]=2 366 B8R1.1 OCN1CC[C@@H](C1)F 1b91c1daf3e9830d74760f5595516c6e [0,0,0,1,0,0|2,0,0]=3 367 B8R1.1 OCN1CC[C@@H](C1)O 8cff2485084eb573b880545a5c7bb462 [0,0,0,1,0,0|1,0,0]=2 368 B8R1.1 OCN1CC[C@H](C1)F e8d697abd953f38d763a1d8e7bf0a21d [0,0,0,1,0,0|2,0,0]=3 369 B8R1.1 OCN1CC[C@H](C1)O 9a83745859226945baeca6641c8f0bfc [0,0,0,1,0,0|1,0,0]=2 370 B8R1.1 O[C@@H]1CCN(C1)CF e1b19d855740533d39a1c7d2295137c4 [0,0,0,1,0,0|1,0,0]=2 371 B8R1.1 O[C@H]1CCN(C1)CF 84f7f0c3a25af3cdcbadcc576a5b6ba4 [0,0,0,1,0,0|1,0,0]=2 372 B8R1.2 CCN1CC=CCC1 0dfc6382e2eb71bb203dc8f8c11fc3a7 [0,0,0,1,0,0|1,0,1]=3 373 B8R1.2 CCN1CCCOC1 53af203468797a49275022682d8f1a11 [0,0,0,1,0,0|2,0,0]=3 374 B8R1.2 CCN1CCCSC1 94ac8411443cb0a4aa7db7b3767bc109 [0,0,0,1,0,0|2,0,0]=3 375 B8R1.2 CCN1CCOCC1 fb923a7109dd2702dd7751939694bf0a [0,0,0,1,0,0|0,0,0]=1 376 B8R1.2 CCN1CCSCC1 1b9658d9d2dd04d5c3441497757b0605 [0,0,0,1,0,0|0,1,0]=2 377 B8R1.2 FCN1CC=CCC1 401ca9aa2f450f72776a775dc9b905eb [0,0,0,1,0,0|2,0,1]=4 378 B8R1.2 FCN1CCCOC1 0813b9bdd7e109f7922171400e48b2a2 [0,0,0,1,0,0|3,0,0]=4 379 B8R1.2 FCN1CCCSC1 18b1e690d5a67e082a0e052f9650c2cd [0,0,0,1,0,0|3,0,0]=4 380 B8R1.2 FCN1CCOCC1 af38a82d0a4a474edc4ef56a4d84bb37 [0,0,0,1,0,0|1,0,0]=2 381 B8R1.2 FCN1CCSCC1 3fd57c8b0b453362bf0663a583869566 [0,0,0,1,0,0|1,1,0]=3 382 B8R1.2 O=CN1CCOCC1 477872453b181b061009dc05da1525e4 [0,0,0,1,0,0|1,0,1]=3 383 B8R1.2 O=CN1CCSCC1 ef4056096863dc4bdb0fd1df8e6f14a0 [0,0,0,1,0,0|1,1,1]=4 384 B8R1.2 OCN1CC=CCC1 62ece6a5f9d8ed840fd2002de05e26aa [0,0,0,1,0,0|2,0,1]=4 385 B8R1.2 OCN1CCCOC1 5d3795378d3cf5e5400d928253cd75c6 [0,0,0,1,0,0|3,0,0]=4 386 B8R1.2 OCN1CCCSC1 29a305b970bef8ec6ed20eb90ae3d8b0 [0,0,0,1,0,0|3,0,0]=4 387 B8R1.2 OCN1CCOCC1 3c0de8397d4dab0c1377ef06b9b6455d [0,0,0,1,0,0|1,0,0]=2 388 B8R1.2 OCN1CCSCC1 4d391d2b8bcebf873f589c97ea63c0e7 [0,0,0,1,0,0|1,1,0]=3 389 B8R1.8 C#CCN1CCSC1 a2598ea4e9dc91a277db96029979054c [0,0,0,1,0,0|2,0,1]=4 390 B8R1.8 C=CCN1CCSC1 c7bae508a3ddd5996edad585492313e9 [0,0,0,1,0,0|2,0,1]=4 391 B8R1.8 CCCN1CC=CC1 dffb66591d4209c0345506bebd28f7c4 [0,0,0,1,0,0|1,0,2]=4 392 B8R1.8 CCCN1CCSC1 4eb37c52d022d9b252d68ff1a2c12b91 [0,0,0,1,0,0|2,0,0]=3 393 B8R1.8 CCNC1CCCC1 abbec96cb7bed76391f8cd34a2b780b6 [0,0,0,1,0,0|3,0,0]=4 394 B8R1.8 CCOC1CCCC1 ce4ece9e93729f2dc32c7121b6646f41 [0,0,0,1,0,0|3,0,0]=4 395 B8R1.8 COCN1CCSC1 1354a17cb52202250a85ab8a0568af11 [0,0,0,1,0,0|3,0,0]=4 396 B8R1.8 CSCN1CCSC1 9d3e3abde80ce9a8a19b07ba88ce837b [0,0,0,1,0,0|3,0,0]=4 397 B8R1.8 FCCN1CC=CC1 dea2f32d880ffec8c030f12cd1f2a7b9 [0,0,0,1,0,0|1,0,2]=4 398 B8R1.8 FCCN1CCSC1 6af16dfa6898a2480480632ee8bf7317 [0,0,0,1,0,0|2,0,0]=3 399 B8R1.8 FCNC1CCCC1 aa1dda43fcc2c9304287b028aaf95907 [0,0,0,1,0,0|3,0,0]=4 400 B8R1.8 FCOC1CCCC1 3a18d808c8ea803a7e2173107aa8436c [0,0,0,1,0,0|3,0,0]=4 401 B8R1.8 N#CCN1CCSC1 01cfcb44ad21c4f3af06ec93ded0b82d [0,0,0,1,0,0|2,0,1]=4 402 B8R1.8 O=CCN1CCSC1 14861ad96d7cd5c90441f6d38859a442 [0,0,0,1,0,0|1,0,2]=4 403 B8R1.8 OCCN1CC=CC1 d8348ec800744cd0d63d462c0c3539da [0,0,0,1,0,0|0,0,2]=3 404 B8R1.8 OCCN1CCSC1 67a404917dcee6f4aa03a761c726b678 [0,0,0,1,0,0|1,0,0]=2 405 B8R1.8 OCNC1CCCC1 bd97d9ff634af16a4e2cdcc6aa11ca03 [0,0,0,1,0,0|2,0,0]=3 406 B8R1.8 OCNC1CCOC1 2fc8497bfce18cddcd2256e4a71178b1 [0,0,0,1,0,0|3,0,0]=4 407 B8R1.8 OCNC1CCSC1 520716c40740b9955fcb51f1f158ca19 [0,0,0,1,0,0|3,0,0]=4 408 B8R1.8 OCN[C@@H]1CCOC1 6debdc226aca736be6aa7594d0bc0c90 [0,0,0,1,0,0|3,0,0]=4 409 B8R1.8 OCN[C@H]1CCOC1 30751a1a06fdde461d2f17b22a6d40ea [0,0,0,1,0,0|3,0,0]=4 410 B8R1.8 SCCN1CC=CC1 232d1f2e4158ce843d31146d8ee8ec7f [0,0,0,1,0,0|0,1,2]=4 411 B8R1.8 SCCN1CCSC1 f1d337fb2e1392cc6e55ab3e453d1142 [0,0,0,1,0,0|1,1,0]=3 412 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [0,0,0,1,0,0|2,0,1]=4 413 B8R1.11 CC1CCCN1CF fe20c957914c646b3b4006d1b063b75a [0,0,0,1,0,0|2,0,0]=3 414 B8R1.11 CC1CCCN1CO 54974954fab0e072c3e5d67d217551d6 [0,0,0,1,0,0|2,0,0]=3 415 B8R1.11 CC1SCCN1C=O a4140bf0d296ba848f3453d4bea5de05 [0,0,0,1,0,0|1,1,1]=4 416 B8R1.11 CC1SCCN1CF 1a8381f1c2fe5a108b794e80a5ee4e38 [0,0,0,1,0,0|1,1,0]=3 417 B8R1.11 CC1SCCN1CO b0a76bbb389aad74120dd519ae652ff1 [0,0,0,1,0,0|1,1,0]=3 418 B8R1.11 CCN1CCCC1C 74d058d7956efbc8ae4ef590fc86d9c6 [0,0,0,1,0,0|1,0,0]=2 419 B8R1.11 CCN1CCCC1O 146566e537ef7a9790c7ffe7385bae77 [0,0,0,1,0,0|2,0,0]=3 420 B8R1.11 CCN1CCC[C@@H]1C 5bf7e722ced97ef7aec7490b4d0dc25a [0,0,0,1,0,0|1,0,0]=2 421 B8R1.11 CCN1CCC[C@H]1C e74b9532535bc2eef7ae4850e9df5331 [0,0,0,1,0,0|1,0,0]=2 422 B8R1.11 CCN1CCSC1C 6a56b5c1b50abad68d5899af3448227e [0,0,0,1,0,0|0,1,0]=2 423 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [0,0,0,1,0,0|2,0,1]=4 424 B8R1.11 C[C@@H]1CCCN1CF e9b99bb24d3baf133d2b2e0829d1f9dd [0,0,0,1,0,0|2,0,0]=3 425 B8R1.11 C[C@@H]1CCCN1CO 4fcb8232d21346615f4cbb83427dc320 [0,0,0,1,0,0|2,0,0]=3 426 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [0,0,0,1,0,0|2,0,1]=4 427 B8R1.11 C[C@H]1CCCN1CF dcda868098b241037a860e32aa3597cd [0,0,0,1,0,0|2,0,0]=3 428 B8R1.11 C[C@H]1CCCN1CO 2f61618a874473c8038742f46c63e99b [0,0,0,1,0,0|2,0,0]=3 429 B8R1.11 OC1CCCN1CF c790b4455a65a534413a9c15340a6b8e [0,0,0,1,0,0|3,0,0]=4 430 B8R1.11 OCN1CCCC1O 2e2202d296df0fbf3a7f469e1d91c122 [0,0,0,1,0,0|3,0,0]=4 431 B8R1.12 CCC1CCN1C=O 4d6ef5a44aefaf3ec9d57c4c6afb459e [0,0,0,1,0,0|2,0,1]=4 432 B8R1.12 CCC1CCN1CC 821fbbe29ed1b9d1547efa94187e7e9f [0,0,0,1,0,0|1,0,0]=2 433 B8R1.12 CCC1CCN1CF 2af23cf7c66aae8dbbf135025a194011 [0,0,0,1,0,0|2,0,0]=3 434 B8R1.12 CCC1CCN1CO caf0ac1fced23c53f6877050d9fa7187 [0,0,0,1,0,0|2,0,0]=3 435 B8R1.12 CCN1CCC1CO 4a86a7023e5eed3f4bee98bf807599f5 [0,0,0,1,0,0|0,0,0]=1 436 B8R1.12 CCN1CC[C@@H]1CO 889ccfb257cad18d8dd60c85bff286ee [0,0,0,1,0,0|0,0,0]=1 437 B8R1.12 CCN1CC[C@H]1CO 7975cca06fafca3d5a4bc8349f95250e [0,0,0,1,0,0|0,0,0]=1 438 B8R1.12 O=CN1CCC1CO edd971460a08454ceeb6be017da9f618 [0,0,0,1,0,0|1,0,1]=3 439 B8R1.12 O=CN1CC[C@@H]1CO ce19f0bce3454d05cb7c121458132ef7 [0,0,0,1,0,0|1,0,1]=3 440 B8R1.12 O=CN1CC[C@H]1CO e22630134adf9d5eaa8ff5bdd2c4924a [0,0,0,1,0,0|1,0,1]=3 441 B8R1.12 OCC1CCN1CF 54c9da261877e12e7953220dc99ac886 [0,0,0,1,0,0|1,0,0]=2 442 B8R1.12 OCC1CCN1CO 6f5999e2d6210a45899e16922fbbca8c [0,0,0,1,0,0|1,0,0]=2 443 B8R1.12 OC[C@@H]1CCN1CF 3ace3005e70dcc5f7c624bd2ca1ff323 [0,0,0,1,0,0|1,0,0]=2 444 B8R1.12 OC[C@@H]1CCN1CO a558872b42b196932e71111ad2bff9a1 [0,0,0,1,0,0|1,0,0]=2 445 B8R1.12 OC[C@H]1CCN1CF ad8d3d64cf5f70e33b7fd74857a35e0d [0,0,0,1,0,0|1,0,0]=2 446 B8R1.12 OC[C@H]1CCN1CO 340168ce4e6427066968812c13eb91da [0,0,0,1,0,0|1,0,0]=2 447 B8R1.13 CC1OCC1NCO 9cfb96188a625e9112cbf03494a5058b [0,0,0,1,0,0|3,0,0]=4 448 B8R1.13 CCN[C@@H]1CC[C@H]1C b2a7a1306f6d284a439c237328784f14 [0,0,0,1,0,0|3,0,0]=4 449 B8R1.13 CCN[C@H]1CC[C@H]1C afc3ebb3c9df554bbf3e4778dd720d68 [0,0,0,1,0,0|3,0,0]=4 450 B8R1.13 C[C@@H]1CC[C@@H]1NCF 6b38eed80c01be6c9debc46a3a554bff [0,0,0,1,0,0|3,0,0]=4 451 B8R1.13 C[C@@H]1CC[C@@H]1NCO 2960d592a0e513b93c75efb384f4f549 [0,0,0,1,0,0|2,0,0]=3 452 B8R1.13 C[C@@H]1CC[C@H]1NCF 942b8307f34c60e7d4ef1a19714a9740 [0,0,0,1,0,0|3,0,0]=4 453 B8R1.13 C[C@@H]1CC[C@H]1NCO 451b99fc958d625f841e0dfd131356c8 [0,0,0,1,0,0|2,0,0]=3 454 B8R1.13 OCNC1CCC1F ac2d6566e7c5b3bc373e327a47cf999c [0,0,0,1,0,0|3,0,0]=4 455 B8R1.13 OCNC1CCC1O ee3d1ca48a3a8027104c31b638f55ef5 [0,0,0,1,0,0|3,0,0]=4 456 B8R1.13 OCN[C@@H]1CC[C@@H]1O fc73bae007c62d0d044e9a1d9eb62eb2 [0,0,0,1,0,0|3,0,0]=4 457 B8R1.13 OCN[C@@H]1CC[C@H]1O 06327c2896ffa6f771953b4ac9aab6b0 [0,0,0,1,0,0|3,0,0]=4 458 B8R1.13 OCN[C@H]1CC[C@@H]1O 7e11d05646534378fc00e5b3d5382683 [0,0,0,1,0,0|3,0,0]=4 459 B8R1.13 OCN[C@H]1CC[C@H]1O 6cb11bc302f667e46ffb6e15bc1b294f [0,0,0,1,0,0|3,0,0]=4 460 B8R1.33 CCN(C=O)C1CC1 01cfb1cb1bee8be07aafce80b6f4fac9 [0,0,0,1,0,0|2,0,1]=4 461 B8R1.33 CCN(CC)C1CC1 02958adcff0a7d194ef323330d43edec [0,0,0,1,0,0|1,0,0]=2 462 B8R1.33 CCN(CF)C1CC1 c22625f7484d23ec00a610d0c7c7894f [0,0,0,1,0,0|2,0,0]=3 463 B8R1.33 CCN(CO)C1CC1 f84b0e969411df23ddfa09dc1cc6fa33 [0,0,0,1,0,0|2,0,0]=3 464 B8R1.82 OCNC1(CC1)CO 95594e86bcffa6f3538d8204cb12eb62 [0,0,0,1,0,0|3,0,0]=4 465 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [2,0,0,0,0,0|1,0,1]=4 466 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [2,0,0,0,0,0|1,0,0]=3 467 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [2,0,0,0,0,0|2,0,0]=4 468 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [2,0,0,0,0,0|2,0,0]=4 469 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [2,0,0,0,0,0|2,0,0]=4 470 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [2,0,0,0,0,0|1,0,1]=4 471 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [2,0,0,0,0,0|1,0,0]=3 472 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [2,0,0,0,0,0|1,0,0]=3 473 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [2,0,0,0,0,0|1,0,0]=3 474 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [2,0,0,0,0,0|0,0,0]=2 475 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [2,0,0,0,0,0|0,1,0]=3 476 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [2,0,0,0,0,0|2,0,0]=4 477 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [2,0,0,0,0,0|1,1,0]=4 478 B5R0.2 FCCNCF 3f146e38f81fa4f5bf67d0f4217d666d [2,0,0,0,0,0|2,0,0]=4 479 B5R0.2 FCNCCBr ebb4ae71bfedb68f39fc2b9156885a92 [2,0,0,0,0,0|2,0,0]=4 480 B5R0.2 FCNCCI 6147f2646233ff1a06aa8fb273c4329d [2,0,0,0,0,0|2,0,0]=4 481 B5R0.2 FCNCCS ce51a6a3077027e3188387d313defd97 [2,0,0,0,0,0|1,1,0]=4 482 B5R0.2 N#CNCCO 4fe025328d8e2b561fe449e861e4b637 [2,0,0,0,0,0|1,0,1]=4 483 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [2,0,0,0,0,0|1,0,1]=4 484 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [2,0,0,0,0,0|1,0,0]=3 485 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [2,0,0,0,0,0|1,0,0]=3 486 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [2,0,0,0,0,0|2,0,0]=4 487 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [2,0,0,0,0,0|2,0,0]=4 488 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [2,0,0,0,0,0|2,0,0]=4 489 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [2,0,0,0,0,0|1,1,0]=4 490 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [2,0,0,0,0,0|0,0,2]=4 491 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [2,0,0,0,0,0|0,0,0]=2 492 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [2,0,0,0,0,0|1,0,0]=3 493 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [2,0,0,0,0,0|0,0,0]=2 494 B7R0.2 C=C(Br)CN(C)CC a95e900b3ccec6668bc411630f5decf3 [1,1,0,0,0,0|1,0,1]=4 495 B7R0.2 C=C(C)CN(C)CC f46aa4737385fde5ecca127cfe0fb11b [1,1,0,0,0,0|1,0,1]=4 496 B7R0.2 C=C(Cl)CN(C)CC 85a42652568d865a3db0ed61404dde1c [1,1,0,0,0,0|1,0,1]=4 497 B7R0.2 CC(C)CN(C)CF f2a6b79f5877628929a1b31fd183a5d0 [1,1,0,0,0,0|2,0,0]=4 498 B7R0.2 CC(C)CN(C)CO 0b6bf7cc82aa91188fc000497729e3d4 [1,1,0,0,0,0|2,0,0]=4 499 B7R0.2 CC(O)CN(C)C=O 327f1a278ffacbbe3e88f0ce0c9edbdc [1,1,0,0,0,0|1,0,1]=4 500 B7R0.2 CC(O)CN(C)CF c09526189cafd23891f682c66649d125 [1,1,0,0,0,0|1,0,0]=3 501 B7R0.2 CC(O)CN(C)CO 3b7f6558a4b553a3af9a1035d866a39e [1,1,0,0,0,0|1,0,0]=3 502 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [1,1,0,0,0,0|0,0,2]=4 503 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [1,1,0,0,0,0|0,0,1]=3 504 B7R0.2 CCN(C)CC(C)C b1801f5d5c3a2fe65e0c5338da1b288f [1,1,0,0,0,0|1,0,0]=3 505 B7R0.2 CCN(C)CC(C)O 22c796f149474196e01f5a861b83c652 [1,1,0,0,0,0|0,0,0]=2 506 B7R0.2 CCN(C)CC(F)F ffb0011f568ae55bb7bb9747777b52af [1,1,0,0,0,0|1,0,0]=3 507 B7R0.2 CCN(C)CN(C)C f99659c98f126cf47210322e6b249111 [1,1,0,0,0,0|2,0,0]=4 508 B7R0.2 CCN(C)C[C@@H](C)O e1fc7c21afedf382169569842ae9d9da [1,1,0,0,0,0|0,0,0]=2 509 B7R0.2 CCN(C)C[C@H](C)O 2fe5de7e3e442679b65eac3f37bae166 [1,1,0,0,0,0|0,0,0]=2 510 B7R0.2 CCN(C)C[N+](=O)[O-] 1747c815c0bddd9b3eea2e8a91b60fbe [1,1,0,0,0,0|1,0,1]=4 511 B7R0.2 CN(CF)CC(=O)O 7d1eb1d71c500640f6029a70869bff49 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.2 CN(CF)CC(F)F 3ce67ecd067dc3b5c0409e5a64b0bbbe [1,1,0,0,0,0|2,0,0]=4 513 B7R0.2 CN(CO)CC(=O)O e8788fe9a5132c43f9e5136dbe3278ce [1,1,0,0,0,0|1,0,1]=4 514 B7R0.2 CN(CO)CC(F)F c19961e26bc0fd66197092950a862b42 [1,1,0,0,0,0|2,0,0]=4 515 B7R0.2 C[C@H](O)CN(C)C=O 25d41e47dcdadeb17ce6f98cdd60ebbc [1,1,0,0,0,0|1,0,1]=4 516 B7R0.2 C[C@H](O)CN(C)CF 5a09021deee6ed4ea8f52ce12dc22c90 [1,1,0,0,0,0|1,0,0]=3 517 B7R0.2 C[C@H](O)CN(C)CO c3ae4b5b307547a59cb2b787e087330e [1,1,0,0,0,0|1,0,0]=3 518 B7R0.3 C#CCCN(C)CC 01ca83eb61fbc9c94adbced8a51db44e [1,1,0,0,0,0|1,0,0]=3 519 B7R0.3 C#CCCN(C)CF 8781b25d330c2c44a7bf5d53e0d878d0 [1,1,0,0,0,0|2,0,0]=4 520 B7R0.3 C#CCCN(C)CO 3456b7202c86ce20c9db5825f2600d97 [1,1,0,0,0,0|2,0,0]=4 521 B7R0.3 C/C=C/CN(C)CC a833def0c5a9483904429a6d4fa647bf [1,1,0,0,0,0|1,0,1]=4 522 B7R0.3 C/C=C\CN(C)CC 0d52835f1d4ec546901139cc9ef0efe3 [1,1,0,0,0,0|1,0,1]=4 523 B7R0.3 C=CCCN(C)CC 224a5773b1b84beacfc8f44066799c60 [1,1,0,0,0,0|1,0,0]=3 524 B7R0.3 C=CCCN(C)CF 5463399a5f95f1fae09b7b6e3e379754 [1,1,0,0,0,0|2,0,0]=4 525 B7R0.3 C=CCCN(C)CO 579b9235661212985211ec5a8a4dba41 [1,1,0,0,0,0|2,0,0]=4 526 B7R0.3 CC(CO)CNCO 21fb23aa708a9b1afe928be1d7d3777a [1,1,0,0,0,0|2,0,0]=4 527 B7R0.3 CC(CO)NCCO 5cd093cef9425d970f2779cfd472d185 [1,1,0,0,0,0|2,0,0]=4 528 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [1,1,0,0,0,0|2,0,0]=4 529 B7R0.3 CCC(C)CNCF b50ea40d2446dde4a785720e8c9ab76e [1,1,0,0,0,0|2,0,0]=4 530 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [1,1,0,0,0,0|1,0,0]=3 531 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [1,1,0,0,0,0|2,0,0]=4 532 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [1,1,0,0,0,0|2,0,0]=4 533 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [1,1,0,0,0,0|2,0,0]=4 534 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [1,1,0,0,0,0|1,0,0]=3 536 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [1,1,0,0,0,0|1,1,0]=4 537 B7R0.3 CCC(C)NCOC 7706fa764743624f662862fda01b7a28 [1,1,0,0,0,0|2,0,0]=4 538 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [1,1,0,0,0,0|2,0,0]=4 539 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [1,1,0,0,0,0|1,1,0]=4 540 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [1,1,0,0,0,0|2,0,0]=4 541 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [1,1,0,0,0,0|2,0,0]=4 542 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [1,1,0,0,0,0|1,0,0]=3 543 B7R0.3 CCCCN(C)CF be372279d4be2902bb76b9de8a48abc5 [1,1,0,0,0,0|2,0,0]=4 544 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [1,1,0,0,0,0|2,0,0]=4 545 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [1,1,0,0,0,0|2,0,0]=4 546 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [1,1,0,0,0,0|2,0,0]=4 547 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [1,1,0,0,0,0|2,0,0]=4 548 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [1,1,0,0,0,0|2,0,0]=4 549 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [1,1,0,0,0,0|2,0,0]=4 550 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [1,1,0,0,0,0|2,0,0]=4 551 B7R0.3 CCN(C)C/C=C/Cl 823585dad91397251f5e992cc63297db [1,1,0,0,0,0|1,0,1]=4 552 B7R0.3 CCN(C)C/C=C\Cl c5e2db65672dae81ab8ccdee907a4957 [1,1,0,0,0,0|1,0,1]=4 553 B7R0.3 CCN(C)C/C=C\O 60deab8000357700021216d9934790c2 [1,1,0,0,0,0|0,0,1]=3 554 B7R0.3 CCN(C)CCC#N 911157a043342786564f3eb320b58369 [1,1,0,0,0,0|1,0,0]=3 555 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [1,1,0,0,0,0|0,0,1]=3 556 B7R0.3 CCN(C)CCCF 58d987982e58376deaac7a021f590114 [1,1,0,0,0,0|1,0,0]=3 557 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [1,1,0,0,0,0|0,0,0]=2 558 B7R0.3 CCN(C)CCCS 4332e180b042c428772cc564602cf5d6 [1,1,0,0,0,0|0,1,0]=3 559 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [1,1,0,0,0,0|0,0,0]=2 560 B7R0.3 CCN(C)CCON dca6e8ee84d04b2409e73b61f0963e17 [1,1,0,0,0,0|0,0,0]=2 561 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [1,1,0,0,0,0|0,1,0]=3 562 B7R0.3 CCN(C)CSC#N b0b55ce00011d51251f4eb1912f76d61 [1,1,0,0,0,0|1,0,1]=4 563 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [1,1,0,0,0,0|2,0,0]=4 564 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [1,1,0,0,0,0|2,0,0]=4 565 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [1,1,0,0,0,0|2,0,0]=4 566 B7R0.3 CCOCN(C)CC 943ae7cd82ee7e4032615894df227ae8 [1,1,0,0,0,0|1,0,0]=3 567 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [1,1,0,0,0,0|2,0,0]=4 568 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [1,1,0,0,0,0|2,0,0]=4 569 B7R0.3 CC[C@@H](C)COCF 27ee9a97e87757a57bbd2473b47c8a0b [1,1,0,0,0,0|2,0,0]=4 570 B7R0.3 CC[C@@H](C)NCCF 93d07692499e3b9aec2552214e2ff53f [1,1,0,0,0,0|2,0,0]=4 571 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [1,1,0,0,0,0|1,0,0]=3 572 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [1,1,0,0,0,0|1,1,0]=4 573 B7R0.3 CC[C@@H](C)NCOC 6f18e43812c50f5929ea1f0282d55276 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [1,1,0,0,0,0|2,0,0]=4 575 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [1,1,0,0,0,0|1,1,0]=4 576 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [1,1,0,0,0,0|2,0,0]=4 577 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [1,1,0,0,0,0|2,0,0]=4 578 B7R0.3 CC[C@H](C)CNCF d271465589c016cce21e3753bb72dfde [1,1,0,0,0,0|2,0,0]=4 579 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [1,1,0,0,0,0|1,0,0]=3 580 B7R0.3 CC[C@H](C)COCF 4d1b50442964dee0f36120907b5bf9ca [1,1,0,0,0,0|2,0,0]=4 581 B7R0.3 CC[C@H](C)NCCF c11007e79ee49cb1e974e79b53eb68c8 [1,1,0,0,0,0|2,0,0]=4 582 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [1,1,0,0,0,0|1,0,0]=3 583 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [1,1,0,0,0,0|1,1,0]=4 584 B7R0.3 CC[C@H](C)NCOC 487baefd593a366fd401fe5a0b33d07a [1,1,0,0,0,0|2,0,0]=4 585 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [1,1,0,0,0,0|2,0,0]=4 586 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [1,1,0,0,0,0|1,1,0]=4 587 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [1,1,0,0,0,0|2,0,0]=4 588 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [1,1,0,0,0,0|1,0,1]=4 589 B7R0.3 CN(C=O)CCON d47ef5089d159dbeeea35383bc86b277 [1,1,0,0,0,0|1,0,1]=4 590 B7R0.3 CN(CF)CCC#N db1fa58dc9f9facd080815f5d029a9e9 [1,1,0,0,0,0|2,0,0]=4 591 B7R0.3 CN(CF)CCCO d4f0b34db0d9c626af3b938b320480ee [1,1,0,0,0,0|1,0,0]=3 592 B7R0.3 CN(CF)CCON b28b71744b9420d3fe5bec0f9f3e697f [1,1,0,0,0,0|1,0,0]=3 593 B7R0.3 CN(CO)CCC#N e77ebb921e94a58b4ab05bdb73cc9833 [1,1,0,0,0,0|2,0,0]=4 594 B7R0.3 CN(CO)CCCO 50d216450d408b356dcec2a42a299a65 [1,1,0,0,0,0|1,0,0]=3 595 B7R0.3 CN(CO)CCON 9c2ef7d0d0911f18089b0c9ab5d1316f [1,1,0,0,0,0|1,0,0]=3 596 B7R0.3 COCCN(C)C=O 31e1cd7ac14afa72fee2870fbd09d003 [1,1,0,0,0,0|1,0,1]=4 597 B7R0.3 COCCN(C)CF cbc818a22d9e0a334cc2dbb905dc990d [1,1,0,0,0,0|1,0,0]=3 598 B7R0.3 COCCN(C)CO f3ab77dcf49e4ea629dcebe32a49a2b1 [1,1,0,0,0,0|1,0,0]=3 599 B7R0.3 CO[C@@H](C)CNCO ff28fd2c886f6ee1545aaf943963c99e [1,1,0,0,0,0|2,0,0]=4 600 B7R0.3 CO[C@H](C)CNCO ef2aaae2be2c576592de749a4d18a6e8 [1,1,0,0,0,0|2,0,0]=4 601 B7R0.3 CSCCN(C)CF 890b5ffb8cf7a6973b2ee7dfd458ffb1 [1,1,0,0,0,0|1,1,0]=4 602 B7R0.3 CSCCN(C)CO 3bce2c59e540fe3e66c7fb7a4d29cc3f [1,1,0,0,0,0|1,1,0]=4 603 B7R0.3 C[C@@H](CO)NCCO f533b151726db8df114b2e138c242e75 [1,1,0,0,0,0|2,0,0]=4 604 B7R0.3 C[C@H](CO)CNCO e7c0a7e8a9580f5a7445a0921a5a0780 [1,1,0,0,0,0|2,0,0]=4 605 B7R0.3 C[C@H](CO)NCCO 57e737113b903a53b0864be81471f1e6 [1,1,0,0,0,0|2,0,0]=4 606 B7R0.5 C#CCN(C)C(C)C 3dbde8408e4d2a075d256a7d30b5765d [1,1,0,0,0,0|1,0,1]=4 607 B7R0.5 C=CCN(C)C(C)C 96de01368c533ec0e3507154958af2ed [1,1,0,0,0,0|1,0,1]=4 608 B7R0.5 CC(=O)N(C)CCF 4c9e9e2bb017d5fcf5d5113705af3b65 [1,1,0,0,0,0|1,0,1]=4 609 B7R0.5 CC(=O)N(C)CCO ba457e3be79fea19f791558c60ef2a77 [1,1,0,0,0,0|0,0,1]=3 610 B7R0.5 CC(C)C(C)NCO 3e5c534ac08ff52ad797b9ecde6db54e [1,1,0,0,0,0|2,0,0]=4 611 B7R0.5 CC(C)N(C)CC#N d0d15547a218aac9b3147a62c8b0ad53 [1,1,0,0,0,0|1,0,1]=4 612 B7R0.5 CC(C)N(C)CC=O dce9ec45ecad4267effdc3296bdfc642 [1,1,0,0,0,0|0,0,2]=4 613 B7R0.5 CC(C)N(C)CCF bb72ad0b6f8866b4436bef306a64fc30 [1,1,0,0,0,0|1,0,0]=3 614 B7R0.5 CC(C)N(C)CCO 81a28f5ee4f12e11b2d2f617ef1d3581 [1,1,0,0,0,0|0,0,0]=2 615 B7R0.5 CC(C)N(C)CCS c1764d6a23c86a90688037664afc4e82 [1,1,0,0,0,0|0,1,0]=3 616 B7R0.5 CC(C)[C@@H](C)NCO dae9283d092fb775f557bbf40fd5342a [1,1,0,0,0,0|2,0,0]=4 617 B7R0.5 CC(C)[C@H](C)NCO 8adad5810c92a16d836b9deea9f0a802 [1,1,0,0,0,0|2,0,0]=4 618 B7R0.5 CC(O)C(C)NCO f5ad7a8ea3ea402c77cd7eb338910db7 [1,1,0,0,0,0|2,0,0]=4 619 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [1,1,0,0,0,0|1,0,1]=4 620 B7R0.5 CCCN(C)C(C)C 3141e8fbdc6c20712cffde27068901ab [1,1,0,0,0,0|1,0,0]=3 621 B7R0.5 COCN(C)C(C)C 56238f6328cf364463db0f0876210615 [1,1,0,0,0,0|2,0,0]=4 622 B7R0.5 CSCN(C)C(C)C 6bade958cb762672bfe3ad82fb307ca1 [1,1,0,0,0,0|2,0,0]=4 623 B7R0.7 C#CCN(C)CCC 612e0a8dc259a7d3bd70bcd5ce21a061 [1,1,0,0,0,0|1,0,1]=4 624 B7R0.7 C#CCN(C)CCF df29886d4ac161a548a9953e69193c99 [1,1,0,0,0,0|1,0,1]=4 625 B7R0.7 C#CCN(C)CCO 2ad3b74ccac932faf05fc96ebabb73e8 [1,1,0,0,0,0|0,0,1]=3 626 B7R0.7 C#CCN(C)CCS ea6c92d51fb4602fb7890a8adec77ea4 [1,1,0,0,0,0|0,1,1]=4 627 B7R0.7 C#CCN(C)COC e8633b7f971effc12aa02cc6c8d437b8 [1,1,0,0,0,0|1,0,1]=4 628 B7R0.7 C#CCN(C)CSC cf6cea4b6865efb6652c07d118f3814d [1,1,0,0,0,0|1,0,1]=4 629 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [1,1,0,0,0,0|1,0,1]=4 630 B7R0.7 C=CCN(C)CCF b31bc09de38c09b7eacc67cab349dd8e [1,1,0,0,0,0|1,0,1]=4 631 B7R0.7 C=CCN(C)CCO 979ac659399c5cc5526a5ffaafb300dd [1,1,0,0,0,0|0,0,1]=3 632 B7R0.7 C=CCN(C)CCS 39ef2c909095bde90a27bd83d01eb339 [1,1,0,0,0,0|0,1,1]=4 633 B7R0.7 C=CCN(C)COC 36534bf3b31eb577cc61ba87a9d55a6b [1,1,0,0,0,0|1,0,1]=4 634 B7R0.7 C=CCN(C)CSC f1be06c214da72bca84cecc462a1a3ad [1,1,0,0,0,0|1,0,1]=4 635 B7R0.7 CC(CCO)NCF e6f0c96e8564a4ffab447e5924afc7ff [1,1,0,0,0,0|2,0,0]=4 636 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [1,1,0,0,0,0|2,0,0]=4 637 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [1,1,0,0,0,0|2,0,0]=4 638 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [1,1,0,0,0,0|2,0,0]=4 639 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [1,1,0,0,0,0|2,0,0]=4 640 B7R0.7 CCCN(C)CC#N c34e551c8e457e324f03b5cf2a22f014 [1,1,0,0,0,0|1,0,1]=4 641 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [1,1,0,0,0,0|0,0,2]=4 642 B7R0.7 CCCN(C)CCC e4ba1afb5991f60dfc5178c264d147ac [1,1,0,0,0,0|1,0,0]=3 643 B7R0.7 CCCN(C)CCF 20bdd855ba3f41de089f8838592d613e [1,1,0,0,0,0|1,0,0]=3 644 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [1,1,0,0,0,0|0,0,0]=2 645 B7R0.7 CCCN(C)CCS b66b0b7cd1a916850f3ad9b440f8c270 [1,1,0,0,0,0|0,1,0]=3 646 B7R0.7 CCCN(C)COC 1bec3c8fb3df3a096c65e4d1b6c5e3f1 [1,1,0,0,0,0|1,0,0]=3 647 B7R0.7 CCCN(C)CSC 08af67ba2c61bafd912a4ccbd1478a94 [1,1,0,0,0,0|1,0,0]=3 648 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [1,1,0,0,0,0|2,0,0]=4 649 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [1,1,0,0,0,0|2,0,0]=4 650 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [1,1,0,0,0,0|2,0,0]=4 651 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [1,1,0,0,0,0|2,0,0]=4 652 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [1,1,0,0,0,0|1,0,0]=3 653 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [1,1,0,0,0,0|1,0,0]=3 654 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [1,1,0,0,0,0|1,0,0]=3 655 B7R0.7 CN(CC#N)CCF 3bc0828dbbba171bdbab8b6e58123b51 [1,1,0,0,0,0|1,0,1]=4 656 B7R0.7 CN(CC#N)CCO da549d8b05a367d96c2eb82090c24747 [1,1,0,0,0,0|0,0,1]=3 657 B7R0.7 CN(CC#N)CCS 6dd3033cb5ef37d53747570dda931809 [1,1,0,0,0,0|0,1,1]=4 658 B7R0.7 CN(CC=O)CCF e000d0184f9f374c5d6d2759945d9138 [1,1,0,0,0,0|0,0,2]=4 659 B7R0.7 CN(CC=O)CCO c9392a8ee79c46afd21599c8df016274 [1,1,0,0,0,0|0,0,1]=3 660 B7R0.7 CN(CCF)CCF bdb46c56f93255441856b85ff01eb9dd [1,1,0,0,0,0|1,0,0]=3 661 B7R0.7 CN(CCF)CCS 51a5a054c764c97b1b3f4764ff1b15f7 [1,1,0,0,0,0|0,1,0]=3 662 B7R0.7 CN(CCO)CCF 423bb7df0641cc2b0b9f40d044f22314 [1,1,0,0,0,0|0,0,0]=2 663 B7R0.7 CN(CCO)CCO ef0e337ef14d25ff6ba8a3c07f6d7053 [1,1,0,0,0,0|0,0,0]=2 664 B7R0.7 CN(CCO)CCS 8f9521937335f69fe4f66a692ec136fa [1,1,0,0,0,0|0,0,0]=2 665 B7R0.7 COCC(C)NCO 6c5d5187b65d28bd76ca5cd109efad49 [1,1,0,0,0,0|2,0,0]=4 666 B7R0.7 COCN(C)CC#N 44d137899a7a4587fa067b642019fa42 [1,1,0,0,0,0|1,0,1]=4 667 B7R0.7 COCN(C)CCF 462c4168e49a87fc94c059780d3b18c2 [1,1,0,0,0,0|1,0,0]=3 668 B7R0.7 COCN(C)CCO 5aba17f9d68b8c1f364bdcdaa93aa01e [1,1,0,0,0,0|0,0,0]=2 669 B7R0.7 COC[C@@H](C)NCO 5b123b6ebd0e85051da558c3ea88e6ed [1,1,0,0,0,0|2,0,0]=4 670 B7R0.7 COC[C@H](C)NCO d58653f64afc5f3d3534e35a74eeeaa8 [1,1,0,0,0,0|2,0,0]=4 671 B7R0.7 CSCN(C)CC#N 63f0ea4e5ce933e4951dd83f4f114974 [1,1,0,0,0,0|1,0,1]=4 672 B7R0.7 CSCN(C)CCF 9d16e27a475cba1630b67c24ce2c9bd7 [1,1,0,0,0,0|1,0,0]=3 673 B7R0.7 CSCN(C)CCO 7ed81f2aa884158a210c057b422414ea [1,1,0,0,0,0|0,0,0]=2 674 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [1,1,0,0,0,0|2,0,0]=4 675 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [1,1,0,0,0,0|2,0,0]=4 676 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [1,1,0,0,0,0|2,0,0]=4 677 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [1,1,0,0,0,0|2,0,0]=4 678 B7R0.10 C#CC(C)N(C)CC da354114903036d1fea5b0938f681f0b [1,1,0,0,0,0|1,0,1]=4 679 B7R0.10 C=CC(C)N(C)CC 4e19c64cea3fd4c093ea40cd82bb7bd4 [1,1,0,0,0,0|1,0,1]=4 680 B7R0.10 CC(CO)N(C)C=O 4659927dd4489ef42e67e78276d3b1b4 [1,1,0,0,0,0|1,0,1]=4 681 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [1,1,0,0,0,0|1,0,1]=4 682 B7R0.10 CCC(C)N(C)CC 7f98f3cb5d001a509589f6f457ffe6ca [1,1,0,0,0,0|1,0,0]=3 683 B7R0.10 CCC(C)N(C)CF d256e2823039dc8016c48630c6e9d811 [1,1,0,0,0,0|2,0,0]=4 684 B7R0.10 CCC(C)N(C)CO 1b36e6675b647f3c2b421b00c5b597a7 [1,1,0,0,0,0|2,0,0]=4 685 B7R0.10 CCN(C)C(=O)CF 54aaf1a54644f658afd3f400769d8763 [1,1,0,0,0,0|1,0,1]=4 686 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [1,1,0,0,0,0|0,0,1]=3 687 B7R0.10 CCN(C)C(=O)CS 733bcf40a4acbb7ca1e0cf3589cee1e7 [1,1,0,0,0,0|0,1,1]=4 688 B7R0.10 CCN(C)C(C)C=O 3a064273f8f7f25930c79a89d95b0e17 [1,1,0,0,0,0|0,0,2]=4 689 B7R0.10 CCN(C)C(C)CO bebabfe649434d11c02db23f8c999491 [1,1,0,0,0,0|0,0,0]=2 690 B7R0.10 CCN(C)[C@@H](C)CO 0928581d52d4c504aa98f7d51aa86889 [1,1,0,0,0,0|0,0,0]=2 691 B7R0.10 CCN(C)[C@H](C)C=O 193bc5a546dbc7ad240f6d8ae5d9f8d3 [1,1,0,0,0,0|0,0,2]=4 692 B7R0.10 CCN(C)[C@H](C)CO 9f8b649df632bf19345f656ecd33a6ed [1,1,0,0,0,0|0,0,0]=2 693 B7R0.10 C[C@@H](CO)N(C)C=O b94b965b512745cf284fdc052a9474ae [1,1,0,0,0,0|1,0,1]=4 694 B7R0.10 C[C@H](CO)N(C)C=O c4c1d9e89c0731cbc76ea32ef421fbca [1,1,0,0,0,0|1,0,1]=4 695 B7R0.11 CCC(C)(C)NCO 5370363c3b1f98f0757110805d0db933 [1,1,0,0,0,0|2,0,0]=4 696 B7R0.15 CCN(C=O)C(C)C 86649df767a092150d1d82b73f12f48f [1,1,0,0,0,0|0,0,2]=4 697 B7R0.15 CCN(CC)C(C)C 3f01a351ede1b688c65b6abfdefd7c48 [1,1,0,0,0,0|0,0,0]=2 698 B7R0.15 CCN(CF)C(C)C 9d5cf24a52f779b8159ba787e901de86 [1,1,0,0,0,0|1,0,0]=3 699 B7R0.15 CCN(CO)C(C)C 2e5cc72f2eec9d2d5cbf0a379e663ee8 [1,1,0,0,0,0|0,0,0]=2 700 B9R0.13 C#CCCN(CC)C(C)C 7f1bce9d191f2fabf88c47c7a6cfa333 [0,2,0,0,0,0|1,0,0]=3 701 B9R0.13 C/C=C/CN(CC)C(C)C 5a9267bbcdd667dfb4af01c838fb527e [0,2,0,0,0,0|1,0,1]=4 702 B9R0.13 C/C=C\CN(CC)C(C)C e26ba78d6472617a4a756c25c2978e61 [0,2,0,0,0,0|1,0,1]=4 703 B9R0.13 C=CCCN(CC)C(C)C 3200921efa7a503d19e801230164f0ec [0,2,0,0,0,0|1,0,0]=3 704 B9R0.13 C=CCCN(CF)C(C)C 7531390a9070256bf0dc9108cefd65b9 [0,2,0,0,0,0|2,0,0]=4 705 B9R0.13 C=CCCN(CO)C(C)C 386ff26bc5fa0c8c2ecfb75d98e1f095 [0,2,0,0,0,0|2,0,0]=4 706 B9R0.13 CC(C)C(CO)CNCO 04ac813a5303dc5ac7526617e5dbbe2c [0,2,0,0,0,0|2,0,0]=4 707 B9R0.13 CC(C)C(CO)NCCO 81f2c58579683a9f5e8fb793f5427785 [0,2,0,0,0,0|2,0,0]=4 708 B9R0.13 CC(C)N(C=O)CCCO 27062baf6d763893265c959953cb8392 [0,2,0,0,0,0|1,0,1]=4 709 B9R0.13 CC(C)N(CF)CCC#N ff82597eee4b3994bab8a634a9453866 [0,2,0,0,0,0|2,0,0]=4 710 B9R0.13 CC(C)N(CF)CCCO 07d73178811cf1b024665d80e119e8e3 [0,2,0,0,0,0|1,0,0]=3 711 B9R0.13 CC(C)N(CO)CCC#N 76f80d7ff0a4c01d7860e3779d434d1a [0,2,0,0,0,0|2,0,0]=4 712 B9R0.13 CC(C)N(CO)CCCO bcdb53e627ba21750c35bf9c4ac77d40 [0,2,0,0,0,0|1,0,0]=3 713 B9R0.13 CC(C)[C@@H](CO)NCCO 8b0af115473f3ad5350fdafeaf4b4d92 [0,2,0,0,0,0|2,0,0]=4 714 B9R0.13 CC(C)[C@H](CO)NCCO aa68acbe82df60b39cfda48184a1b294 [0,2,0,0,0,0|2,0,0]=4 715 B9R0.13 CC(O)C(CO)NCCO e8e64ad42b0bb3b2298e2323a445b0f8 [0,2,0,0,0,0|2,0,0]=4 716 B9R0.13 CCC(CNCO)N(C)C c6629027a104fdbcd6c6304aece90cdd [0,2,0,0,0,0|2,0,0]=4 717 B9R0.13 CCC(COCF)C(C)C 72bf18ad033e5895599c3dd1363e8a3e [0,2,0,0,0,0|2,0,0]=4 718 B9R0.13 CCC(NCCF)C(C)C a2d950067d8f8d44807bc6253e0fe939 [0,2,0,0,0,0|2,0,0]=4 719 B9R0.13 CCC(NCCO)C(C)C 3b89700e75d81994c3f2d63fbd183467 [0,2,0,0,0,0|1,0,0]=3 720 B9R0.13 CCC(NCCS)C(C)C 319600d6ff96feefb01f69bb3cbd1cd9 [0,2,0,0,0,0|1,1,0]=4 721 B9R0.13 CCC(NCOC)C(C)C 64485d15716ddc25c538bd66f9be1fed [0,2,0,0,0,0|2,0,0]=4 722 B9R0.13 CCC(OCCF)C(C)C c5b3020f35e471d3adcc7345f5fe3850 [0,2,0,0,0,0|2,0,0]=4 723 B9R0.13 CCC(OCCS)C(C)C 9adbc8b132da50a6f54174317e512c40 [0,2,0,0,0,0|1,1,0]=4 724 B9R0.13 CCC(OCOC)C(C)C 387f8d89cfb853305bb41d50c0b0248d [0,2,0,0,0,0|2,0,0]=4 725 B9R0.13 CCCCN(CC)C(=O)C 6dcc903ab553d1d8d7c18d1a9b5cfc71 [0,2,0,0,0,0|1,0,1]=4 726 B9R0.13 CCCCN(CC)C(C)C d2fec3f4b6b118e567b899bfb0498165 [0,2,0,0,0,0|1,0,0]=3 727 B9R0.13 CCCCN(CF)C(C)C faa1b0956b0dd5f1691ba3fc6117013c [0,2,0,0,0,0|2,0,0]=4 728 B9R0.13 CCCCN(CO)C(C)C bae4da43ba0d4bc84f976a55d33523e7 [0,2,0,0,0,0|2,0,0]=4 729 B9R0.13 CCCNC(CC)C(C)C 51b0f0b4b383eef792bb0f7033cc7219 [0,2,0,0,0,0|2,0,0]=4 730 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 0834a6fcf27e3845318fbc3dfc52345e [0,2,0,0,0,0|2,0,0]=4 731 B9R0.13 CCCN[C@H](CC)[C@@H](C)O 9f7d767220556d24a34d0957783cd0cc [0,2,0,0,0,0|2,0,0]=4 732 B9R0.13 CCCN[C@H](CC)[C@H](C)O 01968a52ca1e61279e0a659928fb1f77 [0,2,0,0,0,0|2,0,0]=4 733 B9R0.13 CCCOC(CC)C(C)C 137e8c880b059afebd0813f9cd0abac3 [0,2,0,0,0,0|2,0,0]=4 734 B9R0.13 CCN(C/C=C/Cl)C(C)C 61f9a5b38d0934114a2781fab78bcad0 [0,2,0,0,0,0|1,0,1]=4 735 B9R0.13 CCN(C/C=C\Cl)C(C)C 24d16168483c36c030f4f060b8ad87ab [0,2,0,0,0,0|1,0,1]=4 736 B9R0.13 CCN(C/C=C\O)C(C)C 0e160d57c6ccd35675723c80d327b75f [0,2,0,0,0,0|0,0,1]=3 737 B9R0.13 CCN(CCC#N)C(=O)C ac7c56afbe8ff96c5563c82829912dbd [0,2,0,0,0,0|1,0,1]=4 738 B9R0.13 CCN(CCC#N)C(C)C a8a3aec2b5fed9eb114aa9ebbc4f141b [0,2,0,0,0,0|1,0,0]=3 739 B9R0.13 CCN(CCC=O)C(C)C c20346c012cb6e8348461a660f432c1a [0,2,0,0,0,0|0,0,1]=3 740 B9R0.13 CCN(CCCF)C(C)C 01f65448fc7ec696893f9bd5d2f66c3c [0,2,0,0,0,0|1,0,0]=3 741 B9R0.13 CCN(CCCO)C(=O)C e7ae570efef2e6ba7964a40dfee99a87 [0,2,0,0,0,0|0,0,1]=3 742 B9R0.13 CCN(CCCO)C(C)C dd4cfc2615107076fc5ad9d999c11b25 [0,2,0,0,0,0|0,0,0]=2 743 B9R0.13 CCN(CCCS)C(C)C 918f9890a02b11a5dde9ea90281dd476 [0,2,0,0,0,0|0,1,0]=3 744 B9R0.13 CCN(CCOC)C(=O)C 859fe7d575d98ccb55858cdb23984d45 [0,2,0,0,0,0|0,0,1]=3 745 B9R0.13 CCN(CCOC)C(C)C 61edf5b932790ae053b12024146a9af6 [0,2,0,0,0,0|0,0,0]=2 746 B9R0.13 CCN(CCSC)C(C)C ac16675c16d5ad555f12ae2515add3b6 [0,2,0,0,0,0|0,1,0]=3 747 B9R0.13 CCOCC(CC)C(C)C 3296519ed0a43d1d65014d1a118a5d8b [0,2,0,0,0,0|2,0,0]=4 748 B9R0.13 CCOCN(CC)C(C)C 761f8338451ff564da6f971b33f34df1 [0,2,0,0,0,0|1,0,0]=3 749 B9R0.13 CC[C@@H](NCCF)[C@@H](C)O c79fe6bdc0d2474c2e57639bc6ca0c25 [0,2,0,0,0,0|2,0,0]=4 750 B9R0.13 CC[C@@H](NCCF)[C@H](C)O fd63cbebb8e41bfdf6bc8cab97e35563 [0,2,0,0,0,0|2,0,0]=4 751 B9R0.13 CC[C@@H](NCCO)[C@@H](C)O aa4c5b9e7af33b0654b92fe77d24e9e3 [0,2,0,0,0,0|1,0,0]=3 752 B9R0.13 CC[C@@H](NCCO)[C@H](C)O 36b6943fe3d7707bfd899fc98fa9efb2 [0,2,0,0,0,0|1,0,0]=3 753 B9R0.13 CC[C@@H](NCCS)[C@@H](C)O da53bbb2bbe8501577a983f7e638b518 [0,2,0,0,0,0|1,1,0]=4 754 B9R0.13 CC[C@@H](NCCS)[C@H](C)O 469b1ad47e7ced598531c28581638b65 [0,2,0,0,0,0|1,1,0]=4 755 B9R0.13 CC[C@@H](NCOC)[C@@H](C)O 084226cb31c3516e159c813e9a372364 [0,2,0,0,0,0|2,0,0]=4 756 B9R0.13 CC[C@@H](NCOC)[C@H](C)O c3aacdd797202e2e1b685f806aa8b777 [0,2,0,0,0,0|2,0,0]=4 757 B9R0.13 CC[C@H](NCCF)[C@@H](C)O a1fc4928cc8f6174c38808e2be3c7435 [0,2,0,0,0,0|2,0,0]=4 758 B9R0.13 CC[C@H](NCCO)[C@@H](C)O 2d6e4715c3f2e8007990067c18389919 [0,2,0,0,0,0|1,0,0]=3 759 B9R0.13 CC[C@H](NCCS)[C@@H](C)O a5149855e5090c6547f7f28488d8aa23 [0,2,0,0,0,0|1,1,0]=4 760 B9R0.13 CC[C@H](NCOC)[C@@H](C)O fd90a4f94f8bdbd8e3084f909f0285b6 [0,2,0,0,0,0|2,0,0]=4 761 B9R0.13 COCCN(C=O)C(C)C bd50571c1bcd53ab0105a2b5637e1626 [0,2,0,0,0,0|1,0,1]=4 762 B9R0.13 COCCN(CF)C(C)C 96424944f19874e3e719571b26000c6f [0,2,0,0,0,0|1,0,0]=3 763 B9R0.13 COCCN(CO)C(C)C 67481116f07ca6020f771af96a0e8450 [0,2,0,0,0,0|1,0,0]=3 764 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO fca54b01f9f01a535911d60fdccaa6fb [0,2,0,0,0,0|2,0,0]=4 765 B9R0.13 C[C@@H](O)[C@H](CO)NCCO 83ce3147ae3eab7b698aaab6d6c0a962 [0,2,0,0,0,0|2,0,0]=4 766 B9R0.13 C[C@H](O)[C@@H](CO)NCCO a23b1728a7617ef226536bcbc3909d9a [0,2,0,0,0,0|2,0,0]=4 767 B9R0.13 C[C@H](O)[C@H](CO)NCCO c43d2c422000cc36b10386608e6d9bb7 [0,2,0,0,0,0|2,0,0]=4 768 B9R0.26 CCC(C)NC(CC)CC c9e331c5b905463f1cb168a0cfd227db [0,2,0,0,0,0|2,0,0]=4 769 B9R0.26 CCC(C)OC(CC)CC ddcb2c47afc892c0d5d2d1a7413c9b01 [0,2,0,0,0,0|2,0,0]=4 770 B9R0.26 CCC(CC)CN(C)CC d0308f76abdc73e35126a86fa99b507a [0,2,0,0,0,0|2,0,0]=4 771 B9R0.26 CCC(CC)NC(=O)CO 3d4506a04430482b511a01e41631a735 [0,2,0,0,0,0|1,0,1]=4 772 B9R0.26 CCC(CC)NC(C)CO c7938266f5f3b5b7d22ce7a9e0de0c61 [0,2,0,0,0,0|1,0,0]=3 773 B9R0.26 CCC(CC)N[C@@H](C)CC a4d7604e61f546ef75d196c8933ad5ea [0,2,0,0,0,0|2,0,0]=4 774 B9R0.26 CCC(CC)N[C@@H](C)CO 0b3104f541be7546b274cab624871aaa [0,2,0,0,0,0|1,0,0]=3 775 B9R0.26 CCC(CC)N[C@H](C)CC e1db14e738e79c71dd257a0e06e9c75d [0,2,0,0,0,0|2,0,0]=4 776 B9R0.26 CCC(CC)N[C@H](C)CO 295bc2a79e5c4d9989922bfc5ecf6be3 [0,2,0,0,0,0|1,0,0]=3 777 B9R0.26 CCC(CC)OC(C)CF bc680c3b62f5f072fc94b55b65389dc7 [0,2,0,0,0,0|2,0,0]=4 778 B9R0.26 CCC(CC)OC(C)CS ea0407c6f1f6e7d0e118986a3ebd8bc7 [0,2,0,0,0,0|1,1,0]=4 779 B9R0.26 CCC(CC)O[C@@H](C)CC 53aa8c28e873ab36b09f16a91bd64869 [0,2,0,0,0,0|2,0,0]=4 780 B9R0.26 CCC(CC)O[C@H](C)CC e2dff15b4996518bcc1f7efa4886d4e9 [0,2,0,0,0,0|2,0,0]=4 781 B9R0.26 CCC(CC)O[C@H](C)CS 2057562b4963d12bcdb76661fe7a45b9 [0,2,0,0,0,0|1,1,0]=4 782 B9R0.26 CCC(CO)NC(C)CO 3d05b27be89d5aa85bf77a47798c5abd [0,2,0,0,0,0|2,0,0]=4 783 B9R0.26 CCC(CO)N[C@@H](C)CO 6afd7e752db2ca982b92860674a0e625 [0,2,0,0,0,0|2,0,0]=4 784 B9R0.26 CCC(CO)N[C@H](C)CO 838286419eede45af73a184cb8edd662 [0,2,0,0,0,0|2,0,0]=4 785 B9R0.26 CCC(O)CN(C=O)CC 64e7e2a9ab2b4074203b5452b29778e8 [0,2,0,0,0,0|1,0,1]=4 786 B9R0.26 CCC(O)CN(CC)CC eb371948ea3fe8b4228bd65a9b1ad8cb [0,2,0,0,0,0|0,0,0]=2 787 B9R0.26 CCC(O)CN(CC)CF 42c497b497dfd1921c04c8c62ec5cece [0,2,0,0,0,0|1,0,0]=3 788 B9R0.26 CCC(O)CN(CC)CO 5fe97378785e34bedb4f1dce10fa8403 [0,2,0,0,0,0|1,0,0]=3 789 B9R0.26 CC[C@@H](CO)NC(C)CO 434687dd2497e4d1578a99899545aa04 [0,2,0,0,0,0|2,0,0]=4 790 B9R0.26 CC[C@@H](CO)N[C@@H](C)CO 0aa4f9a5b45031401c8a8716bdcaca8d [0,2,0,0,0,0|2,0,0]=4 791 B9R0.26 CC[C@@H](CO)N[C@H](C)CO 18fbb299282e7de9f3cfa90648fdd01e [0,2,0,0,0,0|2,0,0]=4 792 B9R0.26 CC[C@H](CO)NC(C)CO 68c7def48ee299c70af0ab05b8e06dfe [0,2,0,0,0,0|2,0,0]=4 793 B9R0.26 CC[C@H](CO)N[C@@H](C)CO 4519439a0f4236a3fecb27325d342de9 [0,2,0,0,0,0|2,0,0]=4 794 B9R0.26 CC[C@H](CO)N[C@H](C)CO 3c156e9f5f34e2c909065556c805c388 [0,2,0,0,0,0|2,0,0]=4 795 B9R0.37 CCC(CC)C(C)OCF f00631ee7aeadb51dbaaf0bcefc9b6b1 [0,2,0,0,0,0|2,0,0]=4 796 B9R0.37 CCC(CC)N(C)CCF 15df19c9313f2c55a25a2547a79b3f3a [0,2,0,0,0,0|2,0,0]=4 797 B9R0.37 CCC(CC)N(C)CCO 2077afc67fc424762963887917e664d5 [0,2,0,0,0,0|1,0,0]=3 798 B9R0.37 CCC(CC)N(C)CCS 67a8455eebbcbcaadfd77c5152b57c68 [0,2,0,0,0,0|1,1,0]=4 799 B9R0.37 CCC(CC)N(C)COC d6d9f6f3904ce0ad412795d984a9240e [0,2,0,0,0,0|2,0,0]=4 800 B9R0.37 CCC(CO)N(C)CCO 5246a1f98c3855b1c83a82ae3052bac7 [0,2,0,0,0,0|2,0,0]=4 801 B9R0.37 CCCN(C)C(CC)CC de1c00df03d033b9a2e9bb9197943d53 [0,2,0,0,0,0|2,0,0]=4 802 B9R0.37 CCN(C=O)C(C)CCO 7a309610cc1b9339501c2ffd01c206f3 [0,2,0,0,0,0|1,0,1]=4 803 B9R0.37 CCN(CC)C(C)CCO 83682a986540b5b46b08598be8e13b09 [0,2,0,0,0,0|0,0,0]=2 804 B9R0.37 CCN(CF)C(C)CCO 4e12abb01d82627b14217c25ac08a0aa [0,2,0,0,0,0|1,0,0]=3 805 B9R0.37 CCN(CO)C(C)CCO 2e6cc28db2a9ac7c0f4137aa7f8a03bf [0,2,0,0,0,0|1,0,0]=3 806 B9R0.37 CCOC(C)C(CC)CC 28669fd5772db4c0bae67386c2ce6731 [0,2,0,0,0,0|2,0,0]=4 807 B9R0.40 C#CCCN(CC)CC#N 2a677e1cdf833a4b19d4e151b533c9df [0,2,0,0,0,0|1,0,1]=4 808 B9R0.40 C#CCCN(CC)CCC 6bd42879d8f009e09fe9c8264dae7591 [0,2,0,0,0,0|1,0,0]=3 809 B9R0.40 C#CCCN(CC)CCCl f118fa6234a88d9c701e23e30808ad59 [0,2,0,0,0,0|1,0,0]=3 810 B9R0.40 C#CCCN(CC)CCO 1af9979dfa92117332a4fff5aaee7664 [0,2,0,0,0,0|0,0,0]=2 811 B9R0.40 C#CCCN(CO)CCO 7f5eafe6c99c25866c6257a3ea57e6d8 [0,2,0,0,0,0|1,0,0]=3 812 B9R0.40 C#CCN(CC)CCC#N 1e1ca99996406063a4a51761020eaf94 [0,2,0,0,0,0|1,0,1]=4 813 B9R0.40 C#CCN(CC)CCCC 9579702bf66eb788f0f66580dbc8fb45 [0,2,0,0,0,0|1,0,1]=4 814 B9R0.40 C#CCN(CC)CCCO a019200e0e36e147f4130becf8b20155 [0,2,0,0,0,0|0,0,1]=3 815 B9R0.40 C#CCN(CC)CCOC 0f1db79d9f25e3bd8bfbec24279b05b4 [0,2,0,0,0,0|0,0,1]=3 816 B9R0.40 C#CCN(CF)CCOC 54bb597333b4e5ff6d7c05414542634b [0,2,0,0,0,0|1,0,1]=4 817 B9R0.40 C#CCN(CO)CCOC af9b77ebbe574394834e0c0a96c5fdeb [0,2,0,0,0,0|1,0,1]=4 818 B9R0.40 C/C=C/CN(CC)CC#N fc8c0020dcb43916d8e2c612e9fb1c1f [0,2,0,0,0,0|1,0,1]=4 819 B9R0.40 C/C=C/CN(CC)CCC 23c88cc6586c9c9fe0223712de26a265 [0,2,0,0,0,0|1,0,0]=3 820 B9R0.40 C/C=C/CN(CC)CCCl 19c8892a248957f34b93db238e2abe77 [0,2,0,0,0,0|1,0,0]=3 821 B9R0.40 C/C=C/CN(CC)CCO 6c385e91227c0ce7e5eb2062319010c7 [0,2,0,0,0,0|0,0,0]=2 822 B9R0.40 C/C=C/CN(CO)CCO b8976049761019ca2e0048f5a1386173 [0,2,0,0,0,0|1,0,0]=3 823 B9R0.40 C/C=C\CN(CC)CC#N c55fee6f50cdb8f5a2a6cc75486c1bda [0,2,0,0,0,0|1,0,1]=4 824 B9R0.40 C/C=C\CN(CC)CCC dbf33531759b463c6023754d2bd7558d [0,2,0,0,0,0|1,0,0]=3 825 B9R0.40 C/C=C\CN(CC)CCCl 5cf80f8b95c6a2a5d4904cf1d26085af [0,2,0,0,0,0|1,0,0]=3 826 B9R0.40 C/C=C\CN(CC)CCO 078564a645d168eed6831cfbd7c0750c [0,2,0,0,0,0|0,0,0]=2 827 B9R0.40 C/C=C\CN(CO)CCO 15a4175572ea11e949d41e663a090c31 [0,2,0,0,0,0|1,0,0]=3 828 B9R0.40 C=CCCN(C=O)CCO 8689e6a56922795c6b23738d833f53a7 [0,2,0,0,0,0|1,0,1]=4 829 B9R0.40 C=CCCN(CC)CC#N 6ee8bf83df2fedc2e4a19f5c513c416c [0,2,0,0,0,0|1,0,1]=4 830 B9R0.40 C=CCCN(CC)CC=C fd6b515d8812b3ab44c076a8c494abf8 [0,2,0,0,0,0|1,0,1]=4 831 B9R0.40 C=CCCN(CC)CCC 135cbbf584a4acb04a30928aa6f0793f [0,2,0,0,0,0|1,0,0]=3 832 B9R0.40 C=CCCN(CC)CCCl 9ef484c8ccd27adad3f663a50769c96b [0,2,0,0,0,0|1,0,0]=3 833 B9R0.40 C=CCCN(CC)CCO 0be35d8df551642526ebdeadbbf57f70 [0,2,0,0,0,0|0,0,0]=2 834 B9R0.40 C=CCCN(CF)CCO b437e428aed5764461b5c0e69625e696 [0,2,0,0,0,0|1,0,0]=3 835 B9R0.40 C=CCCN(CO)CCO f95fca2de3c582185cb31a57786e60f5 [0,2,0,0,0,0|1,0,0]=3 836 B9R0.40 C=CCN(CC)CCC#N 571bef2189d8b370aa2b1e0f78f05239 [0,2,0,0,0,0|1,0,1]=4 837 B9R0.40 C=CCN(CC)CCCC d814498b4a5b7479f8f036e4ba7f7ad9 [0,2,0,0,0,0|1,0,1]=4 838 B9R0.40 C=CCN(CC)CCCO b2915f5a079d90b7caf771e16ef436d2 [0,2,0,0,0,0|0,0,1]=3 839 B9R0.40 C=CCN(CC)CCOC 9bfdb20e4b0bd748f32ad0c4490afe01 [0,2,0,0,0,0|0,0,1]=3 840 B9R0.40 CCC(CC#N)NCCO 6ac34e09238fb981a585e0f2e33625d0 [0,2,0,0,0,0|1,0,1]=4 841 B9R0.40 CCC(COC)NCCF 4ca37285532a28adf751cb914f415afd [0,2,0,0,0,0|2,0,0]=4 842 B9R0.40 CCC(COC)NCCO a813bb77b87e07b2653a766fea706fde [0,2,0,0,0,0|1,0,0]=3 843 B9R0.40 CCC(COC)NCCS c64ae07bee13c43ecc733862b32a0925 [0,2,0,0,0,0|1,1,0]=4 844 B9R0.40 CCC(COC)NCOC 9520ecf65a252d545edfc22e96c6d391 [0,2,0,0,0,0|2,0,0]=4 845 B9R0.40 CCC(COC)OCCF d2b6cc1c504406cbf2a16027ad6ea9ac [0,2,0,0,0,0|2,0,0]=4 846 B9R0.40 CCC(COC)OCCS f704f6fbb8778c4184d2f2e16b216f2f [0,2,0,0,0,0|1,1,0]=4 847 B9R0.40 CCC(COC)OCOC c5096aef2fcf4fb5be1963ffe734e105 [0,2,0,0,0,0|2,0,0]=4 848 B9R0.40 CCC(CSC)OCCF 9165f9455526abddf544f8c30d2650f8 [0,2,0,0,0,0|2,0,0]=4 849 B9R0.40 CCC(CSC)OCCS 2635f7f83368bfef185ac3cbae0fa52f [0,2,0,0,0,0|1,1,0]=4 850 B9R0.40 CCC(CSC)OCOC 0de1eee1ebafbc7db333edf6606589bc [0,2,0,0,0,0|2,0,0]=4 851 B9R0.40 CCCC(CC)COCC 0aa20e7bc483c4759592262d2d2171e2 [0,2,0,0,0,0|2,0,0]=4 852 B9R0.40 CCCC(CC)COCF 2bcff68a716d0105b919208253aa7c54 [0,2,0,0,0,0|2,0,0]=4 853 B9R0.40 CCCC(CC)NCCBr 1750a63546cd64598b6f347c12ce73ac [0,2,0,0,0,0|2,0,0]=4 854 B9R0.40 CCCC(CC)NCCF bb4578fa6c5522a096038bfe75a7674b [0,2,0,0,0,0|2,0,0]=4 855 B9R0.40 CCCC(CC)NCCI 471b5fe6290747c17393014007a606d3 [0,2,0,0,0,0|2,0,0]=4 856 B9R0.40 CCCC(CC)NCCO 3f48a5a5f0b34047f11d245a806782e0 [0,2,0,0,0,0|1,0,0]=3 857 B9R0.40 CCCC(CC)NCCS 1a2488774e8d00576911d76c403f4d15 [0,2,0,0,0,0|1,1,0]=4 858 B9R0.40 CCCC(CC)OCCF 629bfb37b8d6b1462408359d47565b85 [0,2,0,0,0,0|2,0,0]=4 859 B9R0.40 CCCC(CC)OCCS 4179477ce8a354404f47731385b998fe [0,2,0,0,0,0|1,1,0]=4 860 B9R0.40 CCCC(CC)OCOC e50b7c1401bf3b19627875c2bd49fca6 [0,2,0,0,0,0|2,0,0]=4 861 B9R0.40 CCCC(CC)OCSC 428385daf8608dda09eb0eda591ab582 [0,2,0,0,0,0|2,0,0]=4 862 B9R0.40 CCCC(CO)NCCO f713c50ab8748d3a53933197c7bc4506 [0,2,0,0,0,0|2,0,0]=4 863 B9R0.40 CCCCC(CC)OCC f8505015964e9c49dca586a5dee77bc8 [0,2,0,0,0,0|2,0,0]=4 864 B9R0.40 CCCCN(C=O)CCO 17787dd5e4fe64ab300ff2422659355e [0,2,0,0,0,0|1,0,1]=4 865 B9R0.40 CCCCN(CC)CC#N b13a7abb63c0154a58d92dfa92b4124d [0,2,0,0,0,0|1,0,1]=4 866 B9R0.40 CCCCN(CC)CC=O d871d9f188cada87ccdeb3afe3a7e109 [0,2,0,0,0,0|0,0,2]=4 867 B9R0.40 CCCCN(CC)CCC bbfe6bddeb2b2437e55039b1b4ca5bd6 [0,2,0,0,0,0|1,0,0]=3 868 B9R0.40 CCCCN(CC)CCCl bf7d9fac866bca6bf7e09e4f62d1a004 [0,2,0,0,0,0|1,0,0]=3 869 B9R0.40 CCCCN(CC)CCF 17c2c574722937339478c00d30199052 [0,2,0,0,0,0|1,0,0]=3 870 B9R0.40 CCCCN(CC)CCO b77ed274cc7cb6a7deb030e4df630fcc [0,2,0,0,0,0|0,0,0]=2 871 B9R0.40 CCCCN(CC)CCS bbd1fe2d9982191ab97b5b0112cd5274 [0,2,0,0,0,0|0,1,0]=3 872 B9R0.40 CCCCN(CC)COC f7250b9cd7d36cb9a0263de37f7e6d98 [0,2,0,0,0,0|1,0,0]=3 873 B9R0.40 CCCCN(CC)CSC b6de6cd883e22156f132025ae2d0bb42 [0,2,0,0,0,0|1,0,0]=3 874 B9R0.40 CCCCN(CF)CCC 373849784d2a1e93b8c0aa1574ed407e [0,2,0,0,0,0|2,0,0]=4 875 B9R0.40 CCCCN(CF)CCO 6f6071fe43f98b42f41344513471b775 [0,2,0,0,0,0|1,0,0]=3 876 B9R0.40 CCCCN(CF)CCS 8dee5dfc455b9b34bc55cc9c345f7af0 [0,2,0,0,0,0|1,1,0]=4 877 B9R0.40 CCCCN(CO)CCC 003e52c5d2209aff5d18d1236a951483 [0,2,0,0,0,0|2,0,0]=4 878 B9R0.40 CCCCN(CO)CCO ce9976606eaf7e4049d53d85781956a4 [0,2,0,0,0,0|1,0,0]=3 879 B9R0.40 CCCCN(CO)CCS 57ee94239996cd8000fc78bd91fef195 [0,2,0,0,0,0|1,1,0]=4 880 B9R0.40 CCCN(C=O)CCCO 85b67d56bdd81bcfbc08ec2560cc228c [0,2,0,0,0,0|1,0,1]=4 881 B9R0.40 CCCN(C=O)CCOC 22ff5d504b6268548239beab445591a5 [0,2,0,0,0,0|1,0,1]=4 882 B9R0.40 CCCN(CC)C/C=C/Cl 5329229f561f110b4a91f6167540f226 [0,2,0,0,0,0|1,0,1]=4 883 B9R0.40 CCCN(CC)C/C=C\Cl cea7398b53d7302d91d8af61c7a2efcb [0,2,0,0,0,0|1,0,1]=4 884 B9R0.40 CCCN(CC)C/C=C\O 5a772783e02322259c79bcc18f08d919 [0,2,0,0,0,0|0,0,1]=3 885 B9R0.40 CCCN(CC)CCC#N aa5fe6ce3770e0cee7a18ff3062f7ba9 [0,2,0,0,0,0|1,0,0]=3 886 B9R0.40 CCCN(CC)CCC=O 816556e3aed6bee14e9f9f8f47f1baa0 [0,2,0,0,0,0|0,0,1]=3 887 B9R0.40 CCCN(CC)CCCF 91fca069d6b954b6131965338727b182 [0,2,0,0,0,0|1,0,0]=3 888 B9R0.40 CCCN(CC)CCCO c326ed8204cffaa3b7251cea8880b2f3 [0,2,0,0,0,0|0,0,0]=2 889 B9R0.40 CCCN(CC)CCCS 6d693f3bb416142c7f8f76d129adb1aa [0,2,0,0,0,0|0,1,0]=3 890 B9R0.40 CCCN(CC)CCOC 738d97f693a4aa088edec0495de6f4c9 [0,2,0,0,0,0|0,0,0]=2 891 B9R0.40 CCCN(CC)CCSC 5e2433a5f8e3f6be24cd96faa583f82a [0,2,0,0,0,0|0,1,0]=3 892 B9R0.40 CCCN(CC)COCC 387a597847335a4467a7a4d0cac42949 [0,2,0,0,0,0|1,0,0]=3 893 B9R0.40 CCCN(CF)CCC#N d0d8baed8e8ddcea779b04824ab3bb8a [0,2,0,0,0,0|2,0,0]=4 894 B9R0.40 CCCN(CF)CCCO 92966a4260450751c90d1f6e8cc118e5 [0,2,0,0,0,0|1,0,0]=3 895 B9R0.40 CCCN(CF)CCOC 20786fb67a2ca43c965e9585d34d0b25 [0,2,0,0,0,0|1,0,0]=3 896 B9R0.40 CCCN(CO)CCC#N 0b51ab8d3c763a21e4eec4272617aff8 [0,2,0,0,0,0|2,0,0]=4 897 B9R0.40 CCCN(CO)CCCO 5f103803fa86b5a1f39d6ce3a2310d84 [0,2,0,0,0,0|1,0,0]=3 898 B9R0.40 CCCN(CO)CCOC 1c7c1f3a7702bf313f65e9ac1bd65caa [0,2,0,0,0,0|1,0,0]=3 899 B9R0.40 CCCNC(CC)CCC 0ce2a51fd039fcaf9a76eb2b4964f8f6 [0,2,0,0,0,0|2,0,0]=4 900 B9R0.40 CCCNC(CC)COC e4d1daa05374e355358d2cd25aa439ac [0,2,0,0,0,0|2,0,0]=4 901 B9R0.40 CCCNC(CO)CCO e48b8087112d0dbde807c3e80de577b5 [0,2,0,0,0,0|2,0,0]=4 902 B9R0.40 CCCN[C@@H](CO)CCO d25c41960081028e6638790befa80bdf [0,2,0,0,0,0|2,0,0]=4 903 B9R0.40 CCCOC(CC)CCC 8238dc4250141f806af223944c1e9f3d [0,2,0,0,0,0|2,0,0]=4 904 B9R0.40 CCCOC(CC)COC f1d33567396d0587ae337e3b1833bae8 [0,2,0,0,0,0|2,0,0]=4 905 B9R0.40 CCCOC(CC)CSC 9b79ca4ee9e110a735e9b2fbce649c70 [0,2,0,0,0,0|2,0,0]=4 906 B9R0.40 CCCO[C@@H](CO)CCO 271971862229ec111c96b74c13aa73b9 [0,2,0,0,0,0|2,0,0]=4 907 B9R0.40 CCCO[C@H](CC)CCC 769c614be648c7265a5a510d19215798 [0,2,0,0,0,0|2,0,0]=4 908 B9R0.40 CCC[C@@H](CC)OCCF b2c9fc3bbd78ee19f1c42571a0e99176 [0,2,0,0,0,0|2,0,0]=4 909 B9R0.40 CCC[C@@H](CC)OCCS 8d61a99f62b98cf704a6f3f58d1b4646 [0,2,0,0,0,0|1,1,0]=4 910 B9R0.40 CCC[C@@H](CC)OCOC 2839d8bb2c63c040a8c7ac5c350454ed [0,2,0,0,0,0|2,0,0]=4 911 B9R0.40 CCC[C@@H](CC)OCSC 0a284b8b0ac04b276c55c85a0c002680 [0,2,0,0,0,0|2,0,0]=4 912 B9R0.40 CCC[C@@H](CO)NCCO dc6d34f2bc25ed0c6f3a3255855911d9 [0,2,0,0,0,0|2,0,0]=4 913 B9R0.40 CCC[C@H](CO)NCCO e5ab79830ce415a63432936150525b1d [0,2,0,0,0,0|2,0,0]=4 914 B9R0.40 CCN(C/C=C/Cl)CCCl e9dc00c8d18ee5dcb243eb16b83730da [0,2,0,0,0,0|1,0,1]=4 915 B9R0.40 CCN(C/C=C/Cl)CCO 9c07a3398417ded50aecb73c3e600e3c [0,2,0,0,0,0|0,0,1]=3 916 B9R0.40 CCN(C/C=C\Cl)CCCl 26434474036a256d8ad6af92a547369e [0,2,0,0,0,0|1,0,1]=4 917 B9R0.40 CCN(C/C=C\Cl)CCO b98a4e1d0cbf02c2d4a3192256cb0371 [0,2,0,0,0,0|0,0,1]=3 918 B9R0.40 CCN(C/C=C\O)CCCl 9d1d2e961f52fdd080674c1a49396689 [0,2,0,0,0,0|0,0,1]=3 919 B9R0.40 CCN(C/C=C\O)CCO 1782bf4192eb5906f1db3347588056ac [0,2,0,0,0,0|0,0,1]=3 920 B9R0.40 CCN(CC#N)C/C=C\O 51ab15dad0eaad6f38e5f2e9bd525b35 [0,2,0,0,0,0|0,0,2]=4 921 B9R0.40 CCN(CC#N)CCC#N 506a8a1865eeb66b3716f918ae0e9b5f [0,2,0,0,0,0|1,0,1]=4 922 B9R0.40 CCN(CC#N)CCC=O 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B9R0.40 OCCCN(CF)CCO 7adebf230edcb367c5105925d55c15d6 [0,2,0,0,0,0|1,0,0]=3 984 B9R0.40 OCCCN(CO)CCO fdc6f953a7286b91c01e2bb1429a926d [0,2,0,0,0,0|1,0,0]=3 985 B9R0.40 OCCN(CO)C/C=C/Cl cd4fcb2c7cc01a98d88ef5ed584854ae [0,2,0,0,0,0|1,0,1]=4 986 B9R0.40 OCCN(CO)C/C=C\Cl 789219b2e2cc3a0157801078ad6a62b1 [0,2,0,0,0,0|1,0,1]=4 987 B9R0.40 OCCN(CO)CCCF c4461b1bc54f1d818d0f1555c4d8d803 [0,2,0,0,0,0|1,0,0]=3 988 B9R0.40 OCCN(CO)CCCS 8f7d2b741bc7f4f2eb6aaa3a1e9bb902 [0,2,0,0,0,0|1,0,0]=3 989 B9R0.40 OCCNC(CO)CCO f2c0b9bad0d4dd7572304be0a5a221f1 [0,2,0,0,0,0|2,0,0]=4 990 B9R0.40 OCCN[C@@H](CO)CCO 74f4001f6fdf8f2a1aff2c579a481097 [0,2,0,0,0,0|2,0,0]=4 991 B9R0.40 OCC[C@H](CO)NCCBr 87fa3729c7d2a5c7e502526125c7e624 [0,2,0,0,0,0|2,0,0]=4 992 B9R0.40 OCC[C@H](CO)NCCF 4210471efacf758359fa89ba2057d6e3 [0,2,0,0,0,0|2,0,0]=4 993 B9R0.40 OCC[C@H](CO)NCCI c4184376a7b16e9927e57e120a8bef2b [0,2,0,0,0,0|2,0,0]=4 994 B9R0.40 OCC[C@H](CO)NCCS 6164639ca45dbf612b3fd007163b0bb2 [0,2,0,0,0,0|2,0,0]=4 995 B9R0.40 OCC[C@H](CO)OCCF 67b05951fb0a69c4b0000fee2b131cbe [0,2,0,0,0,0|2,0,0]=4 996 B9R0.40 OCC[C@H](CO)OCCS 6b95ff05dc549b339fbdcb24c2a5ac14 [0,2,0,0,0,0|2,0,0]=4 997 B9R0.43 CCC(CC)CNC(C)C 3d2cdbc03ea024dbfdaea301720c1643 [0,2,0,0,0,0|2,0,0]=4 998 B9R0.43 CCC(CC)COC(C)C 14df0d62f727b9843bc1542383d34ca9 [0,2,0,0,0,0|2,0,0]=4 999 B9R0.43 CCC(CC)NCC(=O)O 995cd6a8146da731115d097551736d02 [0,2,0,0,0,0|1,0,1]=4 1000 B9R0.43 CCC(CC)NCC(C)C 104733f5e21fe6c6b3d69c62534cda47 [0,2,0,0,0,0|2,0,0]=4 1001 B9R0.43 CCC(CC)NCC(C)O f9f0c06ca7a62b72dc4a55ab775fcb97 [0,2,0,0,0,0|1,0,0]=3 1002 B9R0.43 CCC(CC)NCC(F)F 6810b8df00e72d0a90ed4cae1e1f986a [0,2,0,0,0,0|2,0,0]=4 1003 B9R0.43 CCC(CC)NC[C@@H](C)O 55549f8ca6d20d7a47b29e7f82011407 [0,2,0,0,0,0|1,0,0]=3 1004 B9R0.43 CCC(CC)NC[C@H](C)O 2c89179e78c12eb2909d49b1d61779fb [0,2,0,0,0,0|1,0,0]=3 1005 B9R0.43 CCC(CC)OCC(=O)O 1b3befb0c3d9e3800b8f83ed1ff32f58 [0,2,0,0,0,0|1,0,1]=4 1006 B9R0.43 CCC(CC)OCC(C)C c6286365fa8ec1c18e44b9fed554696d [0,2,0,0,0,0|2,0,0]=4 1007 B9R0.43 CCC(CC)OCC(C)F 3ea9e17698280c3f6de3990b0b72f8df [0,2,0,0,0,0|2,0,0]=4 1008 B9R0.43 CCC(CC)OCC(C)S a0860824f0e5d9b56596feeb735e1c4b [0,2,0,0,0,0|1,1,0]=4 1009 B9R0.43 CCC(CC)OCC(F)F 1aad05b0517fda35f5502842488e446c [0,2,0,0,0,0|2,0,0]=4 1010 B9R0.43 CCC(CC)OCS(=O)O 9088dc5b9dfa1c1f32aa7ffed72cecc6 [0,2,0,0,0,0|2,0,0]=4 1011 B9R0.43 CCC(CC)OC[C@@H](C)F ca357c2c86c2eabad5c3dc1d0dea305c [0,2,0,0,0,0|2,0,0]=4 1012 B9R0.43 CCC(CC)OC[C@H](C)F 3d435c6aa304f10ffa602ab1322665b5 [0,2,0,0,0,0|2,0,0]=4 1013 B9R0.43 CCC(CO)NCC(C)O 151f43a9b2968630ec35915eaaedfd6b [0,2,0,0,0,0|2,0,0]=4 1014 B9R0.43 CCC(CO)NC[C@@H](C)O 1bf2df805fb2cbdd0ff55aaefab426ac [0,2,0,0,0,0|2,0,0]=4 1015 B9R0.43 CCC(CO)NC[C@H](C)O 7e045774875688fd6e37f4362d35f031 [0,2,0,0,0,0|2,0,0]=4 1016 B9R0.43 CCN(CC)CCC(=O)N a8bdb500d800dfb76989944bf928047c [0,2,0,0,0,0|0,0,1]=3 1017 B9R0.43 CCN(CC)CCN(C)C 1eb92413446c8717f173bffcccc10682 [0,2,0,0,0,0|1,0,0]=3 1018 B9R0.43 CCN(CC)COC(C)C be6cb5b65d44a29d421ae63a065cdbae [0,2,0,0,0,0|1,0,0]=3 1019 B9R0.43 CCN(CF)CCN(C)C e79679488d75b0708dcbf66c0bf9ad47 [0,2,0,0,0,0|2,0,0]=4 1020 B9R0.43 CCN(CO)CCC(=O)N 922f26fe6b08d865c262df93248b88c0 [0,2,0,0,0,0|1,0,1]=4 1021 B9R0.43 CCN(CO)CCN(C)C fac1fed4e6c4fd1e4b034f5f154de623 [0,2,0,0,0,0|2,0,0]=4 1022 B9R0.43 CC[C@@H](CO)NCC(C)O 5a280976c397a6cfed1f7a0a3aa55569 [0,2,0,0,0,0|2,0,0]=4 1023 B9R0.43 CC[C@@H](CO)NC[C@@H](C)O f8681883ead87702e6c8eecffbcbd330 [0,2,0,0,0,0|2,0,0]=4 1024 B9R0.43 CC[C@@H](CO)NC[C@H](C)O f3da66d9f3dd556e0416a00db9281772 [0,2,0,0,0,0|2,0,0]=4 1025 B9R0.43 CC[C@H](CO)NCC(C)O 90328898c26a5ab1cc16af67ca77ab94 [0,2,0,0,0,0|2,0,0]=4 1026 B9R0.43 CC[C@H](CO)NC[C@@H](C)O 321f58bf80797d97093abab3113dabec [0,2,0,0,0,0|2,0,0]=4 1027 B9R0.43 CC[C@H](CO)NC[C@H](C)O 23ccad1ffbaecbb6cbb77403015ddded [0,2,0,0,0,0|2,0,0]=4 1028 B9R0.50 C#CCCNC(CC)CC eab506d414f74a3e775e785881629982 [0,2,0,0,0,0|2,0,0]=4 1029 B9R0.50 C#CCCOC(CC)CC 2484a0af25bae85a0e5517d765737541 [0,2,0,0,0,0|2,0,0]=4 1030 B9R0.50 C#CCNCC(CC)CC d0b2d892f096e2ac8bab91579b9d641c [0,2,0,0,0,0|2,0,0]=4 1031 B9R0.50 C#CCOCC(CC)CC 5cd0be7dba452b4122761b9c3f65d29e [0,2,0,0,0,0|2,0,0]=4 1032 B9R0.50 C#CCOCN(CC)CC a6c55fb0f9f6867105a06a3fd8092e5a [0,2,0,0,0,0|1,0,0]=3 1033 B9R0.50 C=CCCNC(CC)CC 06c0104cd102cc1579a8b2ddf37724c6 [0,2,0,0,0,0|2,0,0]=4 1034 B9R0.50 C=CCCOC(CC)CC 7846276a380e5727e38384b1117dad76 [0,2,0,0,0,0|2,0,0]=4 1035 B9R0.50 C=CCNCC(CC)CC 0575799fa26f55e4077f75b9482782c5 [0,2,0,0,0,0|2,0,0]=4 1036 B9R0.50 C=CCOCC(CC)CC 758b74ff931dbc6b07e614ed0b7daad2 [0,2,0,0,0,0|2,0,0]=4 1037 B9R0.50 C=CCOCN(CC)CC 80426e133b0d204d6036cfdd1792025d [0,2,0,0,0,0|1,0,0]=3 1038 B9R0.50 CCC(CC)CCNC=O 85dadcc52ed38a46427235905021937b [0,2,0,0,0,0|1,0,1]=4 1039 B9R0.50 CCC(CC)CCNCF 1657d6af069cc9fe1985400cb4774481 [0,2,0,0,0,0|2,0,0]=4 1040 B9R0.50 CCC(CC)CCNCO 2c12f3333d7f1fc0aed7b48c96df1837 [0,2,0,0,0,0|1,0,0]=3 1041 B9R0.50 CCC(CC)CNCC#N 2bcdb1f1deeba5fefc437cc51ec95797 [0,2,0,0,0,0|2,0,0]=4 1042 B9R0.50 CCC(CC)CNCC=O becd53820415e61f43480db084e0f906 [0,2,0,0,0,0|1,0,1]=4 1043 B9R0.50 CCC(CC)CNCCBr e4137d92785eee5e92c4250fe63b74f2 [0,2,0,0,0,0|2,0,0]=4 1044 B9R0.50 CCC(CC)CNCCF b664e7307c7ce263879b89d8cf29e0b5 [0,2,0,0,0,0|2,0,0]=4 1045 B9R0.50 CCC(CC)CNCCI 452633d49eacf51b487d01bd751c1256 [0,2,0,0,0,0|2,0,0]=4 1046 B9R0.50 CCC(CC)CNCCO a963b6b9123317f752e1c196114e5464 [0,2,0,0,0,0|1,0,0]=3 1047 B9R0.50 CCC(CC)CNCCS 0e886b656b20501b96266fa1c4462243 [0,2,0,0,0,0|1,1,0]=4 1048 B9R0.50 CCC(CC)CNCOC c4e7487d4729fa576fcfe5e41a17f565 [0,2,0,0,0,0|1,0,0]=3 1049 B9R0.50 CCC(CC)CNCSC 63d58a967186c7087690d52caf705c95 [0,2,0,0,0,0|1,1,0]=4 1050 B9R0.50 CCC(CC)COCC#N 33038d64fea01228a7e0606c7384b827 [0,2,0,0,0,0|2,0,0]=4 1051 B9R0.50 CCC(CC)COCC=O a277911e57163961f14311345df54ee8 [0,2,0,0,0,0|1,0,1]=4 1052 B9R0.50 CCC(CC)COCCF 48a9c4ca82dd767d0d3cf974737e83d9 [0,2,0,0,0,0|2,0,0]=4 1053 B9R0.50 CCC(CC)COCCS 2071933d9a7a75e0ef5bd16933df774d [0,2,0,0,0,0|1,1,0]=4 1054 B9R0.50 CCC(CC)COCOC 7b1cec0052e438ced3ffa3ee09002442 [0,2,0,0,0,0|1,0,0]=3 1055 B9R0.50 CCC(CC)COCSC ece20b2050451f74c9ee44784638b673 [0,2,0,0,0,0|1,1,0]=4 1056 B9R0.50 CCC(CC)NC/C=C\O 59ca2eae317aacd3e0972c6fc34f44f2 [0,2,0,0,0,0|1,0,1]=4 1057 B9R0.50 CCC(CC)NCCC#N 5ccf8833d0c14794c828aabe24f073e8 [0,2,0,0,0,0|2,0,0]=4 1058 B9R0.50 CCC(CC)NCCC=O 66bdcc5d5ebb4f950c2eddf0938a60f6 [0,2,0,0,0,0|1,0,1]=4 1059 B9R0.50 CCC(CC)NCCCCl 5d6546f257dea8512eb2dbbe5587c609 [0,2,0,0,0,0|2,0,0]=4 1060 B9R0.50 CCC(CC)NCCCF 121f6516979ddab13c6f2bab77aee760 [0,2,0,0,0,0|2,0,0]=4 1061 B9R0.50 CCC(CC)NCCCO 7a878469a24193b99d971a99763489b5 [0,2,0,0,0,0|1,0,0]=3 1062 B9R0.50 CCC(CC)NCCCS c87530069711742f4413acd2da70543c [0,2,0,0,0,0|1,1,0]=4 1063 B9R0.50 CCC(CC)NCCOC 64aa6ffbcb1679ac64940aa184912ce6 [0,2,0,0,0,0|1,0,0]=3 1064 B9R0.50 CCC(CC)NCCON dfd9e10909a0ad5c3f71622dc301820e [0,2,0,0,0,0|1,0,0]=3 1065 B9R0.50 CCC(CC)NCCSC 9c3b9a205a707055948941d26ff5d871 [0,2,0,0,0,0|1,1,0]=4 1066 B9R0.50 CCC(CC)OCCC#N d2ce523f8fe8e924d0bb85e046502f20 [0,2,0,0,0,0|2,0,0]=4 1067 B9R0.50 CCC(CC)OCCC=O 042de33a391f6e76c931b17bee76285c [0,2,0,0,0,0|1,0,1]=4 1068 B9R0.50 CCC(CC)OCCCF 2b7a3cb593b94c9f32a45c924aea5260 [0,2,0,0,0,0|2,0,0]=4 1069 B9R0.50 CCC(CC)OCCCS ae1812c19aa8b8e19b39adfe778bcc79 [0,2,0,0,0,0|1,1,0]=4 1070 B9R0.50 CCC(CC)OCCOC f04c5f2353d512fa7331f9f3afec8022 [0,2,0,0,0,0|1,0,0]=3 1071 B9R0.50 CCC(CC)OCCSC 6bcd9330fc4c80bf6e728779015387e0 [0,2,0,0,0,0|1,1,0]=4 1072 B9R0.50 CCC(CO)CNCCO 2d1ea68deb61f7eec4d56f79e9b6fe92 [0,2,0,0,0,0|2,0,0]=4 1073 B9R0.50 CCC(CO)CNCOC 4522d580653a4317fc92b56e265b0b3e [0,2,0,0,0,0|2,0,0]=4 1074 B9R0.50 CCC(CO)NCCCO 019242eda7d629d45e9d58eb92023bf1 [0,2,0,0,0,0|2,0,0]=4 1075 B9R0.50 CCC(CO)NCCOC 004661ec9fb4164da5b0239da9c4a8c8 [0,2,0,0,0,0|2,0,0]=4 1076 B9R0.50 CCC(CO)NCCON f7177defebe4809723993dd6da2bc3bb [0,2,0,0,0,0|2,0,0]=4 1077 B9R0.50 CCC(COCOC)OC 3e61e4b3ed3822cf023f26d2a95b66ad [0,2,0,0,0,0|2,0,0]=4 1078 B9R0.50 CCCCNC(CC)CC dd7ab6ef1d0bd56b92e1f05c2fdb5728 [0,2,0,0,0,0|2,0,0]=4 1079 B9R0.50 CCCCOC(CC)CC 60099ff5d325cd5ab18720ef79b9cde2 [0,2,0,0,0,0|2,0,0]=4 1080 B9R0.50 CCCNCC(CC)CC 02c417e31ef36d5287ee79129ae0d7dd [0,2,0,0,0,0|2,0,0]=4 1081 B9R0.50 CCCOCC(CC)CC 67ff0241d66372bbbaaf95685c7ebbc2 [0,2,0,0,0,0|2,0,0]=4 1082 B9R0.50 CCCOCN(CC)CC 6490d58f066613ee0bdf9c7195bb053c [0,2,0,0,0,0|1,0,0]=3 1083 B9R0.50 CCN(C=O)CCCCO 896c8ac6f073a59bbf85b1278bba30de [0,2,0,0,0,0|1,0,1]=4 1084 B9R0.50 CCN(C=O)CCCOC b7b16cfedbda674de10c94d6ca2bd75f [0,2,0,0,0,0|1,0,1]=4 1085 B9R0.50 CCN(CC)CCCCO 1019632568aea287f47829ce026c8846 [0,2,0,0,0,0|0,0,0]=2 1086 B9R0.50 CCN(CC)CCCOC 0d78d1bdcf543a82bd9e788284655b12 [0,2,0,0,0,0|0,0,0]=2 1087 B9R0.50 CCN(CC)CCNC=O f590035fe73226c5d3c98fcac7de9d10 [0,2,0,0,0,0|0,0,1]=3 1088 B9R0.50 CCN(CC)CCNCF c56b5f41226d736c74ce83088852497f [0,2,0,0,0,0|1,0,0]=3 1089 B9R0.50 CCN(CC)CCNCO e86342af0a98576fccabecb7e3165c53 [0,2,0,0,0,0|0,0,0]=2 1090 B9R0.50 CCN(CC)CCOCF eaefc1d608cc907781afd304ab03b1dc [0,2,0,0,0,0|0,0,0]=2 1091 B9R0.50 CCN(CC)COCC#N ad0caeac4fcf53ddce61b2ef2f4ed764 [0,2,0,0,0,0|1,0,0]=3 1092 B9R0.50 CCN(CC)COCC=O 97c9ad83c848bf92c770d80e602dd42d [0,2,0,0,0,0|0,0,1]=3 1093 B9R0.50 CCN(CC)COCCF 88a173d74450243c60f3d4e28590039a [0,2,0,0,0,0|1,0,0]=3 1094 B9R0.50 CCN(CC)COCCS 4db19a6948660e8c49f8c2ba97788eaf [0,2,0,0,0,0|0,1,0]=3 1095 B9R0.50 CCN(CC)COCOC 0856395120bfd0ad755929559285754a [0,2,0,0,0,0|0,0,0]=2 1096 B9R0.50 CCN(CC)COCSC 9f6404ca4b69bbbe8b7112efef397b73 [0,2,0,0,0,0|0,1,0]=3 1097 B9R0.50 CCN(CF)CCCCO b5b1b93da29d2323544e41e593997dae [0,2,0,0,0,0|1,0,0]=3 1098 B9R0.50 CCN(CF)CCCOC 194a9e3077f551b13ee2ef7e6f5a4661 [0,2,0,0,0,0|1,0,0]=3 1099 B9R0.50 CCN(CO)CCCCO 86f4573bd445e6e306e9fed7cd3e0e8a [0,2,0,0,0,0|1,0,0]=3 1100 B9R0.50 CCN(CO)CCCOC 7fabfd325e6916107642472269dc59e1 [0,2,0,0,0,0|1,0,0]=3 1101 B9R0.50 CCNCCC(CC)CC 24ec1544080241f6c3a70d90e97a2c1e [0,2,0,0,0,0|2,0,0]=4 1102 B9R0.50 CCNCCN(CC)CC 949e43f048f976c91ba2a949fc05a246 [0,2,0,0,0,0|1,0,0]=3 1103 B9R0.50 CCOCCN(C=O)CC eb3480f5c05b7016e9622312387acbc9 [0,2,0,0,0,0|1,0,1]=4 1104 B9R0.50 CCOCCN(CC)CC b65f003ae9e7eefdfd250425bab3fa9d [0,2,0,0,0,0|0,0,0]=2 1105 B9R0.50 CCOCCN(CC)CF 1324067bc8afb772ba1dcf31d6267d97 [0,2,0,0,0,0|1,0,0]=3 1106 B9R0.50 CCOCCN(CC)CO 0f02e9ab8e3a737fffbf02ce829b7114 [0,2,0,0,0,0|1,0,0]=3 1107 B9R0.50 CCOCNC(CC)CC 35615de17a1f02c07671f61e38b63c85 [0,2,0,0,0,0|2,0,0]=4 1108 B9R0.50 CCOCOC(CC)CC 3a4c111729fe46e303761a521b754297 [0,2,0,0,0,0|2,0,0]=4 1109 B9R0.50 CC[C@@H](CO)NCCCO aa9c8664da5f851275cd3a65335aecc2 [0,2,0,0,0,0|2,0,0]=4 1110 B9R0.50 CC[C@@H](CO)NCCOC 53370cf41df237e17c3463a7d9e51bf1 [0,2,0,0,0,0|2,0,0]=4 1111 B9R0.50 CC[C@H](CO)NCCCO 2e8a24e47b172b792354f1c15922a3e5 [0,2,0,0,0,0|2,0,0]=4 1112 B9R0.50 CC[C@H](CO)NCCOC 5f68dc08c9e12b70e18630e6b741d78b [0,2,0,0,0,0|2,0,0]=4 1113 B9R0.67 CCC(C)(CC)NCCF d7034f75ad042cf237fd651703b3cf44 [0,2,0,0,0,0|2,0,0]=4 1114 B9R0.67 CCC(C)(CC)NCCO 4ec094608d8725650304c1f8379b2582 [0,2,0,0,0,0|1,0,0]=3 1115 B9R0.67 CCC(C)(CC)NCCS 78b9a83819943a6f5a3abfd37ea85ebe [0,2,0,0,0,0|1,1,0]=4 1116 B9R0.67 CCC(C)(CC)NCOC 196759028d7f1e973a41d94ebaa8f81a [0,2,0,0,0,0|2,0,0]=4 1117 B9R0.67 CCC(C)(CO)NCCO e046ebe3daede5060bbdd52bf0ac1ecc [0,2,0,0,0,0|2,0,0]=4 1118 B9R0.67 CCC(O)(CC)CNCF 4716e01099052c14fbf447f815282f73 [0,2,0,0,0,0|2,0,0]=4 1119 B9R0.67 CCC(O)(CC)CNCO 26fa1c4a6b96a04209b6e3b01b40c7f5 [0,2,0,0,0,0|1,0,0]=3 1120 B9R0.67 CCCNC(C)(CC)CC 1fd8514c8ca6d276788a0720bc158c04 [0,2,0,0,0,0|2,0,0]=4 1121 B9R0.67 CCNCC(O)(CC)CC 51a256e5929fd70ff099329ea75107ac [0,2,0,0,0,0|2,0,0]=4 1122 B9R0.9 C#CCN(CC)C(C)(C)C ebf76f54341b91549f932dc8d4470402 [0,2,0,0,0,0|1,0,1]=4 1123 B9R0.9 C=CCN(CC)C(C)(C)C 65df9dca284aefb5d54b3e2a89e41649 [0,2,0,0,0,0|1,0,1]=4 1124 B9R0.9 CC(C)(C)N(C#N)CCO 37b531c5e6358390008637fcd7e3c572 [0,2,0,0,0,0|1,0,1]=4 1125 B9R0.9 CC(C)(C)N(C=O)CCO ffcf580a148b2249e1b6cc220b2f5af2 [0,2,0,0,0,0|1,0,1]=4 1126 B9R0.9 CC(C)(C)N(CF)CCO 12c9d9218d8d629edee594ea1a033947 [0,2,0,0,0,0|1,0,0]=3 1127 B9R0.9 CC(C)(C)N(CO)CCCl f68c3f9d5e805cdd5e6a6442755ee048 [0,2,0,0,0,0|2,0,0]=4 1128 B9R0.9 CC(C)(C)N(CO)CCO a4eb56b06a8a02127c0a3797d2c8a169 [0,2,0,0,0,0|1,0,0]=3 1129 B9R0.9 CCCN(CC)C(C)(C)C ef8ae85d4e02766aa03333e31999a22c [0,2,0,0,0,0|1,0,0]=3 1130 B9R0.9 CCN(CC#N)C(C)(C)C c0131ea9ded1630783e91c483ff6a485 [0,2,0,0,0,0|1,0,1]=4 1131 B9R0.9 CCN(CC=O)C(C)(C)C 8e3235a34eb8b9e21a06957ff9631b7c [0,2,0,0,0,0|0,0,2]=4 1132 B9R0.9 CCN(CCCl)C(C)(C)C a646d06dbe2679a8f56ca31c5c4743b0 [0,2,0,0,0,0|1,0,0]=3 1133 B9R0.9 CCN(CCF)C(C)(C)C c37f940a342646ac22172b7431b34dbf [0,2,0,0,0,0|1,0,0]=3 1134 B9R0.9 CCN(CCO)C(C)(C)C 028903853478681b795cb28efaae9a8c [0,2,0,0,0,0|0,0,0]=2 1135 B9R0.9 CCN(CCS)C(C)(C)C f604c0e88eb27eac4a1876e4828165db [0,2,0,0,0,0|0,1,0]=3 1136 B9R0.9 CCN(COC)C(C)(C)C 4ad525ebe6acddf2961eb8a9ecc69952 [0,2,0,0,0,0|2,0,0]=4 1137 B9R0.9 CCN(CSC)C(C)(C)C 4d4ca5f45951fd53c5a1cdf66a341b58 [0,2,0,0,0,0|2,0,0]=4 1138 B9R0.9 CC[C@@H](NCO)C(C)(C)O 11d759c5dea7a0277a9e26e0e23501ba [0,2,0,0,0,0|2,0,0]=4 1139 B9R0.9 CC[C@H](NCO)C(C)(C)O 7c3a3ba00083a127207b8a545773267b [0,2,0,0,0,0|2,0,0]=4 1140 B9R0.12 C#CC(=O)N(CC)CCO 4b4809cc60e9c04fa7e105c5e2be5879 [0,2,0,0,0,0|0,0,2]=4 1141 B9R0.12 C#CC(C)N(CC)CC#N f2ab786b2ed972d6874f7a3253c36693 [0,2,0,0,0,0|1,0,1]=4 1142 B9R0.12 C#CC(C)N(CC)CCC 734f1c66886ef0719f8b1cb8ce2856ca [0,2,0,0,0,0|1,0,0]=3 1143 B9R0.12 C#CC(C)N(CC)CCCl 596c55dd6cc2452904ed4940dc402182 [0,2,0,0,0,0|1,0,0]=3 1144 B9R0.12 C#CC(C)N(CC)CCO 6eae609bcb29959bf91682f5bc72bc22 [0,2,0,0,0,0|0,0,0]=2 1145 B9R0.12 C#CC(C)N(CO)CCO dc0c01817abacbff07388ad3311f693a [0,2,0,0,0,0|1,0,0]=3 1146 B9R0.12 C#CCN(CC)C(C)CO 02e5d1c919e2a87dc705d15ebb862ede [0,2,0,0,0,0|0,0,1]=3 1147 B9R0.12 C=CC(=O)N(CC)CCO 822104f73c55f228e998db92515d25d0 [0,2,0,0,0,0|0,0,2]=4 1148 B9R0.12 C=CC(C)N(CC)CC#N afa645bc62ace004d18868559e1f9dd4 [0,2,0,0,0,0|1,0,1]=4 1149 B9R0.12 C=CC(C)N(CC)CCC 9b41982d4788a11b3bd5b581a905dbd2 [0,2,0,0,0,0|1,0,0]=3 1150 B9R0.12 C=CC(C)N(CC)CCCl bef28840453bdb69dada1f93d113b5b3 [0,2,0,0,0,0|1,0,0]=3 1151 B9R0.12 C=CC(C)N(CC)CCO a97bb84bf6e24e499f8601bbad959e40 [0,2,0,0,0,0|0,0,0]=2 1152 B9R0.12 C=CC(C)N(CO)CCO 9690776b8945355a8f0cc9a487eeaa36 [0,2,0,0,0,0|1,0,0]=3 1153 B9R0.12 C=CCN(CC)C(C)CO d5bdbb43c29382b9b95acde32c7529bd [0,2,0,0,0,0|0,0,1]=3 1154 B9R0.12 CC(C#N)N(CO)CCO b4d4e99a41483f362af783e1e958d8e0 [0,2,0,0,0,0|1,0,0]=3 1155 B9R0.12 CC(C=O)N(CO)CCO ae1b5b6e443baf8482d66713c37497c4 [0,2,0,0,0,0|1,0,0]=3 1156 B9R0.12 CC(CO)N(CO)CCO 7fd516ad3683021e2a3f2c3f83e028f8 [0,2,0,0,0,0|1,0,0]=3 1157 B9R0.12 CCC(=O)N(CC)CC#N a80c09a9904b70e115b0c32a607d1635 [0,2,0,0,0,0|1,0,1]=4 1158 B9R0.12 CCC(=O)N(CC)CCCl 5abad85758db26153afc55d5fcc1b3c1 [0,2,0,0,0,0|1,0,0]=3 1159 B9R0.12 CCC(=O)N(CC)CCO a49d55b4de1d5751c610236dcc0af865 [0,2,0,0,0,0|0,0,0]=2 1160 B9R0.12 CCC(=O)N(CO)CCO caf783de34c83f199f5330447dc56fc1 [0,2,0,0,0,0|1,0,0]=3 1161 B9R0.12 CCC(C)N(CC)CC#N 08cb06578831228a0283422766b6f51d [0,2,0,0,0,0|1,0,1]=4 1162 B9R0.12 CCC(C)N(CC)CCCl fb4d7634f0699466ed7da866710430d1 [0,2,0,0,0,0|1,0,0]=3 1163 B9R0.12 CCC(C)N(CC)CCO 8abca54d475e6d78ec67de630f7ad767 [0,2,0,0,0,0|0,0,0]=2 1164 B9R0.12 CCC(C)N(CO)CCO d56c332eaac851df56008314cfb6f291 [0,2,0,0,0,0|1,0,0]=3 1165 B9R0.12 CCC(O)C(CC)NCO 3b473f7cfe0029bac94ec56a2b8bccce [0,2,0,0,0,0|2,0,0]=4 1166 B9R0.12 CCCC(CC)N(C)CC f1cb18a1e26f87a4fb802245c7eb4248 [0,2,0,0,0,0|2,0,0]=4 1167 B9R0.12 CCCN(C=O)C(C)CO 4caffb409e61537d2930c538522dd066 [0,2,0,0,0,0|1,0,1]=4 1168 B9R0.12 CCCN(C=O)[C@@H](C)CO ce28e2902806a29d4cf842e9136eb3c2 [0,2,0,0,0,0|1,0,1]=4 1169 B9R0.12 CCCN(CC)C(=O)CC cb71ae41710f8d3a5ad167a9d95c6ac7 [0,2,0,0,0,0|1,0,0]=3 1170 B9R0.12 CCCN(CC)C(=O)CF 3d2f2763b8a620aa56d6ebbecfb48f96 [0,2,0,0,0,0|1,0,1]=4 1171 B9R0.12 CCCN(CC)C(=O)CO 560b89c92582f9173a4199876e21858a [0,2,0,0,0,0|0,0,1]=3 1172 B9R0.12 CCCN(CC)C(=O)CS f1a6f4306ac96c5ec9491d28032a38ac [0,2,0,0,0,0|0,1,1]=4 1173 B9R0.12 CCCN(CC)C(C)C#N 2d9eec5eb200307ba3d8c1647b79fa32 [0,2,0,0,0,0|1,0,0]=3 1174 B9R0.12 CCCN(CC)C(C)C=O 8a6514457cf8a83910db4ecc29f223cb [0,2,0,0,0,0|1,0,0]=3 1175 B9R0.12 CCCN(CC)C(C)CC 2129c720dd080c8b9808af3c0c9fbd9c [0,2,0,0,0,0|1,0,0]=3 1176 B9R0.12 CCCN(CC)C(C)CO cf9b4650da758259bb232c49fee73370 [0,2,0,0,0,0|0,0,0]=2 1177 B9R0.12 CCCN(CC)[C@@H](C)CO cd767a66697e0ab77ab312f89c73def9 [0,2,0,0,0,0|0,0,0]=2 1178 B9R0.12 CCCN(CC)[C@H](C)C=O ceb9a99ce36145d5dafaf734e00c59aa [0,2,0,0,0,0|1,0,0]=3 1179 B9R0.12 CCCN(CC)[C@H](C)CO 383dd9f0ac098db3c709cf190fac7b18 [0,2,0,0,0,0|0,0,0]=2 1180 B9R0.12 CCCN(CF)C(C)CC 9b8b237dbadd6f5a84d1e57abc6309ec [0,2,0,0,0,0|2,0,0]=4 1181 B9R0.12 CCCN(CF)C(C)CO 1f03f1af23c1b8b35d345edd20d36a01 [0,2,0,0,0,0|1,0,0]=3 1182 B9R0.12 CCCN(CF)[C@@H](C)CO 461fde03d6f48b6fbaf0cde24017fb0c [0,2,0,0,0,0|1,0,0]=3 1183 B9R0.12 CCCN(CO)C(C)CC cd2d08bfc968a3a3cad10952c929bffb [0,2,0,0,0,0|2,0,0]=4 1184 B9R0.12 CCCN(CO)C(C)CO a3abadeee59de07018fb85691af1606f [0,2,0,0,0,0|1,0,0]=3 1185 B9R0.12 CCCN(CO)[C@@H](C)CO 6c2b42017e1b01b84d012b2b0981c6c8 [0,2,0,0,0,0|1,0,0]=3 1186 B9R0.12 CCN(C)[C@@H](CO)CCO db400baacb87e662facfbaf2a2707e5b [0,2,0,0,0,0|2,0,0]=4 1187 B9R0.12 CCN(CC#N)C(=O)CO ad78854883947dfa53a62699a8104950 [0,2,0,0,0,0|0,0,2]=4 1188 B9R0.12 CCN(CC#N)C(C)C#N 37b1d9e4b1db58d75be18d6bc3576bb7 [0,2,0,0,0,0|1,0,1]=4 1189 B9R0.12 CCN(CC#N)C(C)C=O 75740851cf1fb36a523fceb707a40828 [0,2,0,0,0,0|1,0,1]=4 1190 B9R0.12 CCN(CC#N)C(C)CO f9b8999c375e08f829b62d52cd57d96c [0,2,0,0,0,0|0,0,1]=3 1191 B9R0.12 CCN(CC#N)[C@@H](C)CO 07463cc4f28c029bc63e0b4be1e65e78 [0,2,0,0,0,0|0,0,1]=3 1192 B9R0.12 CCN(CC#N)[C@H](C)C=O ec1dae39dd9faf75dcfc79c7c7b95475 [0,2,0,0,0,0|1,0,1]=4 1193 B9R0.12 CCN(CC#N)[C@H](C)CO c963ce9b50ff9d793092b7b73c11514e [0,2,0,0,0,0|0,0,1]=3 1194 B9R0.12 CCN(CC=O)C(C)CO 95b4ad15f767f69bec78501f57326cc2 [0,2,0,0,0,0|0,0,1]=3 1195 B9R0.12 CCN(CCCl)C(=O)CF 9de7bcef10ac1711c9186875fd8f1a18 [0,2,0,0,0,0|1,0,1]=4 1196 B9R0.12 CCN(CCCl)C(=O)CO 23f47ce523979d586745acfe6892faf0 [0,2,0,0,0,0|0,0,1]=3 1197 B9R0.12 CCN(CCCl)C(=O)CS b9d87248d4eedfc0b2994362e4f1c95d [0,2,0,0,0,0|0,1,1]=4 1198 B9R0.12 CCN(CCCl)C(C)C#N 8963773e3389a133ad29ae3534bc2ea9 [0,2,0,0,0,0|1,0,0]=3 1199 B9R0.12 CCN(CCCl)C(C)C=O 11045da1dd87d29e03aabbe3d0e5b976 [0,2,0,0,0,0|1,0,0]=3 1200 B9R0.12 CCN(CCCl)C(C)CO 87a806cd7bf081fc38cc7eca6989e0ec [0,2,0,0,0,0|0,0,0]=2 1201 B9R0.12 CCN(CCCl)[C@@H](C)CO 23efc0f34c0943d71f5f357458d366b0 [0,2,0,0,0,0|0,0,0]=2 1202 B9R0.12 CCN(CCCl)[C@H](C)C=O 0608232367b6eaed70ca82ba94aeae1b [0,2,0,0,0,0|1,0,0]=3 1203 B9R0.12 CCN(CCCl)[C@H](C)CO 004cb8544c84bf2137837ad9c5a8b6e2 [0,2,0,0,0,0|0,0,0]=2 1204 B9R0.12 CCN(CCF)C(C)CO 262f43060cbbc46b0bb95e69469ee2ea [0,2,0,0,0,0|0,0,0]=2 1205 B9R0.12 CCN(CCO)C(=O)C=O c651a865665fe712095eeb20f7e806e3 [0,2,0,0,0,0|0,0,2]=4 1206 B9R0.12 CCN(CCO)C(=O)CF dd2baecabbfe15263351b3ae0474ed8c [0,2,0,0,0,0|0,0,1]=3 1207 B9R0.12 CCN(CCO)C(=O)CO 8b9c20fafbba720038e4305ee509853b [0,2,0,0,0,0|0,0,1]=3 1208 B9R0.12 CCN(CCO)C(=O)CS 0a2dd1b4b9778371ed031ee691bf8126 [0,2,0,0,0,0|0,0,1]=3 1209 B9R0.12 CCN(CCO)C(C)C=O 39fc978920697b528df7482c1094a2a7 [0,2,0,0,0,0|0,0,0]=2 1210 B9R0.12 CCN(CCO)C(C)CO 4df742ba755bc5052cc6a3416af986dc [0,2,0,0,0,0|0,0,0]=2 1211 B9R0.12 CCN(CCO)[C@@H](C)CO 21e4206b97e8ab4ef1b6e573b48b2cbc [0,2,0,0,0,0|0,0,0]=2 1212 B9R0.12 CCN(CCO)[C@H](C)C=O b9dd815b5c82c6cd81ddd713b22513ca [0,2,0,0,0,0|0,0,0]=2 1213 B9R0.12 CCN(CCO)[C@H](C)CO 347d1115fb51284d3f87618011045453 [0,2,0,0,0,0|0,0,0]=2 1214 B9R0.12 CCN(CCS)C(C)CO 053d1ca94840fce7d11cdde1d9dc118b [0,2,0,0,0,0|0,0,0]=2 1215 B9R0.12 CCN(COC)C(C)CO 9b22aeb083123bbf526dc7d867bf4000 [0,2,0,0,0,0|0,0,0]=2 1216 B9R0.12 CCN(CSC)C(C)CO fe8c51a01eaba4fa35539828e51555e2 [0,2,0,0,0,0|0,0,0]=2 1217 B9R0.12 CCNC(CC)C(O)CC fc4acfb190e8a28206a981d089dacc1b [0,2,0,0,0,0|2,0,0]=4 1218 B9R0.12 C[C@@H](CO)N(CO)CCO 600049c874454bd833fa6d434699ad27 [0,2,0,0,0,0|1,0,0]=3 1219 B9R0.12 C[C@H](C=O)N(CO)CCO f01d7ec6deecaa906dc65250896c7184 [0,2,0,0,0,0|1,0,0]=3 1220 B9R0.12 C[C@H](CO)N(CO)CCO 80645f1b14f95c76d6fb877e4651b4e3 [0,2,0,0,0,0|1,0,0]=3 1221 B9R0.12 O=C(CF)N(CO)CCO 9425c15afa1189cc4210e1983d0775de [0,2,0,0,0,0|1,0,1]=4 1222 B9R0.12 O=C(CO)N(CO)CCO 20743a5b2f0860813a3db243d1c93ab8 [0,2,0,0,0,0|1,0,1]=4 1223 B9R0.12 O=C(CS)N(CO)CCO c390de85c95591566b89cecb7b5d2b24 [0,2,0,0,0,0|1,0,1]=4 1224 B9R0.15 C#CCN(CCC)C(C)C 4af99bb1581769c9b7e70329e90c8a2e [0,2,0,0,0,0|1,0,1]=4 1225 B9R0.15 C#CCN(CCF)C(C)C 6adb6cc29d2cba78303ee2cb69a6a7da [0,2,0,0,0,0|1,0,1]=4 1226 B9R0.15 C#CCN(CCO)C(=O)C f7b17fb704f28424ba256cb086f43fbe [0,2,0,0,0,0|0,0,2]=4 1227 B9R0.15 C#CCN(CCO)C(C)C 875f43aa73ad6f76dc197505215c0201 [0,2,0,0,0,0|0,0,1]=3 1228 B9R0.15 C#CCN(CCS)C(C)C 31f7baea3c7322b1422f2f844d6111c0 [0,2,0,0,0,0|0,1,1]=4 1229 B9R0.15 C#CCN(COC)C(C)C a461b81d636c0ea21858b8e631850775 [0,2,0,0,0,0|1,0,1]=4 1230 B9R0.15 C#CCN(CSC)C(C)C e720416452fae00ef16812f0271cb658 [0,2,0,0,0,0|1,0,1]=4 1231 B9R0.15 C=CCN(CCC)C(C)C 43a9eef525ce4d203b39eee296ce4bd1 [0,2,0,0,0,0|1,0,1]=4 1232 B9R0.15 C=CCN(CCF)C(C)C 3faf3f038445af0dbb7fef9ad50e0261 [0,2,0,0,0,0|1,0,1]=4 1233 B9R0.15 C=CCN(CCO)C(=O)C 241d5d7ad3ab8eeb45ac315511efb58a [0,2,0,0,0,0|0,0,2]=4 1234 B9R0.15 C=CCN(CCO)C(C)C c20f8383f14d24b58ed07254244b1fa2 [0,2,0,0,0,0|0,0,1]=3 1235 B9R0.15 C=CCN(CCS)C(C)C aa7c6f80e0d246d6fb79ca1fb50bb22a [0,2,0,0,0,0|0,1,1]=4 1236 B9R0.15 C=CCN(COC)C(C)C 896ea0852f017ac90a540e5f44481b9d [0,2,0,0,0,0|1,0,1]=4 1237 B9R0.15 C=CCN(CSC)C(C)C 684f5291e1f06f498692220fa6a59150 [0,2,0,0,0,0|1,0,1]=4 1238 B9R0.15 CC(=O)N(CCCl)CCCl bd7a6bdbd18dfdb1a9e6116c4a0991e8 [0,2,0,0,0,0|1,0,1]=4 1239 B9R0.15 CC(=O)N(CCO)CCO 5d82a3ae66d4a0be95eadb4bfa66e3b6 [0,2,0,0,0,0|0,0,1]=3 1240 B9R0.15 CC(C)C(CCO)NCF 8007955dd593feedb5dd0bba8a4499da [0,2,0,0,0,0|2,0,0]=4 1241 B9R0.15 CC(C)C(CCO)NCO f9b4cdb94363896cc76d2836ed098ae2 [0,2,0,0,0,0|2,0,0]=4 1242 B9R0.15 CC(C)N(CC#N)CCO bd90d8acfb6a58414aa5dafeddb9120b [0,2,0,0,0,0|0,0,1]=3 1243 B9R0.15 CC(C)N(CC=O)CCO 487cc2e552871228fad9bc9a9dcb36c3 [0,2,0,0,0,0|0,0,1]=3 1244 B9R0.15 CC(C)N(CCCl)CCCl a06dc326db01325d1106f51a6c9e469f [0,2,0,0,0,0|1,0,0]=3 1245 B9R0.15 CC(C)N(CCO)CCF f7bd348c20a5625291411b972116502f [0,2,0,0,0,0|0,0,0]=2 1246 B9R0.15 CC(C)N(CCO)CCO eb6ee5bbcd6bb4304df47fccf2104b9a [0,2,0,0,0,0|0,0,0]=2 1247 B9R0.15 CC(C)N(CCO)CCS a7f938bd444d84d9d97d828fe16302d9 [0,2,0,0,0,0|0,0,0]=2 1248 B9R0.15 CCCC(OCC)C(C)C e92d999be069504d5fc7f6e2735d7a96 [0,2,0,0,0,0|2,0,0]=4 1249 B9R0.15 CCCN(CC#N)C(C)C 156e7d0ce95bb295aef13c7abdcbc852 [0,2,0,0,0,0|1,0,1]=4 1250 B9R0.15 CCCN(CC=O)C(C)C 35466d46e78549c3f1ea3d38e32be947 [0,2,0,0,0,0|0,0,2]=4 1251 B9R0.15 CCCN(CCC)C(=O)C 4894ad04f3025c39998a5aff0ae390d1 [0,2,0,0,0,0|1,0,1]=4 1252 B9R0.15 CCCN(CCC)C(C)C 8c512a0d433f1c6ed1adeb0669663d0d [0,2,0,0,0,0|1,0,0]=3 1253 B9R0.15 CCCN(CCF)C(C)C a5821a7373ec492ba75d485894a4e24c [0,2,0,0,0,0|1,0,0]=3 1254 B9R0.15 CCCN(CCO)C(=O)C 3d899f67019074a1f14df709c3376de1 [0,2,0,0,0,0|0,0,1]=3 1255 B9R0.15 CCCN(CCO)C(C)C 2e8241d53aed5f0854efb3c78e6c9288 [0,2,0,0,0,0|0,0,0]=2 1256 B9R0.15 CCCN(CCS)C(C)C 1ad32f782877d7fb405e04ff9fae20f6 [0,2,0,0,0,0|0,1,0]=3 1257 B9R0.15 CCCN(COC)C(C)C 38d69ada5cd7a76f45d20fdc342b0e05 [0,2,0,0,0,0|1,0,0]=3 1258 B9R0.15 CCCN(CSC)C(C)C 5a0070c56f8c48f5dc8c20303abc20ef [0,2,0,0,0,0|1,0,0]=3 1259 B9R0.15 CCNC(CCO)C(C)C d8e9cbf3c0409b969a09e398d2e8b9b2 [0,2,0,0,0,0|1,0,0]=3 1260 B9R0.15 COCC(NCO)C(C)C 95354dcf21961650a113e446af62ddb2 [0,2,0,0,0,0|2,0,0]=4 1261 B9R0.15 COCN(CCO)C(C)C 88e272c645dd36877054fd9d72755de5 [0,2,0,0,0,0|0,0,0]=2 1262 B9R0.15 COC[C@@H](NCO)C(C)C 7fc55012db2a31778c6373c6aef006d1 [0,2,0,0,0,0|2,0,0]=4 1263 B9R0.15 COC[C@H](NCO)C(C)C f87ede624f3bd9fb113a096fd5c8098b [0,2,0,0,0,0|2,0,0]=4 1264 B9R0.15 CSCN(CCO)C(C)C b2a76c4b3e53253bfc2d4a948e261bf2 [0,2,0,0,0,0|0,0,0]=2 1265 B9R0.29 C=CC(C)N(CC)C(C)C 8bfaefb28a19e4889709a1b1d96d4aa3 [0,2,0,0,0,0|1,0,1]=4 1266 B9R0.29 CC(C)N(C=O)C(C)CO 6f8193c88ee0c709a60ecd6bcacc1dc3 [0,2,0,0,0,0|1,0,1]=4 1267 B9R0.29 CCC(=O)N(CC)C(C)C 0ed2039b2f1d7e42a246ce98a3db647c [0,2,0,0,0,0|1,0,1]=4 1268 B9R0.29 CCC(C)N(CC)C(C)C b126ca85f5cc32666ea52a038ae9c2d5 [0,2,0,0,0,0|1,0,0]=3 1269 B9R0.29 CCN(C(=O)C)C(C)CO 4671f0cdc2bf9097fe26993f6d59f0fb [0,2,0,0,0,0|0,0,1]=3 1270 B9R0.29 CCN(C(=O)CF)C(C)C fd9c0ecd9176f41e3ad6aa297dcf9372 [0,2,0,0,0,0|1,0,1]=4 1271 B9R0.29 CCN(C(=O)CO)C(C)C b2e3469fb1a25c7e9f806f4a1e940219 [0,2,0,0,0,0|0,0,1]=3 1272 B9R0.29 CCN(C(C)C)C(C)C=O cc246caaa129c47f4e2a5fa5fb5ab6a9 [0,2,0,0,0,0|0,0,2]=4 1273 B9R0.29 CCN(C(C)C)C(C)CO 9fc077fcc58d1e499f877e87f284f3f7 [0,2,0,0,0,0|0,0,0]=2 1274 B9R0.29 CCN(C(C)C)[C@@H](C)CO 2dee134384ec0d7ece20d1282f8fa99e [0,2,0,0,0,0|0,0,0]=2 1275 B9R0.29 CCN(C(C)C)[C@H](C)C=O 22d8cbe4025be05e893766496df72fe1 [0,2,0,0,0,0|0,0,2]=4 1276 B9R0.29 CCN(C(C)C)[C@H](C)CO c3c4c126381b52c846bf38b6f89c0065 [0,2,0,0,0,0|0,0,0]=2 1277 B9R0.33 C#CCN(C(C)C)C(C)C a653ba24645993f319a11b7da2b8e99d [0,2,0,0,0,0|1,0,1]=4 1278 B9R0.33 C=CCN(C(C)C)C(C)C dad21e3832b8e65958bf3f5a806c4770 [0,2,0,0,0,0|1,0,1]=4 1279 B9R0.33 CC(=O)N(CCO)C(C)C db2da04a52a94bce4e9fada5cc20d04d [0,2,0,0,0,0|0,0,1]=3 1280 B9R0.33 CC(C)C(NCO)C(C)C 342337571720a34bf291046b229f3a0e [0,2,0,0,0,0|2,0,0]=4 1281 B9R0.33 CC(C)N(CC#N)C(C)C 1b7718556c04e7e46eb84c8388436e21 [0,2,0,0,0,0|1,0,1]=4 1282 B9R0.33 CC(C)N(CC=O)C(C)C 8284731f3da4f7c1470713e43ab997ca [0,2,0,0,0,0|0,0,2]=4 1283 B9R0.33 CC(C)N(CCF)C(C)C 082e105e373faf891e7fec21ef9f1102 [0,2,0,0,0,0|1,0,0]=3 1284 B9R0.33 CC(C)N(CCO)C(C)C 657db15374af64af1d9b4ccb15c1591f [0,2,0,0,0,0|0,0,0]=2 1285 B9R0.33 CC(C)N(CCS)C(C)C 7682b5a3bcbca0e92cf4451a8bb49078 [0,2,0,0,0,0|0,1,0]=3 1286 B9R0.33 CCCN(C(=O)C)C(C)C 770a5d4d564bad1c1efe03fcbdb2b8dc [0,2,0,0,0,0|1,0,1]=4 1287 B9R0.33 CCCN(C(C)C)C(C)C e6a85de1e85529789ca76eff097dee99 [0,2,0,0,0,0|1,0,0]=3 1288 B9R0.33 COCN(C(C)C)C(C)C 77ea53ce073e1c9ab95e59bc41926351 [0,2,0,0,0,0|2,0,0]=4 1289 B9R0.39 C=C(C)CN(CC)C(C)C 43f71f24f666b3dba886d200dc13f36c [0,2,0,0,0,0|1,0,1]=4 1290 B9R0.39 C=C(Cl)CN(CC)C(C)C ada783e9a63c261e3ab5491d48689f9c [0,2,0,0,0,0|1,0,1]=4 1291 B9R0.39 CC(C)CN(CF)C(C)C 18961e8c251dac857cb8470fb6740497 [0,2,0,0,0,0|2,0,0]=4 1292 B9R0.39 CC(C)CN(CO)C(C)C b8b233719c061fe445ef8143a53054aa [0,2,0,0,0,0|2,0,0]=4 1293 B9R0.39 CC(C)N(CF)CC(=O)O fbcfb98f04e11cc85da91bf250fbdda7 [0,2,0,0,0,0|1,0,1]=4 1294 B9R0.39 CC(C)N(CO)CC(=O)O e1dd4cae1a1fde80fd16a2a4a1b81f5e [0,2,0,0,0,0|1,0,1]=4 1295 B9R0.39 CC(O)CN(C=O)C(C)C 930826c61c36db4e45d7fc1d12fc8667 [0,2,0,0,0,0|1,0,1]=4 1296 B9R0.39 CC(O)CN(CF)C(C)C 32f2cc8420a5f49f855160a7398084fc [0,2,0,0,0,0|1,0,0]=3 1297 B9R0.39 CC(O)CN(CO)C(C)C 4c4781578ab86ea61916477673570071 [0,2,0,0,0,0|1,0,0]=3 1298 B9R0.39 CCN(CC(=O)N)C(C)C 50d82a5a4d24004f09a0a0b41451a2fb [0,2,0,0,0,0|0,0,2]=4 1299 B9R0.39 CCN(CC(=O)O)C(C)C 493d0b65e3adcfa496122a54c1201266 [0,2,0,0,0,0|0,0,1]=3 1300 B9R0.39 CCN(CC(C)C)C(=O)C d3afa778674478bcd045a60bd0a7d7f9 [0,2,0,0,0,0|1,0,1]=4 1301 B9R0.39 CCN(CC(C)C)C(C)C a593f3cba3505bb02650157f0b254b38 [0,2,0,0,0,0|1,0,0]=3 1302 B9R0.39 CCN(CC(C)O)C(=O)C 277afb1450bd63b784532903e9ac21b6 [0,2,0,0,0,0|0,0,1]=3 1303 B9R0.39 CCN(CC(C)O)C(C)C a92a2d113f9f32410196aaea72548549 [0,2,0,0,0,0|0,0,0]=2 1304 B9R0.39 CCN(CC(F)F)C(=O)C 19cf8d5490d50c75acbeddfc07c8f450 [0,2,0,0,0,0|1,0,1]=4 1305 B9R0.39 CCN(CC(F)F)C(C)C 1a42d13b7c3e78e748043adcfbf825b6 [0,2,0,0,0,0|1,0,0]=3 1306 B9R0.39 CCN(CN(C)C)C(C)C fa700f06a988a328d25cc7b084f2f20a [0,2,0,0,0,0|2,0,0]=4 1307 B9R0.39 CCN(C[C@@H](C)O)C(C)C 4b4511daec91e9e51a588180b8451b6d [0,2,0,0,0,0|0,0,0]=2 1308 B9R0.39 CCN(C[C@H](C)O)C(=O)C bad726abafa164d2249e92029a2e2c34 [0,2,0,0,0,0|0,0,1]=3 1309 B9R0.39 CCN(C[C@H](C)O)C(C)C 311c11d08a53ed4ae6bfaacc90182b4e [0,2,0,0,0,0|0,0,0]=2 1310 B9R0.39 CCN(C[N+](=O)[O-])C(C)C fec7101fd5e8b10637072a187c27f35a [0,2,0,0,0,0|1,0,1]=4 1311 B9R0.14 C#CCN(CC)CC(=C)C f3749e7bae130c8be89987b0a9780309 [0,2,0,0,0,0|1,0,1]=4 1312 B9R0.14 C#CCN(CC)CC(=O)O 44e7a6faefe5ff13b678cc32158fde22 [0,2,0,0,0,0|0,0,2]=4 1313 B9R0.14 C#CCN(CC)CC(C)C 4d13f2cfd24799a119f2a29839493213 [0,2,0,0,0,0|1,0,1]=4 1314 B9R0.14 C#CCN(CC)CC(C)O 3823ef27bd18bfd82dabeb53cc58088b [0,2,0,0,0,0|0,0,1]=3 1315 B9R0.14 C#CCN(CC)CC(F)F 4373624e712e5d69a94d50c1d2b74992 [0,2,0,0,0,0|1,0,1]=4 1316 B9R0.14 C#CCN(CC)C[C@H](C)O 7a982b0ca42d7675197da5aef3be971b [0,2,0,0,0,0|0,0,1]=3 1317 B9R0.14 C=C(Br)CN(CC)CCC 71efa937846d8143f26b9112e59fa586 [0,2,0,0,0,0|1,0,1]=4 1318 B9R0.14 C=C(Br)CN(CC)CCCl 39bd21c6377f38b6b7c1faf686f29ee4 [0,2,0,0,0,0|1,0,1]=4 1319 B9R0.14 C=C(Br)CN(CC)CCO f466776621357755c2066a49ee66bfab [0,2,0,0,0,0|0,0,1]=3 1320 B9R0.14 C=C(Br)CN(CO)CCO c880a229d1baf609854b3bf487192903 [0,2,0,0,0,0|1,0,1]=4 1321 B9R0.14 C=C(C)CN(CC)CC#N 67892cc975301323b5df6fa185fb220c [0,2,0,0,0,0|1,0,1]=4 1322 B9R0.14 C=C(C)CN(CC)CC=O 5ae697b2d028696211e306ce96fc8a7b [0,2,0,0,0,0|0,0,2]=4 1323 B9R0.14 C=C(C)CN(CC)CCC 218ca8c9c217ebd9ae07f1c43d9dcf6f [0,2,0,0,0,0|1,0,0]=3 1324 B9R0.14 C=C(C)CN(CC)CCCl afd256d17f018a17016da9f37da370f5 [0,2,0,0,0,0|1,0,0]=3 1325 B9R0.14 C=C(C)CN(CC)CCF c675acf1bc31585cdf4d7c42fa45fb56 [0,2,0,0,0,0|1,0,0]=3 1326 B9R0.14 C=C(C)CN(CC)CCO 6df07a157e121cf738d3a4f713024718 [0,2,0,0,0,0|0,0,0]=2 1327 B9R0.14 C=C(C)CN(CC)CCS 943a99620355f40d00641da270a48c50 [0,2,0,0,0,0|0,1,0]=3 1328 B9R0.14 C=C(C)CN(CC)COC 9b02e3be21f5784d0faf0ce8215b4439 [0,2,0,0,0,0|1,0,1]=4 1329 B9R0.14 C=C(C)CN(CC)CSC 8a673f7e314c8ccc49983b9d05dce556 [0,2,0,0,0,0|1,0,1]=4 1330 B9R0.14 C=C(C)CN(CO)CCO b281864a48bd00f6e97caa8f4f9a27f0 [0,2,0,0,0,0|1,0,0]=3 1331 B9R0.14 C=C(Cl)CN(CC)CCC e34267aacdf54cb51183ea3b9e08e468 [0,2,0,0,0,0|1,0,1]=4 1332 B9R0.14 C=C(Cl)CN(CC)CCCl 07dd6b9e6142bab9804381e76eb6f158 [0,2,0,0,0,0|1,0,1]=4 1333 B9R0.14 C=C(Cl)CN(CC)CCO 7526df7d5b0201fe8cf789e06bf3cccd [0,2,0,0,0,0|0,0,1]=3 1334 B9R0.14 C=C(Cl)CN(CO)CCO a1ed5d8f17d11e914b1ac56199849ca9 [0,2,0,0,0,0|1,0,1]=4 1335 B9R0.14 C=CCN(CC)CC(=C)C 88e3a53876b04948dc652e04a3a206f5 [0,2,0,0,0,0|1,0,1]=4 1336 B9R0.14 C=CCN(CC)CC(=O)O 8a2022935676f2fe3b417e9ee3e3ec70 [0,2,0,0,0,0|0,0,2]=4 1337 B9R0.14 C=CCN(CC)CC(C)C 8bcc81010c17b6b3f92e93b1f6804094 [0,2,0,0,0,0|1,0,1]=4 1338 B9R0.14 C=CCN(CC)CC(C)O efad36a246616f61254caab72870dd24 [0,2,0,0,0,0|0,0,1]=3 1339 B9R0.14 C=CCN(CC)CC(F)F 4cafe851f3344f58ad08fc099b810769 [0,2,0,0,0,0|1,0,1]=4 1340 B9R0.14 C=CCN(CC)C[C@H](C)O f13359cb2bbc8f01b259955b19c76d52 [0,2,0,0,0,0|0,0,1]=3 1341 B9R0.14 CC(C)CN(CO)CCO ed4ceae4aba318599f67197369e37a20 [0,2,0,0,0,0|1,0,0]=3 1342 B9R0.14 CC(C)NC(CO)CCO 99df558d66f00158ccab91b3f7c9ae6a [0,2,0,0,0,0|2,0,0]=4 1343 B9R0.14 CC(C)N[C@@H](CO)CCO 2858c9bd02a5a3c7f25d0013ef1f9614 [0,2,0,0,0,0|2,0,0]=4 1344 B9R0.14 CC(C)O[C@@H](CO)CCO ef11568ea2d37fbfb5ba9408ffef36eb [0,2,0,0,0,0|2,0,0]=4 1345 B9R0.14 CC(O)CN(C=O)CCO 6ca391ae8a95ed8befe0b6f7734d4b39 [0,2,0,0,0,0|1,0,1]=4 1346 B9R0.14 CC(O)CN(CF)CCO 9ea1c68de4098406093b61243a0737b6 [0,2,0,0,0,0|1,0,0]=3 1347 B9R0.14 CC(O)CN(CO)CCO 59fb568be2d671858c8be751a8911771 [0,2,0,0,0,0|1,0,0]=3 1348 B9R0.14 CCC(CN(C)C)NCO 448d5ff30fcb345e34b4d23dc480db7a [0,2,0,0,0,0|2,0,0]=4 1349 B9R0.14 CCCC(CC)OC(C)C c50b63b5afd43bc9dd207a7943b338ed [0,2,0,0,0,0|2,0,0]=4 1350 B9R0.14 CCCN(C=O)CC(C)O 705e15c8a2a205eb0f8be6137aa0c707 [0,2,0,0,0,0|1,0,1]=4 1351 B9R0.14 CCCN(CC)CC(=O)N 9bf9e40bad95314a8a84e74e0471e384 [0,2,0,0,0,0|0,0,2]=4 1352 B9R0.14 CCCN(CC)CC(=O)O 3343166bff6a93f1a85ce8253803b19e [0,2,0,0,0,0|0,0,1]=3 1353 B9R0.14 CCCN(CC)CC(C)C 1c016e170fcff8eaad5487782273abfd [0,2,0,0,0,0|1,0,0]=3 1354 B9R0.14 CCCN(CC)CC(C)O fdce494f6b7ad74b25e78f00d600f5fd [0,2,0,0,0,0|0,0,0]=2 1355 B9R0.14 CCCN(CC)CC(F)F f25ed417c6949a670a73fbae1dd520e7 [0,2,0,0,0,0|1,0,0]=3 1356 B9R0.14 CCCN(CC)CN(C)C fd17c90c8d4a7300efe78e7eab0211f7 [0,2,0,0,0,0|1,0,0]=3 1357 B9R0.14 CCCN(CC)C[C@@H](C)O 2a7f105fa476e4363a7606e8692c64dc [0,2,0,0,0,0|0,0,0]=2 1358 B9R0.14 CCCN(CC)C[C@H](C)O 474bae344e062363814d8e7a4a2cf54c [0,2,0,0,0,0|0,0,0]=2 1359 B9R0.14 CCCN(CC)C[N+](=O)[O-] 472410ea4610d3b70bc63fd38d5344d0 [0,2,0,0,0,0|1,0,1]=4 1360 B9R0.14 CCCN(CF)CC(=O)O 21355191fdc7ce92b7c643dead498d77 [0,2,0,0,0,0|1,0,1]=4 1361 B9R0.14 CCCN(CF)CC(C)C e5c06337227320d2e200e1b90266320b [0,2,0,0,0,0|2,0,0]=4 1362 B9R0.14 CCCN(CF)CC(C)O 00b70c15b9fe1361230f692bf4530601 [0,2,0,0,0,0|1,0,0]=3 1363 B9R0.14 CCCN(CO)CC(=O)O a14f517247eea95393f8f124f075bdf9 [0,2,0,0,0,0|1,0,1]=4 1364 B9R0.14 CCCN(CO)CC(C)C 6f3756febe403b55bf9659a76e85f780 [0,2,0,0,0,0|2,0,0]=4 1365 B9R0.14 CCCN(CO)CC(C)O 654ec85215a12ae212a7db4d2d2c138d [0,2,0,0,0,0|1,0,0]=3 1366 B9R0.14 CCC[C@@H](CC)OC(C)C a39a86427e11d72d6f7273e04c6ecbea [0,2,0,0,0,0|2,0,0]=4 1367 B9R0.14 CCN(CC#N)CC(=O)O dbce1b8bf73fc16fc9690210930231a9 [0,2,0,0,0,0|0,0,2]=4 1368 B9R0.14 CCN(CC#N)CC(C)C 3495e92657216793c8eccface14abaa5 [0,2,0,0,0,0|1,0,1]=4 1369 B9R0.14 CCN(CC#N)CC(C)O 19d70630e4792b5dd894fe1f0c837de0 [0,2,0,0,0,0|0,0,1]=3 1370 B9R0.14 CCN(CC#N)CC(F)F 19ed0dc560f912b5182fcc2d840800ff [0,2,0,0,0,0|1,0,1]=4 1371 B9R0.14 CCN(CC#N)CN(C)C c1f24efadf4ba08575f72a938876261e [0,2,0,0,0,0|1,0,1]=4 1372 B9R0.14 CCN(CC#N)C[C@H](C)O 085964a49fbe12a829157123b1cf49e3 [0,2,0,0,0,0|0,0,1]=3 1373 B9R0.14 CCN(CC=O)CC(=O)O 7f5cd95513b3aca957092871375195a5 [0,2,0,0,0,0|0,0,2]=4 1374 B9R0.14 CCN(CC=O)CC(C)C 297e969ab1e837d2bbd0539198015021 [0,2,0,0,0,0|0,0,2]=4 1375 B9R0.14 CCN(CC=O)CC(C)O ed1b313135103c68d3a3fd7202af2a6d [0,2,0,0,0,0|0,0,1]=3 1376 B9R0.14 CCN(CC=O)CC(F)F 3b5e874261282455b0094fca45b1ef03 [0,2,0,0,0,0|0,0,2]=4 1377 B9R0.14 CCN(CC=O)C[C@H](C)O c51b4b749ce3f8308a5e40010dd9e954 [0,2,0,0,0,0|0,0,1]=3 1378 B9R0.14 CCN(CCCl)CC(=O)N 47f82dee4e0cfa390585a7f5ef96cc12 [0,2,0,0,0,0|0,0,2]=4 1379 B9R0.14 CCN(CCCl)CC(=O)O 403f715f5c6fe36d21bf6c5696a15127 [0,2,0,0,0,0|0,0,1]=3 1380 B9R0.14 CCN(CCCl)CC(C)C 59b704fb2477acb7c825e47fbc772fa6 [0,2,0,0,0,0|1,0,0]=3 1381 B9R0.14 CCN(CCCl)CC(C)O 919123f688c06bdc0f146ee9883c8a72 [0,2,0,0,0,0|0,0,0]=2 1382 B9R0.14 CCN(CCCl)CC(F)F fe03b999708ea434b7b53e493ef7e07f [0,2,0,0,0,0|1,0,0]=3 1383 B9R0.14 CCN(CCCl)CN(C)C d06e29ba7d253b394453257aeb36ad8e [0,2,0,0,0,0|1,0,0]=3 1384 B9R0.14 CCN(CCCl)C[C@@H](C)O 24e660d49d9e2fa616af857703e88897 [0,2,0,0,0,0|0,0,0]=2 1385 B9R0.14 CCN(CCCl)C[C@H](C)O 1150afe5f8f2320d60bb7859abce3d7f [0,2,0,0,0,0|0,0,0]=2 1386 B9R0.14 CCN(CCCl)C[N+](=O)[O-] f5c1e8960f81d3245bc10cfbe85faa04 [0,2,0,0,0,0|1,0,1]=4 1387 B9R0.14 CCN(CCF)CC(=O)O 9363597ee4b976e54757cc5583545bd2 [0,2,0,0,0,0|0,0,1]=3 1388 B9R0.14 CCN(CCF)CC(C)C e6938bdc80167044dd9548d3215cdf9b [0,2,0,0,0,0|1,0,0]=3 1389 B9R0.14 CCN(CCF)CC(C)O 0ce07ee359ad38cd3f4e54b0282b654f [0,2,0,0,0,0|0,0,0]=2 1390 B9R0.14 CCN(CCF)CC(F)F 0896e583a741a8294bfaa827e25bd408 [0,2,0,0,0,0|1,0,0]=3 1391 B9R0.14 CCN(CCF)C[C@H](C)O 7aa9a5e51b78b4147b770eb7e8d234df [0,2,0,0,0,0|0,0,0]=2 1392 B9R0.14 CCN(CCO)CC(=O)N b8d94447d9ac81fefa8bbdb2bab37eb6 [0,2,0,0,0,0|0,0,1]=3 1393 B9R0.14 CCN(CCO)CC(=O)O a910f1ae38fa7155c7b0579d5026162e [0,2,0,0,0,0|0,0,1]=3 1394 B9R0.14 CCN(CCO)CC(C)C 69c6ce2a3753e0345640b6339b0e78fb [0,2,0,0,0,0|0,0,0]=2 1395 B9R0.14 CCN(CCO)CC(C)O 65b95f800e210c8dbee03487cb66b3a3 [0,2,0,0,0,0|0,0,0]=2 1396 B9R0.14 CCN(CCO)CC(F)F cdc4a16b004dfe6d0f8abf3f78ec008a [0,2,0,0,0,0|0,0,0]=2 1397 B9R0.14 CCN(CCO)CN(C)C ed54f418cc09cf6f3285818f011f0002 [0,2,0,0,0,0|0,0,0]=2 1398 B9R0.14 CCN(CCO)C[C@H](C)O 313a2cf29eaa1419a9f0b86032856ded [0,2,0,0,0,0|0,0,0]=2 1399 B9R0.14 CCN(CCO)C[N+](=O)[O-] a992de0c4ccb24f3684a4faa7e73ee87 [0,2,0,0,0,0|1,0,0]=3 1400 B9R0.14 CCN(CCS)CC(=O)O 6ec05f62d2e444c0ffbe9eee263c8a2c [0,2,0,0,0,0|0,0,1]=3 1401 B9R0.14 CCN(CCS)CC(C)C bbb344d5aa329048e1bee71bc7fb2dfe [0,2,0,0,0,0|0,1,0]=3 1402 B9R0.14 CCN(CCS)CC(C)O e4374358926aa4f24ee1ac4a7f4ee71a [0,2,0,0,0,0|0,0,0]=2 1403 B9R0.14 CCN(CCS)CC(F)F de0c3cf96fc8bdd5aa818c84294a3b21 [0,2,0,0,0,0|0,1,0]=3 1404 B9R0.14 CCN(CCS)C[C@H](C)O b6f024e54d7ab4f3fb0b532a30ffee22 [0,2,0,0,0,0|0,0,0]=2 1405 B9R0.14 CCN(COC)CC(=O)O 396b8dfa8e235ba68ab33cc02ba85b2f [0,2,0,0,0,0|0,0,1]=3 1406 B9R0.14 CCN(COC)CC(C)C d451bea6a932590ff83dbe3ea65973c9 [0,2,0,0,0,0|1,0,0]=3 1407 B9R0.14 CCN(COC)CC(C)O 506ea5ef49dec0059c4b1c1ae27ca2a2 [0,2,0,0,0,0|0,0,0]=2 1408 B9R0.14 CCN(COC)CC(F)F 86e7ddb45129f885f41db0c156026f4b [0,2,0,0,0,0|1,0,0]=3 1409 B9R0.14 CCN(COC)C[C@H](C)O a92131fe35ee7d17dfb8702370f46880 [0,2,0,0,0,0|0,0,0]=2 1410 B9R0.14 CCN(CSC)CC(=O)O b9cab41d30c096602678e37256675821 [0,2,0,0,0,0|0,0,1]=3 1411 B9R0.14 CCN(CSC)CC(C)C da92b53232db00d6de340390d51b7a3a [0,2,0,0,0,0|1,0,0]=3 1412 B9R0.14 CCN(CSC)CC(C)O 73915bee1d469926d1a7317836a6136b [0,2,0,0,0,0|0,0,0]=2 1413 B9R0.14 CCN(CSC)CC(F)F ebab6b1b2a1d23e18eca1714aa913bb6 [0,2,0,0,0,0|1,0,0]=3 1414 B9R0.14 CCN(CSC)C[C@H](C)O 0ab68d5dac94bf2dc5ed56cda97a2153 [0,2,0,0,0,0|0,0,0]=2 1415 B9R0.14 CCNC(CC)CC(=O)O 46b3094fad7cebceb8943df84913f37e [0,2,0,0,0,0|1,0,1]=4 1416 B9R0.14 CCN[C@@H](CC)CC(=O)O 21df25326eabd4481a004736f4916afa [0,2,0,0,0,0|1,0,1]=4 1417 B9R0.14 CCN[C@H](CC)CC(=O)O a15a38745d4cdc3a3747943041323451 [0,2,0,0,0,0|1,0,1]=4 1418 B9R0.14 CCOC(CC)CC(=O)O 067fe73a7b822a47a7ba0f3d160fbef0 [0,2,0,0,0,0|1,0,1]=4 1419 B9R0.14 CCO[C@@H](CC)CC(=O)O 33e42c57d3d148d94f92e79e109828f9 [0,2,0,0,0,0|1,0,1]=4 1420 B9R0.14 CCO[C@H](CC)CC(=O)O 455a3fd4e9034df148e3bfd48e87cfe6 [0,2,0,0,0,0|1,0,1]=4 1421 B9R0.14 CN(C)CN(CO)CCO 41c56cde80410c2ea4a7d3753f1d1088 [0,2,0,0,0,0|1,0,0]=3 1422 B9R0.14 C[C@@H](O)CN(CO)CCO f06ce9593a81879a9437c62475088d47 [0,2,0,0,0,0|1,0,0]=3 1423 B9R0.14 C[C@H](O)CN(CO)CCO dc2d31069c4cc876f5d2de57e4c9ec70 [0,2,0,0,0,0|1,0,0]=3 1424 B9R0.14 NC(=O)CN(CO)CCO ed2efa26d022fe412f21de78a50e010f [0,2,0,0,0,0|1,0,1]=4 1425 B9R0.14 O=C(O)CN(CF)CCO baf48b2902b74d482cb2bc2e8eafd3f9 [0,2,0,0,0,0|1,0,1]=4 1426 B9R0.14 O=C(O)CN(CO)CCO ff99656facc30a5de7e795faadbd43ba [0,2,0,0,0,0|1,0,1]=4 1427 B9R0.14 O=CN(CCO)CC(F)F d48b0004cee9f6ea0e7e07be19886eb0 [0,2,0,0,0,0|1,0,1]=4 1428 B9R0.14 O=[N+]([O-])CN(CO)CCO 812a67c60bf201cd3f8d17038bc1eb21 [0,2,0,0,0,0|2,0,0]=4 1429 B9R0.14 OCCN(CF)CC(F)F 5e4c59192d8f9fbfc0683a77087140cd [0,2,0,0,0,0|1,0,0]=3 1430 B9R0.14 OCCN(CO)CC(F)F fa90c3fe41d39372cd34fd2d030221b1 [0,2,0,0,0,0|1,0,0]=3 1431 B9R0.41 CCN(CC)C(C)C(=O)O d0101ec35a87cbc02df1bafa51ac3540 [0,2,0,0,0,0|0,0,1]=3 1432 B9R0.41 CCN(CC)C(C)C(C)C 89b717167f2cefe3270a0b4d274cef82 [0,2,0,0,0,0|1,0,0]=3 1433 B9R0.41 CCN(CC)[C@@H](C)C(=O)O b293752e872bff7809db3f4999e13ed4 [0,2,0,0,0,0|0,0,1]=3 1434 B9R0.41 CCN(CC)[C@H](C)C(=O)O 4fad9fcac6c0bafd99691a6eb1b0ba2a [0,2,0,0,0,0|0,0,1]=3 1435 B9R0.41 CCN(CF)C(C)C(=O)O 11187c55a9fa3a1f00ebca063e5eb7f5 [0,2,0,0,0,0|1,0,1]=4 1436 B9R0.41 CCN(CF)C(C)C(C)C 9659912f22f3a2635bfcf5f6b4580e02 [0,2,0,0,0,0|2,0,0]=4 1437 B9R0.41 CCN(CF)[C@@H](C)C(=O)O 0bb66ee39bc122d2eff8007852f955ea [0,2,0,0,0,0|1,0,1]=4 1438 B9R0.41 CCN(CF)[C@H](C)C(=O)O f3004c27813452be49a3cf5ee642d8cc [0,2,0,0,0,0|1,0,1]=4 1439 B9R0.41 CCN(CO)C(C)C(=O)O dcebe1327b88d91fbf46b604427648b3 [0,2,0,0,0,0|1,0,1]=4 1440 B9R0.41 CCN(CO)C(C)C(C)C 2cfb52aa2af0f734b7a6cf3bf6ddc7fe [0,2,0,0,0,0|2,0,0]=4 1441 B9R0.41 CCN(CO)[C@@H](C)C(=O)O 2cf8e096294829744e401d0958772926 [0,2,0,0,0,0|1,0,1]=4 1442 B9R0.41 CCN(CO)[C@H](C)C(=O)O a98a367bfdf0574e9735d0d74e6e0690 [0,2,0,0,0,0|1,0,1]=4 1443 B9R0.52 CCN(C=O)CC(C)(C)O eddc3639764ce5767f2f29452065543b [0,2,0,0,0,0|1,0,1]=4 1444 B9R0.52 CCN(CC)CC(C)(C)O b61609f5b3ae224b6fdd0bddb4be28af [0,2,0,0,0,0|0,0,0]=2 1445 B9R0.52 CCN(CF)CC(C)(C)O d2d4ceeb4bc4a7b6e55a87b411ee5c6f [0,2,0,0,0,0|1,0,0]=3 1446 B9R0.52 CCN(CO)CC(C)(C)O 6e2a6bac8a1fc84393fd74814a82352d [0,2,0,0,0,0|1,0,0]=3 1447 B9R0.36 CC[C@@H](CO)N(C=O)CC efad061539e277db691b623c16861dcd [0,2,0,0,0,0|1,0,1]=4 1448 B9R0.36 CC[C@@H](CO)N(CC)CC 506ab911fdd154b4d8026738dab6bc7f [0,2,0,0,0,0|0,0,0]=2 1449 B9R0.36 CC[C@@H](CO)N(CC)CF 9dfb1d5bde9d5b7c19ba41f4cfe7ee2a [0,2,0,0,0,0|1,0,0]=3 1450 B9R0.36 CC[C@@H](CO)N(CC)CO 2aefe6e50d47d26946023cfe474b1a0a [0,2,0,0,0,0|1,0,0]=3 1451 B9R0.71 CCN(C=O)C(C)(C)CO 14ebe1cad4b9ede67a49d4dfcc755073 [0,2,0,0,0,0|1,0,1]=4 1452 B9R0.71 CCN(CC)C(C)(C)C#N 6fde80fddb0f2c6f3277868eb734f3ef [0,2,0,0,0,0|1,0,1]=4 1453 B9R0.71 CCN(CC)C(C)(C)CO 7387fcde749a9d71ed85a79bdc9a5532 [0,2,0,0,0,0|0,0,0]=2 1454 B9R0.71 CCN(CF)C(C)(C)CO 47e35701787f4cbe69252eb89ba27049 [0,2,0,0,0,0|1,0,0]=3 1455 B9R0.71 CCN(CO)C(C)(C)CO 97018e2536c1fb93409bac810d54a509 [0,2,0,0,0,0|1,0,0]=3 1456 B9R0.17 C#CCN(CC#C)CCO dbbccc41ff6a2c54fb7a4da823d10516 [0,2,0,0,0,0|0,0,2]=4 1457 B9R0.17 C#CCN(CC#N)CCO a2534bf1bb5302038859f3b0d87eae6f [0,2,0,0,0,0|0,0,2]=4 1458 B9R0.17 C#CCN(CC=C)CCO 6b32800eb421f4fce68b39a3a4288679 [0,2,0,0,0,0|0,0,2]=4 1459 B9R0.17 C#CCN(CC=O)CCO 704f152153f4ef7d169a5e4a88fba265 [0,2,0,0,0,0|0,0,2]=4 1460 B9R0.17 C#CCN(CCC)CCC 625172d6042cc9c40baab23490cd304b [0,2,0,0,0,0|1,0,1]=4 1461 B9R0.17 C#CCN(CCC)CCO 56081674cd755b18c6eb7b6d3d30cf36 [0,2,0,0,0,0|0,0,1]=3 1462 B9R0.17 C#CCN(CCCl)CCCl a3d40befadcfa1d295ead5a8ae3b4b12 [0,2,0,0,0,0|1,0,1]=4 1463 B9R0.17 C#CCN(CCO)CCF 43ba4b0d84d46142a05f93e059650496 [0,2,0,0,0,0|0,0,1]=3 1464 B9R0.17 C#CCN(CCO)CCO 239a7983e2428f329623963bb423b66f [0,2,0,0,0,0|0,0,1]=3 1465 B9R0.17 C#CCN(CCO)CCS 925c1723888a50cee49bf51ed1a6f94c [0,2,0,0,0,0|0,0,1]=3 1466 B9R0.17 C#CCN(CCO)COC 070a79e5f38515dcaf96da5c2e0677f6 [0,2,0,0,0,0|0,0,1]=3 1467 B9R0.17 C#CCN(CCO)CSC 4b5c7a630ddb3fa031abaade14bfbf10 [0,2,0,0,0,0|0,0,1]=3 1468 B9R0.17 C=CCN(CC#N)CCO f974e0f11c1445b3add7764775d5dd81 [0,2,0,0,0,0|0,0,2]=4 1469 B9R0.17 C=CCN(CC=C)CCO 5533ee45983a901c20e3e12c2ca72c4e [0,2,0,0,0,0|0,0,2]=4 1470 B9R0.17 C=CCN(CC=O)CCO 34cbd779c9e5998e94dfa4c6041825b5 [0,2,0,0,0,0|0,0,2]=4 1471 B9R0.17 C=CCN(CCC)CCC bae9fda9e09b5f106750036b4cb03055 [0,2,0,0,0,0|1,0,1]=4 1472 B9R0.17 C=CCN(CCC)CCF bc9dd43645e2d6bf0f415b72f248d615 [0,2,0,0,0,0|1,0,1]=4 1473 B9R0.17 C=CCN(CCC)CCO 950949ef906b5907ec94979351bcc1ac [0,2,0,0,0,0|0,0,1]=3 1474 B9R0.17 C=CCN(CCC)CCS 22850e1f7149472e977842cccb710467 [0,2,0,0,0,0|0,1,1]=4 1475 B9R0.17 C=CCN(CCC)COC 212e283eae6f492fe5b346ed8f7ea3da [0,2,0,0,0,0|1,0,1]=4 1476 B9R0.17 C=CCN(CCC)CSC aca4ee7c2695bbe24c4c6ea6c4c9971d [0,2,0,0,0,0|1,0,1]=4 1477 B9R0.17 C=CCN(CCCl)CCCl b5f91127253ef707bd9fbcce517bf975 [0,2,0,0,0,0|1,0,1]=4 1478 B9R0.17 C=CCN(CCO)CCF f38aaee7bc5a504253be3efb12b80776 [0,2,0,0,0,0|0,0,1]=3 1479 B9R0.17 C=CCN(CCO)CCO 65848fae3632b04a3370037e2cf4ffc6 [0,2,0,0,0,0|0,0,1]=3 1480 B9R0.17 C=CCN(CCO)CCS 1d7acf82ec5d1f65ac3a319843640415 [0,2,0,0,0,0|0,0,1]=3 1481 B9R0.17 C=CCN(CCO)COC 50383c966dd9c55685454d01d6e62417 [0,2,0,0,0,0|0,0,1]=3 1482 B9R0.17 C=CCN(CCO)CSC e03e467a9655401ebf0c64a56c73099a [0,2,0,0,0,0|0,0,1]=3 1483 B9R0.17 CCCC(CCC)NCC ddd45faa5306b27a1d72b76e087036bb [0,2,0,0,0,0|2,0,0]=4 1484 B9R0.17 CCCC(CCC)NCO d1140e3e226f7dbd1150e43fae13223a [0,2,0,0,0,0|2,0,0]=4 1485 B9R0.17 CCCC(CCC)OCC eaefef31a773bb3c066a25cae0992714 [0,2,0,0,0,0|2,0,0]=4 1486 B9R0.17 CCCC(CCO)NCC 7cd7153d642a14f8ac7540b4f6be6734 [0,2,0,0,0,0|1,0,0]=3 1487 B9R0.17 CCCC(CCO)NCF c19e8b1626924dcea456d9c029899d49 [0,2,0,0,0,0|2,0,0]=4 1488 B9R0.17 CCCC(CCO)NCO bbe705604a9e083ce340cda6117329ba [0,2,0,0,0,0|2,0,0]=4 1489 B9R0.17 CCCN(CC#N)CCC 94167c6d661e950673437927f92f5b50 [0,2,0,0,0,0|1,0,1]=4 1490 B9R0.17 CCCN(CC#N)CCO 8f3a2e0e8c8d9576a6bca5771f03c1f8 [0,2,0,0,0,0|0,0,1]=3 1491 B9R0.17 CCCN(CC=O)CCC 3f7ee899d33e18ef7369adb9b220d9b3 [0,2,0,0,0,0|0,0,2]=4 1492 B9R0.17 CCCN(CC=O)CCO 138004b89d5c4657e701909e51217872 [0,2,0,0,0,0|0,0,1]=3 1493 B9R0.17 CCCN(CCC)CCC 3ee87e643e51d7f886254b78136bfbd5 [0,2,0,0,0,0|1,0,0]=3 1494 B9R0.17 CCCN(CCC)CCF fe4cd6e3a173ced0b73ead427ac8cf7b [0,2,0,0,0,0|1,0,0]=3 1495 B9R0.17 CCCN(CCC)CCO d37662787662c230c63bd2d4f53d9c65 [0,2,0,0,0,0|0,0,0]=2 1496 B9R0.17 CCCN(CCC)CCS 96da4072d44ecfcf5e8a5e25bad187a3 [0,2,0,0,0,0|0,1,0]=3 1497 B9R0.17 CCCN(CCC)COC 1d27d8529023a829f1c8c36ac691b81a [0,2,0,0,0,0|1,0,0]=3 1498 B9R0.17 CCCN(CCC)CSC 48302ce535bd904e8b501031483c0641 [0,2,0,0,0,0|1,0,0]=3 1499 B9R0.17 CCCN(CCCl)CCCl 26b2e3d0e1ebede5b33ac8a267b226d8 [0,2,0,0,0,0|1,0,0]=3 1500 B9R0.17 CCCN(CCO)CCF 087c3d1b245ad85749f01a3cc9427133 [0,2,0,0,0,0|0,0,0]=2 1501 B9R0.17 CCCN(CCO)CCO dbf43f5a4753766c7b71146034d32e0c [0,2,0,0,0,0|0,0,0]=2 1502 B9R0.17 CCCN(CCO)CCS 7e50103dbdb1ce2547c4ccb37ef57bb5 [0,2,0,0,0,0|0,0,0]=2 1503 B9R0.17 CCCN(CCO)COC fe239edc25e9e27786321bb0164b398f [0,2,0,0,0,0|0,0,0]=2 1504 B9R0.17 CCCN(CCO)CSC 07111bcbf61ef6607b47bdae6ab5e44b [0,2,0,0,0,0|0,0,0]=2 1505 B9R0.17 CCNC(CCO)COC c9689fbfe7204ba0895b8ccb68f092a7 [0,2,0,0,0,0|1,0,0]=3 1506 B9R0.17 COCC(CCO)NCF 3a6180a87dfbdb2f5edf5369384d3d88 [0,2,0,0,0,0|2,0,0]=4 1507 B9R0.17 COCC(CCO)NCO 4aa331e3a87352fca8011ca81db7a5ba [0,2,0,0,0,0|2,0,0]=4 1508 B9R0.17 COCC(COC)NCO 0aeb10dd5d2cc8d66d8e6385eb66aa5f [0,2,0,0,0,0|2,0,0]=4 1509 B9R0.17 COCN(CCCl)CCCl c882e35d868b4cb7a68f0fd4b8ede773 [0,2,0,0,0,0|1,0,0]=3 1510 B9R0.17 COCN(CCO)CCO da026bd9b292d3239a73a3cbf7ad4e97 [0,2,0,0,0,0|0,0,0]=2 1511 B9R0.17 CSCN(CCCl)CCCl 913f73771052456620de5304e1412fe7 [0,2,0,0,0,0|1,0,0]=3 1512 B9R0.17 CSCN(CCO)CCO 1e099d7178bbd3a01cc2c24605e0bf8f [0,2,0,0,0,0|0,0,0]=2 1513 B9R0.17 FCCN(CCCl)CCCl ace625c836f47ed3b5003e79758fb338 [0,2,0,0,0,0|1,0,0]=3 1514 B9R0.17 N#CCN(CC#N)CCO b8f79eb17c989f4961caee9848096a7e [0,2,0,0,0,0|0,0,2]=4 1515 B9R0.17 N#CCN(CCCl)CCCl c583f63c6ad4df39e4ec16f3bb770254 [0,2,0,0,0,0|1,0,1]=4 1516 B9R0.17 N#CCN(CCO)CCO df7953a10c5d844d89439dac12b267c4 [0,2,0,0,0,0|0,0,1]=3 1517 B9R0.17 O=CCN(CCCl)CCCl 860a8d5cb37ae24e3f053ae107979a1c [0,2,0,0,0,0|0,0,2]=4 1518 B9R0.17 O=CCN(CCO)CCO 46a0d58f1e0667dd67d651318d28dd1f [0,2,0,0,0,0|0,0,1]=3 1519 B9R0.17 OCCN(CCCl)CCCl 4e981555171d7f73ae79d043541e8ec0 [0,2,0,0,0,0|0,0,0]=2 1520 B9R0.17 OCCN(CCO)CCF 7201da88475080ae8e43b93fec405641 [0,2,0,0,0,0|0,0,0]=2 1521 B9R0.17 OCCN(CCO)CCO b73b02e55a0dd3b0cff45ec4f1b146da [0,2,0,0,0,0|0,0,0]=2 1522 B9R0.17 OCCN(CCO)CCS 4a9bef79ee28fbd782fbaeb333083631 [0,2,0,0,0,0|0,0,0]=2 1523 B9R0.17 SCCN(CCCl)CCCl 2beee25f54a31f2089de07a6205eccee [0,2,0,0,0,0|0,1,0]=3 1524 B9R0.62 C#CC(CC)(CC)NCO 1d0679ee6c801d76c1d5d8b9a2313041 [0,2,0,0,0,0|2,0,0]=4 1525 B9R0.62 CCC(C#N)(CC)NCO 202e3668f4ee755ee2cba2a22aedd3fa [0,2,0,0,0,0|2,0,0]=4 1526 B7R1.1 CCN1CC=CC1 6c4c19a4974c3e71b2e06f869bc9eb5b [1,0,0,1,0,0|1,0,1]=4 1527 B7R1.1 CCN1CCSC1 730634b8317de27b8a9a28fdabe291cf [1,0,0,1,0,0|0,1,0]=3 1528 B7R1.1 FCN1CCSC1 280fb2e3c3c0e89c3fe1aee00c83a980 [1,0,0,1,0,0|1,1,0]=4 1529 B7R1.1 OCN1CCSC1 eae95837dccffc2f7a7274fcca16f66d [1,0,0,1,0,0|1,1,0]=4 1530 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [1,0,0,1,0,0|2,0,0]=4 1531 B7R1.6 C#CCN1CCC1 a67036b39eea70b25fe5aa470b5dece0 [1,0,0,1,0,0|1,0,1]=4 1532 B7R1.6 C=CCN1CCC1 e2cc8c962668cfacc8166017adc3ac9b [1,0,0,1,0,0|1,0,1]=4 1533 B7R1.6 CCCN1CCC1 a259a8722cbac8bcd506f8443743eda0 [1,0,0,1,0,0|1,0,0]=3 1534 B7R1.6 COCN1CCC1 fdad72c8566c59cd906eeb990103d9b4 [1,0,0,1,0,0|2,0,0]=4 1535 B7R1.6 CSCN1CCC1 8d8000922b7cbeced70675a205703dc0 [1,0,0,1,0,0|2,0,0]=4 1536 B7R1.6 FCCN1CCC1 52ac16ebd7ad59d3186f1b7ac85be8d4 [1,0,0,1,0,0|1,0,0]=3 1537 B7R1.6 N#CCN1CCC1 d0490af96e6e986bbe19ad53bdee2c58 [1,0,0,1,0,0|1,0,1]=4 1538 B7R1.6 O=CCN1CCC1 c2093fa3a09c779905e30743087db6d6 [1,0,0,1,0,0|0,0,2]=4 1539 B7R1.6 OCCN1CCC1 1d260cf3c54be4529d167a32e498c498 [1,0,0,1,0,0|0,0,0]=2 1540 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [1,0,0,1,0,0|2,0,0]=4 1541 B7R1.6 SCCN1CCC1 ec2df4a9d0cd081fc93da3aeca69b593 [1,0,0,1,0,0|0,1,0]=3 1542 B7R1.10 CCN1CC(C1)F 32dfb695f78a1b5517c30939c82ebced [1,0,0,1,0,0|1,0,0]=3 1543 B7R1.10 CCN1CC(C1)O 64169be24f24ac0d0d4e63cfda9c5a6f [1,0,0,1,0,0|0,0,0]=2 1544 B7R1.10 FCN1CC(C1)F 9d65814a937cc70495afa4b165d3de7e [1,0,0,1,0,0|2,0,0]=4 1545 B7R1.10 O=CN1CC(C1)O c56a5fb25f079a78b4196509b3241e16 [1,0,0,1,0,0|1,0,1]=4 1546 B7R1.10 OC1CN(C1)CF 00533f4df47086d1b9435610d4d9a2c0 [1,0,0,1,0,0|1,0,0]=3 1547 B7R1.10 OCN1CC(C1)F 19e43561c9bc42c0c5d943ae8dadd218 [1,0,0,1,0,0|2,0,0]=4 1548 B7R1.10 OCN1CC(C1)O 9ae7c55c7b7297a67fda8e2d11f0601d [1,0,0,1,0,0|1,0,0]=3 1549 B7R1.21 CC1(CC1)NCO 531fb08d002be0f82ba9f2a9eeb36d37 [1,0,0,1,0,0|2,0,0]=4 1550 B7R1.22 CCN(C)C1CC1 476aa428dda8fdb06e16725a89d0042d [1,0,0,1,0,0|1,0,0]=3 1551 B7R1.22 CN(CF)C1CC1 54383ec2d9da18df279ed6de4a3d8d6d [1,0,0,1,0,0|2,0,0]=4 1552 B7R1.22 CN(CO)C1CC1 6f2172a1520d8d373b29f297b52bc26d [1,0,0,1,0,0|2,0,0]=4 1553 B9R1.1 CC1CCN(CC1)CF ba646efe21bea01afbd9f0784f1ddf69 [0,1,0,1,0,0|2,0,0]=4 1554 B9R1.1 CC1CCN(CC1)CO 26b7dfa38ac2efd8f0c6b91628c67d49 [0,1,0,1,0,0|2,0,0]=4 1555 B9R1.1 CCN1CC=C(CC1)Br f13eef64baa3f192becc16ff7336bfe3 [0,1,0,1,0,0|1,0,1]=4 1556 B9R1.1 CCN1CCC(CC1)C a577c2cc6fb3debcbb948a1b7bbb62d2 [0,1,0,1,0,0|1,0,0]=3 1557 B9R1.1 CCN1CCC(CC1)Cl 3956ea1f3ace4fa78a56626a2ff87699 [0,1,0,1,0,0|1,0,0]=3 1558 B9R1.1 CCN1CCC(CC1)F 6a91477713620c575e23ba80546f7811 [0,1,0,1,0,0|1,0,0]=3 1559 B9R1.1 CCN1CCC(CC1)I c954b3dcc5466efe509bdf2291379c31 [0,1,0,1,0,0|1,0,0]=3 1560 B9R1.1 CCN1CCC(CC1)O 4da5eaa0cc000ad7f1b24ad00a3ade1d [0,1,0,1,0,0|0,0,0]=2 1561 B9R1.1 CCN1CCN(CC1)C e46352d3f5445022fefcfcf19a75abbd [0,1,0,1,0,0|1,0,0]=3 1562 B9R1.1 CN1CCN(CC1)CF 96674df02cfcd642dca5f0bbe5bbf165 [0,1,0,1,0,0|2,0,0]=4 1563 B9R1.1 CN1CCN(CC1)CO 01db1e442ebb859eccd54ce206f3e555 [0,1,0,1,0,0|2,0,0]=4 1564 B9R1.1 FCN1CCC(CC1)Cl a165c4a45e087277a8d7e227c8c747dd [0,1,0,1,0,0|2,0,0]=4 1565 B9R1.1 FCN1CCC(CC1)F 3c6521aa7595091a40501967a4b6b255 [0,1,0,1,0,0|2,0,0]=4 1566 B9R1.1 FCN1CCC(CC1)I baa5ba51c0447659d2f2190d7bfadc11 [0,1,0,1,0,0|2,0,0]=4 1567 B9R1.1 O=CN1CCC(CC1)O 9119fcb5a9f758b718576c8b3456fe09 [0,1,0,1,0,0|1,0,1]=4 1568 B9R1.1 OC1CCN(CC1)CF 0e6bf0c37f3fe2afbf92a30fc3724715 [0,1,0,1,0,0|1,0,0]=3 1569 B9R1.1 OCN1CCC(CC1)Cl 737658df764a220dd5cc1d26b1bde051 [0,1,0,1,0,0|2,0,0]=4 1570 B9R1.1 OCN1CCC(CC1)F 2cd1b296555734462ecd117608b0f95f [0,1,0,1,0,0|2,0,0]=4 1571 B9R1.1 OCN1CCC(CC1)I c5a53019f2579defd4a18520dfc32ef9 [0,1,0,1,0,0|2,0,0]=4 1572 B9R1.1 OCN1CCC(CC1)O 8c9fdfb456137554f80d512222114412 [0,1,0,1,0,0|1,0,0]=3 1573 B9R1.4 C#CCN1CCC1CC b9d3cd0fe97e9d79ac2d3793c08548ec [0,1,0,1,0,0|1,0,1]=4 1574 B9R1.4 C#CCN1CCC1CO ebaf995c52d91140fe1433f639316738 [0,1,0,1,0,0|0,0,1]=3 1575 B9R1.4 C#CCN1CC[C@@H]1CO 196125ac590c496911c9565d19c363f0 [0,1,0,1,0,0|0,0,1]=3 1576 B9R1.4 C#CCN1CC[C@H]1CO e9ffdfcd084e2756bc15857c8842e14d [0,1,0,1,0,0|0,0,1]=3 1577 B9R1.4 C=CCN1CCC1CC 80dfc38a710a73642943fc9e6dca1e58 [0,1,0,1,0,0|1,0,1]=4 1578 B9R1.4 C=CCN1CCC1CO 36c7f5d9b97a27b83589e7c8fb4c66f2 [0,1,0,1,0,0|0,0,1]=3 1579 B9R1.4 C=CCN1CC[C@@H]1CO 0224d8d811d38ebd98b16fac394235b9 [0,1,0,1,0,0|0,0,1]=3 1580 B9R1.4 C=CCN1CC[C@H]1CO e8ceceb5a8d84f9c7fe1abe7686377a6 [0,1,0,1,0,0|0,0,1]=3 1581 B9R1.4 CCC1CCN1CC#N 1e15919ebf226a29b5c34fd792dd3205 [0,1,0,1,0,0|1,0,1]=4 1582 B9R1.4 CCC1CCN1CC=O aee48a138645dd7a756ef2b78311f413 [0,1,0,1,0,0|0,0,2]=4 1583 B9R1.4 CCC1CCN1CCF e83832e76db1764f085fa01a2d26e7f4 [0,1,0,1,0,0|1,0,0]=3 1584 B9R1.4 CCC1CCN1CCO 42e0c0d6b21111978f6a52e5b99908e1 [0,1,0,1,0,0|0,0,0]=2 1585 B9R1.4 CCC1CCN1CCS 02f96558439bcb2cab2f5e51ee0e1ee0 [0,1,0,1,0,0|0,1,0]=3 1586 B9R1.4 CCC1CCN1COC a0151a3c3e58bd85c763dd3a1a9a1267 [0,1,0,1,0,0|1,0,0]=3 1587 B9R1.4 CCC1CCN1CSC edf2d038c36316dce345a9fff0fd60c7 [0,1,0,1,0,0|1,0,0]=3 1588 B9R1.4 CCCN1CCC1CC ffd208b29fec7bd4973f3c2e2df945a8 [0,1,0,1,0,0|1,0,0]=3 1589 B9R1.4 CCCN1CCC1CO 33129f2326759bd9720a53e2ca2c6bf6 [0,1,0,1,0,0|0,0,0]=2 1590 B9R1.4 CCCN1CC[C@@H]1CO e1b1e89d7dc4e0489358392e42c76f69 [0,1,0,1,0,0|0,0,0]=2 1591 B9R1.4 CCCN1CC[C@H]1CO d7949bf66e85eea0dd23f24feebae878 [0,1,0,1,0,0|0,0,0]=2 1592 B9R1.4 CCN1CCC1CCO 8ae3244fa8f43e0a305689cf5a724afa [0,1,0,1,0,0|0,0,0]=2 1593 B9R1.4 CCN1CCC1COC e67d05205d1bdb3e9257bbabd5608dd9 [0,1,0,1,0,0|0,0,0]=2 1594 B9R1.4 CCN1CC[C@@H]1COC 6f30b4052ce34d38b3a5648c96c1f144 [0,1,0,1,0,0|0,0,0]=2 1595 B9R1.4 CCN1CC[C@H]1COC ccab33799af8fdd6316402dcaac2513e [0,1,0,1,0,0|0,0,0]=2 1596 B9R1.4 COC1CCC1NCO 34d3b5473eca3a454c72229f2fb6c05d [0,1,0,1,0,0|2,0,0]=4 1597 B9R1.4 COCC1CCN1C=O c8b8b5b0fdbcc9317c0fd4bfbe42e156 [0,1,0,1,0,0|1,0,1]=4 1598 B9R1.4 COCC1CCN1CF 986ac45dbf79ebc5a09ab524888d7322 [0,1,0,1,0,0|1,0,0]=3 1599 B9R1.4 COCC1CCN1CO 107ad71ef932c9ae80d0f40b139b7c82 [0,1,0,1,0,0|1,0,0]=3 1600 B9R1.4 COCN1CCC1CO d24cece747661acb116b0fcbe2ec885e [0,1,0,1,0,0|0,0,0]=2 1601 B9R1.4 COCN1CC[C@@H]1CO f90cc9458de36233989af8de9b86db49 [0,1,0,1,0,0|0,0,0]=2 1602 B9R1.4 COCN1CC[C@H]1CO 2b438a549028c0f01754e94e4361318b [0,1,0,1,0,0|0,0,0]=2 1603 B9R1.4 COC[C@@H]1CCN1C=O 4300e27a8cfd5eda3ca1f78e5c5877b6 [0,1,0,1,0,0|1,0,1]=4 1604 B9R1.4 COC[C@@H]1CCN1CF fb6ebe2d4ec0e6130b2bca7474a9b66c [0,1,0,1,0,0|1,0,0]=3 1605 B9R1.4 COC[C@@H]1CCN1CO feb0ea403c0f6c4cfa4fa6bd61db4087 [0,1,0,1,0,0|1,0,0]=3 1606 B9R1.4 COC[C@H]1CCN1C=O dc6d58be0dbd75769c416bde7f6785a9 [0,1,0,1,0,0|1,0,1]=4 1607 B9R1.4 COC[C@H]1CCN1CF 96431669bb1de870dc16af9be6789464 [0,1,0,1,0,0|1,0,0]=3 1608 B9R1.4 COC[C@H]1CCN1CO dd01148dd3f31f57fd6751d09527515c [0,1,0,1,0,0|1,0,0]=3 1609 B9R1.4 CO[C@@H]1CC[C@@H]1NCO aebf712730d38ff289bdefc83961f3cc [0,1,0,1,0,0|2,0,0]=4 1610 B9R1.4 CO[C@@H]1CC[C@H]1NCO 42b9c93b828ecd71d537c082d032c141 [0,1,0,1,0,0|2,0,0]=4 1611 B9R1.4 CO[C@H]1CC[C@@H]1NCO c82d40da3783ac1b8f39fd9bab6d973a [0,1,0,1,0,0|2,0,0]=4 1612 B9R1.4 CO[C@H]1CC[C@H]1NCO e14b5cfcb22d221e863e424c1e1ada80 [0,1,0,1,0,0|2,0,0]=4 1613 B9R1.4 CSCN1CCC1CO d7f609e3775eb225212784a96f63e712 [0,1,0,1,0,0|0,0,0]=2 1614 B9R1.4 CSCN1CC[C@@H]1CO de2a1fa0da671df0d7f70d7fd00e0f7d [0,1,0,1,0,0|0,0,0]=2 1615 B9R1.4 CSCN1CC[C@H]1CO 202969e70e5903fdc064977db5226933 [0,1,0,1,0,0|0,0,0]=2 1616 B9R1.4 N#CCN1CCC1CO 9ce423625cf95d8ec60990b569d61d1c [0,1,0,1,0,0|0,0,1]=3 1617 B9R1.4 N#CCN1CC[C@@H]1CO ca4a9bab3803380e5089d81800aff669 [0,1,0,1,0,0|0,0,1]=3 1618 B9R1.4 N#CCN1CC[C@H]1CO 3160c898cbd317402c066ee7ce394217 [0,1,0,1,0,0|0,0,1]=3 1619 B9R1.4 O=CCN1CCC1CO 95a9c6cf997b1ee1bea439b0af827cb9 [0,1,0,1,0,0|0,0,1]=3 1620 B9R1.4 O=CCN1CC[C@@H]1CO d986023f80a4fb46daf987d35489bd1d [0,1,0,1,0,0|0,0,1]=3 1621 B9R1.4 O=CCN1CC[C@H]1CO f110fa973937fd6be620801acb63a0fb [0,1,0,1,0,0|0,0,1]=3 1622 B9R1.4 O=CN1CCC1CCO c85a94914843f4f69a819dff95e34c1e [0,1,0,1,0,0|1,0,1]=4 1623 B9R1.4 OCC1CCN1CCF 5674d6d4d2eadaff4a99e28036db5213 [0,1,0,1,0,0|0,0,0]=2 1624 B9R1.4 OCC1CCN1CCS b8279c68a4da293667d0570327b54e30 [0,1,0,1,0,0|0,0,0]=2 1625 B9R1.4 OCCC1CCN1CF 3fdc8496d9fed62eaffea4422fb302ea [0,1,0,1,0,0|1,0,0]=3 1626 B9R1.4 OCCC1CCN1CO 15957b99b4273cedff8b22d89d65d632 [0,1,0,1,0,0|1,0,0]=3 1627 B9R1.4 OCCN1CCC1CO 011825fd67d2f5a014372922816538a7 [0,1,0,1,0,0|0,0,0]=2 1628 B9R1.4 OCCN1CC[C@@H]1CO 6395e22f27034fd1b06c1559ef935719 [0,1,0,1,0,0|0,0,0]=2 1629 B9R1.4 OCCN1CC[C@H]1CO ae67e3e463fbdd48944d12027dc9b428 [0,1,0,1,0,0|0,0,0]=2 1630 B9R1.4 OC[C@@H]1CCN1CCF 00619a891d7cc54cf406f14f8c07c34c [0,1,0,1,0,0|0,0,0]=2 1631 B9R1.4 OC[C@@H]1CCN1CCS 365ad4e477f16e1a1f8ac72ad958dcf2 [0,1,0,1,0,0|0,0,0]=2 1632 B9R1.4 OC[C@H]1CCN1CCF 85142badeedecb60f7cab01d0fe071bc [0,1,0,1,0,0|0,0,0]=2 1633 B9R1.4 OC[C@H]1CCN1CCS b53de1ac48adab36fb41635ab3f19244 [0,1,0,1,0,0|0,0,0]=2 1634 B9R1.12 BrCCNC1CCCC1 c6c521b2ce9b0d6d3447aa138bc49678 [0,1,0,1,0,0|2,0,0]=4 1635 B9R1.12 C#CCCN1CCSC1 d1661adc196ee0ef77f81410c2b11778 [0,1,0,1,0,0|2,0,0]=4 1636 B9R1.12 C=CCCN1CCSC1 0e6122f82e19674b62d031829ef6e6c3 [0,1,0,1,0,0|2,0,0]=4 1637 B9R1.12 CCCCN1CCSC1 eb973459745f14d3b9e84a65caeb4d73 [0,1,0,1,0,0|2,0,0]=4 1638 B9R1.12 CCCNC1CCCC1 6c561cdfdd3ce17ce90e8fda71317d57 [0,1,0,1,0,0|2,0,0]=4 1639 B9R1.12 CCCOC1CCCC1 8b31bdd2ae6636509668964f17d3af12 [0,1,0,1,0,0|2,0,0]=4 1640 B9R1.12 CCNCC1CCCC1 5a3ad05440161202bff87c340c2ae6eb [0,1,0,1,0,0|2,0,0]=4 1641 B9R1.12 CCOCC1CCCC1 78dfb99153363e6ae71186392081c4c4 [0,1,0,1,0,0|2,0,0]=4 1642 B9R1.12 CCOCN1CCCC1 10706d052d0b8a1bdaf6406298dca6b2 [0,1,0,1,0,0|1,0,0]=3 1643 B9R1.12 CCOCN1CCSC1 ec35453af9a09dcfa1e30b0412e08897 [0,1,0,1,0,0|2,0,0]=4 1644 B9R1.12 COCCN1CC=CC1 093d4d897c468c60d6ad4ebee967ea47 [0,1,0,1,0,0|0,0,2]=4 1645 B9R1.12 COCCN1CCSC1 fbc120bdb7f0a7288cad0bc1815f3fcd [0,1,0,1,0,0|1,0,0]=3 1646 B9R1.12 COCNC1CCCC1 69ef5e2fdd70a2f2bb46ba3386c41e11 [0,1,0,1,0,0|2,0,0]=4 1647 B9R1.12 COCOC1CCCC1 2943e1e93dd873c7391396ec9633419e [0,1,0,1,0,0|2,0,0]=4 1648 B9R1.12 CSCCN1CCSC1 5330def4ebccba2ac536ca5f89b991e9 [0,1,0,1,0,0|1,1,0]=4 1649 B9R1.12 FCCCN1CCSC1 04b2512b6d12d8d8c55f518f33d4aa31 [0,1,0,1,0,0|2,0,0]=4 1650 B9R1.12 FCCNC1CCCC1 eaad322a8d099d7489668f25d58860c1 [0,1,0,1,0,0|2,0,0]=4 1651 B9R1.12 FCCOC1CCCC1 b4ff08bedab1a43d91a75b49048b20b0 [0,1,0,1,0,0|2,0,0]=4 1652 B9R1.12 FCNCC1CCCC1 9277e70e00c6b640519328c5935762a1 [0,1,0,1,0,0|2,0,0]=4 1653 B9R1.12 FCOCC1CCCC1 adc3b963cccb9f54cfa066ef371e1987 [0,1,0,1,0,0|2,0,0]=4 1654 B9R1.12 FCOCN1CCCC1 90a4e65a9314c8d846670a8ac88fc351 [0,1,0,1,0,0|1,0,0]=3 1655 B9R1.12 ICCNC1CCCC1 19ea301c24e23b4e61e0ae848fc57619 [0,1,0,1,0,0|2,0,0]=4 1656 B9R1.12 N#CCCN1CCSC1 4664026b2d04ad8e73c647574099cee9 [0,1,0,1,0,0|2,0,0]=4 1657 B9R1.12 O/C=C\CN1CCSC1 079c6cf3e8d7134398716e91353b8a9f [0,1,0,1,0,0|1,0,1]=4 1658 B9R1.12 O=CCCN1CCSC1 819953bd2902a335952003d0e2062a4c [0,1,0,1,0,0|1,0,1]=4 1659 B9R1.12 OCCCN1CC=CC1 c06c37422b3d9b28b0837003ef642590 [0,1,0,1,0,0|0,0,2]=4 1660 B9R1.12 OCCCN1CCSC1 5520df57acea4dd7eb8b9ab2544ceb00 [0,1,0,1,0,0|1,0,0]=3 1661 B9R1.12 OCCNC1CCCC1 9d5f875d5eb73651d88d7104c6380a67 [0,1,0,1,0,0|1,0,0]=3 1662 B9R1.12 OCCNC1CCOC1 fdf6b6dc414a88b0f36bfd4a50f03298 [0,1,0,1,0,0|2,0,0]=4 1663 B9R1.12 OCCNC1CCSC1 d99cb9c06f8367be24a6045e92e955c2 [0,1,0,1,0,0|2,0,0]=4 1664 B9R1.12 OCCN[C@@H]1CCOC1 28970b6b2470767fd2ccedecbbb062c9 [0,1,0,1,0,0|2,0,0]=4 1665 B9R1.12 OCCN[C@H]1CCOC1 9bad1cfbb4774db40715135436877842 [0,1,0,1,0,0|2,0,0]=4 1666 B9R1.12 OCNCC1CCCC1 63e67e159d02f35a31c5acd4ee272edf [0,1,0,1,0,0|1,0,0]=3 1667 B9R1.12 OCNCC1CCCO1 7c0145316512c0419865b607461c30ec [0,1,0,1,0,0|2,0,0]=4 1668 B9R1.12 OCNCC1CCOC1 032d8b6e84b177c1da4b8ce765a00bf4 [0,1,0,1,0,0|2,0,0]=4 1669 B9R1.12 OCNC[C@@H]1CCCO1 31a00fae912ba8548490b36aab3d2de9 [0,1,0,1,0,0|2,0,0]=4 1670 B9R1.12 OCNC[C@@H]1CCOC1 80da478af0eddeea50d3e38dcddd96c5 [0,1,0,1,0,0|2,0,0]=4 1671 B9R1.12 OCNC[C@H]1CCCO1 a07951c9126dda0c80fe24218d274d55 [0,1,0,1,0,0|2,0,0]=4 1672 B9R1.12 OCNC[C@H]1CCOC1 7e43c06cf849cb0033f39f0aa724fa6a [0,1,0,1,0,0|2,0,0]=4 1673 B9R1.12 SCCCN1CCSC1 2f5e4b9ddff4dcf943dca27f6f459d65 [0,1,0,1,0,0|1,1,0]=4 1674 B9R1.12 SCCNC1CCCC1 e2eae66ddbb4a3e20964edeb91df585c [0,1,0,1,0,0|1,1,0]=4 1675 B9R1.12 SCCOC1CCCC1 ce0001e3012cc122d56bcdd753ee7ed0 [0,1,0,1,0,0|1,1,0]=4 1676 B9R1.15 CC1CCCCN1CF d88c0fc977e244cef0165c65eaf60df6 [0,1,0,1,0,0|2,0,0]=4 1677 B9R1.15 CC1CCCCN1CO 51fa6066fe243cadf796064968abed1d [0,1,0,1,0,0|2,0,0]=4 1678 B9R1.15 CC1COCCN1C=O 04bb76f81435fa2bb54099b84251b430 [0,1,0,1,0,0|1,0,1]=4 1679 B9R1.15 CC1COCCN1CF 401bd486c04b9a07bbe49b4540096330 [0,1,0,1,0,0|1,0,0]=3 1680 B9R1.15 CC1COCCN1CO 705303c7f5b77544a5d6b874419dd2f3 [0,1,0,1,0,0|1,0,0]=3 1681 B9R1.15 CCN1CCCCC1C 28e743f092b5d55e839b70e50dc82b80 [0,1,0,1,0,0|1,0,0]=3 1682 B9R1.15 CCN1CCCC[C@@H]1C d0a42fe80f49390641bb4a8e5e43e1b0 [0,1,0,1,0,0|1,0,0]=3 1683 B9R1.15 CCN1CCCC[C@H]1C 61ad9d261f1361a702e2f429d28a7219 [0,1,0,1,0,0|1,0,0]=3 1684 B9R1.15 CCN1CCOCC1C d988f162f59d8d529a05d21c4fa9e52e [0,1,0,1,0,0|0,0,0]=2 1685 B9R1.15 CCN1CCOC[C@@H]1C b796884dca54268fe3558fca50be7fce [0,1,0,1,0,0|0,0,0]=2 1686 B9R1.15 CCN1CCOC[C@H]1C b06b9b18794e3a242396ddab5337643c [0,1,0,1,0,0|0,0,0]=2 1687 B9R1.15 C[C@@H]1CCCCN1CF f954ea957f61bd82bd8819d1554013e8 [0,1,0,1,0,0|2,0,0]=4 1688 B9R1.15 C[C@@H]1CCCCN1CO 48a916b223b43cd97604cd793c27c7ee [0,1,0,1,0,0|2,0,0]=4 1689 B9R1.15 C[C@@H]1COCCN1C=O 0c7d5e9730004733a4641e1221ef05f8 [0,1,0,1,0,0|1,0,1]=4 1690 B9R1.15 C[C@@H]1COCCN1CF 9c39bfec5c926b2ec842e40e26f0d812 [0,1,0,1,0,0|1,0,0]=3 1691 B9R1.15 C[C@@H]1COCCN1CO cc00a904ba5929613dd582b457b98630 [0,1,0,1,0,0|1,0,0]=3 1692 B9R1.15 C[C@H]1CCCCN1CF 4b526ffb905b85ad6875d291622a9b36 [0,1,0,1,0,0|2,0,0]=4 1693 B9R1.15 C[C@H]1CCCCN1CO c9f51543a38eb85e2bdab1d085a77a87 [0,1,0,1,0,0|2,0,0]=4 1694 B9R1.15 C[C@H]1COCCN1C=O 768699be3648dab4c6a8b1f24cf31cd1 [0,1,0,1,0,0|1,0,1]=4 1695 B9R1.15 C[C@H]1COCCN1CF bfb8a48aab5613f75bb3a939e4ce04c1 [0,1,0,1,0,0|1,0,0]=3 1696 B9R1.15 C[C@H]1COCCN1CO baf0a3d72ae51972944f2afc0599cf12 [0,1,0,1,0,0|1,0,0]=3 1697 B9R1.21 C#CC1CCN(C1)CC 104b62a958750b8001d1495467f91a96 [0,1,0,1,0,0|1,0,0]=3 1698 B9R1.21 C#CC1CCN(C1)CF 01729f46d7438ca98c6d1e7cfddc69e1 [0,1,0,1,0,0|2,0,0]=4 1699 B9R1.21 C#CC1CCN(C1)CO 2b79cb2428d24fcd4ef69df1c094ad7d [0,1,0,1,0,0|2,0,0]=4 1700 B9R1.21 C=CC1CCN(C1)CC 9fddcf238bb967e6e4de7b404f198b49 [0,1,0,1,0,0|1,0,0]=3 1701 B9R1.21 C=CC1CCN(C1)CF 148a29ba06e8e8baed1c171ce657ec63 [0,1,0,1,0,0|2,0,0]=4 1702 B9R1.21 C=CC1CCN(C1)CO f7a9f45146e12984baba4abfae9d8fb8 [0,1,0,1,0,0|2,0,0]=4 1703 B9R1.21 CCC1CCN(C1)CC 6f51d89a5d35c064542820e6670e33cf [0,1,0,1,0,0|1,0,0]=3 1704 B9R1.21 CCC1CCN(C1)CF 8726fda051d18f41fbf67e58222ca328 [0,1,0,1,0,0|2,0,0]=4 1705 B9R1.21 CCC1CCN(C1)CO d6731118e4ffc5593845df2f4ad3ee35 [0,1,0,1,0,0|1,0,0]=3 1706 B9R1.21 CCN1CCC(C1)C#N f2af3c79f6e999a047e291993c3a9ab6 [0,1,0,1,0,0|1,0,0]=3 1707 B9R1.21 CCN1CCC(C1)CO acdff276d4b839ef8c04381939dbe5e7 [0,1,0,1,0,0|0,0,0]=2 1708 B9R1.21 CCN1CCC(C1)OC c694f1b910dc1226753ce4b32992673c [0,1,0,1,0,0|0,0,0]=2 1709 B9R1.21 CCN1CC[C@@H](C1)C#N cdc4f7c22b13338ca60f395045c1919c [0,1,0,1,0,0|1,0,0]=3 1710 B9R1.21 CCN1CC[C@@H](C1)CO 48328545a7d872fb4c0919a7aad4a213 [0,1,0,1,0,0|0,0,0]=2 1711 B9R1.21 CCN1CC[C@@H](C1)OC 1ae8e779487f2e63cf81c259af35aef4 [0,1,0,1,0,0|0,0,0]=2 1712 B9R1.21 CCN1CC[C@H](C1)C#N 9a1174fbef193a6dbf202586e578abc2 [0,1,0,1,0,0|1,0,0]=3 1713 B9R1.21 CCN1CC[C@H](C1)CO 39703f8defd6e5d4b86cb99cb799f45b [0,1,0,1,0,0|0,0,0]=2 1714 B9R1.21 CCN1CC[C@H](C1)OC 873cff4fa445ed81c1c2131adfff35a2 [0,1,0,1,0,0|0,0,0]=2 1715 B9R1.21 COC1CCN(C1)C=O eb1635d26f811d0395c1eac377e68acf [0,1,0,1,0,0|1,0,1]=4 1716 B9R1.21 COC1CCN(C1)CF 6d06b9d4dfb47f8e716bb05391921992 [0,1,0,1,0,0|1,0,0]=3 1717 B9R1.21 COC1CCN(C1)CO 6529e062e28b0798a0ab1961a6ca1def [0,1,0,1,0,0|1,0,0]=3 1718 B9R1.21 CO[C@@H]1CCN(C1)C=O baabae39a3b9d32bd95572af9b467d63 [0,1,0,1,0,0|1,0,1]=4 1719 B9R1.21 CO[C@@H]1CCN(C1)CF 277bcd22ce899bbc7a504c8e39ea9d5d [0,1,0,1,0,0|1,0,0]=3 1720 B9R1.21 CO[C@@H]1CCN(C1)CO b35be2e83af4ba0bae672e315579166d [0,1,0,1,0,0|1,0,0]=3 1721 B9R1.21 CO[C@H]1CCN(C1)C=O 1345142eebbefb838f95222c23ecea5c [0,1,0,1,0,0|1,0,1]=4 1722 B9R1.21 CO[C@H]1CCN(C1)CF b66bffcd74341dd5289aa190d3a072d6 [0,1,0,1,0,0|1,0,0]=3 1723 B9R1.21 CO[C@H]1CCN(C1)CO 70f605d10de00188ca1bdfb166b09369 [0,1,0,1,0,0|1,0,0]=3 1724 B9R1.21 N#CC1CCN(C1)CF a110018a5eeafedba8c6889da5ba9ee6 [0,1,0,1,0,0|2,0,0]=4 1725 B9R1.21 N#CC1CCN(C1)CO 747b8632b51f81d4262238d506a62f50 [0,1,0,1,0,0|2,0,0]=4 1726 B9R1.21 N#C[C@@H]1CCN(C1)CF 7da61bab230d2daf97cb442a05b8d83b [0,1,0,1,0,0|2,0,0]=4 1727 B9R1.21 N#C[C@@H]1CCN(C1)CO 4c24b9d9d2cbb4011c743a9fb42fce59 [0,1,0,1,0,0|2,0,0]=4 1728 B9R1.21 N#C[C@H]1CCN(C1)CF d684c3d66f6a4a749c22463ae279cbd8 [0,1,0,1,0,0|2,0,0]=4 1729 B9R1.21 N#C[C@H]1CCN(C1)CO 798c54f65f47a4d6b76c89f321fef2dd [0,1,0,1,0,0|2,0,0]=4 1730 B9R1.21 O=CN1CCC(C1)CO 2a5ff912131a40733d604404f5dbc6a9 [0,1,0,1,0,0|1,0,1]=4 1731 B9R1.21 O=CN1CC[C@@H](C1)CO 1b5e86f32647c6df6e45e506df19b6c8 [0,1,0,1,0,0|1,0,1]=4 1732 B9R1.21 O=CN1CC[C@H](C1)CO c9a78c1ce4394e71f3a66edb1c5981a4 [0,1,0,1,0,0|1,0,1]=4 1733 B9R1.21 OCC1CCN(C1)CF 341149c8c610dbf38967362ff7c29435 [0,1,0,1,0,0|1,0,0]=3 1734 B9R1.21 OCC1CCN(C1)CO 383f56fbf7dd540aff7fc060f4a7e063 [0,1,0,1,0,0|1,0,0]=3 1735 B9R1.21 OC[C@@H]1CCN(C1)CF 5a23e0c557badacb6d744c9659a8cf20 [0,1,0,1,0,0|1,0,0]=3 1736 B9R1.21 OC[C@@H]1CCN(C1)CO 68171a95ba6c7aca0a4de707d895832b [0,1,0,1,0,0|1,0,0]=3 1737 B9R1.21 OC[C@H]1CCN(C1)CF 774827fb3a9d89fec3e258111b2ee076 [0,1,0,1,0,0|1,0,0]=3 1738 B9R1.21 OC[C@H]1CCN(C1)CO d11ffb3d9954be2c34c155785484db89 [0,1,0,1,0,0|1,0,0]=3 1739 B9R1.39 CC1OCC1NCCO 4aa8acd1f5a96c4f47962ac8d8f70c54 [0,1,0,1,0,0|2,0,0]=4 1740 B9R1.39 CCCN[C@@H]1CC[C@H]1C c8f45cad8802a2551c2c9ee0cd091dea [0,1,0,1,0,0|2,0,0]=4 1741 B9R1.39 CCCN[C@H]1CC[C@H]1C b137abb955ecbcaefca08fee2aa51b9c [0,1,0,1,0,0|2,0,0]=4 1742 B9R1.39 CN1CCC1CNCO fe45827ec2dbc7564b909ee07df37b27 [0,1,0,1,0,0|2,0,0]=4 1743 B9R1.39 COCN[C@@H]1CC[C@H]1C 19c0fb2707947723e432ccb381787aa0 [0,1,0,1,0,0|2,0,0]=4 1744 B9R1.39 COCN[C@H]1CC[C@H]1C 0394228cbdba638b6cc7da58290fdd36 [0,1,0,1,0,0|2,0,0]=4 1745 B9R1.39 C[C@@H]1CC[C@@H]1NCCF 89fd5c2dffe3216934be01f30e9cbd16 [0,1,0,1,0,0|2,0,0]=4 1746 B9R1.39 C[C@@H]1CC[C@@H]1NCCO 06a8fabda842982d62baff95336c3842 [0,1,0,1,0,0|1,0,0]=3 1747 B9R1.39 C[C@@H]1CC[C@@H]1NCCS 1f79c57ecea77ce9c2581decfa360554 [0,1,0,1,0,0|1,1,0]=4 1748 B9R1.39 C[C@@H]1CC[C@H]1NCCF 69326010ef1b670c9f088649c128218a [0,1,0,1,0,0|2,0,0]=4 1749 B9R1.39 C[C@@H]1CC[C@H]1NCCO 20e40c68c6c9e73ece74b6b077aa5521 [0,1,0,1,0,0|1,0,0]=3 1750 B9R1.39 C[C@@H]1CC[C@H]1NCCS 6c9d62403e05614cf2b1aeb4423229f7 [0,1,0,1,0,0|1,1,0]=4 1751 B9R1.39 OCCNC1CCC1F ef06149c6bbe49bc6fc3390a2f2acf12 [0,1,0,1,0,0|2,0,0]=4 1752 B9R1.39 OCCNC1CCC1O 171c95f3412ea60ccaf22eed8177bf34 [0,1,0,1,0,0|2,0,0]=4 1753 B9R1.39 OCCN[C@@H]1CC[C@@H]1O 985eb6382f4df76927e9c4eb391fd2d0 [0,1,0,1,0,0|2,0,0]=4 1754 B9R1.39 OCCN[C@@H]1CC[C@H]1O fb0900c43eb98dcc659645e6b8587e0c [0,1,0,1,0,0|2,0,0]=4 1755 B9R1.39 OCCN[C@H]1CC[C@@H]1O 4c137233e7db24d264fe06726e36b1f4 [0,1,0,1,0,0|2,0,0]=4 1756 B9R1.39 OCCN[C@H]1CC[C@H]1O a024b9cf917224da23bfdb9e5cb134f8 [0,1,0,1,0,0|2,0,0]=4 1757 B9R1.70 CCC(CC)N1CCC1 1debd90e5a5613d87a2e8d6bf271d4cf [0,1,0,1,0,0|2,0,0]=4 1758 B9R1.70 CCN(C=O)C1COC1 6dac9f769eb0fcbcc57047775f3cc5b9 [0,1,0,1,0,0|1,0,1]=4 1759 B9R1.70 CCN(CC)C1CCC1 d72eb051481d50190393deea843720d9 [0,1,0,1,0,0|1,0,0]=3 1760 B9R1.70 CCN(CC)C1COC1 409556a77475a170688b73ae8a6f73c7 [0,1,0,1,0,0|0,0,0]=2 1761 B9R1.70 CCN(CC)C1CSC1 58938318e21298c3356d39a5c54db29c [0,1,0,1,0,0|0,1,0]=3 1762 B9R1.70 CCN(CF)C1CCC1 a00440d68c5e6bae17a3d33e1591009e [0,1,0,1,0,0|2,0,0]=4 1763 B9R1.70 CCN(CF)C1COC1 a390a3fbb2d0a4fc105bc7418ef3abab [0,1,0,1,0,0|1,0,0]=3 1764 B9R1.70 CCN(CF)C1CSC1 42f9bd92c0854bb83bb562446fc06cba [0,1,0,1,0,0|1,1,0]=4 1765 B9R1.70 CCN(CO)C1CCC1 c7e9ebfb5997f1facf4bd5003b6a9273 [0,1,0,1,0,0|2,0,0]=4 1766 B9R1.70 CCN(CO)C1COC1 84da2937f600186244ebc500f67174e9 [0,1,0,1,0,0|1,0,0]=3 1767 B9R1.70 CCN(CO)C1CSC1 9e1e744fb1aa20149a5b41da90b598eb [0,1,0,1,0,0|1,1,0]=4 1768 B9R1.72 CCC(CC)NC1CC1 ee3c2cd766ca394b4a46c38171ae2be1 [0,1,0,1,0,0|2,0,0]=4 1769 B9R1.72 CCC(CC)OC1CC1 a341fdfb62c0a1b3f64c418e98c9c5f7 [0,1,0,1,0,0|2,0,0]=4 1770 B9R1.72 CCN(CC)CC1CC1 37ade122d0cf4519a6bc38422d27b233 [0,1,0,1,0,0|1,0,0]=3 1771 B9R1.72 CCN(CF)CC1CC1 bcedc6f863d5d62a296adecc7c542acd [0,1,0,1,0,0|2,0,0]=4 1772 B9R1.72 CCN(CO)CC1CC1 7307d689a019952094f6831b269f12b8 [0,1,0,1,0,0|2,0,0]=4 1773 B9R1.89 CCN1CCCCCC1 78f85fed93dd7010f5d48b439304c97c [0,1,0,1,0,0|1,0,0]=3 1774 B9R1.89 CCN1CCCOCC1 b7637df7a376a0cc2a30d3c23838f678 [0,1,0,1,0,0|0,0,0]=2 1775 B9R1.89 FCN1CCCCCC1 60c0199684985ea88d82a5db0516e27d [0,1,0,1,0,0|2,0,0]=4 1776 B9R1.89 FCN1CCCOCC1 3c5ee395d952c7c8bca3f2bab6d60603 [0,1,0,1,0,0|1,0,0]=3 1777 B9R1.89 O=CN1CCCOCC1 ac69421f50e86b391ee77e2bd7abf564 [0,1,0,1,0,0|1,0,1]=4 1778 B9R1.89 OCN1CCCCCC1 62c49bb1745f5c0f3dee14a3d4e5f5d5 [0,1,0,1,0,0|2,0,0]=4 1779 B9R1.89 OCN1CCCOCC1 e5da19333e435076222444f0fc992871 [0,1,0,1,0,0|1,0,0]=3 1780 B9R1.132 CC1C(CCN1C=O)O 6224b15dc429c09dff767b50cb0be4d8 [0,1,0,1,0,0|1,0,1]=4 1781 B9R1.132 CC1C(CCN1CF)O c201845080ca9de97ee36e1bfcb1f78f [0,1,0,1,0,0|1,0,0]=3 1782 B9R1.132 CC1C(CCN1CO)O 15154e81a6544fa7799f1dc766998bfb [0,1,0,1,0,0|1,0,0]=3 1783 B9R1.132 CCN1CCC(C1C)O 5df9989e2977cf675c27c93487f16e6a [0,1,0,1,0,0|0,0,0]=2 1784 B9R1.132 CCN1CC[C@@H]([C@@H]1C)O 0915ab6dc39d881d8d1d32d4f65e7edb [0,1,0,1,0,0|0,0,0]=2 1785 B9R1.132 CCN1CC[C@H]([C@H]1C)O a9f549cdc7fcccd60d8aa8e684a054d4 [0,1,0,1,0,0|0,0,0]=2 1786 B9R1.132 C[C@@H]1[C@@H](CCN1C=O)O 3c7246ef7fbf0f5b38ead5c398cfb526 [0,1,0,1,0,0|1,0,1]=4 1787 B9R1.132 C[C@@H]1[C@@H](CCN1CF)O 9759e6303a18ff48b1311027f46d5a61 [0,1,0,1,0,0|1,0,0]=3 1788 B9R1.132 C[C@@H]1[C@@H](CCN1CO)O c073ad0368ee13c008baefdc4b9118fa [0,1,0,1,0,0|1,0,0]=3 1789 B9R1.132 C[C@H]1[C@H](CCN1C=O)O d9842832849031601c0df07d9d01d0a4 [0,1,0,1,0,0|1,0,1]=4 1790 B9R1.132 C[C@H]1[C@H](CCN1CF)O 58984732783ece480a2262ece835d53b [0,1,0,1,0,0|1,0,0]=3 1791 B9R1.132 C[C@H]1[C@H](CCN1CO)O 6569fa22652ee461ef908d3964163e1a [0,1,0,1,0,0|1,0,0]=3 1792 B9R1.193 CCC1(CC1)COCF ce0cd06defecea2baa70e4919a987d9c [0,1,0,1,0,0|2,0,0]=4 1793 B9R1.193 CCOCC1(CC1)CC fd5e1b19293c92295adfcb600bad2a4d [0,1,0,1,0,0|2,0,0]=4 1794 B9R1.193 OCCNC1(CC1)CO c38418489a4973bd8c2ab9f88019bbdf [0,1,0,1,0,0|2,0,0]=4 1795 B9R1.193 OCNCC1(CC1)CO 901e50c544af34e46b8b5a876fd2b0f1 [0,1,0,1,0,0|2,0,0]=4 1796 B9R1.6 CC(=O)N1CCOCC1 b274306c5ecbdaabc7e8d85c11df9df8 [0,1,0,1,0,0|0,0,1]=3 1797 B9R1.6 CC(=O)N1CCSCC1 a2a73cc62f318cd0138a717f4c94c193 [0,1,0,1,0,0|0,1,1]=4 1798 B9R1.6 CC(C)N1CC=CCC1 98a5da3bdbbbea4b41808df07c9be627 [0,1,0,1,0,0|1,0,1]=4 1799 B9R1.6 CC(C)N1CCCOC1 d8a29a25a4bc244ca393574be7e71b03 [0,1,0,1,0,0|2,0,0]=4 1800 B9R1.6 CC(C)N1CCCSC1 2ccd25cd2ad5d032c2df802716593e84 [0,1,0,1,0,0|2,0,0]=4 1801 B9R1.6 CC(C)N1CCOCC1 3b344544643985593770fa51b9a98779 [0,1,0,1,0,0|0,0,0]=2 1802 B9R1.6 CC(C)N1CCSCC1 f43dbb105a1a283a88878b9fec74ebe7 [0,1,0,1,0,0|0,1,0]=3 1803 B9R1.22 CCN1C[C@@H](C[C@@H]1C)F 2f272957f93ca65e74ba201225ca8341 [0,1,0,1,0,0|1,0,0]=3 1804 B9R1.22 CCN1C[C@@H](C[C@@H]1C)O 70f763f5b4a3235d3e4f2d196f00ccfe [0,1,0,1,0,0|0,0,0]=2 1805 B9R1.22 CCN1C[C@@H](C[C@H]1C)F fc839872052aa3b4869ec105605f9120 [0,1,0,1,0,0|1,0,0]=3 1806 B9R1.22 CCN1C[C@@H](C[C@H]1C)O c4bd7f96b36acd5e820f06999a11cb79 [0,1,0,1,0,0|0,0,0]=2 1807 B9R1.22 CCN1C[C@H](C[C@@H]1C)F 174d9175aced951be988811649c138dc [0,1,0,1,0,0|1,0,0]=3 1808 B9R1.22 CCN1C[C@H](C[C@@H]1C)O aee11579e502fc16ec25d9210de9b942 [0,1,0,1,0,0|0,0,0]=2 1809 B9R1.22 CCN1C[C@H](C[C@H]1C)F facd70315e57bdcc931941af4932ffb4 [0,1,0,1,0,0|1,0,0]=3 1810 B9R1.22 CCN1C[C@H](C[C@H]1C)O ee2c873963ad0fba0e4d24d3860f441c [0,1,0,1,0,0|0,0,0]=2 1811 B9R1.22 C[C@@H]1C[C@@H](CN1C=O)O b40143ee8e48cfd770829911a8b46f8d [0,1,0,1,0,0|1,0,1]=4 1812 B9R1.22 C[C@@H]1C[C@@H](CN1CF)F 98b30613764c0174fe8c1b73829d9e07 [0,1,0,1,0,0|2,0,0]=4 1813 B9R1.22 C[C@@H]1C[C@@H](CN1CF)O 5aa4647f79510438cc356b85a8927d95 [0,1,0,1,0,0|1,0,0]=3 1814 B9R1.22 C[C@@H]1C[C@@H](CN1CO)F 2c8b515ff44f5c5c63055e34a1f8609f [0,1,0,1,0,0|2,0,0]=4 1815 B9R1.22 C[C@@H]1C[C@@H](CN1CO)O e681859416444f5311a26d779e190cc2 [0,1,0,1,0,0|1,0,0]=3 1816 B9R1.22 C[C@@H]1C[C@H](CN1C=O)O 60eb22575469d8871df9978a112b8c6d [0,1,0,1,0,0|1,0,1]=4 1817 B9R1.22 C[C@@H]1C[C@H](CN1CF)F 8e41e4b277526b588d019b2dbe554803 [0,1,0,1,0,0|2,0,0]=4 1818 B9R1.22 C[C@@H]1C[C@H](CN1CF)O bb193f946ca6949676557ad5eaa261c8 [0,1,0,1,0,0|1,0,0]=3 1819 B9R1.22 C[C@@H]1C[C@H](CN1CO)F 1c64d0b870f76397fa50d505a2bc861f [0,1,0,1,0,0|2,0,0]=4 1820 B9R1.22 C[C@@H]1C[C@H](CN1CO)O c76fd2917ab6047f8b2c4ab5e4bce2f3 [0,1,0,1,0,0|1,0,0]=3 1821 B9R1.22 C[C@H]1C[C@@H](CN1C=O)O 8702060aeac9a43f04a897de18943e9e [0,1,0,1,0,0|1,0,1]=4 1822 B9R1.22 C[C@H]1C[C@@H](CN1CF)F b84fa73620bdb6510bba86d1fe429acd [0,1,0,1,0,0|2,0,0]=4 1823 B9R1.22 C[C@H]1C[C@@H](CN1CF)O 66b18375fd2caba19288108caf366499 [0,1,0,1,0,0|1,0,0]=3 1824 B9R1.22 C[C@H]1C[C@@H](CN1CO)F 3a154b5e627f8e6487529c8ab60ab139 [0,1,0,1,0,0|2,0,0]=4 1825 B9R1.22 C[C@H]1C[C@@H](CN1CO)O c1b5714343d20e0528e697cbb2f02dc7 [0,1,0,1,0,0|1,0,0]=3 1826 B9R1.22 C[C@H]1C[C@H](CN1C=O)O 3eb89d72ebff7a41331c4a59767af0a4 [0,1,0,1,0,0|1,0,1]=4 1827 B9R1.22 C[C@H]1C[C@H](CN1CF)F e2ef029776fb6a23b93884c0e1f54c61 [0,1,0,1,0,0|2,0,0]=4 1828 B9R1.22 C[C@H]1C[C@H](CN1CF)O 11244541a92c74c157cdaae11d5a9d52 [0,1,0,1,0,0|1,0,0]=3 1829 B9R1.22 C[C@H]1C[C@H](CN1CO)F d737282e7d5b055adbcb87d6b9db4851 [0,1,0,1,0,0|2,0,0]=4 1830 B9R1.22 C[C@H]1C[C@H](CN1CO)O aa23096331bc53ab0f7e8f1e372d6486 [0,1,0,1,0,0|1,0,0]=3 1831 B9R1.24 CC1(CCCN1CF)C 375a72cc664c91dd789cdc4f30b7bae6 [0,1,0,1,0,0|2,0,0]=4 1832 B9R1.24 CC1(CCCN1CO)C f0feaaffe324cc9aa0becdf4742793cf [0,1,0,1,0,0|2,0,0]=4 1833 B9R1.24 CC1(OCCN1C=O)C 3ecb6c4b73b93c283ed9aa2c0ba5042d [0,1,0,1,0,0|1,0,1]=4 1834 B9R1.24 CC1(OCCN1CF)C a96dff071e862f641074610f0777297f [0,1,0,1,0,0|1,0,0]=3 1835 B9R1.24 CC1(OCCN1CO)C 62f06885b291375dc111686a10532502 [0,1,0,1,0,0|1,0,0]=3 1836 B9R1.24 CC1(SCCN1CF)C 615dbe0a0fc4d4a70c90c6043c14ddae [0,1,0,1,0,0|1,1,0]=4 1837 B9R1.24 CC1(SCCN1CO)C 6c74947fa7dc3423b711cf448925669b [0,1,0,1,0,0|1,1,0]=4 1838 B9R1.24 CCN1CCCC1(C)C 4a96c79eec924ede45a2cbe74efec3a1 [0,1,0,1,0,0|1,0,0]=3 1839 B9R1.24 CCN1CCOC1(C)C 1d983d19a10838ec18c0279eab124551 [0,1,0,1,0,0|0,0,0]=2 1840 B9R1.24 CCN1CCSC1(C)C 87eb461f23fce26b419cdb49e32c4ee0 [0,1,0,1,0,0|0,1,0]=3 1841 B9R1.24 CCN1COCC1(C)C e00eaaf7a2283a2313de292cb1d59877 [0,1,0,1,0,0|2,0,0]=4 1842 B9R1.33 C#CCN1CCCC1C 655f0a24847bfe5c6b426d84df6ec10a [0,1,0,1,0,0|1,0,1]=4 1843 B9R1.33 C#CCN1CCCC1O 19b5267cac442482268d5b2bb0d46a1f [0,1,0,1,0,0|1,0,1]=4 1844 B9R1.33 C#CCN1CCC[C@@H]1C bd46a0e0229938c62bbfb7815962794f [0,1,0,1,0,0|1,0,1]=4 1845 B9R1.33 C#CCN1CCC[C@H]1C f73961c44a2ee46a8c5e33d9ef637f71 [0,1,0,1,0,0|1,0,1]=4 1846 B9R1.33 C#CCN1CCSC1C b2b290f85c853cbc552e055ada27404d [0,1,0,1,0,0|0,1,1]=4 1847 B9R1.33 C=CCN1CCCC1C 23b9d7c6e1c51172c4b7f3c143a21823 [0,1,0,1,0,0|1,0,1]=4 1848 B9R1.33 C=CCN1CCCC1O 66da8a7311a51194eaf5813c81bf1c63 [0,1,0,1,0,0|1,0,1]=4 1849 B9R1.33 C=CCN1CCC[C@@H]1C 4e286cb09daddaed56ef6d50629bb6c7 [0,1,0,1,0,0|1,0,1]=4 1850 B9R1.33 C=CCN1CCC[C@H]1C d7485f6c33d5bda25c408090ba454490 [0,1,0,1,0,0|1,0,1]=4 1851 B9R1.33 C=CCN1CCSC1C ab5b956375ed6e66b4620a451e3a8a83 [0,1,0,1,0,0|0,1,1]=4 1852 B9R1.33 CC1CCCN1CC#N bb3cbe955dda8a3ef356c36ce3fb229b [0,1,0,1,0,0|1,0,1]=4 1853 B9R1.33 CC1CCCN1CC=O 27928a5411863f8bf406ba8c60b72aa7 [0,1,0,1,0,0|0,0,2]=4 1854 B9R1.33 CC1CCCN1CCF 12b7237d6e74f93a90a7f00fa20599b9 [0,1,0,1,0,0|1,0,0]=3 1855 B9R1.33 CC1CCCN1CCO 281a8d841757602b2230f2ac436bc7ad [0,1,0,1,0,0|0,0,0]=2 1856 B9R1.33 CC1CCCN1CCS 55ded26cf38de8946ab4d87fc8bafa09 [0,1,0,1,0,0|0,1,0]=3 1857 B9R1.33 CC1SCCN1CC#N 5af70e68b54be23241b09cdcf76ef60c [0,1,0,1,0,0|0,1,1]=4 1858 B9R1.33 CC1SCCN1CC=O e074df1e5165ebc9fde046428f7d1e09 [0,1,0,1,0,0|0,0,2]=4 1859 B9R1.33 CC1SCCN1CCF 97a770abd78f2932fd867e97fcccbe4c [0,1,0,1,0,0|0,1,0]=3 1860 B9R1.33 CC1SCCN1CCO fa892f5f296f70ac492ea8141f9c901c [0,1,0,1,0,0|0,0,0]=2 1861 B9R1.33 CC1SCCN1CCS 8a3e18a04342e97ed8fdc11aa98e92ac [0,1,0,1,0,0|0,1,0]=3 1862 B9R1.33 CCCN1CCCC1C 195e50180963f808391ad382056319a1 [0,1,0,1,0,0|1,0,0]=3 1863 B9R1.33 CCCN1CCCC1O 896bbb6e21363ca7dd9cc7555c30bb4b [0,1,0,1,0,0|1,0,0]=3 1864 B9R1.33 CCCN1CCC[C@@H]1C b67a37eaaf46cb0a5ebdfee423e623bf [0,1,0,1,0,0|1,0,0]=3 1865 B9R1.33 CCCN1CCC[C@H]1C 560044d8f08030c58863ec3801769700 [0,1,0,1,0,0|1,0,0]=3 1866 B9R1.33 CCCN1CCSC1C ea064f2ba27cdd3274749fb2bad6042a [0,1,0,1,0,0|0,1,0]=3 1867 B9R1.33 CCOC1CCCC1C e450d37d5269371ee21c4d9099cf78f8 [0,1,0,1,0,0|2,0,0]=4 1868 B9R1.33 CCO[C@@H]1CCC[C@@H]1C 48c6c8a377684215533cce2f3b7a040e [0,1,0,1,0,0|2,0,0]=4 1869 B9R1.33 CCO[C@@H]1CCC[C@H]1C 8546dfd57bc5bf5d07eccd29f6ea3a23 [0,1,0,1,0,0|2,0,0]=4 1870 B9R1.33 CCO[C@H]1CCC[C@@H]1C 572fc68e8a7c8a7220d19d5da78e401e [0,1,0,1,0,0|2,0,0]=4 1871 B9R1.33 CCO[C@H]1CCC[C@H]1C 292472170f80aa7cd37f5df4f5f5c571 [0,1,0,1,0,0|2,0,0]=4 1872 B9R1.33 COCN1CCCC1C 2e2fa9caa80c65622db57e92a91185ed [0,1,0,1,0,0|1,0,0]=3 1873 B9R1.33 COCN1CCCC1O 8b98ba1cb4ce15abcde5fe57fcac32a2 [0,1,0,1,0,0|2,0,0]=4 1874 B9R1.33 COCN1CCC[C@@H]1C 67a823fd66504e3cca4e93ae80ae1760 [0,1,0,1,0,0|1,0,0]=3 1875 B9R1.33 COCN1CCC[C@H]1C b841d9c1194ced1813dd800d8e308d6a [0,1,0,1,0,0|1,0,0]=3 1876 B9R1.33 COCN1CCSC1C d47eb5a65cd011871d3884fb15168de0 [0,1,0,1,0,0|0,1,0]=3 1877 B9R1.33 CSCN1CCCC1C 9773c61a0fdf8f7356d24b34ba0aeb2f [0,1,0,1,0,0|1,0,0]=3 1878 B9R1.33 CSCN1CCCC1O 815195a55b563b786369c78b0e58b3f9 [0,1,0,1,0,0|2,0,0]=4 1879 B9R1.33 CSCN1CCC[C@@H]1C 28cecc7f12df04770f70483f402bcb1f [0,1,0,1,0,0|1,0,0]=3 1880 B9R1.33 CSCN1CCC[C@H]1C 603856325cce78a66ae27a8db55af2c1 [0,1,0,1,0,0|1,0,0]=3 1881 B9R1.33 CSCN1CCSC1C 6333dd9d1e6f0f0f185b5cdcb5d93a4a [0,1,0,1,0,0|0,1,0]=3 1882 B9R1.33 C[C@@H]1CCCN1CC#N f1bc1c6d9ba0d662c0e5e54ef81839b6 [0,1,0,1,0,0|1,0,1]=4 1883 B9R1.33 C[C@@H]1CCCN1CC=O 628393964742a01eee790b1703c7f48c [0,1,0,1,0,0|0,0,2]=4 1884 B9R1.33 C[C@@H]1CCCN1CCF ba343820014f9fee9c4f8a1673d15691 [0,1,0,1,0,0|1,0,0]=3 1885 B9R1.33 C[C@@H]1CCCN1CCO 09597fc03649e0133d260389224063ff [0,1,0,1,0,0|0,0,0]=2 1886 B9R1.33 C[C@@H]1CCCN1CCS 5f95e783328a7d9dfc390e65d01eaf3a [0,1,0,1,0,0|0,1,0]=3 1887 B9R1.33 C[C@H]1CCCN1CC#N 2fc53d7a14da0f5f66e9322f5b8fded5 [0,1,0,1,0,0|1,0,1]=4 1888 B9R1.33 C[C@H]1CCCN1CC=O 7489760bd07ab3dac73fc24ef598634e [0,1,0,1,0,0|0,0,2]=4 1889 B9R1.33 C[C@H]1CCCN1CCF d6e2f6e32e09d6c9d06146a526765e88 [0,1,0,1,0,0|1,0,0]=3 1890 B9R1.33 C[C@H]1CCCN1CCO d9a463a7c3fe8fd3082bc4ccbe366d3c [0,1,0,1,0,0|0,0,0]=2 1891 B9R1.33 C[C@H]1CCCN1CCS a6d3a1e77e4d3a5efdec971b928d388b [0,1,0,1,0,0|0,1,0]=3 1892 B9R1.33 N#CCN1CCCC1O d5b638a13e10924382d2be593ee96a34 [0,1,0,1,0,0|1,0,1]=4 1893 B9R1.33 O=CCN1CCCC1O 01cd7a46a4aeeeea309967ac9e52751a [0,1,0,1,0,0|0,0,2]=4 1894 B9R1.33 OC1CCCN1CCF 5908042fb0d483870c7c6d7b0ef663ea [0,1,0,1,0,0|1,0,0]=3 1895 B9R1.33 OC1CCCN1CCS c6710ff513719fa5686638f019381e34 [0,1,0,1,0,0|0,1,0]=3 1896 B9R1.33 OCCN1CCCC1O 8d56158ce663c0576a5663e88c47e79c [0,1,0,1,0,0|0,0,0]=2 1897 B9R1.33 OCNC1CCCC1O 7504b55c63b2fded4732a3e525fa7550 [0,1,0,1,0,0|2,0,0]=4 1898 B9R1.33 OCN[C@@H]1CCC[C@@H]1O db0b2a8bb88414a9efeae3f1fe464a37 [0,1,0,1,0,0|2,0,0]=4 1899 B9R1.33 OCN[C@@H]1CCC[C@H]1O 3709505f378a4d89dcefcb134f3568a6 [0,1,0,1,0,0|2,0,0]=4 1900 B9R1.33 OCN[C@H]1CCC[C@@H]1O f4671b0cdea026985ec9dbaf9c63923d [0,1,0,1,0,0|2,0,0]=4 1901 B9R1.33 OCN[C@H]1CCC[C@H]1O 23c425820a699b39047be4411da6db39 [0,1,0,1,0,0|2,0,0]=4 1902 B9R1.35 CC(=O)N1CCC(C1)C 62fae45163ab5fc8df8ad46633eee0ac [0,1,0,1,0,0|1,0,1]=4 1903 B9R1.35 CC(=O)N1CCC(C1)F a6d7f64dfc4ae3923d1e882541a80fe0 [0,1,0,1,0,0|1,0,1]=4 1904 B9R1.35 CC(=O)N1CCC(C1)O d6f7e3e992ee3d9bc88f42beae2651f4 [0,1,0,1,0,0|0,0,1]=3 1905 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1016d6a16006ef8ebfa1a324326808d5 [0,1,0,1,0,0|1,0,1]=4 1906 B9R1.35 CC(=O)N1CC[C@@H](C1)O eba103538f34c1984ba106a2ce04ce40 [0,1,0,1,0,0|0,0,1]=3 1907 B9R1.35 CC(=O)N1CC[C@H](C1)F 286010f93b872d924c1e32cdd70d17f3 [0,1,0,1,0,0|1,0,1]=4 1908 B9R1.35 CC(=O)N1CC[C@H](C1)O a7a4738d457ef17a95fd7f51dd477d8d [0,1,0,1,0,0|0,0,1]=3 1909 B9R1.35 CC(C)N1CCC(C1)F 6c68b9f8d036dd199f32d65db8457808 [0,1,0,1,0,0|1,0,0]=3 1910 B9R1.35 CC(C)N1CCC(C1)O 21f8c031d2f6a927dbb6c9a27ee4e7ab [0,1,0,1,0,0|0,0,0]=2 1911 B9R1.35 CC(C)N1CCN(C1)C 894a9d9536a3e30cc0cf617a78518cc2 [0,1,0,1,0,0|2,0,0]=4 1912 B9R1.35 CC(C)N1CC[C@@H](C1)F eab8ab63b734d2fb61eb3274518f686f [0,1,0,1,0,0|1,0,0]=3 1913 B9R1.35 CC(C)N1CC[C@@H](C1)O 531534c6fa2806f931b93c252de986ae [0,1,0,1,0,0|0,0,0]=2 1914 B9R1.35 CC(C)N1CC[C@H](C1)F 07062372f5a1608c1d5d4a3461330005 [0,1,0,1,0,0|1,0,0]=3 1915 B9R1.35 CC(C)N1CC[C@H](C1)O 2a1cf7d77e1814b9658acde1b597f781 [0,1,0,1,0,0|0,0,0]=2 1916 B9R1.35 CC1CCN(C1)C(C)C 2d04fd2bf4e90ea40be8ca6aec36e0f1 [0,1,0,1,0,0|1,0,0]=3 1917 B9R1.41 CC(=O)N1CCCC1C f3ed72e102a18b3ca7365fff10aeb6f8 [0,1,0,1,0,0|1,0,1]=4 1918 B9R1.41 CC(=O)N1CCC[C@@H]1C 45c9778b44581f9933633398df3c02d2 [0,1,0,1,0,0|1,0,1]=4 1919 B9R1.41 CC(=O)N1CCC[C@H]1C 77e41bde24aa3c51a340cfebe6f455b1 [0,1,0,1,0,0|1,0,1]=4 1920 B9R1.41 CC(=O)N1CCSC1C 13a90b79e1eaed8ff645ef446550c0e3 [0,1,0,1,0,0|0,1,1]=4 1921 B9R1.41 CC(C)N1CCCC1C 537cf817e9d3dbf7f58e1c5af7231e2e [0,1,0,1,0,0|1,0,0]=3 1922 B9R1.41 CC(C)N1CCCC1O 6f80a1c609c870584ffddcbaaad3ac7b [0,1,0,1,0,0|2,0,0]=4 1923 B9R1.41 CC(C)N1CCC[C@@H]1C 4976fffa125619fdc7627e9cab0a1650 [0,1,0,1,0,0|1,0,0]=3 1924 B9R1.41 CC(C)N1CCC[C@H]1C a83c91788ff696be69cccc267f06e2d4 [0,1,0,1,0,0|1,0,0]=3 1925 B9R1.41 CC(C)N1CCSC1C ac41a3c8e8d09a89df84bf48b85619ae [0,1,0,1,0,0|0,1,0]=3 1926 B9R1.43 C#CCN(CC)C1CC1 dabd49ad2bcb4e7d8d6ebeb1e3dfa83f [0,1,0,1,0,0|1,0,1]=4 1927 B9R1.43 C=CCN(CC)C1CC1 308f8201486c6888e8e4644c5320e890 [0,1,0,1,0,0|1,0,1]=4 1928 B9R1.43 CCC(NCO)C1CC1 d5c952a3d95960c6d751105df85643ff [0,1,0,1,0,0|2,0,0]=4 1929 B9R1.43 CCCN(CC)C1CC1 91e9d307a5b8b23d6556477e7bbb4f86 [0,1,0,1,0,0|1,0,0]=3 1930 B9R1.43 CCCN(CF)C1CC1 a7b384cf8cbf36bec0b946ee585cd1da [0,1,0,1,0,0|2,0,0]=4 1931 B9R1.43 CCCN(CO)C1CC1 2410ddd485338e1f7b9d50f025cbff1c [0,1,0,1,0,0|2,0,0]=4 1932 B9R1.43 CCN(CC#N)C1CC1 00150d61709100726894436911a09592 [0,1,0,1,0,0|1,0,1]=4 1933 B9R1.43 CCN(CC=O)C1CC1 ce70e3243ed3b268f1fcde1f3305661c [0,1,0,1,0,0|0,0,2]=4 1934 B9R1.43 CCN(CCCl)C1CC1 c868f99f7266aae6e11afc32d69848c1 [0,1,0,1,0,0|1,0,0]=3 1935 B9R1.43 CCN(CCF)C1CC1 d5a0789c6891eebb02491342cf0ac7c1 [0,1,0,1,0,0|1,0,0]=3 1936 B9R1.43 CCN(CCO)C1CC1 e5e1c0b42506bf3d0379641632976c1e [0,1,0,1,0,0|0,0,0]=2 1937 B9R1.43 CCN(CCS)C1CC1 cd2a94272b94488f61f3a4489725cd60 [0,1,0,1,0,0|0,1,0]=3 1938 B9R1.43 CCN(COC)C1CC1 3b42a4a0b5b54b55b84f730929b62c1f [0,1,0,1,0,0|1,0,0]=3 1939 B9R1.43 CCN(CSC)C1CC1 968b0a7d7876004e09df098273cf5862 [0,1,0,1,0,0|1,0,0]=3 1940 B9R1.43 CCNC(CC)C1CC1 e17f165f55724069623c52563ff238e7 [0,1,0,1,0,0|2,0,0]=4 1941 B9R1.43 CCOC(CC)C1CC1 15ad00b2d460aeaaf95244223bb6dfbf [0,1,0,1,0,0|2,0,0]=4 1942 B9R1.43 O=CN(CCO)C1CC1 caa97e9c963495646137e1a61be1da20 [0,1,0,1,0,0|1,0,1]=4 1943 B9R1.43 OCCN(CF)C1CC1 6c770aecc2d647bd70d7a57fab982ffc [0,1,0,1,0,0|1,0,0]=3 1944 B9R1.43 OCCN(CO)C1CC1 d1a7b92fb5fe5e811d2fafab486e0a3f [0,1,0,1,0,0|1,0,0]=3 1945 B9R1.96 CC(=O)N1CCC1CO 4d698f746732a35d30d4a2a283dfba7a [0,1,0,1,0,0|0,0,1]=3 1946 B9R1.96 CC(=O)N1CC[C@@H]1CO 03a3cbc0642d664b630044c6f3081dfc [0,1,0,1,0,0|0,0,1]=3 1947 B9R1.96 CC(=O)N1CC[C@H]1CO e8831b596318a484a992d94f488d625a [0,1,0,1,0,0|0,0,1]=3 1948 B9R1.96 CC(C)N1CCC1CO bba1aafb4024a4a9128c9bb843bf7b9f [0,1,0,1,0,0|0,0,0]=2 1949 B9R1.96 CC(C)N1CC[C@@H]1CO d5cb7fc46d3f7a6c7d5969fdff830e5b [0,1,0,1,0,0|0,0,0]=2 1950 B9R1.96 CC(C)N1CC[C@H]1CO 39f9e7f391bf1cd12b7cc49feb1cfbfb [0,1,0,1,0,0|0,0,0]=2 1951 B9R1.96 CCC1CCN1C(=O)C f8a8c2660e185a53a38bd009b5fd9a1e [0,1,0,1,0,0|1,0,1]=4 1952 B9R1.96 CCC1CCN1C(C)C cbb192c77615af78132fc0c4255876ef [0,1,0,1,0,0|1,0,0]=3 1953 B9R1.96 CCN1CCC1C(=O)N 1cfe5ebf987ecebafa868cbdeb4b7422 [0,1,0,1,0,0|0,0,2]=4 1954 B9R1.96 CCN1CCC1C(=O)O ca0bbfd670281167636f7e4dd4cc56bf [0,1,0,1,0,0|0,0,1]=3 1955 B9R1.96 CCN1CC[C@@H]1C(=O)N d26915c9d0e6ed65803bfdf786a1b1ce [0,1,0,1,0,0|0,0,2]=4 1956 B9R1.96 CCN1CC[C@@H]1C(=O)O e809f9b39a76e5f73ee720d520f2d8da [0,1,0,1,0,0|0,0,1]=3 1957 B9R1.96 CCN1CC[C@H]1C(=O)N 32f8eb51fb894d3b554c30dd0433e814 [0,1,0,1,0,0|0,0,2]=4 1958 B9R1.96 CCN1CC[C@H]1C(=O)O 90d4ef3b77b2d2edfd444739e71a1146 [0,1,0,1,0,0|0,0,1]=3 1959 B9R1.96 O=C(O)C1CCN1CF a73c50a5747fbf1c9dcb89ff140eef56 [0,1,0,1,0,0|1,0,1]=4 1960 B9R1.96 O=C(O)C1CCN1CO dcd47fec92d7cd22c146c2f982367c0e [0,1,0,1,0,0|1,0,1]=4 1961 B9R1.96 O=C(O)[C@@H]1CCN1CF 33bf6032edb12ba6e0c6af4b3ab637c5 [0,1,0,1,0,0|1,0,1]=4 1962 B9R1.96 O=C(O)[C@@H]1CCN1CO 2d3df4b77e74f2ed1add2f1fa0f35f44 [0,1,0,1,0,0|1,0,1]=4 1963 B9R1.96 O=C(O)[C@H]1CCN1CF 732a43f42ed58b977b82331718d13123 [0,1,0,1,0,0|1,0,1]=4 1964 B9R1.96 O=C(O)[C@H]1CCN1CO 49245c491708831bcf451e59d5634aff [0,1,0,1,0,0|1,0,1]=4 1965 B9R1.116 CC(C)N(CF)C1CC1 3de0300b1ace821a1fd49e5193422b34 [0,1,0,1,0,0|2,0,0]=4 1966 B9R1.116 CC(C)N(CO)C1CC1 846d52adae1e55fd6b7a50e47d4c6f47 [0,1,0,1,0,0|2,0,0]=4 1967 B9R1.116 CCN(C(=O)C)C1CC1 adf3bae0c69d176b44948d48f82bf8cc [0,1,0,1,0,0|1,0,1]=4 1968 B9R1.116 CCN(C(C)C)C1CC1 87f205b60889e2e35cb791c1a2a4a62b [0,1,0,1,0,0|1,0,0]=3 1969 B9R1.154 C#CCN1C(CC1C)C d9090c65d51bf401ad617ad40c56cda3 [0,1,0,1,0,0|1,0,1]=4 1970 B9R1.154 C#CCN1[C@@H](C[C@@H]1C)C db49917d954aa4d6d24de0496dc78f01 [0,1,0,1,0,0|1,0,1]=4 1971 B9R1.154 C#CCN1[C@@H](C[C@H]1C)C 342aa2336716669001448537e9e7c736 [0,1,0,1,0,0|1,0,1]=4 1972 B9R1.154 C#CCN1[C@H](C[C@@H]1C)C 3cbd4e4dfa2e9ce18de170d5af859acf [0,1,0,1,0,0|1,0,1]=4 1973 B9R1.154 C=CCN1C(CC1C)C d4425a82251dd3b389dff4a6f96a40b1 [0,1,0,1,0,0|1,0,1]=4 1974 B9R1.154 C=CCN1[C@@H](C[C@@H]1C)C d11978b23352048af88df9c66dd4212b [0,1,0,1,0,0|1,0,1]=4 1975 B9R1.154 C=CCN1[C@@H](C[C@H]1C)C 71b18c894724021dc638e5c4a9790929 [0,1,0,1,0,0|1,0,1]=4 1976 B9R1.154 C=CCN1[C@H](C[C@@H]1C)C ed5c1c84a89627cf7cf28555fd8993e8 [0,1,0,1,0,0|1,0,1]=4 1977 B9R1.154 CC1CC(N1CC#N)C 1144b2e494cb0a9fe411007864174c66 [0,1,0,1,0,0|1,0,1]=4 1978 B9R1.154 CC1CC(N1CC=O)C bc0b61e4e04469466db3f2a4f3a67476 [0,1,0,1,0,0|0,0,2]=4 1979 B9R1.154 CC1CC(N1CCF)C e7d5cb5355602202149590ff94d6199c [0,1,0,1,0,0|1,0,0]=3 1980 B9R1.154 CC1CC(N1CCO)C f73e93c47eae171f392aa9569800d443 [0,1,0,1,0,0|0,0,0]=2 1981 B9R1.154 CC1CC(N1CCS)C 6ec6f79d9cd69d6f88b7ade888fa6eee [0,1,0,1,0,0|0,1,0]=3 1982 B9R1.154 CCCN1C(CC1C)C d1c29f720bb91ef579774d900a2674ad [0,1,0,1,0,0|1,0,0]=3 1983 B9R1.154 CCCN1[C@@H](C[C@@H]1C)C ea53a6ef50fcd7ae04fadab82bca398b [0,1,0,1,0,0|1,0,0]=3 1984 B9R1.154 CCCN1[C@@H](C[C@H]1C)C 11f45f43d0037b6610ccab88a948b02b [0,1,0,1,0,0|1,0,0]=3 1985 B9R1.154 CCCN1[C@H](C[C@@H]1C)C 4fd9ffb5808db806f50ab3ef17cc9950 [0,1,0,1,0,0|1,0,0]=3 1986 B9R1.154 COCN1C(CC1C)C 95483efbd3c561533517bafcabd6a9f0 [0,1,0,1,0,0|2,0,0]=4 1987 B9R1.154 COCN1[C@@H](C[C@@H]1C)C 23bf3fd7944116d08229c271b817c35a [0,1,0,1,0,0|2,0,0]=4 1988 B9R1.154 COCN1[C@@H](C[C@H]1C)C f3e4ba2e811084140532f9e2bb136767 [0,1,0,1,0,0|2,0,0]=4 1989 B9R1.154 COCN1[C@H](C[C@@H]1C)C 63ebce982c4019ba31ec89060f77d6b2 [0,1,0,1,0,0|2,0,0]=4 1990 B9R1.154 CSCN1C(CC1C)C eb6751aa04e36cba5276c1193170c2a2 [0,1,0,1,0,0|2,0,0]=4 1991 B9R1.154 CSCN1[C@@H](C[C@@H]1C)C e7da3ef15ee61e1eba59ee49d0b0a61d [0,1,0,1,0,0|2,0,0]=4 1992 B9R1.154 CSCN1[C@@H](C[C@H]1C)C 20987dfb97580ae46d7010d8ba8945e5 [0,1,0,1,0,0|2,0,0]=4 1993 B9R1.154 CSCN1[C@H](C[C@@H]1C)C 1b306a8c7936076c83616117384f1f81 [0,1,0,1,0,0|2,0,0]=4 1994 B9R1.154 C[C@@H]1C[C@@H](N1CC#N)C 2ac532afae820c7ef0f47e9aed16aac0 [0,1,0,1,0,0|1,0,1]=4 1995 B9R1.154 C[C@@H]1C[C@@H](N1CC=O)C 7963211f41e6324b07aa406dbc970863 [0,1,0,1,0,0|0,0,2]=4 1996 B9R1.154 C[C@@H]1C[C@@H](N1CCF)C 3e7ed274e4d2bc08a407d436414bfeb6 [0,1,0,1,0,0|1,0,0]=3 1997 B9R1.154 C[C@@H]1C[C@@H](N1CCO)C b48c2d47a4c0f580824c500acea71a13 [0,1,0,1,0,0|0,0,0]=2 1998 B9R1.154 C[C@@H]1C[C@@H](N1CCS)C fc3e90a8ceb057dbc085f9f182a54fa1 [0,1,0,1,0,0|0,1,0]=3 1999 B9R1.154 C[C@@H]1C[C@H](N1CC#N)C 705eff87187366bdf2ad941452b8df71 [0,1,0,1,0,0|1,0,1]=4 2000 B9R1.154 C[C@@H]1C[C@H](N1CC=O)C e04778fa0ec895d8bcc4e5cee44098ee [0,1,0,1,0,0|0,0,2]=4 2001 B9R1.154 C[C@@H]1C[C@H](N1CCF)C 2f99acd2a8c21d1c132a6f89f4819908 [0,1,0,1,0,0|1,0,0]=3 2002 B9R1.154 C[C@@H]1C[C@H](N1CCO)C 65c5c033225c43374951d48ff15f0d42 [0,1,0,1,0,0|0,0,0]=2 2003 B9R1.154 C[C@@H]1C[C@H](N1CCS)C 827f53560c341da87377d5829d42ef3b [0,1,0,1,0,0|0,1,0]=3 2004 B9R1.154 C[C@H]1C[C@@H](N1CC#N)C 5ea4d869d52ad4337a6abf254adfe167 [0,1,0,1,0,0|1,0,1]=4 2005 B9R1.154 C[C@H]1C[C@@H](N1CC=O)C 5823fac4702a09f91bdb31e9d0965edb [0,1,0,1,0,0|0,0,2]=4 2006 B9R1.154 C[C@H]1C[C@@H](N1CCF)C dc2ea325c0a3e4753b1eebf5898ed6f1 [0,1,0,1,0,0|1,0,0]=3 2007 B9R1.154 C[C@H]1C[C@@H](N1CCO)C 8d2ffb6b3a5c00c14cd5c069a2b86bd1 [0,1,0,1,0,0|0,0,0]=2 2008 B9R1.154 C[C@H]1C[C@@H](N1CCS)C 9d9243023687b58b8c1dfdaee834ecc8 [0,1,0,1,0,0|0,1,0]=3 2009 B9R1.179 CC(O)C1(CC1)NCO f8808e2fb58056d5e45fbe373281cf91 [0,1,0,1,0,0|2,0,0]=4 2010 B9R1.2 CC1CCCN(C1)CF b691638e4475db7509438452c0a1551a [0,1,0,1,0,0|2,0,0]=4 2011 B9R1.2 CC1CCCN(C1)CO 26652d230bcc9a1195d63435a97c512d [0,1,0,1,0,0|2,0,0]=4 2012 B9R1.2 CC1CN(CCO1)C=O 419911434d41e805d16780cbe76cce9d [0,1,0,1,0,0|1,0,1]=4 2013 B9R1.2 CC1CN(CCO1)CF 5604e0e287f758cadf8b3a47139435e2 [0,1,0,1,0,0|1,0,0]=3 2014 B9R1.2 CC1CN(CCO1)CO 778a26868977a5891e9594a8c31c0b2b [0,1,0,1,0,0|1,0,0]=3 2015 B9R1.2 CCN1CC=CC(C1)O c6d03f688e44a836212478eabc593db6 [0,1,0,1,0,0|0,0,1]=3 2016 B9R1.2 CCN1CCCC(=O)C1 b0afeee675d5ec52ec51d9d2cdcf36a5 [0,1,0,1,0,0|0,0,2]=4 2017 B9R1.2 CCN1CCCC(C1)C bb28da9a5acb28960c4ccbfa24bf8789 [0,1,0,1,0,0|1,0,0]=3 2018 B9R1.2 CCN1CCCC(C1)F f34071e85de22867d954ce820be49898 [0,1,0,1,0,0|1,0,0]=3 2019 B9R1.2 CCN1CCCC(C1)O 01dd02e5bf6117a7fa48ae871f4642c4 [0,1,0,1,0,0|0,0,0]=2 2020 B9R1.2 CCN1CCC[C@@H](C1)C 60c8c16bbe3ec0bdd85a0ab469564b45 [0,1,0,1,0,0|1,0,0]=3 2021 B9R1.2 CCN1CCC[C@@H](C1)F 4bc82a27cb24b8d929f4ba749eb6afe0 [0,1,0,1,0,0|1,0,0]=3 2022 B9R1.2 CCN1CCC[C@@H](C1)O d6e6558187b53da928a88c93a11d40fa [0,1,0,1,0,0|0,0,0]=2 2023 B9R1.2 CCN1CCC[C@H](C1)C 7a8da6e9090318009a7decadd340bca1 [0,1,0,1,0,0|1,0,0]=3 2024 B9R1.2 CCN1CCC[C@H](C1)F 16c2e2d7a2b96adf6d95208ff0d9f05f [0,1,0,1,0,0|1,0,0]=3 2025 B9R1.2 CCN1CCC[C@H](C1)O 9fb116abf81f3b2aa3dfe9efc1670b96 [0,1,0,1,0,0|0,0,0]=2 2026 B9R1.2 CCN1CCNC(=O)C1 8ee087b200f253c3cbe099e9fc72a94a [0,1,0,1,0,0|0,0,2]=4 2027 B9R1.2 CCN1CCOC(=O)C1 3f4941c9ffb61ce7dcae55397d747220 [0,1,0,1,0,0|0,0,1]=3 2028 B9R1.2 CCN1CCOC(C1)C 728c54cb68ad3e7e596277403e524930 [0,1,0,1,0,0|0,0,0]=2 2029 B9R1.2 CCN1CCO[C@@H](C1)C 6773a2926bf65cf454f86f72394acd18 [0,1,0,1,0,0|0,0,0]=2 2030 B9R1.2 CCN1CCO[C@H](C1)C 2830584cb78b6db06594fe0e084d9b83 [0,1,0,1,0,0|0,0,0]=2 2031 B9R1.2 C[C@@H]1CCCN(C1)CF cac6b7b5fb4001646643abf50489bbdb [0,1,0,1,0,0|2,0,0]=4 2032 B9R1.2 C[C@@H]1CCCN(C1)CO 6675ecf83c8b49544e3561e3282b0e83 [0,1,0,1,0,0|2,0,0]=4 2033 B9R1.2 C[C@@H]1CN(CCO1)C=O b5db532eab9a99bf3ba15375dd3b6f02 [0,1,0,1,0,0|1,0,1]=4 2034 B9R1.2 C[C@@H]1CN(CCO1)CF 3b82e6ab612ad0d331b047e2904a7f87 [0,1,0,1,0,0|1,0,0]=3 2035 B9R1.2 C[C@@H]1CN(CCO1)CO 11017e5ee62e4fd7346d2d1374c88c4c [0,1,0,1,0,0|1,0,0]=3 2036 B9R1.2 C[C@H]1CCCN(C1)CF c41858f8ae1d9653339e528e6cb2c0eb [0,1,0,1,0,0|2,0,0]=4 2037 B9R1.2 C[C@H]1CCCN(C1)CO 612f7806a77df61f3b60bf95e73ba9e6 [0,1,0,1,0,0|2,0,0]=4 2038 B9R1.2 C[C@H]1CN(CCO1)C=O df29ae4feffabe0da5bd47bb2c69d059 [0,1,0,1,0,0|1,0,1]=4 2039 B9R1.2 C[C@H]1CN(CCO1)CF e69c1008d59a2450179733e0300d4744 [0,1,0,1,0,0|1,0,0]=3 2040 B9R1.2 C[C@H]1CN(CCO1)CO d21afa11a092c2202f863301c8e7ddd7 [0,1,0,1,0,0|1,0,0]=3 2041 B9R1.2 FCN1CCCC(C1)F 82519f4199c56ff234e45d04d55a74d4 [0,1,0,1,0,0|2,0,0]=4 2042 B9R1.2 FCN1CCC[C@@H](C1)F f40dae0651dcf4cd6b3ab3203208d466 [0,1,0,1,0,0|2,0,0]=4 2043 B9R1.2 FCN1CCC[C@H](C1)F ea6001a32faacf160a7f22d56b28ce6a [0,1,0,1,0,0|2,0,0]=4 2044 B9R1.2 O=C1CN(CCO1)CF c923694c0bf9f6f1496b855a5b8b01b2 [0,1,0,1,0,0|1,0,1]=4 2045 B9R1.2 O=C1CN(CCO1)CO 8db94e8adcec68c019e224a8c72e73db [0,1,0,1,0,0|1,0,1]=4 2046 B9R1.2 O=CN1CCCC(C1)O 0df930667a84d8d3d91a613bfd57f133 [0,1,0,1,0,0|1,0,1]=4 2047 B9R1.2 O=CN1CCC[C@@H](C1)O 50e0b44fd1f0b47772960747a9d4dc2e [0,1,0,1,0,0|1,0,1]=4 2048 B9R1.2 O=CN1CCC[C@H](C1)O 1099b25f2d4ea20dc0b6d23f3ff3e4f6 [0,1,0,1,0,0|1,0,1]=4 2049 B9R1.2 OC1C=CCN(C1)CF efb0cf31bb25f13d864d95070133686b [0,1,0,1,0,0|1,0,1]=4 2050 B9R1.2 OC1CCCN(C1)CF 4df59c67f1dddf0d33cb5fbf9fb2d841 [0,1,0,1,0,0|1,0,0]=3 2051 B9R1.2 OCN1CC=CC(C1)O aed5d24fa0b2087a3cf5e034033fdea4 [0,1,0,1,0,0|1,0,1]=4 2052 B9R1.2 OCN1CCCC(C1)F c961438756a97ac71c25ac8244d6a7a3 [0,1,0,1,0,0|2,0,0]=4 2053 B9R1.2 OCN1CCCC(C1)O a1a4b503369ffbeead5dbdfde67130ff [0,1,0,1,0,0|1,0,0]=3 2054 B9R1.2 OCN1CCC[C@@H](C1)F 86e2abc91290abd055bfb691fa5f12d9 [0,1,0,1,0,0|2,0,0]=4 2055 B9R1.2 OCN1CCC[C@@H](C1)O 44839fbaefbedf7952c40f3e445b2f37 [0,1,0,1,0,0|1,0,0]=3 2056 B9R1.2 OCN1CCC[C@H](C1)F d473717ba6ccce88f32fe4c5f2bce4c0 [0,1,0,1,0,0|2,0,0]=4 2057 B9R1.2 OCN1CCC[C@H](C1)O 958b5d72e374ab873500994771487a3a [0,1,0,1,0,0|1,0,0]=3 2058 B9R1.2 O[C@@H]1CCCN(C1)CF 3a01270ddce23eb98da92fdec4d1eb7c [0,1,0,1,0,0|1,0,0]=3 2059 B9R1.2 O[C@H]1CCCN(C1)CF 517eff8a3f41933ce4b79695b3ea6e98 [0,1,0,1,0,0|1,0,0]=3 2060 B9R1.13 CC(C)CN1CCSC1 cd88fc01445a4ce8c9cbf7d83a6d3fdc [0,1,0,1,0,0|2,0,0]=4 2061 B9R1.13 CC(O)CN1CC=CC1 3bb90eb2862b7276372322de823f5f8c [0,1,0,1,0,0|0,0,2]=4 2062 B9R1.13 CC(O)CN1CCSC1 53d3fd88efa1771ec1369d698ded9211 [0,1,0,1,0,0|1,0,0]=3 2063 B9R1.13 C[C@@H](O)CN1CC=CC1 89beeeb54448dd04ef5a7dce604f06d3 [0,1,0,1,0,0|0,0,2]=4 2064 B9R1.13 C[C@@H](O)CN1CCSC1 d23038b0a5fee9444b05c8a77b89f96f [0,1,0,1,0,0|1,0,0]=3 2065 B9R1.13 C[C@H](O)CN1CC=CC1 bde076f1059f9856516a2c65985b6a38 [0,1,0,1,0,0|0,0,2]=4 2066 B9R1.13 C[C@H](O)CN1CCSC1 0cd403c8a70c7a07025d47897fe6155d [0,1,0,1,0,0|1,0,0]=3 2067 B9R1.13 FC(F)CN1CCSC1 d5e1091c9d57f03a7dc71cfb6af59e3c [0,1,0,1,0,0|2,0,0]=4 2068 B9R1.13 O=C(O)CN1CCSC1 3cee187b91b84407a74d8a64ddd2529a [0,1,0,1,0,0|1,0,1]=4 2069 B9R1.133 CC1(CCN(C1)C=O)O ed609225dbf3e401e54c9b8123074805 [0,1,0,1,0,0|1,0,1]=4 2070 B9R1.133 CC1(CCN(C1)CF)C c6e70b63f1fe71a7180d914c0a7df2e6 [0,1,0,1,0,0|2,0,0]=4 2071 B9R1.133 CC1(CCN(C1)CF)F 4681bae4cc71deaa3ed3f52da3788b23 [0,1,0,1,0,0|2,0,0]=4 2072 B9R1.133 CC1(CCN(C1)CF)O a47c403d2ced0092c43e565cdefdf00a [0,1,0,1,0,0|1,0,0]=3 2073 B9R1.133 CC1(CCN(C1)CO)C d158c1421c0d2d0dc5d2a63182ce978f [0,1,0,1,0,0|2,0,0]=4 2074 B9R1.133 CC1(CCN(C1)CO)F ea38e5f05e44fe13f1b925965d4367c3 [0,1,0,1,0,0|2,0,0]=4 2075 B9R1.133 CC1(CCN(C1)CO)O 439376ce5ca9e12a754ca0209e377cb1 [0,1,0,1,0,0|1,0,0]=3 2076 B9R1.133 CCN1CCC(C1)(C)C 6e7ef6deabe63ac42a164716a48a3776 [0,1,0,1,0,0|1,0,0]=3 2077 B9R1.133 CCN1CCC(C1)(C)F 02b472e57cecd5cce22eee82090fbc0b [0,1,0,1,0,0|1,0,0]=3 2078 B9R1.133 CCN1CCC(C1)(C)O d1beeb0fc99b60e6c63123bbaf4c0229 [0,1,0,1,0,0|0,0,0]=2 2079 B9R1.133 CCN1CCC(C1)(F)F 6c6c32fabf94d3eed292c54d1b481590 [0,1,0,1,0,0|1,0,0]=3 2080 B9R1.133 CCN1CC[C@@](C1)(C)O acdf7f598caabc2534acd1260766e118 [0,1,0,1,0,0|0,0,0]=2 2081 B9R1.133 CCN1CC[C@](C1)(C)O 3cb5730476cf0a31249ab849cf67edd3 [0,1,0,1,0,0|0,0,0]=2 2082 B9R1.133 C[C@@]1(CCN(C1)C=O)O 1e7d7a2982c76195d47d7e585ac485ab [0,1,0,1,0,0|1,0,1]=4 2083 B9R1.133 C[C@@]1(CCN(C1)CF)O 699591899a39c7b82c2e6caed6fcb001 [0,1,0,1,0,0|1,0,0]=3 2084 B9R1.133 C[C@@]1(CCN(C1)CO)O 1ec86443162899d51853c9f0f7777401 [0,1,0,1,0,0|1,0,0]=3 2085 B9R1.133 C[C@]1(CCN(C1)C=O)O 55932c546564fed0baf55c2db4231011 [0,1,0,1,0,0|1,0,1]=4 2086 B9R1.133 C[C@]1(CCN(C1)CF)O e506381070bdbfb84252529a718845ca [0,1,0,1,0,0|1,0,0]=3 2087 B9R1.133 C[C@]1(CCN(C1)CO)O a66df1802f5c85956acee1c46bbb3320 [0,1,0,1,0,0|1,0,0]=3 2088 B9R1.133 FCN1CCC(C1)(F)F 24b713dc89a29f64a1a4a20328caf3d0 [0,1,0,1,0,0|2,0,0]=4 2089 B9R1.133 OCN1CCC(C1)(F)F 5772381cc986fa7f4c4eec1256c311b2 [0,1,0,1,0,0|2,0,0]=4 2090 B9R1.11 CC(CO)N1CC=CC1 0f2bc7c4e3a767963a152985864a9282 [0,1,0,1,0,0|0,0,2]=4 2091 B9R1.11 CC(CO)N1CCSC1 1d4d4e2852f97890671092c4ef964d1b [0,1,0,1,0,0|1,0,0]=3 2092 B9R1.11 CCC(C)N1CCSC1 82906b23723ccfa0623d75d9bc1c3be7 [0,1,0,1,0,0|2,0,0]=4 2093 B9R1.11 CN(CO)C1CCCC1 0b5d16fc59af1f86a07861d7fe6de384 [0,1,0,1,0,0|2,0,0]=4 2094 B9R1.11 C[C@@H](CO)N1CC=CC1 fbf56c362808ea6a203278c043fe1436 [0,1,0,1,0,0|0,0,2]=4 2095 B9R1.11 C[C@@H](CO)N1CCSC1 c15e476cac31bade22e5e93d072ff6cd [0,1,0,1,0,0|1,0,0]=3 2096 B9R1.11 C[C@H](CO)N1CC=CC1 3510fb6e2b7a8f2a324a5a92c965c996 [0,1,0,1,0,0|0,0,2]=4 2097 B9R1.11 C[C@H](CO)N1CCSC1 8f226dc4c661d3c281c27b6fe7e907f6 [0,1,0,1,0,0|1,0,0]=3 2098 B9R1.11 O=C(CO)N1CCSC1 42095cf2ba0d7bb360a067bfcbd5ee52 [0,1,0,1,0,0|1,0,1]=4 2099 B9R1.14 C#CC1CCCN1CC c8df2d1e32e1db9447de8b5ef2ed42d8 [0,1,0,1,0,0|1,0,1]=4 2100 B9R1.14 CCC1CCCN1CC c1e0af4df28c9d45887eabd6c6ae8592 [0,1,0,1,0,0|1,0,0]=3 2101 B9R1.14 CCC1CCCN1CF 385e79d6466f62510ea4063bcf54b747 [0,1,0,1,0,0|2,0,0]=4 2102 B9R1.14 CCC1CCCN1CO c6b0552297ecd81b340673988242e49e [0,1,0,1,0,0|2,0,0]=4 2103 B9R1.14 CCN1CC=CC1CO 588d35e44178b5f5c903ec1be725dc4b [0,1,0,1,0,0|0,0,1]=3 2104 B9R1.14 CCN1CCCC1C#N 12f280a295e57bd2a871fe051173a3d8 [0,1,0,1,0,0|1,0,1]=4 2105 B9R1.14 CCN1CCCC1CO 4cc70a524b6a49ae6ff776db26f663d6 [0,1,0,1,0,0|0,0,0]=2 2106 B9R1.14 CCN1CCCC1OC 9b7034b2ef4a9a1e58e21607d3078475 [0,1,0,1,0,0|1,0,0]=3 2107 B9R1.14 CCN1CCC[C@@H]1CF db8891b9fa42c2d7590f7d287c4f54ce [0,1,0,1,0,0|1,0,0]=3 2108 B9R1.14 CCN1CCC[C@@H]1CO 06f5f2fca38eb9626faec3727a8f59e6 [0,1,0,1,0,0|0,0,0]=2 2109 B9R1.14 CCN1CCC[C@H]1C#N 4da00469e3486b0f26400f179e811158 [0,1,0,1,0,0|1,0,1]=4 2110 B9R1.14 CCN1CCC[C@H]1CF cc2d3ec5216c037143c59acbd05341db [0,1,0,1,0,0|1,0,0]=3 2111 B9R1.14 CCN1CCC[C@H]1CO e5330ba4d388a8e39b15a149c876b607 [0,1,0,1,0,0|0,0,0]=2 2112 B9R1.14 CC[C@@H]1CCCN1CC 2ed4b1b5dcff54988a458daa323d3107 [0,1,0,1,0,0|1,0,0]=3 2113 B9R1.14 CC[C@@H]1CCCN1CF 4ad55d995c181345ed4cce2b35ed252b [0,1,0,1,0,0|2,0,0]=4 2114 B9R1.14 CC[C@@H]1CCCN1CO 79102ed9add4e6c642219a59503e87a6 [0,1,0,1,0,0|2,0,0]=4 2115 B9R1.14 COC1CCCN1CF 623040956268e11bef76fe16ce2d8e42 [0,1,0,1,0,0|2,0,0]=4 2116 B9R1.14 COC1CCCN1CO 454d3f0a001dd5173aedaf88873c3cfd [0,1,0,1,0,0|2,0,0]=4 2117 B9R1.14 FC[C@@H]1CCCN1CF f4a0389df4604de47304622ef6c9677a [0,1,0,1,0,0|2,0,0]=4 2118 B9R1.14 FC[C@H]1CCCN1CF 7c67a20025cc0b93b2ec9c886d4732af [0,1,0,1,0,0|2,0,0]=4 2119 B9R1.14 O=CN1CCCC1CO 75b12ffa9bd2f35acc3b984d4ad2e6f7 [0,1,0,1,0,0|1,0,1]=4 2120 B9R1.14 O=CN1CCC[C@@H]1CO b2e4d0ee0a911eac6a5bfd92181e1f8a [0,1,0,1,0,0|1,0,1]=4 2121 B9R1.14 O=CN1CCC[C@H]1CO 6edb00daf504246f581ca4815eae2e10 [0,1,0,1,0,0|1,0,1]=4 2122 B9R1.14 OCC1C=CCN1CF 921ede5f97c89c10ff85b22651a07d51 [0,1,0,1,0,0|1,0,1]=4 2123 B9R1.14 OCC1C=CCN1CO fabeb3b6d76ce976472c2b7e5492fc39 [0,1,0,1,0,0|1,0,1]=4 2124 B9R1.14 OCC1CCCN1CF fc306af253151b230b6de77036525b79 [0,1,0,1,0,0|1,0,0]=3 2125 B9R1.14 OCC1CCCN1CO 103d237b3832b44e7e113d53d26dd552 [0,1,0,1,0,0|1,0,0]=3 2126 B9R1.14 OCN1CCC[C@@H]1CF a9554f4b6d7737e1bd3bc5c2df97fa25 [0,1,0,1,0,0|2,0,0]=4 2127 B9R1.14 OCN1CCC[C@H]1CF fe4bf6275597cb1757e1e4230066f80f [0,1,0,1,0,0|2,0,0]=4 2128 B9R1.14 OC[C@@H]1CCCN1CF 470a57bb538dd0185efa952370d64394 [0,1,0,1,0,0|1,0,0]=3 2129 B9R1.14 OC[C@@H]1CCCN1CO 28917fb44d92b07cb2f7c9713aa5ae26 [0,1,0,1,0,0|1,0,0]=3 2130 B9R1.14 OC[C@H]1CCCN1CF ef8d5bbd564c6f14760333de8a1e2bc4 [0,1,0,1,0,0|1,0,0]=3 2131 B9R1.14 OC[C@H]1CCCN1CO 2658bc67a778437545d7f113bde26855 [0,1,0,1,0,0|1,0,0]=3 2132 B9R1.27 CC1CCC(N1CF)C 07fbfe85c74070b79103a7487f10a3da [0,1,0,1,0,0|2,0,0]=4 2133 B9R1.27 CC1CCC(N1CO)C 915dc7f4bb8313559fce313d677891e4 [0,1,0,1,0,0|2,0,0]=4 2134 B9R1.27 CCN1C(CCC1C)C a8701ec13b1a6a9c287ab57d6026c0d3 [0,1,0,1,0,0|1,0,0]=3 2135 B9R1.27 CCN1[C@@H](CC[C@@H]1C)C 4ca5280658d273d6874be33d7325d27e [0,1,0,1,0,0|1,0,0]=3 2136 B9R1.27 CCN1[C@@H](CC[C@H]1C)C a050fc1f377542681e97de9418cdc9b2 [0,1,0,1,0,0|1,0,0]=3 2137 B9R1.27 CCN1[C@H](CC[C@@H]1C)C 2c3030df1d93f2ac741a77c1b6f87ebd [0,1,0,1,0,0|1,0,0]=3 2138 B9R1.27 C[C@@H]1CC[C@@H](N1CF)C 66d226da7f6005ec5489cbaff73dfefc [0,1,0,1,0,0|2,0,0]=4 2139 B9R1.27 C[C@@H]1CC[C@@H](N1CO)C afc963e98822e7e05d24d373310b7d28 [0,1,0,1,0,0|2,0,0]=4 2140 B9R1.27 C[C@@H]1CC[C@H](N1CF)C 3478da6c67d90abbfd40e01cb454fb6b [0,1,0,1,0,0|2,0,0]=4 2141 B9R1.27 C[C@@H]1CC[C@H](N1CO)C 38b88e12f2a7a0b40c0e8ecbe74f6383 [0,1,0,1,0,0|2,0,0]=4 2142 B9R1.27 C[C@H]1CC[C@@H](N1CF)C 553329d2993552e9c41bdfbba492cd88 [0,1,0,1,0,0|2,0,0]=4 2143 B9R1.27 C[C@H]1CC[C@@H](N1CO)C 555a90634e780a6eae8b46bef30a663b [0,1,0,1,0,0|2,0,0]=4 2144 B9R1.71 CCN(CC)C1(CC1)C 7fba158f2c657e67e71ca2a9a8af1aa7 [0,1,0,1,0,0|1,0,0]=3 2145 B9R1.71 CCN(CF)C1(CC1)C 0d004ebf774a29fe85d9696faed7c303 [0,1,0,1,0,0|2,0,0]=4 2146 B9R1.71 CCN(CO)C1(CC1)C 0d929d47680805f5794f3ba641e30087 [0,1,0,1,0,0|2,0,0]=4 2147 B9R1.7 C#CCN1CCC(C1)C aa4a780c0eb395915a11b72e603ff891 [0,1,0,1,0,0|1,0,1]=4 2148 B9R1.7 C#CCN1CCC(C1)F db0e4f62ce8a60a3e60844543eee2d44 [0,1,0,1,0,0|1,0,1]=4 2149 B9R1.7 C#CCN1CCC(C1)O 070ad8fe3a5d270b293bae4af94da12b [0,1,0,1,0,0|0,0,1]=3 2150 B9R1.7 C#CCN1CCN(C1)C ad126ba2395c442a4981ad25284ca5d5 [0,1,0,1,0,0|1,0,1]=4 2151 B9R1.7 C#CCN1CC[C@@H](C1)F 82fe520643a7e5eb8c9fb8c491fd6917 [0,1,0,1,0,0|1,0,1]=4 2152 B9R1.7 C#CCN1CC[C@@H](C1)O 6d885bc01d7fe0945ee2b6af35efa1d7 [0,1,0,1,0,0|0,0,1]=3 2153 B9R1.7 C#CCN1CC[C@H](C1)F a06e0336473effba4508dd83a72b7800 [0,1,0,1,0,0|1,0,1]=4 2154 B9R1.7 C#CCN1CC[C@H](C1)O 7c5777d907fc23d6822cbcb188b60179 [0,1,0,1,0,0|0,0,1]=3 2155 B9R1.7 C=CCN1CCC(C1)C 02824cd28809d0a4e9b65245a31c044f [0,1,0,1,0,0|1,0,1]=4 2156 B9R1.7 C=CCN1CCC(C1)F 18778a958ab3dd4e4cfc38dee403e7e6 [0,1,0,1,0,0|1,0,1]=4 2157 B9R1.7 C=CCN1CCC(C1)O 90d77348644f7575f052a1424868013e [0,1,0,1,0,0|0,0,1]=3 2158 B9R1.7 C=CCN1CCN(C1)C abf91cbb3181c6a391366c369567157d [0,1,0,1,0,0|1,0,1]=4 2159 B9R1.7 C=CCN1CC[C@@H](C1)F 757a148cd5bb60d28a2c296c60919a4e [0,1,0,1,0,0|1,0,1]=4 2160 B9R1.7 C=CCN1CC[C@@H](C1)O 6f0bbc6d3d616e7aef28e5899b9e2800 [0,1,0,1,0,0|0,0,1]=3 2161 B9R1.7 C=CCN1CC[C@H](C1)F d32695b4822970352b5ece9306a63a6e [0,1,0,1,0,0|1,0,1]=4 2162 B9R1.7 C=CCN1CC[C@H](C1)O 52e5c7b77cb74eeec19b0f8f1f022091 [0,1,0,1,0,0|0,0,1]=3 2163 B9R1.7 CC1CCC(C1)NCO 6275625359996316caa25efa13480ea6 [0,1,0,1,0,0|2,0,0]=4 2164 B9R1.7 CC1CCN(C1)CC#N d64e75133ed52652d911733333e42e92 [0,1,0,1,0,0|1,0,1]=4 2165 B9R1.7 CC1CCN(C1)CC=O 60f84b0ab71f7f996705ad5037a1aec2 [0,1,0,1,0,0|0,0,2]=4 2166 B9R1.7 CC1CCN(C1)CCF 4863c99e2eef7db4fb9d44df7e377656 [0,1,0,1,0,0|1,0,0]=3 2167 B9R1.7 CC1CCN(C1)CCO a37b921eafe2b499d5b68642f869a353 [0,1,0,1,0,0|0,0,0]=2 2168 B9R1.7 CC1CCN(C1)CCS 10106941d20286d31219846a5f8a024d [0,1,0,1,0,0|0,1,0]=3 2169 B9R1.7 CCCN1CCC(C1)C 9e08c4db86fc8bf72aafcb115dd9401b [0,1,0,1,0,0|1,0,0]=3 2170 B9R1.7 CCCN1CCC(C1)F d269b2f2fce6f7ae5e50224107fd6707 [0,1,0,1,0,0|1,0,0]=3 2171 B9R1.7 CCCN1CCC(C1)O eeee4c9ff31547429984de7fec1530e5 [0,1,0,1,0,0|0,0,0]=2 2172 B9R1.7 CCCN1CCN(C1)C a5c604d84ad59fe2358983ad22e61353 [0,1,0,1,0,0|1,0,0]=3 2173 B9R1.7 CCCN1CC[C@@H](C1)F 05e94a0926f5e05d32c7325b10b9201f [0,1,0,1,0,0|1,0,0]=3 2174 B9R1.7 CCCN1CC[C@@H](C1)O addf13435b3a181b9ab32dc2532a69e7 [0,1,0,1,0,0|0,0,0]=2 2175 B9R1.7 CCCN1CC[C@H](C1)F fd5221c0e5a1f7d6841681e0c99d96bf [0,1,0,1,0,0|1,0,0]=3 2176 B9R1.7 CCCN1CC[C@H](C1)O cd6ac3bcff83f25d1af2efddd1475aec [0,1,0,1,0,0|0,0,0]=2 2177 B9R1.7 CCNC1CCC(C1)C 547849e139f726d1547850686dbabf59 [0,1,0,1,0,0|2,0,0]=4 2178 B9R1.7 CCNC1CCC(C1)O 628356fc89e19ef9e05dade55232a5bb [0,1,0,1,0,0|1,0,0]=3 2179 B9R1.7 CCN[C@@H]1CC[C@@H](C1)O 7c8c53e111793be80ad4cc673241d07f [0,1,0,1,0,0|1,0,0]=3 2180 B9R1.7 CCN[C@@H]1CC[C@H](C1)O ff712e2d7c8949b18071ff107f2beb24 [0,1,0,1,0,0|1,0,0]=3 2181 B9R1.7 CCN[C@H]1CC[C@@H](C1)O 2a978cf4fc6aa50fa68ee6171c076414 [0,1,0,1,0,0|1,0,0]=3 2182 B9R1.7 CCN[C@H]1CC[C@H](C1)O 32fb3339fe7260cc6eb8ef4293a46d46 [0,1,0,1,0,0|1,0,0]=3 2183 B9R1.7 CCOC1CCC(C1)C 2e79cb3e7d53d70b7a3a49594f9b7572 [0,1,0,1,0,0|2,0,0]=4 2184 B9R1.7 CCOC1CCC(C1)F cb7366f0f3c88496c0dd299220151677 [0,1,0,1,0,0|2,0,0]=4 2185 B9R1.7 CN1CCC(C1)NCO 7d7bd89062557809d0293aaeba4f3665 [0,1,0,1,0,0|2,0,0]=4 2186 B9R1.7 CN1CCN(C1)CC#N 34dbc708e5b3f33fb7e857e37c4729ba [0,1,0,1,0,0|1,0,1]=4 2187 B9R1.7 CN1CCN(C1)CC=O 31387518130e7368f5d8e7b14fb4ff76 [0,1,0,1,0,0|0,0,2]=4 2188 B9R1.7 CN1CCN(C1)CCF 7675d6c5d99a2de5944f7c5bdd64b07e [0,1,0,1,0,0|1,0,0]=3 2189 B9R1.7 CN1CCN(C1)CCO 37b780050d1fe7ed14c088cacb337644 [0,1,0,1,0,0|0,0,0]=2 2190 B9R1.7 CN1CCN(C1)CCS b839bcfa3f26e6655721ed263ec56126 [0,1,0,1,0,0|0,1,0]=3 2191 B9R1.7 CN1CC[C@@H](C1)NCO a9887390b487fecac8d0c584b29b720c [0,1,0,1,0,0|2,0,0]=4 2192 B9R1.7 CN1CC[C@H](C1)NCO 76dc676123a63de8093ea70fde1631cd [0,1,0,1,0,0|2,0,0]=4 2193 B9R1.7 COCN1CCC(C1)C ac6caddd163effd473f09494d0f5a349 [0,1,0,1,0,0|1,0,0]=3 2194 B9R1.7 COCN1CCC(C1)F a24516017e115d718b3d0a950d0ae654 [0,1,0,1,0,0|1,0,0]=3 2195 B9R1.7 COCN1CCC(C1)O 653b30c5fa979b0a47c5f897b36a5af2 [0,1,0,1,0,0|0,0,0]=2 2196 B9R1.7 COCN1CCN(C1)C c3c8b49d30cefad66286c9c8112f06a2 [0,1,0,1,0,0|2,0,0]=4 2197 B9R1.7 COCN1CC[C@@H](C1)F a74bc3609dc0d6772c2c4378c756fd53 [0,1,0,1,0,0|1,0,0]=3 2198 B9R1.7 COCN1CC[C@@H](C1)O 210646d0ca0d6cefd6327d8416ac76c6 [0,1,0,1,0,0|0,0,0]=2 2199 B9R1.7 COCN1CC[C@H](C1)F 7286e7e70cdb3caa3053fb6a1683ba9c [0,1,0,1,0,0|1,0,0]=3 2200 B9R1.7 COCN1CC[C@H](C1)O 9fd55a250556ba826d4649f89b98cb12 [0,1,0,1,0,0|0,0,0]=2 2201 B9R1.7 CSCN1CCC(C1)C a3228abcc148d07f54fdf12432315301 [0,1,0,1,0,0|1,0,0]=3 2202 B9R1.7 CSCN1CCC(C1)F 63365328f81e181fe7c466ba2278eea7 [0,1,0,1,0,0|1,0,0]=3 2203 B9R1.7 CSCN1CCC(C1)O fbbd0154bc0c75448d038d456bde6a8a [0,1,0,1,0,0|0,0,0]=2 2204 B9R1.7 CSCN1CCN(C1)C d9455f379dd3cb5fd6fb0798fe208c94 [0,1,0,1,0,0|2,0,0]=4 2205 B9R1.7 CSCN1CC[C@@H](C1)F ec952301d3e5ddd8f3507b372b364093 [0,1,0,1,0,0|1,0,0]=3 2206 B9R1.7 CSCN1CC[C@@H](C1)O 8799a64e8e48b9abc86b4989fbf04c38 [0,1,0,1,0,0|0,0,0]=2 2207 B9R1.7 CSCN1CC[C@H](C1)F ce065381c471294fffe496b3ab0d366a [0,1,0,1,0,0|1,0,0]=3 2208 B9R1.7 CSCN1CC[C@H](C1)O 3746d3117a905735b6e01deef3cb146c [0,1,0,1,0,0|0,0,0]=2 2209 B9R1.7 FC1CCN(C1)CCS 28185ee53e367902b1bf7f737e5acf0c [0,1,0,1,0,0|0,1,0]=3 2210 B9R1.7 FCCN1CCC(C1)F 532f481955093a1141885230376f8eac [0,1,0,1,0,0|1,0,0]=3 2211 B9R1.7 FCCN1CC[C@@H](C1)F 467730420d904c54d78c785217554379 [0,1,0,1,0,0|1,0,0]=3 2212 B9R1.7 FCCN1CC[C@H](C1)F dc6b83798a35a61b6eeae5cf44d13d4a [0,1,0,1,0,0|1,0,0]=3 2213 B9R1.7 F[C@@H]1CCN(C1)CCS 25aeb6d35a7e21eef969012a09d063b4 [0,1,0,1,0,0|0,1,0]=3 2214 B9R1.7 F[C@H]1CCN(C1)CCS 93740e30147a983ec48394db38fa165b [0,1,0,1,0,0|0,1,0]=3 2215 B9R1.7 N#CCN1CCC(C1)F ba3fcfd6156aedfc62e3eb9b7b65ad06 [0,1,0,1,0,0|1,0,1]=4 2216 B9R1.7 N#CCN1CCC(C1)O b0b348514146792e4749d270a5fa1f1a [0,1,0,1,0,0|0,0,1]=3 2217 B9R1.7 N#CCN1CC[C@@H](C1)F cb4c5eee13bc1b9b7ea23d32baba3d86 [0,1,0,1,0,0|1,0,1]=4 2218 B9R1.7 N#CCN1CC[C@@H](C1)O 03e1b5c48c9af5c237c83fcd52d04686 [0,1,0,1,0,0|0,0,1]=3 2219 B9R1.7 N#CCN1CC[C@H](C1)F 5017e7eafbd68e8ba6a888ec0a2ece15 [0,1,0,1,0,0|1,0,1]=4 2220 B9R1.7 N#CCN1CC[C@H](C1)O 02b45823ced235d6f87e3f832f404859 [0,1,0,1,0,0|0,0,1]=3 2221 B9R1.7 O=C1CN(CN1)CCO 7dd773ba31e78145aab267af7b35d02f [0,1,0,1,0,0|1,0,1]=4 2222 B9R1.7 O=CCN1CCC(C1)F f060a91610fd1c160462b8451592274c [0,1,0,1,0,0|0,0,2]=4 2223 B9R1.7 O=CCN1CCC(C1)O 99e2f8a92ac31be412a249812f35919e [0,1,0,1,0,0|0,0,1]=3 2224 B9R1.7 O=CCN1CC[C@@H](C1)F 3f3302fb44a2f6535f8baf3daa5909e7 [0,1,0,1,0,0|0,0,2]=4 2225 B9R1.7 O=CCN1CC[C@@H](C1)O 24c35e433dba4bd0d149bd5947289fc2 [0,1,0,1,0,0|0,0,1]=3 2226 B9R1.7 O=CCN1CC[C@H](C1)F 19a6e702b7550830275cbcf7f340a515 [0,1,0,1,0,0|0,0,2]=4 2227 B9R1.7 O=CCN1CC[C@H](C1)O ed1c58142b5d5eed74956f954dbf3a4e [0,1,0,1,0,0|0,0,1]=3 2228 B9R1.7 OC1CCC(C1)NCF 3b9081f983aa413c8ee6d7c03c239f9f [0,1,0,1,0,0|2,0,0]=4 2229 B9R1.7 OC1CCN(C1)CCF 4ffaf282fe2b1846ff7a38855e62c604 [0,1,0,1,0,0|0,0,0]=2 2230 B9R1.7 OC1CCN(C1)CCS 2c9aa86a936c95a2da0fcfc6aa3d9ee0 [0,1,0,1,0,0|0,0,0]=2 2231 B9R1.7 OCCN1CCC(C1)F 215941f5ef09749d81ccb8ca1094bfc4 [0,1,0,1,0,0|0,0,0]=2 2232 B9R1.7 OCCN1CCC(C1)O 724a10d4add7127ec95ebf59eb27c2a8 [0,1,0,1,0,0|0,0,0]=2 2233 B9R1.7 OCCN1CC[C@@H](C1)F bf11e675c8cc5af79bcdf2f8e9f6239a [0,1,0,1,0,0|0,0,0]=2 2234 B9R1.7 OCCN1CC[C@@H](C1)O d206cfc4d787c489ae20e81524e9b9f9 [0,1,0,1,0,0|0,0,0]=2 2235 B9R1.7 OCCN1CC[C@H](C1)F 7b65b4ef21dfce78beeb9ba5b10b6ad2 [0,1,0,1,0,0|0,0,0]=2 2236 B9R1.7 OCCN1CC[C@H](C1)O 4330ef9b8aa58d2572b93522b7d3a34c [0,1,0,1,0,0|0,0,0]=2 2237 B9R1.7 OCNC1CCC(C1)O 04970dc7cb29984489bac8427620cacc [0,1,0,1,0,0|2,0,0]=4 2238 B9R1.7 OCN[C@@H]1CC[C@@H](C1)O 984af2bfb9c9f9e0d6332b30cf31695a [0,1,0,1,0,0|2,0,0]=4 2239 B9R1.7 OCN[C@@H]1CC[C@H](C1)O afea27a13e818016f99f5a817da8df49 [0,1,0,1,0,0|2,0,0]=4 2240 B9R1.7 OCN[C@H]1CC[C@@H](C1)O 6852199a4fbc26596939c10c772ddf48 [0,1,0,1,0,0|2,0,0]=4 2241 B9R1.7 OCN[C@H]1CC[C@H](C1)O c1179834f3316ea571e0ff7fd5d39d66 [0,1,0,1,0,0|2,0,0]=4 2242 B9R1.7 O[C@@H]1CCN(C1)CCF 6958f49f20c98b47dc8096b5964db9ab [0,1,0,1,0,0|0,0,0]=2 2243 B9R1.7 O[C@@H]1CCN(C1)CCS a4d15014bb6a41f1ee95b77bfd97da88 [0,1,0,1,0,0|0,0,0]=2 2244 B9R1.7 O[C@@H]1CC[C@@H](C1)NCF 91ee63819af8b8a407b7cdb0773a44cf [0,1,0,1,0,0|2,0,0]=4 2245 B9R1.7 O[C@@H]1CC[C@H](C1)NCF ed2eaa771cd75e0504a522854fc676ca [0,1,0,1,0,0|2,0,0]=4 2246 B9R1.7 O[C@H]1CCN(C1)CCF 7e40be39f1c88ad9bc148d2424e69fac [0,1,0,1,0,0|0,0,0]=2 2247 B9R1.7 O[C@H]1CCN(C1)CCS 045651bc4e4f7d2da72659218ac78510 [0,1,0,1,0,0|0,0,0]=2 2248 B9R1.7 O[C@H]1CC[C@@H](C1)NCF c6c7059618d4e33d5900ee26fab3e941 [0,1,0,1,0,0|2,0,0]=4 2249 B9R1.7 O[C@H]1CC[C@H](C1)NCF 872c2b7816d543208bcd00b853dc62ba [0,1,0,1,0,0|2,0,0]=4 2250 B9R1.8 C#CCN1CCCOC1 d56c0dea9eccc1f09275df59c1fcf0bd [0,1,0,1,0,0|1,0,1]=4 2251 B9R1.8 C#CCN1CCCSC1 db537ae4dbb45bfcd68325410a67ce91 [0,1,0,1,0,0|1,0,1]=4 2252 B9R1.8 C#CCN1CCOCC1 a0244d5175e5d68a72882d1e80afd1b0 [0,1,0,1,0,0|0,0,1]=3 2253 B9R1.8 C#CCN1CCSCC1 5c2707175150f7e3eccebeea43c3d62b [0,1,0,1,0,0|0,1,1]=4 2254 B9R1.8 C=CCN1CCCOC1 0d94609b61d76367df1116c2c47084db [0,1,0,1,0,0|1,0,1]=4 2255 B9R1.8 C=CCN1CCCSC1 2ce38f48adbaa4615b27a1536d50f38d [0,1,0,1,0,0|1,0,1]=4 2256 B9R1.8 C=CCN1CCOCC1 5e12b1389a0bfa406f9fef1b3c7d6b72 [0,1,0,1,0,0|0,0,1]=3 2257 B9R1.8 C=CCN1CCSCC1 f86f272d1730823b17a2fdbeebc0cfe0 [0,1,0,1,0,0|0,1,1]=4 2258 B9R1.8 CCCN1CC=CCC1 b2b2bdd1f884fc798a7998521a87c745 [0,1,0,1,0,0|1,0,1]=4 2259 B9R1.8 CCCN1CCCOC1 f24207267ec2bfd6a98a300d3d8157f4 [0,1,0,1,0,0|1,0,0]=3 2260 B9R1.8 CCCN1CCCSC1 fc4ecc758cc6d6867cee0458403a64c8 [0,1,0,1,0,0|1,0,0]=3 2261 B9R1.8 CCCN1CCOCC1 ce923e943381b09f8eaedf8907082db3 [0,1,0,1,0,0|0,0,0]=2 2262 B9R1.8 CCCN1CCSCC1 4159fc6666f36d84ca3e8db8e4c21218 [0,1,0,1,0,0|0,1,0]=3 2263 B9R1.8 CCNC1CCOCC1 c0daf1fa4c1e38e303ccc560bdf15914 [0,1,0,1,0,0|1,0,0]=3 2264 B9R1.8 CCNC1CCSCC1 e97705abb4309fae49cd9e4ef5264d02 [0,1,0,1,0,0|1,1,0]=4 2265 B9R1.8 CCOC1CCCCC1 42d86f4740ed23d8e061935637b3e037 [0,1,0,1,0,0|2,0,0]=4 2266 B9R1.8 CCOC1CCOCC1 fd86eef19d7eefde56e35a599458ddd0 [0,1,0,1,0,0|1,0,0]=3 2267 B9R1.8 CCOC1CCSCC1 45ac356b0a4faae19c54a0a24f086ac8 [0,1,0,1,0,0|1,1,0]=4 2268 B9R1.8 COCN1CC=CCC1 9249687bcd95f4a1b93320145fd8c758 [0,1,0,1,0,0|1,0,1]=4 2269 B9R1.8 COCN1CCCOC1 c364dc2d4494ac9786df7b2cf3053834 [0,1,0,1,0,0|2,0,0]=4 2270 B9R1.8 COCN1CCCSC1 ade41609d6d9d0ae5359727d2d09c1d2 [0,1,0,1,0,0|2,0,0]=4 2271 B9R1.8 COCN1CCOCC1 c13abf67c27d3b0d58ecf76fc746bd8c [0,1,0,1,0,0|0,0,0]=2 2272 B9R1.8 COCN1CCSCC1 308d36f4884a7cae506767190520e482 [0,1,0,1,0,0|0,1,0]=3 2273 B9R1.8 CSCN1CC=CCC1 9669bbb4c189280daf66252f3e686dcf [0,1,0,1,0,0|1,0,1]=4 2274 B9R1.8 CSCN1CCCOC1 5d666822a598b662553ba42c79846800 [0,1,0,1,0,0|2,0,0]=4 2275 B9R1.8 CSCN1CCCSC1 92b7d18ab9280ddae4edbc80e4e92b20 [0,1,0,1,0,0|2,0,0]=4 2276 B9R1.8 CSCN1CCOCC1 a15124004b0effc8b9f9c6d2bf6cb3e7 [0,1,0,1,0,0|0,0,0]=2 2277 B9R1.8 CSCN1CCSCC1 7cc6d0312657d80bd932a3c913c265e0 [0,1,0,1,0,0|0,1,0]=3 2278 B9R1.8 FCCN1CC=CCC1 3e24f89134e166a0eb2ba517fd309e1c [0,1,0,1,0,0|1,0,1]=4 2279 B9R1.8 FCCN1CCCOC1 cdaa695734e1d05f4de904e1f9eb02c3 [0,1,0,1,0,0|1,0,0]=3 2280 B9R1.8 FCCN1CCCSC1 2fa439fc229f0a5c8e065d0839f2975f [0,1,0,1,0,0|1,0,0]=3 2281 B9R1.8 FCCN1CCOCC1 b03bc8c540648ddec45038aa4eff6aca [0,1,0,1,0,0|0,0,0]=2 2282 B9R1.8 FCCN1CCSCC1 49d587c3af522aa7709b9a8e1ff584c5 [0,1,0,1,0,0|0,1,0]=3 2283 B9R1.8 FCNC1CCOCC1 ba60a822ee7005232d0aaafd9a732ce1 [0,1,0,1,0,0|2,0,0]=4 2284 B9R1.8 FCOC1CCOCC1 32bd0c6fa2569051ca2b8decf137b167 [0,1,0,1,0,0|2,0,0]=4 2285 B9R1.8 N#CCN1CCCOC1 519651101087b9c71734c27d967090d1 [0,1,0,1,0,0|1,0,1]=4 2286 B9R1.8 N#CCN1CCCSC1 e13157a823573b7bb428d0f7f8d98943 [0,1,0,1,0,0|1,0,1]=4 2287 B9R1.8 N#CCN1CCOCC1 1cddb15ca1a60fae17fd97982a55dbba [0,1,0,1,0,0|0,0,1]=3 2288 B9R1.8 N#CCN1CCSCC1 2be454fa8fba4fa4b59a9e869bc6faf4 [0,1,0,1,0,0|0,1,1]=4 2289 B9R1.8 O=CCN1CCCOC1 709ce0dcd7369ac00ecc2d178dc45731 [0,1,0,1,0,0|0,0,2]=4 2290 B9R1.8 O=CCN1CCCSC1 c444ef249aa1c28412dad52581423289 [0,1,0,1,0,0|0,0,2]=4 2291 B9R1.8 O=CCN1CCOCC1 778eddfbfb27d7c608e1655d14d4d3d5 [0,1,0,1,0,0|0,0,1]=3 2292 B9R1.8 O=CCN1CCSCC1 9430518bfe46cf3dbda46338d6c1da9e [0,1,0,1,0,0|0,0,2]=4 2293 B9R1.8 OCCN1CC=CCC1 7a44a46b1b0fb045c46a5db87a011f17 [0,1,0,1,0,0|0,0,1]=3 2294 B9R1.8 OCCN1CCCOC1 4ac1af6b96a772d2363a3a7688cf99c1 [0,1,0,1,0,0|0,0,0]=2 2295 B9R1.8 OCCN1CCCSC1 c915cd6e6e346c30a52467eaefc5a6d7 [0,1,0,1,0,0|0,0,0]=2 2296 B9R1.8 OCCN1CCOCC1 bd3b70c8eabe7926e6951762ed00cd39 [0,1,0,1,0,0|0,0,0]=2 2297 B9R1.8 OCCN1CCSCC1 105e4885fcc64634326d88bbbf357395 [0,1,0,1,0,0|0,0,0]=2 2298 B9R1.8 OCNC1CCCOC1 1e46b72657889f1bc5f310e94cc9c168 [0,1,0,1,0,0|2,0,0]=4 2299 B9R1.8 OCNC1CCOCC1 0f665587adf9b667221f2fa84d4b9472 [0,1,0,1,0,0|2,0,0]=4 2300 B9R1.8 OCNC1CCSCC1 db5b731037ba4687f84dee5964616de0 [0,1,0,1,0,0|2,0,0]=4 2301 B9R1.8 OCN[C@@H]1CCCOC1 c945eddb3482423f8ee44c5f8e36f316 [0,1,0,1,0,0|2,0,0]=4 2302 B9R1.8 OCN[C@H]1CCCOC1 ce9921cc8ee8caf462b02b7aa2785265 [0,1,0,1,0,0|2,0,0]=4 2303 B9R1.8 SCCN1CC=CCC1 ae736f572d46cea033f113c24bdc4458 [0,1,0,1,0,0|0,1,1]=4 2304 B9R1.8 SCCN1CCCOC1 893a8d975b9660a4e9697691e49955e0 [0,1,0,1,0,0|0,1,0]=3 2305 B9R1.8 SCCN1CCCSC1 6c0618df3699aef10411023df60f1f52 [0,1,0,1,0,0|0,1,0]=3 2306 B9R1.8 SCCN1CCOCC1 5e483fd2bc45964d9d3c4c3f5fb6b9ed [0,1,0,1,0,0|0,0,0]=2 2307 B9R1.8 SCCN1CCSCC1 513a8ea6c5034ae8855e27b1d304b5b2 [0,1,0,1,0,0|0,1,0]=3 2308 B9R1.23 CC1CN(CC1O)C=O e5049aa63a8e06f5e219ee239354308d [0,1,0,1,0,0|1,0,1]=4 2309 B9R1.23 CC1CN(CC1O)CF 5911cc3ee512a5a089346216a51d1259 [0,1,0,1,0,0|1,0,0]=3 2310 B9R1.23 CC1CN(CC1O)CO 02d531c410ac723580dd6a472d051502 [0,1,0,1,0,0|1,0,0]=3 2311 B9R1.23 CCN1CC(C(C1)Br)O 7a6ffb3f7cf99449f7d178de0dbeb629 [0,1,0,1,0,0|0,0,0]=2 2312 B9R1.23 CCN1CC(C(C1)O)C c9c9d5e6873216e0f55b0333b65c70fc [0,1,0,1,0,0|0,0,0]=2 2313 B9R1.23 CCN1C[C@@H]([C@H](C1)O)O de6798c95425c446e5071c30b8a01a56 [0,1,0,1,0,0|0,0,0]=2 2314 B9R1.23 CCN1C[C@H]([C@@H](C1)F)O f0b22bd8c47bb2a7bde3adb7a50ba5b0 [0,1,0,1,0,0|0,0,0]=2 2315 B9R1.23 CCN1C[C@H]([C@@H](C1)O)O d5f381b4961260bf8224485e1457aa81 [0,1,0,1,0,0|0,0,0]=2 2316 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 2e3b142959fc71d6a42284d936b3dab4 [0,1,0,1,0,0|0,0,0]=2 2317 B9R1.23 CCN1C[C@H]([C@H](C1)O)O 5c5b93b4e21e572f306ec90056a28c05 [0,1,0,1,0,0|0,0,0]=2 2318 B9R1.23 C[C@@H]1CN(C[C@@H]1O)C=O 96d5c42bedcd59c76259b00312f00664 [0,1,0,1,0,0|1,0,1]=4 2319 B9R1.23 C[C@@H]1CN(C[C@@H]1O)CF 554b537adb373f97f8743d2fb00303eb [0,1,0,1,0,0|1,0,0]=3 2320 B9R1.23 C[C@@H]1CN(C[C@@H]1O)CO c0d89957750bb2dc22e0f19dfa3b73c5 [0,1,0,1,0,0|1,0,0]=3 2321 B9R1.23 O=CN1CC(C(C1)Br)O 7a9b3f0baf1ec8898e5dda91681d8801 [0,1,0,1,0,0|1,0,1]=4 2322 B9R1.23 O=CN1C[C@@H]([C@H](C1)O)O f1f8443635e29a6a5f337cc881c33f14 [0,1,0,1,0,0|1,0,1]=4 2323 B9R1.23 O=CN1C[C@H]([C@@H](C1)F)O 680d418f97db34e32085e842e8567045 [0,1,0,1,0,0|1,0,1]=4 2324 B9R1.23 O=CN1C[C@H]([C@@H](C1)O)O 720a0b1a6f59cfaea3700e1da1c3a074 [0,1,0,1,0,0|1,0,1]=4 2325 B9R1.23 O=CN1C[C@H]([C@H](C1)O)O 7e365a2d05ab07e7fe3d993543cee4f5 [0,1,0,1,0,0|1,0,1]=4 2326 B9R1.23 OC1CN(CC1Br)CF 9a16d117fee4fe5ebf4aa7c2a90bc984 [0,1,0,1,0,0|1,0,0]=3 2327 B9R1.23 OCN1CC(C(C1)Br)O 4e9c9f2eeead4188eedc24bb4d8aec4b [0,1,0,1,0,0|1,0,0]=3 2328 B9R1.23 OCN1C[C@@H]([C@H](C1)O)O 96739964d95b39a608cee702f7697595 [0,1,0,1,0,0|1,0,0]=3 2329 B9R1.23 OCN1C[C@H]([C@@H](C1)F)O f7336df2bf411186d537595c2d961dc4 [0,1,0,1,0,0|1,0,0]=3 2330 B9R1.23 OCN1C[C@H]([C@@H](C1)O)O 47702099173f1ef5ea36e2188664e603 [0,1,0,1,0,0|1,0,0]=3 2331 B9R1.23 OCN1C[C@H]([C@H](C1)O)O 1cfb6e3bc0b8fba44376ac3d04c7adc9 [0,1,0,1,0,0|1,0,0]=3 2332 B9R1.23 O[C@@H]1CN(C[C@@H]1O)CF 48d84ab013c91aa876ef325c1cac06da [0,1,0,1,0,0|1,0,0]=3 2333 B9R1.23 O[C@@H]1CN(C[C@H]1F)CF 2b62588257ed832105e7a133eed9b7c1 [0,1,0,1,0,0|1,0,0]=3 2334 B9R1.23 O[C@@H]1CN(C[C@H]1O)CF d59e24d9785aab4d26e37aa857cb8450 [0,1,0,1,0,0|1,0,0]=3 2335 B9R1.23 O[C@H]1CN(C[C@@H]1O)CF 11520cd6edc0fef03133295354dfc08f [0,1,0,1,0,0|1,0,0]=3 2336 B9R1.175 CCC1(CCC1)NCO 54feecb29786b77089dac47e2d464b23 [0,1,0,1,0,0|2,0,0]=4 2337 B9R1.175 CCC1(COC1)NCO b9c67fb4c27d6fe70a49fac3598f4243 [0,1,0,1,0,0|2,0,0]=4 2338 B9R1.175 CCNC1(CCC1)CC cb255d47b88014180f0f9e2dfffc6501 [0,1,0,1,0,0|2,0,0]=4 2339 B9R1.182 CCCC1(CC1)NCC d56898f90c8c44b5f6c6ead441d96dbb [0,1,0,1,0,0|2,0,0]=4 2340 B9R1.182 CCCC1(CC1)NCO ac90a97d03b6662f648b7f1602318f61 [0,1,0,1,0,0|2,0,0]=4 2341 B9R1.182 CCNC1(CC1)CCO 371354b8f29861b1286d0bcb4625605a [0,1,0,1,0,0|1,0,0]=3 2342 B9R1.182 COCC1(CC1)NCO 2a2ab9ae666338e190cd8563c32b98fe [0,1,0,1,0,0|2,0,0]=4 2343 B9R1.182 OCCC1(CC1)NCF 05d75895bbb3efc69920bcb0c49b8569 [0,1,0,1,0,0|2,0,0]=4 2344 B9R1.182 OCCC1(CC1)NCO 29824995844594bbd6d5576667821ced [0,1,0,1,0,0|2,0,0]=4 2345 B9R1.134 CC1(CCCC1)NCO ff39442060a58eb613376b43d3f85b34 [0,1,0,1,0,0|2,0,0]=4 2346 B9R2.47 CCN1CC2CC2C1 25ae7fd177c6a619ed6164ece7e8af76 [0,0,0,2,0,0|1,0,0]=3 2347 B9R2.47 FCN1CC2CC2C1 381dc7f7c3dd099e7605a6eb8cc5e79d [0,0,0,2,0,0|2,0,0]=4 2348 B9R2.47 OCN1CC2CC2C1 7f16e421cd39bf318fbc714ca9cd9da3 [0,0,0,2,0,0|2,0,0]=4 2349 B9R2.59 CCN1CC2CC1C2 ee765b06f59070747fece8dfd8cff290 [0,0,0,2,0,0|1,0,0]=3 2350 B9R2.59 FCN1CC2CC1C2 a46005c7fdf1e038370c533b00d8e940 [0,0,0,2,0,0|2,0,0]=4 2351 B9R2.59 OCN1CC2CC1C2 b760016fdeb3a610e8b597e7640e4217 [0,0,0,2,0,0|2,0,0]=4 2352 B9R2.70 CCN1CCC2C1C2 66d424168df4e7add8984d95d79b979b [0,0,0,2,0,0|1,0,0]=3 2353 B9R2.70 FCN1CCC2C1C2 ccb9d4f4ae8483c628f52a8b2a94c2be [0,0,0,2,0,0|2,0,0]=4 2354 B9R2.70 OCN1CCC2C1C2 ce192980a14c1f557ad7d784c55e2315 [0,0,0,2,0,0|2,0,0]=4 2355 B9R2.65 CCN1C2C1CCC2 305e132c1644b79dc8fa8512b5e08859 [0,0,0,2,0,0|1,0,0]=3 2356 B9R2.65 FCN1C2C1CCC2 cfb10e0381449f3dfd829c7521c0f431 [0,0,0,2,0,0|2,0,0]=4 2357 B9R2.65 OCN1C2C1CCC2 32cf0761919225ef1634d9ee19fdf48b [0,0,0,2,0,0|2,0,0]=4 2358 B9R2.2 C1CN(CS1)C2CC2 5c35b7bd38bd03c1a0f320ffc78fb355 [0,0,0,2,0,0|2,0,0]=4