0 B8R1.1 CCN1CCC(C1)C c5b0c6261615cc6c7323d9c48f305770 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 CCN1CCC(C1)F 8d301cd853ecef6fb4279b0612590591 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.1 CCN1CCC(C1)O 1fbe07547593a6faa177084d503fc6f1 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.1 CCN1CCN(C1)C aae264a06453d9ff404065937fbf2180 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 CCN1CC[C@@H](C1)F 45d2c8580b418f04d6df20f8ae6a7937 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.1 CCN1CC[C@@H](C1)O 70cbbe96f459a233588b5761b6688faa [0,0,0,0,0,0|2,0,2]=4 6 B8R1.1 CCN1CC[C@H](C1)F 4c21ca896f7eba6f6ebed5cb028fb6fe [0,0,0,0,0,0|3,0,1]=4 7 B8R1.1 CCN1CC[C@H](C1)O 8caeefff584b981372b55b1e6e9f82dc [0,0,0,0,0,0|2,0,2]=4 8 B8R1.1 CCN1CNC(=O)C1 58009d6dfded7497e427ac45a5ff5413 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.1 O=C1CN(CN1)CF f13f56dc757cd85272f424d9ac53fbce [0,0,0,0,0,0|4,0,0]=4 10 B8R1.1 O=C1CN(CN1)CO e561a9f6a1ffe109b2b8eed70763223f [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 CCN1CC=CC1 6c4c19a4974c3e71b2e06f869bc9eb5b [1,0,0,0,0,0|2,0,1]=4 12 B7R1.1 CCN1CCSC1 730634b8317de27b8a9a28fdabe291cf [1,0,0,0,0,0|3,0,0]=4 13 B9R1.7 CCCN1CNC(=O)C1 3c5d5a0187668e5f708d17c495c62e95 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.7 CCNC1CCC(C1)C 547849e139f726d1547850686dbabf59 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.7 CCNC1CCC(C1)O 628356fc89e19ef9e05dade55232a5bb [0,1,0,0,0,0|1,0,2]=4 16 B9R1.7 CCNC1CCN(C1)C 98e716c89117cdd33fb2118616624dd2 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.7 CCNC1CNC(=O)C1 f034b1c0e5aa31eff338453bd1cde7f9 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.7 CCN[C@@H]1CCN(C1)C 68e58a5926e024da5b3e286634965cd1 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.7 CCN[C@@H]1CC[C@@H](C1)O 7c8c53e111793be80ad4cc673241d07f [0,1,0,0,0,0|1,0,2]=4 20 B9R1.7 CCN[C@@H]1CC[C@H](C1)O ff712e2d7c8949b18071ff107f2beb24 [0,1,0,0,0,0|1,0,2]=4 21 B9R1.7 CCN[C@@H]1CNC(=O)C1 53d087e66deab9a5a56ba2147c98eebb [0,1,0,0,0,0|2,0,0]=3 22 B9R1.7 CCN[C@H]1CCN(C1)C b54722705533d3c0d10a14cdbf455a84 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.7 CCN[C@H]1CC[C@@H](C1)O 2a978cf4fc6aa50fa68ee6171c076414 [0,1,0,0,0,0|1,0,2]=4 24 B9R1.7 CCN[C@H]1CC[C@H](C1)O 32fb3339fe7260cc6eb8ef4293a46d46 [0,1,0,0,0,0|1,0,2]=4 25 B9R1.7 CCN[C@H]1CNC(=O)C1 a0f226362b35f34e32c6ff7f460edeb1 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.7 CCOC1=CC(=O)CC1 48a7469ac82c40a0eca1f40d8071b6ec [0,1,0,0,0,0|1,0,1]=3 27 B9R1.7 CCOC1=CC(=O)NC1 d2d38753aca462f29461e24c45530e80 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.7 CCOC1C=CC(=O)C1 cf7dcc6d5bb52c2dbe964e53d7a14001 [0,1,0,0,0,0|1,0,2]=4 29 B9R1.7 CCOC1C=CC(=O)O1 29891b23a7e06859f351008a27b82b00 [0,1,0,0,0,0|0,0,2]=3 30 B9R1.7 CCOC1CCC(=O)C1 20f868b46959ea3477a4c5711e7faca7 [0,1,0,0,0,0|1,0,0]=2 31 B9R1.7 CCOC1CCC(C1)C 2e79cb3e7d53d70b7a3a49594f9b7572 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.7 CCOC1CCC(C1)F cb7366f0f3c88496c0dd299220151677 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.7 CCOC1CCN(C1)C 822648a9745b5cf76e89527be37e6a98 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.7 CCOC1CNC(=O)C1 5dfdd0a06ecc1692efd79633b6c9fdb4 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.7 CCOC1COC(=O)C1 a14609c36cb4911f4d4f0326be24482c [0,1,0,0,0,0|2,0,0]=3 36 B9R1.7 CCO[C@@H]1CCN(C1)C f59cd89bd8c0aac7811819bada908c4c [0,1,0,0,0,0|3,0,0]=4 37 B9R1.7 CCO[C@@H]1CNC(=O)C1 a15700fb6c9d37d8c11af797ede2320b [0,1,0,0,0,0|2,0,0]=3 38 B9R1.7 CCO[C@@H]1COC(=O)C1 f08fd85a64aaf6d51d762bf437e965d8 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.7 CCO[C@H]1C=CC(=O)C1 b0e331b85aadab1f09429088fdf1cc58 [0,1,0,0,0,0|1,0,2]=4 40 B9R1.7 CCO[C@H]1CCN(C1)C 0c4435a71f223a74de6762fb6f609302 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.7 CCO[C@H]1CNC(=O)C1 442cd5fabba5f8376815e4dbe7155a78 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.7 CCO[C@H]1COC(=O)C1 b5b6c1c9b0e94e583c1e7d2706c4af7c [0,1,0,0,0,0|2,0,0]=3 43 B9R1.7 COCN1CNC(=O)C1 4d18d6941c5616557bae4715cf80a3fe [0,1,0,0,0,0|3,0,0]=4 44 B9R1.7 CSCN1CNC(=O)C1 8211b253328c1403ea89b1b99e3beec2 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.7 O=C1C=CC(O1)OCF 854166bbbf25e5d5b8db2221f93769c5 [0,1,0,0,0,0|1,0,2]=4 46 B9R1.7 O=C1CC(CN1)NCF 980988dcb4ccee82cda1dab38be331e2 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.7 O=C1CC(CN1)NCO c052098805d668d6f4ada358e57e4112 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.7 O=C1CC(CN1)OCF 23b0d8d04434c7a4a01cc694371532a0 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.7 O=C1CC(CO1)OCF 6ccdee68b23c369d52f71b4fd0fa7d68 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.7 O=C1CCC(C1)OCF 98c190e459e55f64b9e25e39bcd16a19 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.7 O=C1CN(CN1)CCF d757934cfea094780b56173421a0001f [0,1,0,0,0,0|3,0,0]=4 52 B9R1.7 O=C1CN(CN1)CCO 7dd773ba31e78145aab267af7b35d02f [0,1,0,0,0,0|3,0,0]=4 53 B9R1.7 O=C1CN(CN1)CCS 843303fed7901f842425d8bab177d005 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.7 O=C1C[C@@H](CN1)NCF 411e6e79f87d54e44a2955c578af83cf [0,1,0,0,0,0|3,0,0]=4 55 B9R1.7 O=C1C[C@@H](CN1)NCO b284e47e22d89750e99df8321f442760 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.7 O=C1C[C@@H](CN1)OCF 6723427409ff1f842102a48ad1f1d075 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.7 O=C1C[C@@H](CO1)OCF 51d79eb5dd5903751f5c379bd3b2cb3a [0,1,0,0,0,0|3,0,0]=4 58 B9R1.7 O=C1C[C@H](CN1)NCF cd4abacc4820bcd0298dba28188d9f98 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.7 O=C1C[C@H](CN1)NCO 5fed0c6db4b7f4ec518dffff77ba236f [0,1,0,0,0,0|3,0,0]=4 60 B9R1.7 O=C1C[C@H](CN1)OCF ef977050908cc65ab7cc2785915cf0cb [0,1,0,0,0,0|3,0,0]=4 61 B9R1.7 O=C1C[C@H](CO1)OCF f528bbda1523620d35f6549c89ffa164 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.21 CCC1CCN(C1)C=O 511eb19254d8c6b5ffcb350a73123905 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.21 CCC1CCN(C1)CC 6f51d89a5d35c064542820e6670e33cf [0,1,0,0,0,0|3,0,0]=4 64 B9R1.21 CCC1CCN(C1)CF 8726fda051d18f41fbf67e58222ca328 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.21 CCC1CCN(C1)CO d6731118e4ffc5593845df2f4ad3ee35 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.21 COC1CCN(C1)C=O eb1635d26f811d0395c1eac377e68acf [0,1,0,0,0,0|3,0,0]=4 67 B9R1.21 CO[C@@H]1CCN(C1)C=O baabae39a3b9d32bd95572af9b467d63 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.21 CO[C@H]1CCN(C1)C=O 1345142eebbefb838f95222c23ecea5c [0,1,0,0,0,0|3,0,0]=4 69 B9R1.21 O=CN1CCC(C1)CO 2a5ff912131a40733d604404f5dbc6a9 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.21 O=CN1CC[C@@H](C1)CO 1b5e86f32647c6df6e45e506df19b6c8 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.21 O=CN1CC[C@H](C1)CO c9a78c1ce4394e71f3a66edb1c5981a4 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.22 CCN1CC(=O)SC1S 37ca21c1e1816bfa530b6bbf2b2eaad2 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.35 CC(C)N1CNC(=O)C1 df3ce712d6a54b3ff1bfa9ba9b4c87dc [0,1,0,0,0,0|3,0,0]=4 74 B7R0.2 C#CC(C)NC(=O)C 30a91f9e689320cab67e7176279a027a [0,0,1,0,0,0|1,0,2]=4 75 B7R0.2 C#C[C@@H](C)NC(=O)C b5f4cb4c2ca82f0d4e132f2977db08a6 [0,0,1,0,0,0|1,0,2]=4 76 B7R0.2 C#C[C@H](C)NC(=O)C adfc3d71c946a289355ab55f3775ec5f [0,0,1,0,0,0|1,0,2]=4 77 B7R0.2 C=C(C)CN(C)CC f46aa4737385fde5ecca127cfe0fb11b [0,0,1,0,0,0|3,0,0]=4 78 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,0,1,0,0,0|1,0,2]=4 79 B7R0.2 CC(=O)NC(C)C#N 5c82a898464bc97e12136e75988ac4b5 [0,0,1,0,0,0|2,0,1]=4 80 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,0,1,0,0,0|2,0,0]=3 81 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,0,1,0,0,0|2,0,0]=3 82 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,0,1,0,0,0|2,0,0]=3 83 B7R0.2 CC(C)OC(C)CF 4c1a23ea77490e2b6e1f5f1f7c7a9ead [0,0,1,0,0,0|2,0,1]=4 84 B7R0.2 CC(C)OC(C)CS f89a38446eb00d60fe9fa60b597f2b73 [0,0,1,0,0,0|2,0,1]=4 85 B7R0.2 CC(C)O[C@H](C)CS 75e7bc7c54e109d0d519f886fee3300f [0,0,1,0,0,0|2,0,1]=4 86 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,0,1,0,0,0|1,0,0]=2 87 B7R0.2 CCC(C)NC(C)C 0cb605662148972b343a2865e41d2f95 [0,0,1,0,0,0|2,0,1]=4 88 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [0,0,1,0,0,0|1,0,1]=3 89 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [0,0,1,0,0,0|3,0,0]=4 90 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [0,0,1,0,0,0|3,0,0]=4 91 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,0,1,0,0,0|1,0,0]=2 92 B7R0.2 CC[C@@H](C)NC(C)C fbd46dfde63f10a9f545bd04d72d3565 [0,0,1,0,0,0|2,0,1]=4 93 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [0,0,1,0,0,0|1,0,1]=3 94 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,0,1,0,0,0|1,0,0]=2 95 B7R0.2 CC[C@H](C)NC(C)C df85b8e0c4ded03d149c43327f4a7c4a [0,0,1,0,0,0|2,0,1]=4 96 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [0,0,1,0,0,0|1,0,1]=3 97 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,0,1,0,0,0|1,0,2]=4 98 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [0,0,1,0,0,0|1,0,2]=4 99 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,0,1,0,0,0|2,0,1]=4 100 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,0,1,0,0,0|1,0,2]=4 101 B7R0.3 C=CC(O)CNC=O f2c9977b6c02b5fa6463f931ed217f56 [0,0,1,0,0,0|1,0,2]=4 102 B7R0.3 C=CCCN(C)CC 224a5773b1b84beacfc8f44066799c60 [0,0,1,0,0,0|3,0,0]=4 103 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [0,0,1,0,0,0|3,0,0]=4 104 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [0,0,1,0,0,0|3,0,0]=4 105 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [0,0,1,0,0,0|3,0,0]=4 106 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [0,0,1,0,0,0|3,0,0]=4 107 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [0,0,1,0,0,0|3,0,0]=4 108 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [0,0,1,0,0,0|3,0,0]=4 109 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [0,0,1,0,0,0|3,0,0]=4 110 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [0,0,1,0,0,0|3,0,0]=4 111 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [0,0,1,0,0,0|3,0,0]=4 112 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [0,0,1,0,0,0|3,0,0]=4 113 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,0,1,0,0,0|3,0,0]=4 114 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [0,0,1,0,0,0|2,0,1]=4 115 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,0,1,0,0,0|2,0,0]=3 116 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,0,1,0,0,0|2,0,0]=3 117 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,0,1,0,0,0|2,0,0]=3 118 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,0,1,0,0,0|2,0,0]=3 119 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,0,1,0,0,0|2,0,0]=3 120 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [0,0,1,0,0,0|2,0,0]=3 121 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [0,0,1,0,0,0|2,0,0]=3 122 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [0,0,1,0,0,0|2,0,0]=3 123 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,0,1,0,0,0|2,0,1]=4 124 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,0,1,0,0,0|2,0,1]=4 125 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,0,1,0,0,0|2,0,1]=4 126 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,0,1,0,0,0|2,0,1]=4 127 B7R0.3 CCC(O)CNC#N 812e6acb20ff52259cbcafc7e21eafbc [0,0,1,0,0,0|2,0,1]=4 128 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [0,0,1,0,0,0|1,0,0]=2 129 B7R0.3 CCC(O)CNCF 7b1de8624516487080ebd1a2aadc352e [0,0,1,0,0,0|2,0,1]=4 130 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [0,0,1,0,0,0|1,0,2]=4 131 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [0,0,1,0,0,0|3,0,0]=4 132 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,0,1,0,0,0|2,0,1]=4 133 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,0,1,0,0,0|1,0,0]=2 134 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,0,1,0,0,0|2,0,0]=3 135 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,0,1,0,0,0|2,0,0]=3 136 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,0,1,0,0,0|2,0,0]=3 137 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,0,1,0,0,0|2,0,1]=4 138 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,0,1,0,0,0|2,0,1]=4 139 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,0,1,0,0,0|2,0,1]=4 140 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,0,1,0,0,0|1,0,1]=3 141 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [0,0,1,0,0,0|2,0,1]=4 142 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [0,0,1,0,0,0|2,0,1]=4 143 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,0,1,0,0,0|1,0,1]=3 144 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,0,1,0,0,0|1,0,1]=3 145 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [0,0,1,0,0,0|2,0,1]=4 146 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [0,0,1,0,0,0|2,0,0]=3 147 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,0,1,0,0,0|3,0,0]=4 148 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,0,1,0,0,0|3,0,0]=4 149 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [0,0,1,0,0,0|2,0,1]=4 150 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [0,0,1,0,0,0|2,0,1]=4 151 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,0,1,0,0,0|2,0,0]=3 152 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,0,1,0,0,0|3,0,0]=4 153 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,0,1,0,0,0|3,0,0]=4 154 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [0,0,1,0,0,0|2,0,0]=3 155 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [0,0,1,0,0,0|2,0,0]=3 156 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,0,1,0,0,0|2,0,1]=4 157 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,0,1,0,0,0|2,0,1]=4 158 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,0,1,0,0,0|2,0,1]=4 159 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,0,1,0,0,0|2,0,1]=4 160 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [0,0,1,0,0,0|1,0,0]=2 161 B7R0.3 CC[C@@H](O)CNCF 7d1b814c6cda97ec1056049a0891a12c [0,0,1,0,0,0|2,0,1]=4 162 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [0,0,1,0,0,0|1,0,2]=4 163 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [0,0,1,0,0,0|2,0,0]=3 164 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [0,0,1,0,0,0|2,0,0]=3 165 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [0,0,1,0,0,0|2,0,0]=3 166 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,0,1,0,0,0|2,0,1]=4 167 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,0,1,0,0,0|2,0,1]=4 168 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,0,1,0,0,0|2,0,1]=4 169 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,0,1,0,0,0|2,0,1]=4 170 B7R0.3 CO[C@@H](C)CNC=O cbdf409ea735afb7a574d69375fb28db [0,0,1,0,0,0|3,0,0]=4 171 B7R0.3 CO[C@H](C)CNC=O 943b01dc3bd1c6157c7dfb62f870e0a6 [0,0,1,0,0,0|3,0,0]=4 172 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [0,0,1,0,0,0|3,0,0]=4 173 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [0,0,1,0,0,0|3,0,0]=4 174 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [0,0,1,0,0,0|3,0,0]=4 175 B7R0.3 C[C@H](CS)OCC=O 54b8c633a4f5d8e7a615987326df81f2 [0,0,1,0,0,0|3,0,0]=4 176 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,0,1,0,0,0|3,0,0]=4 177 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,0,1,0,0,0|3,0,0]=4 178 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,0,1,0,0,0|3,0,0]=4 179 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,0,1,0,0,0|3,0,0]=4 180 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,0,1,0,0,0|3,0,0]=4 181 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,0,1,0,0,0|3,0,0]=4 182 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,0,1,0,0,0|3,0,0]=4 183 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,0,1,0,0,0|3,0,0]=4 184 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,0,1,0,0,0|3,0,0]=4 185 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,0,1,0,0,0|3,0,0]=4 186 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,0,1,0,0,0|3,0,0]=4 187 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,0,1,0,0,0|3,0,0]=4 188 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,0,1,0,0,0|3,0,0]=4 189 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,0,1,0,0,0|3,0,0]=4 190 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,0,1,0,0,0|3,0,0]=4 191 B7R0.3 O=CNCC(Br)CBr 93597cc22f25c51d1dc8b5845ef56682 [0,0,1,0,0,0|3,0,0]=4 192 B7R0.3 O=CNCC(F)CO 20b10b91868850c2fa4696a502438329 [0,0,1,0,0,0|3,0,0]=4 193 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [0,0,1,0,0,0|2,0,0]=3 194 B7R0.3 O=CNC[C@@H](F)CO fe3e6de1ebe35bf08c36352dbce26e10 [0,0,1,0,0,0|3,0,0]=4 195 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [0,0,1,0,0,0|2,0,0]=3 196 B7R0.3 O=CNC[C@H](F)CO 22ed73e19a0bc3d8fec3d0ab621da9c9 [0,0,1,0,0,0|3,0,0]=4 197 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [0,0,1,0,0,0|2,0,0]=3 198 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [0,0,1,0,0,0|1,0,2]=4 199 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [0,0,1,0,0,0|1,0,2]=4 200 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [0,0,1,0,0,0|3,0,0]=4 201 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [0,0,1,0,0,0|3,0,0]=4 202 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [0,0,1,0,0,0|3,0,0]=4 203 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,0,1,0,0,0|3,0,0]=4 204 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,0,1,0,0,0|3,0,0]=4 205 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,0,1,0,0,0|3,0,0]=4 206 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,0,1,0,0,0|3,0,0]=4 207 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [0,0,1,0,0,0|3,0,0]=4 208 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [0,0,1,0,0,0|3,0,0]=4 209 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [0,0,1,0,0,0|3,0,0]=4 210 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [0,0,1,0,0,0|3,0,0]=4 211 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [0,0,1,0,0,0|3,0,0]=4 212 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [0,0,1,0,0,0|1,0,2]=4 213 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [0,0,1,0,0,0|1,0,2]=4 214 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,0,1,0,0,0|3,0,0]=4 215 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,0,1,0,0,0|3,0,0]=4 216 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,0,1,0,0,0|3,0,0]=4 217 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,0,1,0,0,0|3,0,0]=4 218 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,0,1,0,0,0|3,0,0]=4 219 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,0,1,0,0,0|3,0,0]=4 220 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,0,1,0,0,0|3,0,0]=4 221 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,0,1,0,0,0|3,0,0]=4 222 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,0,1,0,0,0|2,0,0]=3 223 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,0,1,0,0,0|2,0,0]=3 224 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,0,1,0,0,0|2,0,0]=3 225 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,0,1,0,0,0|1,0,0]=2 226 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [0,0,1,0,0,0|2,0,1]=4 227 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [0,0,1,0,0,0|2,0,1]=4 228 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [0,0,1,0,0,0|2,0,1]=4 229 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [0,0,1,0,0,0|2,0,1]=4 230 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,0,1,0,0,0|2,0,0]=3 231 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,0,1,0,0,0|2,0,0]=3 232 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,0,1,0,0,0|1,0,0]=2 233 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [0,0,1,0,0,0|2,1,0]=4 234 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [0,0,1,0,0,0|2,0,0]=3 235 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [0,0,1,0,0,0|2,0,1]=4 236 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,0,1,0,0,0|2,0,0]=3 237 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,0,1,0,0,0|1,0,0]=2 238 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [0,0,1,0,0,0|2,1,0]=4 239 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [0,0,1,0,0,0|2,0,1]=4 240 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [0,0,1,0,0,0|3,0,0]=4 241 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [0,0,1,0,0,0|2,0,0]=3 242 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [0,0,1,0,0,0|2,0,1]=4 243 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [0,0,1,0,0,0|2,0,1]=4 244 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,0,1,0,0,0|2,0,0]=3 245 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,0,1,0,0,0|2,0,0]=3 246 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,0,1,0,0,0|1,0,0]=2 247 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,0,1,0,0,0|3,0,0]=4 248 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [0,0,1,0,0,0|2,0,1]=4 249 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [0,0,1,0,0,0|3,0,0]=4 250 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [0,0,1,0,0,0|3,0,0]=4 251 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [0,0,1,0,0,0|3,0,0]=4 252 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,0,1,0,0,0|3,0,0]=4 253 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [0,0,1,0,0,0|3,0,0]=4 254 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,0,1,0,0,0|2,0,0]=3 255 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,0,1,0,0,0|3,0,0]=4 256 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [0,0,1,0,0,0|3,0,0]=4 257 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,0,1,0,0,0|2,0,0]=3 258 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [0,0,1,0,0,0|3,0,0]=4 259 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,0,1,0,0,0|3,0,0]=4 260 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,0,1,0,0,0|3,0,0]=4 261 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,0,1,0,0,0|3,0,0]=4 262 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,0,1,0,0,0|2,0,0]=3 263 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,0,1,0,0,0|3,0,0]=4 264 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,0,1,0,0,0|3,0,0]=4 265 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,0,1,0,0,0|2,0,0]=3 266 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [0,0,1,0,0,0|3,0,0]=4 267 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [0,0,1,0,0,0|2,0,1]=4 268 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [0,0,1,0,0,0|2,0,1]=4 269 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [0,0,1,0,0,0|2,0,1]=4 270 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,0,1,0,0,0|3,0,0]=4 271 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,0,1,0,0,0|3,0,0]=4 272 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,0,1,0,0,0|3,0,0]=4 273 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,0,1,0,0,0|3,0,0]=4 274 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,0,1,0,0,0|3,0,0]=4 275 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,0,1,0,0,0|3,0,0]=4 276 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,0,1,0,0,0|3,0,0]=4 277 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,0,1,0,0,0|3,0,0]=4 278 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [0,0,1,0,0,0|3,0,0]=4 279 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [0,0,1,0,0,0|3,0,0]=4 280 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,0,1,0,0,0|2,0,0]=3 281 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,0,1,0,0,0|2,0,0]=3 282 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,0,1,0,0,0|2,0,0]=3 283 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,0,1,0,0,0|2,0,0]=3 284 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,0,1,0,0,0|2,0,0]=3 285 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,0,1,0,0,0|2,0,0]=3 286 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,0,1,0,0,0|2,0,0]=3 287 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,0,1,0,0,0|2,0,0]=3 288 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,0,1,0,0,0|2,0,0]=3 289 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,0,1,0,0,0|2,0,0]=3 290 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [0,0,1,0,0,0|2,0,1]=4 291 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [0,0,1,0,0,0|2,0,1]=4 292 B7R0.4 O=S(O)CCNCF 5944b9373ff00d58b6529129c165d8a2 [0,0,1,0,0,0|3,0,0]=4 293 B7R0.4 O=S(O)CCNCO fb9e10441f05965bf0dcfe0aab296669 [0,0,1,0,0,0|3,0,0]=4 294 B7R0.4 O=S(O)COCCF c36497384bf0c1557cb58aa4b3a78d7a [0,0,1,0,0,0|3,0,0]=4 295 B7R0.4 O=S(O)COCCS 210a74b93542982df908b08eade068db [0,0,1,0,0,0|3,0,0]=4 296 B7R0.12 CCC(CC)NC#N 656055097bc6f06330a152946e9b48af [0,0,1,0,0,0|2,0,1]=4 297 B7R0.12 CCC(CC)NC=O 4175bd0bc40e9e83245363507b336b46 [0,0,1,0,0,0|1,0,0]=2 298 B7R0.12 CCC(CC)NCF 3d9bfd0de6efff0c7eb71abdfe1f3338 [0,0,1,0,0,0|2,0,1]=4 299 B7R0.12 CCC(CC)NCO 63242e3a6c349fa4dc8099f989675ea6 [0,0,1,0,0,0|1,0,2]=4 300 B7R0.12 CCC(CC)OCF 636355b0b109acffc3ac81270024a401 [0,0,1,0,0,0|1,0,1]=3 301 B7R0.12 CCC(CO)NC=O 742cd9cb7df8523077fcd6bd9de1d480 [0,0,1,0,0,0|2,0,0]=3 302 B7R0.12 CCNC(CC)CC dd1a7011b4f855f8c1ad87e5ad908f9a [0,0,1,0,0,0|2,0,1]=4 303 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [0,0,1,0,0,0|1,0,1]=3 304 B7R0.12 CC[C@@H](CO)NC=O 637c953e48cb45b4be088640a9f26fb2 [0,0,1,0,0,0|2,0,0]=3 305 B7R0.12 CC[C@H](CO)NC=O c5c2fc5e70a5e94955887b0f6db6a1a2 [0,0,1,0,0,0|2,0,0]=3 306 B7R0.12 O=CNC(CO)CO cf9304986c9a1419edf6773dbe4f0207 [0,0,1,0,0,0|3,0,0]=4 307 B9R1.1 CCN1CC=C(CC1)Br f13eef64baa3f192becc16ff7336bfe3 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.2 CCN1CCCC(=O)C1 b0afeee675d5ec52ec51d9d2cdcf36a5 [0,0,0,0,0,1|2,0,0]=3 309 B9R1.2 CCN1CCNC(=O)C1 8ee087b200f253c3cbe099e9fc72a94a [0,0,0,0,0,1|2,0,0]=3 310 B9R1.2 CCN1CCOC(=O)C1 3f4941c9ffb61ce7dcae55397d747220 [0,0,0,0,0,1|2,0,0]=3 311 B9R1.2 O=C1CCCN(C1)CF 4a3aadad28924fa951595c84af73b014 [0,0,0,0,0,1|3,0,0]=4 312 B9R1.2 O=C1CCCN(C1)CO 6d0678682a57a081022f992f70f98004 [0,0,0,0,0,1|3,0,0]=4 313 B9R1.2 O=C1CN(CCN1)CF 5bafb41e77e8fcc47f20b3f5b7855411 [0,0,0,0,0,1|3,0,0]=4 314 B9R1.2 O=C1CN(CCN1)CO 0ce2c3b0e7d808508a34999d9467140c [0,0,0,0,0,1|3,0,0]=4 315 B9R1.2 O=C1CN(CCO1)CF c923694c0bf9f6f1496b855a5b8b01b2 [0,0,0,0,0,1|3,0,0]=4 316 B9R1.2 O=C1CN(CCO1)CO 8db94e8adcec68c019e224a8c72e73db [0,0,0,0,0,1|3,0,0]=4 317 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [1,0,1,0,0,0|2,0,0]=4 318 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [1,0,1,0,0,0|1,0,0]=3 319 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [1,0,1,0,0,0|1,0,1]=4 320 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,0,1,0,0,0|2,0,0]=4 321 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [1,0,1,0,0,0|2,0,0]=4 322 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [1,0,1,0,0,0|1,0,1]=4 323 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [1,0,1,0,0,0|1,0,1]=4 324 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [1,0,1,0,0,0|1,0,1]=4 325 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [1,0,1,0,0,0|0,0,1]=3 326 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [1,0,1,0,0,0|1,0,1]=4 327 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [1,0,1,0,0,0|1,0,1]=4 328 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [1,0,1,0,0,0|0,0,1]=3 329 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [1,0,1,0,0,0|0,0,1]=3 330 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [1,0,1,0,0,0|1,0,1]=4 331 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [1,0,1,0,0,0|1,0,0]=3 332 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [1,0,1,0,0,0|1,0,1]=4 333 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [1,0,1,0,0,0|1,0,0]=3 334 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [1,0,1,0,0,0|1,0,1]=4 335 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [1,0,1,0,0,0|2,0,0]=4 336 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [1,0,1,0,0,0|2,0,0]=4 337 B6R0.2 CC(C)OC(C)C ca12c9680239690a47d96d71519e9e05 [1,0,1,0,0,0|1,0,1]=4 338 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,0,1,0,0,0|2,0,0]=4 339 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,0,1,0,0,0|2,0,0]=4 340 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,0,1,0,0,0|2,0,0]=4 341 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,0,1,0,0,0|2,0,0]=4 342 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,0,1,0,0,0|2,0,0]=4 343 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [1,0,1,0,0,0|2,0,0]=4 344 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [1,0,1,0,0,0|2,0,0]=4 345 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [1,0,1,0,0,0|1,0,0]=3 346 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,0,1,0,0,0|1,0,0]=3 347 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,0,1,0,0,0|1,0,1]=4 348 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,0,1,0,0,0|2,0,0]=4 349 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,0,1,0,0,0|2,0,0]=4 350 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,0,1,0,0,0|1,0,0]=3 351 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,1,0,0,0|2,0,0]=4 352 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,0,1,0,0,0|2,0,0]=4 353 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,0,1,0,0,0|1,0,0]=3 354 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,0,1,0,0,0|2,0,0]=4 355 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [1,0,1,0,0,0|1,0,0]=3 356 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [1,0,1,0,0,0|1,0,0]=3 357 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,0,1,0,0,0|2,0,0]=4 358 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,0,1,0,0,0|2,0,0]=4 359 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,0,1,0,0,0|2,0,0]=4 360 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,0,1,0,0,0|2,0,0]=4 361 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,0,1,0,0,0|2,0,0]=4 362 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,0,1,0,0,0|2,0,0]=4 363 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,0,1,0,0,0|2,0,0]=4 364 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,0,1,0,0,0|1,0,0]=3 365 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,0,1,0,0,0|2,0,0]=4 366 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [1,0,1,0,0,0|1,0,1]=4 367 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,0,1,0,0,0|2,0,0]=4 368 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,0,1,0,0,0|1,0,0]=3 369 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [1,0,1,0,0,0|1,0,1]=4 370 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [1,0,1,0,0,0|1,0,1]=4 371 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,0,1,0,0,0|1,0,0]=3 372 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [1,0,1,0,0,0|0,0,1]=3 373 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [1,0,1,0,0,0|1,0,1]=4 374 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [1,0,1,0,0,0|1,0,1]=4 375 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [1,0,1,0,0,0|1,0,1]=4 376 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [1,0,1,0,0,0|1,0,1]=4 377 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [1,0,1,0,0,0|1,0,1]=4 378 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,0,1,0,0,0|1,0,0]=3 379 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [1,0,1,0,0,0|2,0,0]=4 380 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [1,0,1,0,0,0|2,0,0]=4 381 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [1,0,1,0,0,0|2,0,0]=4 382 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [1,0,1,0,0,0|2,0,0]=4 383 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [1,0,1,0,0,0|2,0,0]=4 384 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [1,0,1,0,0,0|2,0,0]=4 385 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [1,0,1,0,0,0|2,0,0]=4 386 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [1,0,1,0,0,0|2,0,0]=4 387 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [1,0,1,0,0,0|2,0,0]=4 388 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [1,0,1,0,0,0|2,0,0]=4 389 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [1,0,1,0,0,0|2,0,0]=4 390 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [1,0,1,0,0,0|2,0,0]=4 391 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [1,0,1,0,0,0|2,0,0]=4 392 B8R0.2 CC(=O)N(C)C(C)CO 954909c32608c887b20279d0f2f3780c [0,1,1,0,0,0|2,0,0]=4 393 B8R0.2 CC(=O)N(C)[C@@H](C)CO 225dc8a4ffcea4cd61a90a38a4080118 [0,1,1,0,0,0|2,0,0]=4 394 B8R0.2 CC(=O)N(C)[C@H](C)CO de33b62e9836c68164793809e4e8e5b1 [0,1,1,0,0,0|2,0,0]=4 395 B8R0.2 CCC(C)N(C)C(=O)C 086f7eb815f719734067083abba6aada [0,1,1,0,0,0|1,0,0]=3 396 B8R0.2 CCN(C)C(=O)C(=O)C f60b3512bf731817ed8f594771284a74 [0,1,1,0,0,0|2,0,0]=4 397 B8R0.2 CCN(C)C(C)C(=O)C b0aebe8e13e2528b49b039e15b578c7c [0,1,1,0,0,0|2,0,0]=4 398 B8R0.5 CC(=O)NC(C)CC#N 4c1eec26fa88af811b86b8c3ab1a2be6 [0,1,1,0,0,0|1,0,1]=4 399 B8R0.5 CC(=O)NC(C)CCO 31015bb8805fb64762d130a6b4b7d734 [0,1,1,0,0,0|1,0,0]=3 400 B8R0.5 CC(=O)N[C@@H](C)CCO 4818866c214b230552dc5531d2d7dacb [0,1,1,0,0,0|1,0,0]=3 401 B8R0.5 CC(=O)N[C@H](C)CCO d4f1175f550aed36e673eb7917598f76 [0,1,1,0,0,0|1,0,0]=3 402 B8R0.5 CC(=O)OC(C)NC#N 7ce6bed850925e5320101ab8e2b6e4e9 [0,1,1,0,0,0|1,0,1]=4 403 B8R0.5 CCCC(C)NC(=O)C 1ed0caa6bab6b1d79a8ed0b0c0e539ad [0,1,1,0,0,0|1,0,0]=3 404 B8R0.5 CCCC(C)OC(C)C af28c67907ad8e9b80a1443e1881a09f [0,1,1,0,0,0|1,0,1]=4 405 B8R0.5 CCC[C@@H](C)OC(C)C 38af500727caf5ac56759d6ba34645ea [0,1,1,0,0,0|1,0,1]=4 406 B8R0.5 CCC[C@H](C)NC(=O)C 95c9eaebbb0a0de223f5b617f08585d8 [0,1,1,0,0,0|1,0,0]=3 407 B8R0.5 CCC[C@H](C)OC(C)C 39fe789680e7206034f6b275f2ba377c [0,1,1,0,0,0|1,0,1]=4 408 B8R0.5 CCNC(C)CC(=O)O 29ac9bd89e468a34801bb550215ba942 [0,1,1,0,0,0|2,0,0]=4 409 B8R0.5 CCN[C@@H](C)CC(=O)O 40a529d5929c8901c8f2b9599ed898cd [0,1,1,0,0,0|2,0,0]=4 410 B8R0.5 CCN[C@H](C)CC(=O)O 2f28d4f7bc57f1ad1bf5a4eebcdf11f3 [0,1,1,0,0,0|2,0,0]=4 411 B8R0.5 CCOC(C)CC(=O)N a247fc098cd9bc50b0c7b9371cf4fcb5 [0,1,1,0,0,0|2,0,0]=4 412 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [0,1,1,0,0,0|2,0,0]=4 413 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [0,1,1,0,0,0|2,0,0]=4 414 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [0,1,1,0,0,0|2,0,0]=4 415 B8R0.5 COCC(C)NC(=O)C d3030be71efb57415a6640caba792cb5 [0,1,1,0,0,0|1,0,0]=3 416 B8R0.5 COCC(C)OC(C)C 42224fedc69e8b9186e7b6a47072d544 [0,1,1,0,0,0|1,0,1]=4 417 B8R0.5 COC[C@@H](C)NC(=O)C e26de4ebd7327dac480ea010b3a6df2f [0,1,1,0,0,0|1,0,0]=3 418 B8R0.5 COC[C@@H](C)OC(C)C 55e39c13b20d1d01aae9f00d8a695fef [0,1,1,0,0,0|1,0,1]=4 419 B8R0.5 COC[C@H](C)NC(=O)C 4d6a771b34650f584286aeb4b67fe92b [0,1,1,0,0,0|1,0,0]=3 420 B8R0.5 COC[C@H](C)OC(C)C 937e8d4809322b8fa6634d0115399612 [0,1,1,0,0,0|1,0,1]=4 421 B8R0.5 CSCC(C)OC(C)C f21107a5d5a62c97312908cbb5e0f355 [0,1,1,0,0,0|1,0,1]=4 422 B8R0.16 CC(=O)NC(CO)CO b933289767d5f896480a48145d3e5dd9 [0,1,1,0,0,0|2,0,0]=4 423 B8R0.16 CCC(CC)NC(=O)C 4ed89f720f0f05324cf79f8a98baf869 [0,1,1,0,0,0|1,0,0]=3 424 B8R0.16 CCC(CC)OC(C)C 0d36ea4bc357375b974f87de9390eb5f [0,1,1,0,0,0|1,0,1]=4 425 B8R0.16 CCC(CO)NC(=O)C 0fc969f502a685ac3a30dff22859fa62 [0,1,1,0,0,0|1,0,0]=3 426 B8R0.16 CC[C@@H](CO)NC(=O)C ec21a63ea250126e0e8e11da71f403ff [0,1,1,0,0,0|1,0,0]=3 427 B8R0.16 CC[C@H](CO)NC(=O)C 6d8228e87e113704ba8a910f796088e1 [0,1,1,0,0,0|1,0,0]=3 428 B8R0.19 C#CC(=O)NC(C)CC 61d9b7eb83f4ff7eb7086f9d7e1ae285 [0,1,1,0,0,0|1,0,1]=4 429 B8R0.19 C#CC(=O)N[C@@H](C)CC e4430e1df3d27e1f60bfd6ac8cb2107b [0,1,1,0,0,0|1,0,1]=4 430 B8R0.19 C#CC(=O)N[C@H](C)CC 4b809239b5091186dfbcfe36ab818a64 [0,1,1,0,0,0|1,0,1]=4 431 B8R0.19 C#CC(C)OC(C)CC b9bef986cc9d8c659004d98675a4d1f5 [0,1,1,0,0,0|1,0,1]=4 432 B8R0.19 C#CC(C)O[C@@H](C)CC 3b2e6544dbdc017fbd8f867e6cb799c3 [0,1,1,0,0,0|1,0,1]=4 433 B8R0.19 C#CC(C)O[C@H](C)CC ad0a8672b19ce051cb51ddf07f41953f [0,1,1,0,0,0|1,0,1]=4 434 B8R0.19 C#C[C@@H](C)OC(C)CC ed011b380984111e68bb7c50f29ab85d [0,1,1,0,0,0|1,0,1]=4 435 B8R0.19 C#C[C@H](C)OC(C)CC c0ae8827e39795e766edc66cb4bebf31 [0,1,1,0,0,0|1,0,1]=4 436 B8R0.19 C=C(C=O)OC(C)CC c5f7d9036a8fdea0d25979e46bb39add [0,1,1,0,0,0|0,0,1]=3 437 B8R0.19 C=CC(=O)NC(C)CC 618b63daf38e12edf0af1cf418a0bd56 [0,1,1,0,0,0|1,0,1]=4 438 B8R0.19 C=CC(=O)N[C@@H](C)CC a3ffc6e9f98d3fec0068c30de1c1aa9d [0,1,1,0,0,0|1,0,1]=4 439 B8R0.19 C=CC(=O)N[C@H](C)CC 7381476a5c4cd38996f0fa157a298c50 [0,1,1,0,0,0|1,0,1]=4 440 B8R0.19 C=CC(C)OC(C)CC bc030ee1d54310e4e42e3ca28b627322 [0,1,1,0,0,0|1,0,1]=4 441 B8R0.19 C=CC(C)O[C@@H](C)CC 3c69a31efdac74917d5815feffec4931 [0,1,1,0,0,0|1,0,1]=4 442 B8R0.19 C=CC(C)O[C@H](C)CC 23874840195e0ea82a3608089cd552e1 [0,1,1,0,0,0|1,0,1]=4 443 B8R0.19 C=C[C@H](C)OC(C)CC 8317ad39d31f9c390bbb41cff204bc88 [0,1,1,0,0,0|1,0,1]=4 444 B8R0.19 CC(C=O)OC(C)CF dd1260e813ad128cb1339d09b832705a [0,1,1,0,0,0|1,0,1]=4 445 B8R0.19 CC(C=O)OC(C)CS 773a75b997229db7d6efcc42b9c60d2d [0,1,1,0,0,0|1,0,1]=4 446 B8R0.19 CC(C=O)O[C@H](C)CS db7e1cf4f367eba88f034becbe252a6b [0,1,1,0,0,0|1,0,1]=4 447 B8R0.19 CC(CF)O[C@H](C)C=O dff28bb67fd8d3181563ff4952bada48 [0,1,1,0,0,0|1,0,1]=4 448 B8R0.19 CC(CO)NC(=O)CF ef2266eb5061b2bffbd30285b120264a [0,1,1,0,0,0|2,0,0]=4 449 B8R0.19 CC(CO)NC(=O)CO 36e7f0a9d41f765505ec00dee787948b [0,1,1,0,0,0|2,0,0]=4 450 B8R0.19 CC(CO)NC(=O)CS 4ca68b24b40823bba6f492cc34b6d41b [0,1,1,0,0,0|2,0,0]=4 451 B8R0.19 CC(CS)O[C@H](C)C=O 318a2971080d0243ebb32baf94adf9fb [0,1,1,0,0,0|1,0,1]=4 452 B8R0.19 CCC(=O)CN(C)CC 5ff470863ab78226aff558b26acaa6bb [0,1,1,0,0,0|2,0,0]=4 453 B8R0.19 CCC(=O)NC(C)CC 276f63d9911911bef583b63399d6babf [0,1,1,0,0,0|1,0,0]=3 454 B8R0.19 CCC(=O)NC(C)CO 31f73ee0dabaaa5a17015c929f45f2fd [0,1,1,0,0,0|2,0,0]=4 455 B8R0.19 CCC(=O)N[C@@H](C)CC 5015556f6119dada9330f459ef8b4a95 [0,1,1,0,0,0|1,0,0]=3 456 B8R0.19 CCC(=O)N[C@@H](C)CO a3bcc6db0615cc40ae6703cd20d3dc45 [0,1,1,0,0,0|2,0,0]=4 457 B8R0.19 CCC(=O)N[C@H](C)CC 0aeecce7ca86d9a6cf7c4003d6b8deb5 [0,1,1,0,0,0|1,0,0]=3 458 B8R0.19 CCC(=O)N[C@H](C)CO 3449d5b097ace6785d86df28155e11e4 [0,1,1,0,0,0|2,0,0]=4 459 B8R0.19 CCC(C)NC(=O)C=O d87e951102d767f8f5aa3b902ef92349 [0,1,1,0,0,0|1,0,1]=4 460 B8R0.19 CCC(C)NC(=O)CF be99e999222b335d1cb75f36b6d9cd45 [0,1,1,0,0,0|1,0,0]=3 461 B8R0.19 CCC(C)NC(=O)CO 33a44afa4449469b04b268f3719a3e59 [0,1,1,0,0,0|1,0,0]=3 462 B8R0.19 CCC(C)NC(=O)CS 2bbecd1472ce4a0c07af9c3693119c31 [0,1,1,0,0,0|1,0,0]=3 463 B8R0.19 CCC(C)NC(C)C=O 610b4a8ffb3807f31c76d2eb3d0b9780 [0,1,1,0,0,0|1,0,1]=4 464 B8R0.19 CCC(C)N[C@H](C)C=O bcb94071dd29361c15a01b7c88596d57 [0,1,1,0,0,0|1,0,1]=4 465 B8R0.19 CCC(C)OC(C)C#N c4b4dc8a9fc96e21a7c29a5151bcab8c [0,1,1,0,0,0|1,0,1]=4 466 B8R0.19 CCC(C)OC(C)C=O eff298f26322e5014e51cb58e37ec95a [0,1,1,0,0,0|0,0,1]=3 467 B8R0.19 CCC(C)OC(C)CC 3470543b91d3e4ca0bc1a393ace3b2b7 [0,1,1,0,0,0|1,0,1]=4 468 B8R0.19 CCC(C)OC(C)CF 49125939c81cefb4adc19d8dfa0139ae [0,1,1,0,0,0|1,0,1]=4 469 B8R0.19 CCC(C)OC(C)CS 3de39661c837590ac35f0513edf5ff4f [0,1,1,0,0,0|0,1,1]=4 470 B8R0.19 CCC(C)O[C@@H](C)CC 5b5f6724583f0bba5fdaf3b11471f3c4 [0,1,1,0,0,0|1,0,1]=4 471 B8R0.19 CCC(C)O[C@H](C)C=O 8b0db61f6f95e4e0ee500a8429036305 [0,1,1,0,0,0|0,0,1]=3 472 B8R0.19 CCC(C)O[C@H](C)CC 0baa98fec5db8845d4182fe89ad327a5 [0,1,1,0,0,0|1,0,1]=4 473 B8R0.19 CCC(C)O[C@H](C)CS d30039869670687a3f43f613444a1033 [0,1,1,0,0,0|0,1,1]=4 474 B8R0.19 CCN(C)CC(=O)CO cfedb43af4bce24aac2f06a8534d30e0 [0,1,1,0,0,0|2,0,0]=4 475 B8R0.19 CCN(C)CC(=O)NC 8baa1dde5886fc0147e3d3c2a9f34306 [0,1,1,0,0,0|2,0,0]=4 476 B8R0.19 CCN(C)CC(=O)OC dc6eaad4d2fa330c4e11c97ae3abe5a3 [0,1,1,0,0,0|2,0,0]=4 477 B8R0.19 CC[C@@H](C)NC(=O)C=O 21ac8ac32e78a362dc133e8e3bbda567 [0,1,1,0,0,0|1,0,1]=4 478 B8R0.19 CC[C@@H](C)NC(=O)CF 972ccf96eab46daa18ae78e952074e33 [0,1,1,0,0,0|1,0,0]=3 479 B8R0.19 CC[C@@H](C)NC(=O)CO 102bc53795a33daa61b0e6c2cdbc40e6 [0,1,1,0,0,0|1,0,0]=3 480 B8R0.19 CC[C@@H](C)NC(=O)CS 6576ffdd87c3ad0b66c846698b8c9218 [0,1,1,0,0,0|1,0,0]=3 481 B8R0.19 CC[C@@H](C)NC(C)C=O abf2de4d64d8367bf152827fa19c8747 [0,1,1,0,0,0|1,0,1]=4 482 B8R0.19 CC[C@@H](C)N[C@H](C)C=O 3342a1648b9263897ca0c454c43aa5e6 [0,1,1,0,0,0|1,0,1]=4 483 B8R0.19 CC[C@@H](C)OC(C)C#N cba4c225d0d58694636de5a14ca61f8b [0,1,1,0,0,0|1,0,1]=4 484 B8R0.19 CC[C@@H](C)OC(C)C=O 665da496f78ef9cbb93bd2fbabb6c4bb [0,1,1,0,0,0|0,0,1]=3 485 B8R0.19 CC[C@@H](C)O[C@H](C)C=O 89b33ea7698450df463669e4946abea4 [0,1,1,0,0,0|0,0,1]=3 486 B8R0.19 CC[C@H](C)NC(=O)C=O e638670223a406eb6167bccd4c1dfde1 [0,1,1,0,0,0|1,0,1]=4 487 B8R0.19 CC[C@H](C)NC(=O)CF 4effc7db6392db0aa027693c9704097d [0,1,1,0,0,0|1,0,0]=3 488 B8R0.19 CC[C@H](C)NC(=O)CO 7070ce3ef500a05442ee4538ea055e46 [0,1,1,0,0,0|1,0,0]=3 489 B8R0.19 CC[C@H](C)NC(=O)CS 035bd81fae7cc99474ceaac0a841b71d [0,1,1,0,0,0|1,0,0]=3 490 B8R0.19 CC[C@H](C)NC(C)C=O 018c527e97f5ffc308f69037c7d3a009 [0,1,1,0,0,0|1,0,1]=4 491 B8R0.19 CC[C@H](C)N[C@H](C)C=O d64bf9f3a5fe53c581afe2fb82ccfd54 [0,1,1,0,0,0|1,0,1]=4 492 B8R0.19 CC[C@H](C)OC(C)C#N 8ed7e666a29ed266578fa97cdedc6e8c [0,1,1,0,0,0|1,0,1]=4 493 B8R0.19 CC[C@H](C)OC(C)C=O 0ca2a7fbf13c00f26ded9cafaaef3a1d [0,1,1,0,0,0|0,0,1]=3 494 B8R0.19 CC[C@H](C)O[C@H](C)C=O 65f006b95602312ad77964961ea5b1e5 [0,1,1,0,0,0|0,0,1]=3 495 B8R0.19 C[C@@H](CO)NC(=O)CF 2c1d0a1ab5fcd3bc348406e1eae8d857 [0,1,1,0,0,0|2,0,0]=4 496 B8R0.19 C[C@@H](CO)NC(=O)CO 4ef5922646eca2409cc0528bbe495536 [0,1,1,0,0,0|2,0,0]=4 497 B8R0.19 C[C@@H](CO)NC(=O)CS ecb25931c5ecf30a1072b0ef0c850951 [0,1,1,0,0,0|2,0,0]=4 498 B8R0.19 C[C@H](C=O)O[C@H](C)CS af72370034f51011307ce75fb53579bd [0,1,1,0,0,0|1,0,1]=4 499 B8R0.19 C[C@H](CO)NC(=O)CF 47adba76c977441bf582f65bebd39947 [0,1,1,0,0,0|2,0,0]=4 500 B8R0.19 C[C@H](CO)NC(=O)CO 02a86c975d92184b3a8afd5bdd788d80 [0,1,1,0,0,0|2,0,0]=4 501 B8R0.19 C[C@H](CO)NC(=O)CS ecf3d50d57e6bb41773d96b1c96ed61c [0,1,1,0,0,0|2,0,0]=4 502 B8R0.23 CC(=O)NC(C)C(C)C 44e61c71c404e93b61e4ebb2d17acd25 [0,1,1,0,0,0|1,0,0]=3 503 B8R0.23 CC(=O)NC(C)C(C)O 82d78b22fd9c1b1cb9a6f73c5b23c29f [0,1,1,0,0,0|1,0,0]=3 504 B8R0.23 CC(=O)N[C@@H](C)C(C)C 020b2d58d09d222117d5a013059e1c42 [0,1,1,0,0,0|1,0,0]=3 505 B8R0.23 CC(=O)N[C@@H](C)C(F)F 22488b68f94b27687795c9433c1222cc [0,1,1,0,0,0|2,0,0]=4 506 B8R0.23 CC(=O)N[C@H](C)C(C)C 1a8a59449f9523fa08b3f0d029907e07 [0,1,1,0,0,0|1,0,0]=3 507 B8R0.23 CC(=O)N[C@H](C)C(F)F 39323a7f6823bde98b326479b7aa9573 [0,1,1,0,0,0|2,0,0]=4 508 B8R0.23 CC(C)OC(C)C(C)C f910c97d1e3fc31ceadbec63396d96d4 [0,1,1,0,0,0|1,0,1]=4 509 B8R0.23 CC(C)OC(C)C(C)S c5a4043ec4c85dd966d520e3bdc0abba [0,1,1,0,0,0|1,0,1]=4 510 B8R0.23 CC(C)O[C@@H](C)C(C)C 444255d792edbc9dc89a2ace48652e7b [0,1,1,0,0,0|1,0,1]=4 511 B8R0.23 CC(C)O[C@H](C)C(C)C ee15d6361bb13960f2a62772caaee08e [0,1,1,0,0,0|1,0,1]=4 512 B8R0.34 CC(=O)NC(C)(C)CF a18ff32a5fc0bc819ab72e44d96d3946 [0,1,1,0,0,0|2,0,0]=4 513 B8R0.34 CC(=O)NC(C)(C)CO 79003794ec6500404906022922bddeef [0,1,1,0,0,0|2,0,0]=4 514 B8R0.34 CCC(C)(C)NC(=O)C 840c3fecba24f983e5795d9efa511b8c [0,1,1,0,0,0|1,0,0]=3 515 B8R0.1 C#CCC(=O)NCCC 02e18d00f6cac127c3ba925ff7cc6fd1 [0,1,1,0,0,0|1,0,1]=4 516 B8R0.1 C/C=C/C(=O)NCCC 3112d70c0159afb044aaeb01584dde68 [0,1,1,0,0,0|1,0,1]=4 517 B8R0.1 C=CCC(=O)NCCC 0464f3619ee0131de1206f24520111fa [0,1,1,0,0,0|1,0,1]=4 518 B8R0.1 C=CCC(O)CNC=O bd60316b28a4da54cc901c5bd26e442c [0,1,1,0,0,0|1,0,1]=4 519 B8R0.1 C=CCCC(C)OCC 12ed926926e8651e3a80017bb67d145a [0,1,1,0,0,0|2,0,0]=4 520 B8R0.1 C=CCC[C@@H](C)OCC 0ab76f3ece4d8150e9e76a16d7bb942b [0,1,1,0,0,0|2,0,0]=4 521 B8R0.1 CC#CC(=O)NCCC f3929637650271102a5b6c505641e7e8 [0,1,1,0,0,0|1,0,1]=4 522 B8R0.1 CC(CCO)CNC=O 494f744824d462f62341eadad29d83d3 [0,1,1,0,0,0|2,0,0]=4 523 B8R0.1 CC(CCO)NCC=O be4773d58a64f79dc63b248791979cf7 [0,1,1,0,0,0|2,0,0]=4 524 B8R0.1 CCCC(=O)NCCBr e3424ddfe0e4582b4445faadedeca9f3 [0,1,1,0,0,0|2,0,0]=4 525 B8R0.1 CCCC(=O)NCCF abd86ad1a4854f306fa4ec91802cd24f [0,1,1,0,0,0|2,0,0]=4 526 B8R0.1 CCCC(=O)NCCI effb943f4ec1dba1ee2232662d0cb367 [0,1,1,0,0,0|2,0,0]=4 527 B8R0.1 CCCC(=O)NCCO d2bc78e5bd2f73aa8619f010857f1926 [0,1,1,0,0,0|2,0,0]=4 528 B8R0.1 CCCC(=O)NCCS c2ef67720d0b2ef54134f82538ee13fd [0,1,1,0,0,0|2,0,0]=4 529 B8R0.1 CCCC(=S)OCCF 4a3f66968fafe65a13eab591dccc8c9f [0,1,1,0,0,0|1,1,0]=4 530 B8R0.1 CCCC(=S)OCCS 7161c28940ff0dc6e0b2d32d8bc2d5dc [0,1,1,0,0,0|1,1,0]=4 531 B8R0.1 CCCC(=S)OCOC d7c66aa0be93e71a0e10702c93e66ce1 [0,1,1,0,0,0|1,1,0]=4 532 B8R0.1 CCCC(=S)OCSC aaf32ff7376d2185d5b81bb017266ecd [0,1,1,0,0,0|1,1,0]=4 533 B8R0.1 CCCC(C)NCC=O 9f1868c3f1326c5a8444197e6058548a [0,1,1,0,0,0|2,0,0]=4 534 B8R0.1 CCCC(C)OCC=O bf24684220a55c36790abbdedb1b3799 [0,1,1,0,0,0|2,0,0]=4 535 B8R0.1 CCCC(O)CNC=O 3e50ed85c9c916875e196c40b2fc51de [0,1,1,0,0,0|1,0,0]=3 536 B8R0.1 CCCN(C)CCC=O cd4badc64192ce4c537889fd9678d594 [0,1,1,0,0,0|2,0,0]=4 537 B8R0.1 CCCNC(=O)CC#N a35df4e334c2327f92e0bafe31098739 [0,1,1,0,0,0|1,0,1]=4 538 B8R0.1 CCCNC(=O)CC=O c387c4bc3ea86b21200effc59fe151db [0,1,1,0,0,0|1,0,1]=4 539 B8R0.1 CCCNC(=O)CCC 3a4ef615081398a2acfdf5d3349655c4 [0,1,1,0,0,0|1,0,0]=3 540 B8R0.1 CCCNC(=O)CCF 80cac466548133e31f593852e3638107 [0,1,1,0,0,0|1,0,0]=3 541 B8R0.1 CCCNC(=O)CCO 1e17d6cf040450a0042d7883a84b4d20 [0,1,1,0,0,0|1,0,0]=3 542 B8R0.1 CCCNC(=O)CCS 5ca47d6ccf33cee73df146cfd5794783 [0,1,1,0,0,0|1,0,0]=3 543 B8R0.1 CCCNC(=O)COC d992f0c3466a56e61d0974e6b6e8669f [0,1,1,0,0,0|1,0,0]=3 544 B8R0.1 CCCNC(=O)CON 9840c2139f1e78498e25b8fce4d164d2 [0,1,1,0,0,0|2,0,0]=4 545 B8R0.1 CCCNC(=O)CSC 6ae58cb75ea789964eebc3d4df556317 [0,1,1,0,0,0|1,0,0]=3 546 B8R0.1 CCCOC(=S)CCC 553859e26557f67ca84075cb05814f3e [0,1,1,0,0,0|0,1,0]=3 547 B8R0.1 CCCOC(C)CCC 5072af5c5b154601df0153ecc4f9a62c [0,1,1,0,0,0|1,0,1]=4 548 B8R0.1 CCCOC(C)COC 7da8295e4d831ee4f9d2cde28bad1a12 [0,1,1,0,0,0|1,0,1]=4 549 B8R0.1 CCCOC(C)CSC 9f9571e90cf786089b434f3ce024d599 [0,1,1,0,0,0|1,0,1]=4 550 B8R0.1 CCCO[C@@H](C)CCC 3768650ef68ec2d5f66e51478eb2c0cf [0,1,1,0,0,0|1,0,1]=4 551 B8R0.1 CCCO[C@@H](C)COC 626e622663639373f117286290b64b6d [0,1,1,0,0,0|1,0,1]=4 552 B8R0.1 CCCO[C@H](C)CCC d9937f3512bcf6b6a2b04993e218c5dc [0,1,1,0,0,0|1,0,1]=4 553 B8R0.1 CCCO[C@H](C)COC 97f2c6bbb0fdd054219bab069984cf44 [0,1,1,0,0,0|1,0,1]=4 554 B8R0.1 CCC[C@@H](C)OCC=O 81402cca9611ddb40901d5fa2d62e285 [0,1,1,0,0,0|2,0,0]=4 555 B8R0.1 CCC[C@H](C)NCC=O 344319cad1a5cb6c553f571432cf347f [0,1,1,0,0,0|2,0,0]=4 556 B8R0.1 CCC[C@H](C)OCC=O cd3513e181af862dd8891792f8677966 [0,1,1,0,0,0|2,0,0]=4 557 B8R0.1 CCNC(=O)COCC c84e7c49da6c2baea65be933f5b80bea [0,1,1,0,0,0|2,0,0]=4 558 B8R0.1 CCNCC(=O)NCC 85e3c6c463358c2ceb6c3f3c07ea189c [0,1,1,0,0,0|2,0,0]=4 559 B8R0.1 CCNCC(=O)OCC 13e479e123264c7bc2cd9986b04b4c24 [0,1,1,0,0,0|2,0,0]=4 560 B8R0.1 CCOC(C)CNC=O 6ac843f8d05ef25abe339acf9a7e85be [0,1,1,0,0,0|2,0,0]=4 561 B8R0.1 CCOCC(=O)OCC a71429e2784f27b770f80be9d4ceb826 [0,1,1,0,0,0|2,0,0]=4 562 B8R0.1 CN(CCF)CCC=O 8931c69c0220d8a040f4b6d70039493e [0,1,1,0,0,0|2,0,0]=4 563 B8R0.1 CN(CCO)CCC=O 69df82d3bd6c841b00970a1b6a8a928f [0,1,1,0,0,0|2,0,0]=4 564 B8R0.1 COCC(=O)NCCBr e1d7efa2beb897f6fe8c723e5fef1d8c [0,1,1,0,0,0|2,0,0]=4 565 B8R0.1 COCC(=O)NCCF 5b27f9df05a07da8459d8e50096ac5ef [0,1,1,0,0,0|2,0,0]=4 566 B8R0.1 COCC(=O)NCCI 555339bd86b0ca69dc4cdec31caa1894 [0,1,1,0,0,0|2,0,0]=4 567 B8R0.1 COCC(=O)NCCO 5ced7d6cbd9eed1c30b901e6485d694c [0,1,1,0,0,0|2,0,0]=4 568 B8R0.1 COCC(=O)NCCS 730709bdb2536a5f7519c33efb71b705 [0,1,1,0,0,0|2,0,0]=4 569 B8R0.1 COCC(C)NCC=O 4baf3fe6a6d274e7ea1aec1466238275 [0,1,1,0,0,0|2,0,0]=4 570 B8R0.1 COCC(C)OCC=O a93d71aa3da594c97159b56ba29ff8f5 [0,1,1,0,0,0|2,0,0]=4 571 B8R0.1 COCC(O)CNC=O dcf0e3098a4084e4af6a40d5ee812c91 [0,1,1,0,0,0|1,0,0]=3 572 B8R0.1 COC[C@@H](C)NCC=O 4fb921a050a5f68cf2239a934ae891a7 [0,1,1,0,0,0|2,0,0]=4 573 B8R0.1 COC[C@@H](C)OCC=O e4852e42aa1f253c2a0a1f8cacf1148b [0,1,1,0,0,0|2,0,0]=4 574 B8R0.1 COC[C@@H](O)CNC=O 17b12184b93d1444bd3c1cfdf3acf27b [0,1,1,0,0,0|1,0,0]=3 575 B8R0.1 COC[C@H](C)NCC=O bc29ca8d06d84bc5177cf78e24d1b1b6 [0,1,1,0,0,0|2,0,0]=4 576 B8R0.1 COC[C@H](C)OCC=O e3af86d71c642a75e0e78450bc9ecd56 [0,1,1,0,0,0|2,0,0]=4 577 B8R0.1 CSCC(=O)NCCBr 98705a0f39eb077061bcbd29b0672e6a [0,1,1,0,0,0|2,0,0]=4 578 B8R0.1 CSCC(=O)NCCF dfda28d66fa36cfb5ce50a1350224197 [0,1,1,0,0,0|2,0,0]=4 579 B8R0.1 CSCC(=O)NCCI 7bfc8d164efaef654c34edd5d1d07835 [0,1,1,0,0,0|2,0,0]=4 580 B8R0.1 CSCC(=O)NCCO 8fe8e72aaf0bb9f5644b18e3c790996d [0,1,1,0,0,0|2,0,0]=4 581 B8R0.1 CSCC(=O)NCCS 0c7243c53eb1aa5322c2775032ee2b33 [0,1,1,0,0,0|2,0,0]=4 582 B8R0.1 CSCC(C)OCC=O d521716379b16767717aab19be915c57 [0,1,1,0,0,0|2,0,0]=4 583 B8R0.1 C[C@@H](CCO)NCC=O b740e215ba752232b945e9f7d9202d2b [0,1,1,0,0,0|2,0,0]=4 584 B8R0.1 C[C@H](CCO)NCC=O 8e0d0c9fecd308d7ccaf47b7123c3880 [0,1,1,0,0,0|2,0,0]=4 585 B8R0.1 O=C(CCF)NCCBr 4e6a83a04fff0ae2002d06f5532a71cf [0,1,1,0,0,0|2,0,0]=4 586 B8R0.1 O=C(CCF)NCCF 3ee47b2b4a969933bf6a2b7769d886d8 [0,1,1,0,0,0|2,0,0]=4 587 B8R0.1 O=C(CCF)NCCI 0514d32be9a459d35ff2d3dd8e59c8c1 [0,1,1,0,0,0|2,0,0]=4 588 B8R0.1 O=C(CCF)NCCO 8a006b90c0f677be977fd587da748001 [0,1,1,0,0,0|2,0,0]=4 589 B8R0.1 O=C(CCF)NCCS cc499bcf14cc4ef20c4a540fd4249535 [0,1,1,0,0,0|2,0,0]=4 590 B8R0.1 O=C(CCO)NCCBr 0598e39f87524871b714a958e56557af [0,1,1,0,0,0|2,0,0]=4 591 B8R0.1 O=C(CCO)NCCF fc3c58338add0c048e7e192017336dc4 [0,1,1,0,0,0|2,0,0]=4 592 B8R0.1 O=C(CCO)NCCI f4b9eac1b1d1ab1205b4f68c01e683b0 [0,1,1,0,0,0|2,0,0]=4 593 B8R0.1 O=C(CCO)NCCO baa85bba8951a71c692dae57f4f0b055 [0,1,1,0,0,0|2,0,0]=4 594 B8R0.1 O=C(CCO)NCCS 67e704856b61f7f4ce061f14d041dc6c [0,1,1,0,0,0|2,0,0]=4 595 B8R0.1 O=C(CCS)NCCBr 0eb47b0aecf2287af30d9b3e94e8bc58 [0,1,1,0,0,0|2,0,0]=4 596 B8R0.1 O=C(CCS)NCCF b7e186cad638003cfed1aa574b20f812 [0,1,1,0,0,0|2,0,0]=4 597 B8R0.1 O=C(CCS)NCCI 56f9d8039c6ce5f07f13c307d4e588bf [0,1,1,0,0,0|2,0,0]=4 598 B8R0.1 O=C(CCS)NCCO 41c5fbd04fe40888bf540f13522d8b85 [0,1,1,0,0,0|2,0,0]=4 599 B8R0.1 O=C(CCS)NCCS a425fac0fa57c463ae17426b0d0c8bcc [0,1,1,0,0,0|2,0,0]=4 600 B8R0.3 CCC(=O)N(C)CCF 318a2530a556961418490c44b6c90fdd [0,1,1,0,0,0|2,0,0]=4 601 B8R0.3 CCC(=O)N(C)CCO e0dd9f4a6beab4473ee465efb09f2b8e [0,1,1,0,0,0|2,0,0]=4 602 B8R0.3 CCC(C)C(C)NC=O 4790f87f99d2631c4d7242b87ea52752 [0,1,1,0,0,0|2,0,0]=4 603 B8R0.3 CCC(C)N(C)CC=O 842637d179d388d97d4751c027c4a536 [0,1,1,0,0,0|2,0,0]=4 604 B8R0.3 CCCN(C)C(=O)CC ad1ab8a0f5c07e6ab73ee22aeb9c71a9 [0,1,1,0,0,0|1,0,0]=3 605 B8R0.3 CCCN(C)C(=O)CF 080c0d4ce746cadf5e3f0d9a56835299 [0,1,1,0,0,0|2,0,0]=4 606 B8R0.3 CCCN(C)C(=O)CO daa5d896fade5a1be51c39257fa3d5b8 [0,1,1,0,0,0|2,0,0]=4 607 B8R0.3 CCCN(C)C(=O)CS bcfb0bbfdb716f32aeb6ae13debe4701 [0,1,1,0,0,0|2,0,0]=4 608 B8R0.6 C#CCCNC(=O)CC 675df9b37ab5c9ee6d5c9db4e0b3cee9 [0,1,1,0,0,0|1,0,1]=4 609 B8R0.6 C#CCNCC(O)CC 68f70068a6ca890420d84e93203c1bb9 [0,1,1,0,0,0|1,0,1]=4 610 B8R0.6 C#CCNC[C@H](O)CC 60b3fc51fd2347c9eede92d6af0b9e71 [0,1,1,0,0,0|1,0,1]=4 611 B8R0.6 C#CCOCC(=O)CC 432ed08c7ed6528d6b4d9248e66c13d7 [0,1,1,0,0,0|0,0,2]=4 612 B8R0.6 C=C(CC)CNCCC 13f11be9634d172790672a2fd9a9840c [0,1,1,0,0,0|2,0,0]=4 613 B8R0.6 C=C(CC)COCCC 9a03753bc1b5bbc7ba706f1688ccd4c0 [0,1,1,0,0,0|1,0,0]=3 614 B8R0.6 C=C(CC)COCCF e29bcc08014545601ec41df77fd3afb1 [0,1,1,0,0,0|2,0,0]=4 615 B8R0.6 C=C(CC)COCCS 1954896189fc03c4d7a15c9e17b08731 [0,1,1,0,0,0|2,0,0]=4 616 B8R0.6 C=C(CC)COCOC 8620d2b3e026d934a9f25c9b8e5eed2b [0,1,1,0,0,0|2,0,0]=4 617 B8R0.6 C=C(COCCC)OC 35a576a479e84b27dbf4c71b4925086f [0,1,1,0,0,0|2,0,0]=4 618 B8R0.6 C=CC(O)CNCC=O eea2ac5deb572c6334fda4b1caa7fa47 [0,1,1,0,0,0|0,0,2]=4 619 B8R0.6 C=CCCNC(=O)CC ff184ef1399f6dc8c7e919b7f0c5c0dc [0,1,1,0,0,0|1,0,1]=4 620 B8R0.6 C=CCCNC(C)CC f885cbdaaa18710cec8775d0fc08c804 [0,1,1,0,0,0|2,0,0]=4 621 B8R0.6 C=CCCN[C@@H](C)CC 999e8371ea0e07c999dbfb955513b106 [0,1,1,0,0,0|2,0,0]=4 622 B8R0.6 C=CCCN[C@H](C)CC 07aa1c8af6a68bcbd328411f213e0d5f [0,1,1,0,0,0|2,0,0]=4 623 B8R0.6 C=CCCOC(C)CC b8bb0fe92dd0d23b9879350a5841a976 [0,1,1,0,0,0|2,0,0]=4 624 B8R0.6 C=CCCO[C@@H](C)CC 29dfa30bd98e5dbf9563047158a37aea [0,1,1,0,0,0|2,0,0]=4 625 B8R0.6 C=CCCO[C@H](C)CC 5cad605e23fae06ae0f8741c6fbdd602 [0,1,1,0,0,0|2,0,0]=4 626 B8R0.6 C=CCNCC(C)CC 494ce94604ac38dadc94644e86d6a10d [0,1,1,0,0,0|2,0,0]=4 627 B8R0.6 C=CCNCC(O)CC 5db360d29daafe062d6edb9c4c1b2a38 [0,1,1,0,0,0|1,0,0]=3 628 B8R0.6 C=CCNCC(O)CO 12d9c7ed6f0bf5fa1ee3b1fd1316b921 [0,1,1,0,0,0|2,0,0]=4 629 B8R0.6 C=CCNC[C@@H](C)CC 10564aa737f9984860d65735a5b1d4f7 [0,1,1,0,0,0|2,0,0]=4 630 B8R0.6 C=CCNC[C@@H](O)CO d201d03248462fb29c2769fa551c9908 [0,1,1,0,0,0|2,0,0]=4 631 B8R0.6 C=CCNC[C@H](O)CC 8931fa143d036244108e7a41dc0ec5c3 [0,1,1,0,0,0|1,0,0]=3 632 B8R0.6 C=CCNC[C@H](O)CO 16898f67ff229b2336da87db45ab0890 [0,1,1,0,0,0|2,0,0]=4 633 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [0,1,1,0,0,0|0,0,2]=4 634 B8R0.6 C=CCOCC(C)CC 80dd01c33214aee04f213ff4b3d8b154 [0,1,1,0,0,0|2,0,0]=4 635 B8R0.6 C=CCOC[C@@H](C)CC 33cb2ec72dfd50721c249724597568dd [0,1,1,0,0,0|2,0,0]=4 636 B8R0.6 C=CCOC[C@H](C)CC ea37bcd01cf18ce9e17869382a85446c [0,1,1,0,0,0|2,0,0]=4 637 B8R0.6 CC#CCNC(=O)CC 6d9ddda364502c2ffe7bd0b913f40e69 [0,1,1,0,0,0|1,0,1]=4 638 B8R0.6 CC(CF)OCCC=O b17ff84b04efc05e93964ee25e1ae59e [0,1,1,0,0,0|2,0,0]=4 639 B8R0.6 CC(CO)CCNC=O 39cb296f33f08cf60badb1105cd0e264 [0,1,1,0,0,0|2,0,0]=4 640 B8R0.6 CC(CO)CNCC=O 18b721b702015f9166f9e0a533c4ee44 [0,1,1,0,0,0|2,0,0]=4 641 B8R0.6 CC(CO)NCCC=O 2a49eedaae162f27c224c004e49e642c [0,1,1,0,0,0|2,0,0]=4 642 B8R0.6 CC(CS)OCCC=O b15e712b3203e46c10248532ab426545 [0,1,1,0,0,0|2,0,0]=4 643 B8R0.6 CC=CCNC(=O)CC 0567aadeecba276bde20c091c56d95d3 [0,1,1,0,0,0|1,0,1]=4 644 B8R0.6 CCC(=O)CNCCBr 4ae86c97534187fa67e366dfd1eebd3b [0,1,1,0,0,0|2,0,0]=4 645 B8R0.6 CCC(=O)CNCCF 0bc469d08994cf5b5fbc36250b4ccf28 [0,1,1,0,0,0|2,0,0]=4 646 B8R0.6 CCC(=O)CNCCI 652e280753f4ad7ee550469669c66e91 [0,1,1,0,0,0|2,0,0]=4 647 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [0,1,1,0,0,0|2,0,0]=4 648 B8R0.6 CCC(=O)CNCCS 5d6e1d449d9df5ddcd81a9e54a1f9bcc [0,1,1,0,0,0|2,0,0]=4 649 B8R0.6 CCC(=O)COCC#N df5b26610d1a9f1f635c4ac5e628d5dd [0,1,1,0,0,0|1,0,1]=4 650 B8R0.6 CCC(=O)COCC=O 7cd085a6fb80112ec425ed1d474b4c25 [0,1,1,0,0,0|0,0,2]=4 651 B8R0.6 CCC(=O)COCCF 42452841604a6e08503574a608b88150 [0,1,1,0,0,0|1,0,0]=3 652 B8R0.6 CCC(=O)COCCS 361d7f9395122f7ce5b0a13a0b0a8b7e [0,1,1,0,0,0|1,0,0]=3 653 B8R0.6 CCC(=O)COCOC 2080604d4fba0b9d8e850f3f84775a84 [0,1,1,0,0,0|1,0,0]=3 654 B8R0.6 CCC(=O)COCSC 20ce94165e7ab9ceae1e7c23a6d6840a [0,1,1,0,0,0|1,0,0]=3 655 B8R0.6 CCC(=O)NCCC#N 48cc6a86c0c6f5553ba199e61ccae9bf [0,1,1,0,0,0|1,0,1]=4 656 B8R0.6 CCC(=O)NCCCCl 8c01153ec31ae9cc62389708147e768e [0,1,1,0,0,0|1,0,0]=3 657 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [0,1,1,0,0,0|1,0,0]=3 658 B8R0.6 CCC(=O)NCCOC 23e877e020a2c5b2736fc6a95b7c4f02 [0,1,1,0,0,0|1,0,0]=3 659 B8R0.6 CCC(=O)NCCON 5aa4ed8a34147e98db8513bba6021eb1 [0,1,1,0,0,0|2,0,0]=4 660 B8R0.6 CCC(=O)NCCSC c0f9bf4f85b22a82daaa8b7807daec1c [0,1,1,0,0,0|1,0,0]=3 661 B8R0.6 CCC(=O)OCNC#N fd730aec60d7749f463ba490eda97d3f [0,1,1,0,0,0|1,0,1]=4 662 B8R0.6 CCC(C)CCNC=O 558581aaa032d77ec9625244f37a5ff2 [0,1,1,0,0,0|1,0,0]=3 663 B8R0.6 CCC(C)CNCC=O d00b0f81a0565e49d0bc6374b24732a9 [0,1,1,0,0,0|1,0,0]=3 664 B8R0.6 CCC(C)COCC=O aceccf78c40e809dde74393b828702d0 [0,1,1,0,0,0|1,0,0]=3 665 B8R0.6 CCC(C)NCCC=O 315da1f228cd97e2635c09e3abdec4cc [0,1,1,0,0,0|1,0,0]=3 666 B8R0.6 CCC(C)OCCC=O f072f162ee9d24e1b36d781e9499869c [0,1,1,0,0,0|1,0,0]=3 667 B8R0.6 CCC(C)OCCCF 7608266ccc7b050cb1109bc78c6b6506 [0,1,1,0,0,0|1,0,1]=4 668 B8R0.6 CCC(C)OCCCS 59569899c7c7ea5a22586613c30dc74b [0,1,1,0,0,0|1,0,1]=4 669 B8R0.6 CCC(C)OCCOC 0f412b4c400bcc343476480e66445e27 [0,1,1,0,0,0|1,0,1]=4 670 B8R0.6 CCC(C)OCCSC f2031df256af2f97a18e4ed202bceae8 [0,1,1,0,0,0|1,0,1]=4 671 B8R0.6 CCC(O)CNCC#N 3be64d674cc12b1441f3e05d8ba2392f [0,1,1,0,0,0|1,0,1]=4 672 B8R0.6 CCC(O)CNCC=O 54e64a65f08901b7347dcf1abc24dda0 [0,1,1,0,0,0|0,0,0]=2 673 B8R0.6 CCC(O)CNCCBr e2edc0ed761b04f9e42e0bfe3130b7c4 [0,1,1,0,0,0|1,0,1]=4 674 B8R0.6 CCC(O)CNCCF 7c3f9931d25397f538ac2b825e8e2390 [0,1,1,0,0,0|1,0,1]=4 675 B8R0.6 CCC(O)CNCCI ec21990b8ca8b131d3bfcc4fdea9ff92 [0,1,1,0,0,0|1,0,1]=4 676 B8R0.6 CCC(O)CNCCO 0f04ff5d22921fddd4b4780d1da4ee6b [0,1,1,0,0,0|0,0,2]=4 677 B8R0.6 CCC(O)CNCCS af4d3531d9811cf0462def51ad90232b [0,1,1,0,0,0|0,1,1]=4 678 B8R0.6 CCC(O)CNCOC 7e726222b7d1cf65b1b34e06014a8122 [0,1,1,0,0,0|2,0,0]=4 679 B8R0.6 CCC(O)CNCSC 90eb85890f9346ff85a79d6fda8b686c [0,1,1,0,0,0|2,0,0]=4 680 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [0,1,1,0,0,0|1,0,0]=3 681 B8R0.6 CCCCNC(=O)CF ccc4967a8e0a27400c7d0139924f7409 [0,1,1,0,0,0|2,0,0]=4 682 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,1,1,0,0,0|2,0,0]=4 683 B8R0.6 CCCCNC(=O)CS c89622d02eae8eb9fb1a47fc8bb6fb10 [0,1,1,0,0,0|2,0,0]=4 684 B8R0.6 CCCCOC(C)CC 7b743840237d8f1167e2a19145e2bb11 [0,1,1,0,0,0|1,0,1]=4 685 B8R0.6 CCCCO[C@@H](C)CC 0568b6feb97809cefc1cbb08ceebedee [0,1,1,0,0,0|1,0,1]=4 686 B8R0.6 CCCCO[C@H](C)CC 62d88e9696eb4ecbfe2b32e610c029fe [0,1,1,0,0,0|1,0,1]=4 687 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,1,1,0,0,0|1,0,0]=3 688 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,1,1,0,0,0|2,0,0]=4 689 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [0,1,1,0,0,0|2,0,0]=4 690 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [0,1,1,0,0,0|2,0,0]=4 691 B8R0.6 CCCNCC(O)CC 418992374fd97112480430826829281d [0,1,1,0,0,0|1,0,1]=4 692 B8R0.6 CCCNC[C@H](O)CC 9211d5b7ca8f98bcbe3545d0e681e4b6 [0,1,1,0,0,0|1,0,1]=4 693 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,1,1,0,0,0|0,0,0]=2 694 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,1,1,0,0,0|1,0,0]=3 695 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,1,1,0,0,0|1,0,0]=3 696 B8R0.6 CCCOCC(C)CC 8336a8fc5b3ea2d1a4239fcc430df35e [0,1,1,0,0,0|1,0,1]=4 697 B8R0.6 CCCOC[C@@H](C)CC c84fe828e09e77472347432e2d809559 [0,1,1,0,0,0|1,0,1]=4 698 B8R0.6 CCCOC[C@H](C)CC a570cde5a141abc9ae194e132ed8fa20 [0,1,1,0,0,0|1,0,1]=4 699 B8R0.6 CCN(C)CCCC=O 3dbfe5dc5050d94978ae64e6b9604998 [0,1,1,0,0,0|2,0,0]=4 700 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [0,1,1,0,0,0|2,0,0]=4 701 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [0,1,1,0,0,0|2,0,0]=4 702 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [0,1,1,0,0,0|2,0,0]=4 703 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [0,1,1,0,0,0|2,0,0]=4 704 B8R0.6 CC[C@@H](C)COCC=O c20d93b7abbfab6c6470d540cd7a9908 [0,1,1,0,0,0|1,0,0]=3 705 B8R0.6 CC[C@@H](C)NCCC=O 7e1102ccaaec525d37867fc7a78c5909 [0,1,1,0,0,0|1,0,0]=3 706 B8R0.6 CC[C@@H](C)OCCC=O 368bcae871eba79a6fc9cfc4628ca9f3 [0,1,1,0,0,0|1,0,0]=3 707 B8R0.6 CC[C@@H](C)OCCCF 7b91ef4d02ffce6366f05b07d4bc01d9 [0,1,1,0,0,0|1,0,1]=4 708 B8R0.6 CC[C@@H](C)OCCCS 6c6c2f22fccb8037a5b6c2c37163f959 [0,1,1,0,0,0|1,0,1]=4 709 B8R0.6 CC[C@@H](C)OCCOC db30ac2bff0c750a2289ad4cf8a04d34 [0,1,1,0,0,0|1,0,1]=4 710 B8R0.6 CC[C@@H](C)OCCSC ce99c06b76dfa3d0696884b1a7785ccb [0,1,1,0,0,0|1,0,1]=4 711 B8R0.6 CC[C@@H](O)CNCC#N 8dbda76dacee43b9f56b443d5bf51e10 [0,1,1,0,0,0|1,0,1]=4 712 B8R0.6 CC[C@@H](O)CNCC=O e6c97da33124e077a1a003eda729d8a4 [0,1,1,0,0,0|0,0,0]=2 713 B8R0.6 CC[C@@H](O)CNCCF ab2179a61a0061db8ccb5d6628318056 [0,1,1,0,0,0|1,0,1]=4 714 B8R0.6 CC[C@@H](O)CNCCO 2d13f38d004c7cf2314b4c12b78a382f [0,1,1,0,0,0|0,0,2]=4 715 B8R0.6 CC[C@@H](O)CNCCS f07a3a4faf31bc76369ee3588298a97a [0,1,1,0,0,0|0,1,1]=4 716 B8R0.6 CC[C@@H](O)CNCOC c15579c32ff0b418e45b4ce562e1544d [0,1,1,0,0,0|2,0,0]=4 717 B8R0.6 CC[C@@H](O)CNCSC 602f6216f9b7c4d64254ea6d16f3608f [0,1,1,0,0,0|2,0,0]=4 718 B8R0.6 CC[C@H](C)CNCC=O 2b0760fdc9935c799222d1a5925541c3 [0,1,1,0,0,0|1,0,0]=3 719 B8R0.6 CC[C@H](C)COCC=O 96abd8316d02f524642d5d119877059b [0,1,1,0,0,0|1,0,0]=3 720 B8R0.6 CC[C@H](C)NCCC=O a962ffc26cc849df8f10ed5a3a3f3407 [0,1,1,0,0,0|1,0,0]=3 721 B8R0.6 CC[C@H](C)OCCC=O 663f558856e5f356903f7f6932db0707 [0,1,1,0,0,0|1,0,0]=3 722 B8R0.6 CC[C@H](C)OCCCF b238d2d8b5858677f211108a6f007a3e [0,1,1,0,0,0|1,0,1]=4 723 B8R0.6 CC[C@H](C)OCCCS a5391396126af079b7e941809a4b6adf [0,1,1,0,0,0|1,0,1]=4 724 B8R0.6 CC[C@H](C)OCCOC fe75e9412a4cbec1e3be8b753803fef8 [0,1,1,0,0,0|1,0,1]=4 725 B8R0.6 CC[C@H](C)OCCSC 859d8c0e08c17053da54ea6974440015 [0,1,1,0,0,0|1,0,1]=4 726 B8R0.6 CNC(=O)COCCF 12ab537cbcf65659b34d887d9c7fb928 [0,1,1,0,0,0|2,0,0]=4 727 B8R0.6 CNC(=O)COCCS 63270616340bb3c6f39f4a96b70e09a6 [0,1,1,0,0,0|2,0,0]=4 728 B8R0.6 CNC(=O)COCOC 3537c715a815bdbf6b14bfada111b9bd [0,1,1,0,0,0|2,0,0]=4 729 B8R0.6 CNC(=O)COCSC 241621ed8c34a22b0f5a33905a2ce887 [0,1,1,0,0,0|2,0,0]=4 730 B8R0.6 COC(=O)COCCF 5fd538a27028a3025713a820ebe3ece9 [0,1,1,0,0,0|2,0,0]=4 731 B8R0.6 COC(=O)COCCS 8cf490d3a85a4d72de5bf7120c96cf93 [0,1,1,0,0,0|2,0,0]=4 732 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [0,1,1,0,0,0|2,0,0]=4 733 B8R0.6 COC(C)COCC=O d60b36a618df9b4241244f9566ecdc5f [0,1,1,0,0,0|2,0,0]=4 734 B8R0.6 COCCNC(=O)CF a94db18f72aef2ec4c716239c23c2008 [0,1,1,0,0,0|2,0,0]=4 735 B8R0.6 COCCNC(=O)CO d671289b16ab36037d0c8d78118b8d68 [0,1,1,0,0,0|2,0,0]=4 736 B8R0.6 COCCNC(=O)CS 4b3174b27751971a4c745429c4f67196 [0,1,1,0,0,0|2,0,0]=4 737 B8R0.6 COCOCC(=O)OC 2b399bb8cae6f66d03fa8086bd2ee628 [0,1,1,0,0,0|2,0,0]=4 738 B8R0.6 CO[C@@H](C)CNCC=O 2b4a7e30da32bc7234bd11589f11e153 [0,1,1,0,0,0|2,0,0]=4 739 B8R0.6 CO[C@@H](C)COCC=O 07ee3a6b4ceb80665f98c8f198456fc5 [0,1,1,0,0,0|2,0,0]=4 740 B8R0.6 CO[C@H](C)CNCC=O 7ca0dc6a01650113664fa48ed0e0ea51 [0,1,1,0,0,0|2,0,0]=4 741 B8R0.6 CO[C@H](C)COCC=O 8da8ed3e6726a83c5f05e475965abd23 [0,1,1,0,0,0|2,0,0]=4 742 B8R0.6 CSCCNC(=O)CF 57944584a9e694467df2be000c951ad6 [0,1,1,0,0,0|2,0,0]=4 743 B8R0.6 CSCCNC(=O)CO 65e8216c2feaa293039f65fdae32ef6d [0,1,1,0,0,0|2,0,0]=4 744 B8R0.6 CSCCNC(=O)CS 2af34aeed751cd9e812792b0dc7e1060 [0,1,1,0,0,0|2,0,0]=4 745 B8R0.6 C[C@@H](CO)CCNC=O 3feffe28caaaf0dbda7fb0990299be3b [0,1,1,0,0,0|2,0,0]=4 746 B8R0.6 C[C@@H](CO)NCCC=O 608fd81196e1155374938b5ce9be9d11 [0,1,1,0,0,0|2,0,0]=4 747 B8R0.6 C[C@H](CO)CNCC=O ce3576180443b7d133df7f39370d8756 [0,1,1,0,0,0|2,0,0]=4 748 B8R0.6 C[C@H](CO)NCCC=O c6b2b9a5a05147f280b25371b2bca5f0 [0,1,1,0,0,0|2,0,0]=4 749 B8R0.6 C[C@H](CS)OCCC=O 59b0d090dd51e3a701804a923bcfc9bf [0,1,1,0,0,0|2,0,0]=4 750 B8R0.6 O=C(CF)NCCCCl 934b8e6ee889c80727ea8b7e3cae7f71 [0,1,1,0,0,0|2,0,0]=4 751 B8R0.6 O=C(CF)NCCCO f98476c767e724b095b3ceb9c47c191c [0,1,1,0,0,0|2,0,0]=4 752 B8R0.6 O=C(CO)NCCCCl 0c789d035d9d5ee643962906d4106d8a [0,1,1,0,0,0|2,0,0]=4 753 B8R0.6 O=C(CO)NCCCO 8d20a4d16a68281342a6c9aa794f8168 [0,1,1,0,0,0|2,0,0]=4 754 B8R0.6 O=C(CS)NCCCCl 17654daec75e68e56a406f3209f982cd [0,1,1,0,0,0|2,0,0]=4 755 B8R0.6 O=C(CS)NCCCO 9609fec7c0df8b51e8b529e1db0af996 [0,1,1,0,0,0|2,0,0]=4 756 B8R0.6 O=CCNCC(Br)CBr f8b4628b874c00ea67f5b1ea31294bcb [0,1,1,0,0,0|2,0,0]=4 757 B8R0.6 O=CCNCC(F)CO 46d395441643b8391343b1608d225a77 [0,1,1,0,0,0|2,0,0]=4 758 B8R0.6 O=CCNCC(O)CO fda7899aa326db8479a7cf6ed9ff5496 [0,1,1,0,0,0|1,0,0]=3 759 B8R0.6 O=CCNC[C@@H](F)CO 5e18cd98a50b003516d72cc51ca3a1a4 [0,1,1,0,0,0|2,0,0]=4 760 B8R0.6 O=CCNC[C@@H](O)CO cfa882ca9454e8329a6128be9a5cb6e1 [0,1,1,0,0,0|1,0,0]=3 761 B8R0.6 O=CCNC[C@H](F)CO daaf806b3ec268a7d82f89fcafa4ccb5 [0,1,1,0,0,0|2,0,0]=4 762 B8R0.6 O=CCNC[C@H](O)CO 7ac55096fec47b7cc6006cf27ed82417 [0,1,1,0,0,0|1,0,0]=3 763 B8R0.6 O=CCOCC(Br)CBr aae332e0e58a483c7a378575c78ea8c6 [0,1,1,0,0,0|2,0,0]=4 764 B8R0.6 O=CCOCC(Cl)CCl 6c5deed46908ce8b01b3167bdc1c4832 [0,1,1,0,0,0|2,0,0]=4 765 B8R0.6 O=CCOCC(S)CS bd94fe95bf66dc42f5eb22995ef59c1b [0,1,1,0,0,0|1,1,0]=4 766 B8R0.6 O=CNCCC(O)CO e7dc97883d31a0c7dd013812e3944a74 [0,1,1,0,0,0|1,0,0]=3 767 B8R0.8 C=C(C)C(=O)NCCC 2afd5e95dd9734696b78b1287c8e40c3 [0,1,1,0,0,0|1,0,1]=4 768 B8R0.8 CC(C)C(C)NCC=O 7480596882376427695ab906c9a7bfb0 [0,1,1,0,0,0|2,0,0]=4 769 B8R0.8 CC(C)C(C)OCC=O ce23aaf71e4025cbdc74369cbf39ec61 [0,1,1,0,0,0|2,0,0]=4 770 B8R0.8 CC(C)C(O)CNC=O 60e39351432db3e8d29156b9b9cbfea4 [0,1,1,0,0,0|1,0,0]=3 771 B8R0.8 CC(C)N(C)CCC=O 35a1a35e01b1c9ac6c32f45a18f937cb [0,1,1,0,0,0|2,0,0]=4 772 B8R0.8 CC(C)[C@@H](C)NCC=O fe4cca6e9187eefae56d7c7e9b333cad [0,1,1,0,0,0|2,0,0]=4 773 B8R0.8 CC(C)[C@@H](C)OCC=O 8cb7fc9ac2c6caf3bd0148655550849f [0,1,1,0,0,0|2,0,0]=4 774 B8R0.8 CC(C)[C@H](C)NCC=O b91fe17b3c92a1482d1cf7254f00a408 [0,1,1,0,0,0|2,0,0]=4 775 B8R0.8 CC(C)[C@H](C)OCC=O 42c325ee3d5f7ae3be802a85dcd7d5a5 [0,1,1,0,0,0|2,0,0]=4 776 B8R0.8 CC(F)C(=O)NCCI 8a0369cfed1018ee828f00a2e04759cb [0,1,1,0,0,0|2,0,0]=4 777 B8R0.8 CC(F)C(=O)NCCO 5714b08de3ce4f90a90b82e533206732 [0,1,1,0,0,0|2,0,0]=4 778 B8R0.8 CC(F)C(=O)NCCS b39d80e8f07ef9221c0aa27f4f78917f [0,1,1,0,0,0|2,0,0]=4 779 B8R0.8 CC(O)C(=O)NCCF 91832489eb3405f9b8e768fbbfba918a [0,1,1,0,0,0|2,0,0]=4 780 B8R0.8 CC(O)C(=O)NCCI 5facf5561b562fe9df389faa15b577b9 [0,1,1,0,0,0|2,0,0]=4 781 B8R0.8 CC(O)C(=O)NCCO 6eae43744294511500b3285e9523f49e [0,1,1,0,0,0|2,0,0]=4 782 B8R0.8 CC(O)C(=O)NCCS e3260ab4fe247ca165e429cfa29782cf [0,1,1,0,0,0|2,0,0]=4 783 B8R0.8 CC(O)C(C)NCC=O e305fe128f0a78b8ad0315156373b87a [0,1,1,0,0,0|2,0,0]=4 784 B8R0.8 CC(S)C(=O)NCCBr 126071a5e51b1b4d749efb8373eb23f1 [0,1,1,0,0,0|2,0,0]=4 785 B8R0.8 CC(S)C(=O)NCCF bd1e9d5683d56052e1e5cebd3f28f61a [0,1,1,0,0,0|2,0,0]=4 786 B8R0.8 CC(S)C(=O)NCCI d038059eeddb4ba2e800fd8c5ef18be5 [0,1,1,0,0,0|2,0,0]=4 787 B8R0.8 CC(S)C(=O)NCCO 3004d33b884c289d9839660aa24797db [0,1,1,0,0,0|2,0,0]=4 788 B8R0.8 CC(S)C(=O)NCCS 94de661ebd08e98861fe24c1031e17a2 [0,1,1,0,0,0|2,0,0]=4 789 B8R0.8 CC(S)C(C)OCC=O be24c910a021f9f13deb5a032f14acad [0,1,1,0,0,0|2,0,0]=4 790 B8R0.8 CCCNC(=O)C(=O)C 6616f52ba2db0bc51edea61ef0a86e36 [0,1,1,0,0,0|1,0,1]=4 791 B8R0.8 CCCNC(=O)C(C)F 26c3e292e8bf81a2774c215b87fe205c [0,1,1,0,0,0|1,0,0]=3 792 B8R0.8 CCCNC(=O)C(C)O 1c4275cc840c120b08a43a51d620d9a2 [0,1,1,0,0,0|1,0,0]=3 793 B8R0.8 CCCNC(=O)C(C)S 14ef60dcd7bf53e38f1b48b3ac0916eb [0,1,1,0,0,0|1,0,0]=3 794 B8R0.8 CCCNC(=O)C(F)F 071dc3f73dcbda1779f15b4fb1ae3271 [0,1,1,0,0,0|2,0,0]=4 795 B8R0.8 CCCNC(=O)C(O)O 1935daac569a1d73c1bfec746173b734 [0,1,1,0,0,0|2,0,0]=4 796 B8R0.8 CCCNC(=O)[C@@H](C)F 56745f27d02daa9bdc007207f8e02ad7 [0,1,1,0,0,0|1,0,0]=3 797 B8R0.8 CCCNC(=O)[C@@H](C)O dd45fdcbcb7fa52143ea0a380ce96207 [0,1,1,0,0,0|1,0,0]=3 798 B8R0.8 CCCNC(=O)[C@H](C)F a5efcba7d8423bf0c2ba50ff959f1165 [0,1,1,0,0,0|1,0,0]=3 799 B8R0.8 CCCNC(=O)[C@H](C)O b394796d74a22374522cf1e72768ff60 [0,1,1,0,0,0|1,0,0]=3 800 B8R0.8 CCCOC(C)C(C)C 86f84b43e39046a302b7ae55be48399d [0,1,1,0,0,0|1,0,1]=4 801 B8R0.8 CCCOC(C)C(C)S 2259d80f2d369dc01415bcec83767bc2 [0,1,1,0,0,0|1,0,1]=4 802 B8R0.8 CCCO[C@@H](C)C(C)C 2f41c5c2bb860ee77833a11f23aa4350 [0,1,1,0,0,0|1,0,1]=4 803 B8R0.8 CCCO[C@H](C)C(C)C 90a86ce0fea165a8278a7b9623fa00c4 [0,1,1,0,0,0|1,0,1]=4 804 B8R0.8 C[C@@H](F)C(=O)NCCI 3800b05361fad7ddfa1629fce9d20fa0 [0,1,1,0,0,0|2,0,0]=4 805 B8R0.8 C[C@@H](F)C(=O)NCCO d7174fc5c801463ae00a56232eff941a [0,1,1,0,0,0|2,0,0]=4 806 B8R0.8 C[C@@H](F)C(=O)NCCS 749fd7706d0ec6e0daade6c7e1cd3708 [0,1,1,0,0,0|2,0,0]=4 807 B8R0.8 C[C@@H](O)C(=O)NCCF a16414928601b2d6fce8684097146547 [0,1,1,0,0,0|2,0,0]=4 808 B8R0.8 C[C@@H](O)C(=O)NCCI 12bd14996ece1fc55d11b04df696dca9 [0,1,1,0,0,0|2,0,0]=4 809 B8R0.8 C[C@@H](O)C(=O)NCCO 35de042b0d140c54bda91feb1cdb127d [0,1,1,0,0,0|2,0,0]=4 810 B8R0.8 C[C@@H](O)C(=O)NCCS 4ea55b84babe82864696fb723221b8ee [0,1,1,0,0,0|2,0,0]=4 811 B8R0.8 C[C@H](F)C(=O)NCCI 5f656c51ae2dfaf00b4ef9a34c71ecd6 [0,1,1,0,0,0|2,0,0]=4 812 B8R0.8 C[C@H](F)C(=O)NCCO 3757477e5dbeaeb7bd7368631f26cff2 [0,1,1,0,0,0|2,0,0]=4 813 B8R0.8 C[C@H](F)C(=O)NCCS 768c95e6a0f1ac131a654b3bd54857ca [0,1,1,0,0,0|2,0,0]=4 814 B8R0.8 C[C@H](O)C(=O)NCCF 9cb153874861efa121a2a3efd64f7b30 [0,1,1,0,0,0|2,0,0]=4 815 B8R0.8 C[C@H](O)C(=O)NCCI fb8bee75ecdef23926c8dd96e5a8446c [0,1,1,0,0,0|2,0,0]=4 816 B8R0.8 C[C@H](O)C(=O)NCCO a8a620bab8ff63cc8d6c82762d26d446 [0,1,1,0,0,0|2,0,0]=4 817 B8R0.8 C[C@H](O)C(=O)NCCS 473cfe5bd499406c2c4ec28ce5acf099 [0,1,1,0,0,0|2,0,0]=4 818 B8R0.8 O=CNCC(O)C(F)F 3ef14eaabef4951903a16b06864da96f [0,1,1,0,0,0|2,0,0]=4 819 B8R0.9 C=C(C)CNC(=O)CC 32c4b91879f81cdaadb4286b48c67a5d [0,1,1,0,0,0|1,0,1]=4 820 B8R0.9 CC(=O)NCC(O)CO a7a306466b1599337a98d4a78b5d781e [0,1,1,0,0,0|2,0,0]=4 821 B8R0.9 CC(=O)NC[C@@H](O)CO a8483dbc09c1c7f138b3ed243987530b [0,1,1,0,0,0|2,0,0]=4 822 B8R0.9 CC(=O)NC[C@H](O)CO 4c725599a6cf504375db5135be307edf [0,1,1,0,0,0|2,0,0]=4 823 B8R0.9 CC(C)CNC(=O)CF 9eb01591588fc3f21824d07c6994c4ce [0,1,1,0,0,0|2,0,0]=4 824 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,1,1,0,0,0|2,0,0]=4 825 B8R0.9 CC(C)CNC(=O)CS 24a37322ef0bc9a4c645dfd16fd4ed0f [0,1,1,0,0,0|2,0,0]=4 826 B8R0.9 CC(O)CNC(=O)CF d59c5e79c77aa7d822e3ecb11dcaef82 [0,1,1,0,0,0|2,0,0]=4 827 B8R0.9 CC(O)CNC(=O)CO 9be864f31d0f9194e8eb36240c465097 [0,1,1,0,0,0|2,0,0]=4 828 B8R0.9 CC(O)CNC(=O)CS dbff926c910e39aef95fc4a90e7f24a8 [0,1,1,0,0,0|2,0,0]=4 829 B8R0.9 CCC(=O)COC(C)C 5c8d297b0416149f24332452b8f0f1e3 [0,1,1,0,0,0|2,0,0]=4 830 B8R0.9 CCC(=O)NCC(=O)C 5911502c3a8395822fc4c0959647e135 [0,1,1,0,0,0|1,0,1]=4 831 B8R0.9 CCC(=O)NCC(C)C 80d4e4c057e6f7b9eae8a2bfacaea014 [0,1,1,0,0,0|1,0,0]=3 832 B8R0.9 CCC(=O)NCC(C)O a0cefa62fd20423cdc1bf66278a42129 [0,1,1,0,0,0|1,0,0]=3 833 B8R0.9 CCC(=O)NCC(F)F 4cc4f3b720e259ef94d2e9ddeae5379b [0,1,1,0,0,0|2,0,0]=4 834 B8R0.9 CCC(=O)NC[C@@H](C)O a391cc3778995f10350211a29d249a09 [0,1,1,0,0,0|1,0,0]=3 835 B8R0.9 CCC(=O)NC[C@H](C)O 700448fc71267e87914b635955ddeec8 [0,1,1,0,0,0|1,0,0]=3 836 B8R0.9 CCC(C)CNC(=O)C aa3f1455f544ac3656d43724f45ee4b6 [0,1,1,0,0,0|2,0,0]=4 837 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,1,1,0,0,0|2,0,0]=4 838 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,1,1,0,0,0|2,0,0]=4 839 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,1,1,0,0,0|2,0,0]=4 840 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,1,1,0,0,0|2,0,0]=4 841 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,1,1,0,0,0|2,0,0]=4 842 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,1,1,0,0,0|2,0,0]=4 843 B8R0.9 CCC(C)OCC(C)C 94adce536ef43774d73b8b91df56b54a [0,1,1,0,0,0|1,0,1]=4 844 B8R0.9 CCC(C)OCC(C)F 86be792ac47322b60f5884dee7e7f674 [0,1,1,0,0,0|1,0,1]=4 845 B8R0.9 CCC(C)OCC(C)S 5ab58589f526e3be72d839617a185ef8 [0,1,1,0,0,0|1,0,1]=4 846 B8R0.9 CCC(C)OC[C@@H](C)F 500b158e44a340e901d363fe297442a0 [0,1,1,0,0,0|1,0,1]=4 847 B8R0.9 CCC(C)OC[C@H](C)F dabe59364c55cabe8959691cbb4cbce5 [0,1,1,0,0,0|1,0,1]=4 848 B8R0.9 CCC(O)CNC(=O)C 303ca77168267846269f8e2248e6c650 [0,1,1,0,0,0|1,0,0]=3 849 B8R0.9 CCN(C)CCC(=O)C 704b8017c1fe42d466a2c16771fe60b9 [0,1,1,0,0,0|2,0,0]=4 850 B8R0.9 CCN(C)CCC(=O)N 8598f908b554962aaf272d88582a793e [0,1,1,0,0,0|2,0,0]=4 851 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,1,1,0,0,0|2,0,0]=4 852 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,1,1,0,0,0|2,0,0]=4 853 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,1,1,0,0,0|2,0,0]=4 854 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,1,1,0,0,0|2,0,0]=4 855 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,1,1,0,0,0|2,0,0]=4 856 B8R0.9 CC[C@@H](C)OCC(C)C 555334e47789bc366cc5b9b7c24f502e [0,1,1,0,0,0|1,0,1]=4 857 B8R0.9 CC[C@@H](O)CNC(=O)C 214f1ff21aca62cdd2be0dae45336745 [0,1,1,0,0,0|1,0,0]=3 858 B8R0.9 CC[C@H](C)CNC(=O)C 7308e3222c110d542936eb43984d990d [0,1,1,0,0,0|2,0,0]=4 859 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,1,1,0,0,0|2,0,0]=4 860 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,1,1,0,0,0|2,0,0]=4 861 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,1,1,0,0,0|2,0,0]=4 862 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,1,1,0,0,0|2,0,0]=4 863 B8R0.9 CC[C@H](C)OCC(C)C 5cf0f20f2e3b8b673a5127012ceee597 [0,1,1,0,0,0|1,0,1]=4 864 B8R0.9 C[C@@H](O)CNC(=O)CF 6a61f49e9c0d24ab6d4f46deb1461e7d [0,1,1,0,0,0|2,0,0]=4 865 B8R0.9 C[C@@H](O)CNC(=O)CO 9634e7d0b81aeff4d0ebcb0b1d05ff89 [0,1,1,0,0,0|2,0,0]=4 866 B8R0.9 C[C@@H](O)CNC(=O)CS 74f2114c184fa00cea5ec42867e295a6 [0,1,1,0,0,0|2,0,0]=4 867 B8R0.9 C[C@H](O)CNC(=O)CF de054442a5e1e940c151636e21f7cde2 [0,1,1,0,0,0|2,0,0]=4 868 B8R0.9 C[C@H](O)CNC(=O)CO a9cb6b1498a706bccaa6d180a5a461c7 [0,1,1,0,0,0|2,0,0]=4 869 B8R0.9 C[C@H](O)CNC(=O)CS a2cc47a92507f6d2ddfbe5205109d70d [0,1,1,0,0,0|2,0,0]=4 870 B8R0.11 C#CC(CC)OCC=O 6fefb61edd2e8e2475e58f9b91cf6195 [0,1,1,0,0,0|2,0,0]=4 871 B8R0.11 C#CC(CC)OCCC ab15fd59c98d539d7d07649312c6ebc3 [0,1,1,0,0,0|1,0,1]=4 872 B8R0.11 C=CC(CC)OCC=O bcc08209503a879d155ff76cac2817f1 [0,1,1,0,0,0|2,0,0]=4 873 B8R0.11 C=CC(CC)OCCC 105fea4587e7e9d452a89f90aa2748e8 [0,1,1,0,0,0|1,0,1]=4 874 B8R0.11 C=CCNC(CC)CO b799cd82e5074fd5b37afaf8b4b4c65c [0,1,1,0,0,0|2,0,0]=4 875 B8R0.11 C=CCN[C@@H](CC)CO 6fb5b02744e8b8591abf79841e3e48e4 [0,1,1,0,0,0|2,0,0]=4 876 B8R0.11 C=CCN[C@H](CC)CO 490621c31d43cdcee71b80e0f765530f [0,1,1,0,0,0|2,0,0]=4 877 B8R0.11 CCC(C#N)OCC=O 251eab7b5166001569a0759e3e518cd8 [0,1,1,0,0,0|2,0,0]=4 878 B8R0.11 CCC(C=O)OCCF 6589c03588b79ef923770a2e5281e8cd [0,1,1,0,0,0|1,0,1]=4 879 B8R0.11 CCC(C=O)OCCS ea764c2bc2338bce8bffce9cca976a1a [0,1,1,0,0,0|1,0,1]=4 880 B8R0.11 CCC(C=O)OCOC fda93f4e64fa70de9b1ea0e38d5ee013 [0,1,1,0,0,0|1,0,1]=4 881 B8R0.11 CCC(CC)CNC=O 0da79cf943d9a8666a9700a2e2e9d7c2 [0,1,1,0,0,0|2,0,0]=4 882 B8R0.11 CCC(CC)NCC=O 66280cf687d8bf89fcc5bb7b86c23426 [0,1,1,0,0,0|2,0,0]=4 883 B8R0.11 CCC(CC)OCC=O f1bfaa22ce246d2b20a4566127462c21 [0,1,1,0,0,0|2,0,0]=4 884 B8R0.11 CCC(CO)CNC=O c5363c7642167dc42bef36aeb0412d90 [0,1,1,0,0,0|1,0,0]=3 885 B8R0.11 CCC(CO)NCC=O 36b8c180c423d05a287bbf37daf06e14 [0,1,1,0,0,0|1,0,0]=3 886 B8R0.11 CCCCN(C=O)CC cdc74e35a30bfd5fd030759b798d1154 [0,1,1,0,0,0|2,0,0]=4 887 B8R0.11 CCCNC(C=O)CC 8b5e0e2daf5f0f35115de8e725402fa5 [0,1,1,0,0,0|1,0,1]=4 888 B8R0.11 CCCOC(C#N)CC 481f0b269a40a36b271d480e84368d21 [0,1,1,0,0,0|1,0,1]=4 889 B8R0.11 CCCOC(C=O)CC 5c5bd3caba387b7aed9948606b55ead9 [0,1,1,0,0,0|0,0,1]=3 890 B8R0.11 CCCOC(CC)CC 148ca867dd0504225a42b1f7b68138cf [0,1,1,0,0,0|1,0,1]=4 891 B8R0.11 CC[C@@H](CO)NCC=O 10f83f8629097d9496f09b4be9046d3f [0,1,1,0,0,0|1,0,0]=3 892 B8R0.11 CC[C@H](CO)NCC=O e160cd29fcd44c5f7399de9cf9ca258f [0,1,1,0,0,0|1,0,0]=3 893 B8R0.11 COC(CNC=O)OC 0c38a158842ed7f3880c5c5bbd35734f [0,1,1,0,0,0|2,0,0]=4 894 B8R0.11 CO[C@@H](CO)CNC=O 8a7cda371cd7c58b3d3d3a1f3b98c540 [0,1,1,0,0,0|2,0,0]=4 895 B8R0.11 O=CCNC(CO)CO 366e76df9a117064ff74d57082453e8a [0,1,1,0,0,0|2,0,0]=4 896 B8R0.11 O=CNCC(CO)CO 5dab1757f6920def9532ee107cc1510d [0,1,1,0,0,0|2,0,0]=4 897 B8R0.25 CCC(C)(C)CNC=O bfe9719bdf7704885d6bfbc86c30f02f [0,1,1,0,0,0|2,0,0]=4 898 B8R0.25 CCC(C)(C)NCC=O aa9ffe26ec7f03a9fb85bbb0f3a65039 [0,1,1,0,0,0|2,0,0]=4 899 B8R0.25 CCC(C)(O)CNC=O 9e4389f6bd3420fa20ce5c3bc35a06da [0,1,1,0,0,0|1,0,0]=3 900 B8R0.7 C#CCCNCC(=O)O a62cfb736e7f82a3494237514cacf08e [0,1,1,0,0,0|0,0,2]=4 901 B8R0.7 C#CCCOCC(=O)O 7b766f5b88fb0ecd599c5abf9efbeabf [0,1,1,0,0,0|0,0,2]=4 902 B8R0.7 C#CCNCCC(=O)O 6efd5e85084acab9c542105691239e32 [0,1,1,0,0,0|0,0,2]=4 903 B8R0.7 C#CCOCCC(=O)O 4db8817d78a49abe243c505f5b6fbd25 [0,1,1,0,0,0|0,0,2]=4 904 B8R0.7 C/C=C/CNCC(=O)O c42f2b1a73316da9e67d3841e3bba390 [0,1,1,0,0,0|0,0,2]=4 905 B8R0.7 C/C=C/COCC(=O)O 226b10d27bfff6e38810e52e502a3510 [0,1,1,0,0,0|0,0,2]=4 906 B8R0.7 C/C=C\CNCC(=O)O f297a0a2509c5e78c48c40fb1dbd770d [0,1,1,0,0,0|0,0,2]=4 907 B8R0.7 C/C=C\COCC(=O)O e58cd13c0ed7a7febac3a76fdbabc6bc [0,1,1,0,0,0|0,0,2]=4 908 B8R0.7 C=C(Br)CCOCCC 724052c822c0bef7448f44a794bff992 [0,1,1,0,0,0|2,0,0]=4 909 B8R0.7 C=C(Br)CNCCCC 7c9c44e81bf00a83350435698bbd8321 [0,1,1,0,0,0|2,0,0]=4 910 B8R0.7 C=C(Br)COCCCC ec6d613824c971053aa03d22d6526bd3 [0,1,1,0,0,0|2,0,0]=4 911 B8R0.7 C=C(C)CCCOCC 36ef5adff872f4dda81f11eae3241c37 [0,1,1,0,0,0|2,0,0]=4 912 B8R0.7 C=C(C)CCNCCC 4d1900f680cbfef6ffe5a77e2294dd65 [0,1,1,0,0,0|2,0,0]=4 913 B8R0.7 C=C(C)CCOCCC 845281f0f16ba18f3aad20093af18d36 [0,1,1,0,0,0|2,0,0]=4 914 B8R0.7 C=C(C)CNCCCC 47f5fb139675fc765be0663116650609 [0,1,1,0,0,0|2,0,0]=4 915 B8R0.7 C=C(C)COCCCC 260d3670dc084e87502d9a9ffe570e3c [0,1,1,0,0,0|2,0,0]=4 916 B8R0.7 C=C(Cl)CNCCCC 8cde48ce042cc357f299abd3d75de5f6 [0,1,1,0,0,0|2,0,0]=4 917 B8R0.7 C=C(Cl)COCCCC b9221f326393a29bb0b2b7fc0007ae8a [0,1,1,0,0,0|2,0,0]=4 918 B8R0.7 C=C(F)CNCCCC d50f3d468cf2542e6029912d15cd6fb8 [0,1,1,0,0,0|2,0,0]=4 919 B8R0.7 C=C(F)COCCCC 985eead93b4fa2eb0f6e6420dae41362 [0,1,1,0,0,0|2,0,0]=4 920 B8R0.7 C=C(I)COCCCC ad06c21e680b3d0f2a946d2102fcc07e [0,1,1,0,0,0|2,0,0]=4 921 B8R0.7 C=CCCNCC(=O)O 76a631439fa66be5cf3013ae0e834c6c [0,1,1,0,0,0|0,0,2]=4 922 B8R0.7 C=CCCOCC(=O)O 0512617a8ef9955ac95bbc007cf463ba [0,1,1,0,0,0|0,0,2]=4 923 B8R0.7 C=CCNCCC(=O)O 4a5debfd45f8c7320860717744993f2a [0,1,1,0,0,0|0,0,2]=4 924 B8R0.7 C=CCOCCC(=O)O 9ce82e4dfa256c2803f66fd7129065f2 [0,1,1,0,0,0|0,0,2]=4 925 B8R0.7 CC#CCNCC(=O)O 839a83969460cb5276f0ce2f33e20420 [0,1,1,0,0,0|0,0,2]=4 926 B8R0.7 CC#CCOCC(=O)O fcec6ff15e4ba99fb579eff8ab750539 [0,1,1,0,0,0|0,0,2]=4 927 B8R0.7 CC(=O)CCCOCF c94204172541830dae5131095b16871b [0,1,1,0,0,0|2,0,0]=4 928 B8R0.7 CC(=O)CCNCCBr 24723ec774300f363e1c4ef5edc15c1c [0,1,1,0,0,0|2,0,0]=4 929 B8R0.7 CC(=O)CCNCCF 40798bc4989369da7dcdf726fe0e87a1 [0,1,1,0,0,0|2,0,0]=4 930 B8R0.7 CC(=O)CCNCCI d7d5a1870b965338fecd7489cd9c07db [0,1,1,0,0,0|2,0,0]=4 931 B8R0.7 CC(=O)CCNCCO a83400d724de744cf447c1456bef989f [0,1,1,0,0,0|2,0,0]=4 932 B8R0.7 CC(=O)CCNCCS 47ae194edd083db7c9ba93ef9079950b [0,1,1,0,0,0|2,0,0]=4 933 B8R0.7 CC(=O)CCOCCF 7fad36a16ea18946b1976097922c5d63 [0,1,1,0,0,0|2,0,0]=4 934 B8R0.7 CC(=O)CCOCCS 9f3db6cd3be1dbc7c558d110015ffb61 [0,1,1,0,0,0|2,0,0]=4 935 B8R0.7 CC(=O)CNCCCF 01d09128914fbef0e9d6c6589849cfeb [0,1,1,0,0,0|2,0,0]=4 936 B8R0.7 CC(=O)CNCCCO 6b18feab134fa1608a1e961ad3762058 [0,1,1,0,0,0|2,0,0]=4 937 B8R0.7 CC(=O)CNCCCS 482b044f1453b6ed81cab115d2862b45 [0,1,1,0,0,0|2,0,0]=4 938 B8R0.7 CC(=O)COCCCF 7e71123e6763570d0b52e6653e8ee828 [0,1,1,0,0,0|2,0,0]=4 939 B8R0.7 CC(=O)COCCCS 638442dc16e5a63efd8808c1ef8dea5e [0,1,1,0,0,0|2,0,0]=4 940 B8R0.7 CC(=O)NCCCCCl ca2b0e10b9c67d6c9ac8f4d9ab4c2b88 [0,1,1,0,0,0|2,0,0]=4 941 B8R0.7 CC(=O)NCCCCO 57936c738ed3f822f33ee01b6260a94e [0,1,1,0,0,0|2,0,0]=4 942 B8R0.7 CC(=O)NCCCCS c05ad9ce2696d1887a7029e678ac4e5e [0,1,1,0,0,0|2,0,0]=4 943 B8R0.7 CC=CCNCC(=O)O ca4b4f47c78da4f7c20abbf90afdb294 [0,1,1,0,0,0|0,0,2]=4 944 B8R0.7 CC=CCOCC(=O)O c8d8ca65cbc2c5e4d49fda8c8e6e7f5b [0,1,1,0,0,0|0,0,2]=4 945 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [0,1,1,0,0,0|1,0,0]=3 946 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [0,1,1,0,0,0|1,0,0]=3 947 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [0,1,1,0,0,0|1,0,0]=3 948 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [0,1,1,0,0,0|0,0,0]=2 949 B8R0.7 CCCCNCC(C)O 931ffaa97d207c9fb7ebac0ec881f8e7 [0,1,1,0,0,0|1,0,1]=4 950 B8R0.7 CCCCNC[C@@H](C)O 4edb0f48a9a733f4509d2f3b0321ae53 [0,1,1,0,0,0|1,0,1]=4 951 B8R0.7 CCCCNC[C@H](C)O 57de7703f075876997013fb957b70c80 [0,1,1,0,0,0|1,0,1]=4 952 B8R0.7 CCCCNC[N+](=O)[O-] b37a4d591c4d5c287e1ebe6ace96f684 [0,1,1,0,0,0|1,0,1]=4 953 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [0,1,1,0,0,0|1,0,0]=3 954 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [0,1,1,0,0,0|1,0,0]=3 955 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [0,1,1,0,0,0|0,0,0]=2 956 B8R0.7 CCCCOCC(=S)N 66f00256fcd5080323facaf554f24131 [0,1,1,0,0,0|1,1,0]=4 957 B8R0.7 CCCCOCS(=O)O 6325931987c0950b79bb089ebdc78c41 [0,1,1,0,0,0|1,0,0]=3 958 B8R0.7 CCCCOC[N+](=O)[O-] 94b3f3bcc50279ace071168fd7298364 [0,1,1,0,0,0|1,0,1]=4 959 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [0,1,1,0,0,0|1,0,0]=3 960 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [0,1,1,0,0,0|1,0,0]=3 961 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [0,1,1,0,0,0|0,0,0]=2 962 B8R0.7 CCCNCCC(=S)N 9bd19729128b21bf5f6ba43475b023e4 [0,1,1,0,0,0|1,1,0]=4 963 B8R0.7 CCCNCCC(C)O ccdd4aef6b342b7b92e15346bf177ff3 [0,1,1,0,0,0|1,0,1]=4 964 B8R0.7 CCCNCCS(=O)C 8907fe98197a1b6e79d094b2d7a6d4a5 [0,1,1,0,0,0|2,0,0]=4 965 B8R0.7 CCCNCCS(=O)O 9ce87a12381c4b5cfe3ec1783a75d72a [0,1,1,0,0,0|1,0,0]=3 966 B8R0.7 CCCNCC[C@@H](C)O 96ed78371080616609e6a19f4bc6ef50 [0,1,1,0,0,0|1,0,1]=4 967 B8R0.7 CCCNCC[C@H](C)O e223e4268330f6aea945d3b98613cfef [0,1,1,0,0,0|1,0,1]=4 968 B8R0.7 CCCNCOC(=O)C 9a03e4459c640878e7dba532d4a06502 [0,1,1,0,0,0|2,0,0]=4 969 B8R0.7 CCCNCSC(=O)N 21ecf184b2a8dc86141aa6b38ac15f2d [0,1,1,0,0,0|2,0,0]=4 970 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [0,1,1,0,0,0|1,0,0]=3 971 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [0,1,1,0,0,0|1,0,0]=3 972 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [0,1,1,0,0,0|0,0,0]=2 973 B8R0.7 CCCOCCS(=O)C 2c35684313aa0effe020f10a0837e485 [0,1,1,0,0,0|2,0,0]=4 974 B8R0.7 CCCOCC[N+](=O)[O-] 11f99b66cb4f802bc9ea03fcd4d8e421 [0,1,1,0,0,0|1,0,1]=4 975 B8R0.7 CCCOCNC(=O)C 6e99cd8c316495881ee605429ae8a169 [0,1,1,0,0,0|2,0,0]=4 976 B8R0.7 CCCOCNC(=O)N 0c3353a650f6a23c649d3b49f74f0755 [0,1,1,0,0,0|2,0,0]=4 977 B8R0.7 CCCOCOC(=O)C 0e004ff978c0c5c886108e25bd8d5e38 [0,1,1,0,0,0|2,0,0]=4 978 B8R0.7 CCCOCSC(=O)N a8d0da169e47db6ff5658c749b630f62 [0,1,1,0,0,0|2,0,0]=4 979 B8R0.7 CCNC/C=C/C(=O)O d0499e3991f67013ba9a4ec4c13f446c [0,1,1,0,0,0|0,0,2]=4 980 B8R0.7 CCNCC#CC(=O)O 451eb2c163912cae12c5d5f7dc6a6856 [0,1,1,0,0,0|0,0,2]=4 981 B8R0.7 CCNCC=CC(=O)O e5cbdf981b4630f2923b926612b3f826 [0,1,1,0,0,0|0,0,2]=4 982 B8R0.7 CCNCCCC(=O)N d2cce21c7501504eb75a33266b0e5999 [0,1,1,0,0,0|1,0,0]=3 983 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [0,1,1,0,0,0|0,0,0]=2 984 B8R0.7 CCNCCCS(=O)C 391b9e72626e76cdd4e5a903c9b4bc67 [0,1,1,0,0,0|2,0,0]=4 985 B8R0.7 CCNCCNC(=O)C 826d20b3d4f7b158aa9991d8c5f577d5 [0,1,1,0,0,0|2,0,0]=4 986 B8R0.7 CCOC/C=C/C(=O)O a4d627c90e9b839f6af237bc31e6e15a [0,1,1,0,0,0|0,0,2]=4 987 B8R0.7 CCOCC#CC(=O)O c98c8c0a09bdc73b6fd1ff1e3aa38396 [0,1,1,0,0,0|0,0,2]=4 988 B8R0.7 CCOCC=CC(=O)O fa82522b856262d89b9f085f9d67d294 [0,1,1,0,0,0|0,0,2]=4 989 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [0,1,1,0,0,0|1,0,0]=3 990 B8R0.7 CCOCCCC(=O)N 32b0b6c66e42630050975d53410c1100 [0,1,1,0,0,0|1,0,0]=3 991 B8R0.7 CCOCCC[N+](=O)[O-] 71c6eb2b7e36ed7d09037020112f4423 [0,1,1,0,0,0|1,0,1]=4 992 B8R0.7 CCOCCNC(=O)C 364422f97eb926237421a47e55dbdc32 [0,1,1,0,0,0|2,0,0]=4 993 B8R0.7 CCOCCNC(=O)N 1d69caaced26be13153afb55af020221 [0,1,1,0,0,0|2,0,0]=4 994 B8R0.7 CCOCCOC(=O)C 65c3fc557763a3804d7e247a1996cb75 [0,1,1,0,0,0|2,0,0]=4 995 B8R0.7 CCOCNCC(=O)C 534404aa2bb4eb60a9a5f4f7d068a4cd [0,1,1,0,0,0|2,0,0]=4 996 B8R0.7 CCOCNCC(=O)N 8c5834421c71bace2ac17791d8413420 [0,1,1,0,0,0|2,0,0]=4 997 B8R0.7 CCOCNCC(=O)O 0cadae74986469dc80946ca8e9bb1b07 [0,1,1,0,0,0|1,0,0]=3 998 B8R0.7 CCOCOCC(=O)C e044734fa15c25bee2b20056cca4f1a8 [0,1,1,0,0,0|2,0,0]=4 999 B8R0.7 CCOCOCC(=O)N 4677b548e92ecffae954122455550d38 [0,1,1,0,0,0|2,0,0]=4 1000 B8R0.7 CCOCOCS(=O)O f0f6516ce26ef8345e6a1b5134db53f6 [0,1,1,0,0,0|2,0,0]=4 1001 B8R0.7 CCSCCNC(=O)C 8c3ea9957cae597313583e7951afded4 [0,1,1,0,0,0|2,0,0]=4 1002 B8R0.7 COCCCNC(=O)C 526fcf80a030c8c3912a63af41d08c51 [0,1,1,0,0,0|2,0,0]=4 1003 B8R0.7 COCCNCC(=O)C 961ddbf961717199cb7ccbe5fdba9647 [0,1,1,0,0,0|2,0,0]=4 1004 B8R0.7 COCCNCC(=O)N 137fcc310030132af81430a136880512 [0,1,1,0,0,0|2,0,0]=4 1005 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [0,1,1,0,0,0|1,0,0]=3 1006 B8R0.7 COCCOCC(=O)C c43dd4e6beb50da293ecb7edbd68b366 [0,1,1,0,0,0|2,0,0]=4 1007 B8R0.7 COCCOCC(=O)N 52e3a5cb41b7881a4ace23e25a8bc04a [0,1,1,0,0,0|2,0,0]=4 1008 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [0,1,1,0,0,0|1,0,0]=3 1009 B8R0.7 COCCOCS(=O)O 9425fd968f35d546d46a8c1e3b670b55 [0,1,1,0,0,0|2,0,0]=4 1010 B8R0.7 COCNCCC(=O)N 75a34d6a21e65f0fa9c3ab03a203332a [0,1,1,0,0,0|2,0,0]=4 1011 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [0,1,1,0,0,0|1,0,0]=3 1012 B8R0.7 COCNCCS(=O)O 9b0f09c32fdad7545dd3373c6db4845f [0,1,1,0,0,0|2,0,0]=4 1013 B8R0.7 COCOCCC(=O)C 85ebfe45bbace861b367f83c75d33358 [0,1,1,0,0,0|2,0,0]=4 1014 B8R0.7 COCOCCC(=O)N dacd263a3e35c03bcd8f525b496ade95 [0,1,1,0,0,0|2,0,0]=4 1015 B8R0.7 COCOCCC(=O)O 1302d1ad564a958c9ef097b350c13897 [0,1,1,0,0,0|1,0,0]=3 1016 B8R0.7 CSCCCNC(=O)C f4b4c7d4d652abb45039c5639b312853 [0,1,1,0,0,0|2,0,0]=4 1017 B8R0.7 CSCCNCC(=O)C 8b0311856afbb6796c6aad3a263d628d [0,1,1,0,0,0|2,0,0]=4 1018 B8R0.7 CSCCNCC(=O)N 4e8fca086c3faa7db23a74b3dfff0f2f [0,1,1,0,0,0|2,0,0]=4 1019 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [0,1,1,0,0,0|1,0,0]=3 1020 B8R0.7 CSCCOCC(=O)C fd4e693f71d7966351ba22f8108e19ff [0,1,1,0,0,0|2,0,0]=4 1021 B8R0.7 CSCCOCC(=O)N c731f0739b7e1ef13acc36f6574a92da [0,1,1,0,0,0|2,0,0]=4 1022 B8R0.7 CSCCOCC(=O)O db65161c67ff612db3780dea90f2a2f8 [0,1,1,0,0,0|1,0,0]=3 1023 B8R0.7 CSCCOCS(=O)O 15541620354d70e96c81747abb1141b3 [0,1,1,0,0,0|2,0,0]=4 1024 B8R0.7 CSCNCCC(=O)N 2c9d140685046003cf9f9ad555d9359d [0,1,1,0,0,0|2,0,0]=4 1025 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [0,1,1,0,0,0|1,0,0]=3 1026 B8R0.7 CSCNCCS(=O)O 14787ffddc12e16cb93df9154674fbee [0,1,1,0,0,0|2,0,0]=4 1027 B8R0.7 CSCOCCC(=O)C b844a3f3dbea733d811f327fadd49286 [0,1,1,0,0,0|2,0,0]=4 1028 B8R0.7 CSCOCCC(=O)N 80656c5e91a3a0e1eab18691c1ff654d [0,1,1,0,0,0|2,0,0]=4 1029 B8R0.7 CSCOCCC(=O)O 729e28748e361be58000ab33275c6b91 [0,1,1,0,0,0|1,0,0]=3 1030 B8R0.7 N#CCCNCC(=O)O 7bfcf1dd2660ba45e086fc214d0fdf1b [0,1,1,0,0,0|1,0,1]=4 1031 B8R0.7 N#CCCOCC(=O)O 913a62d3473039da7a70e24bab5e1d23 [0,1,1,0,0,0|1,0,1]=4 1032 B8R0.7 N#CCNCCC(=O)O 26556793ee589201382d4a045c687d03 [0,1,1,0,0,0|1,0,1]=4 1033 B8R0.7 N#CCOCCC(=O)O 5682b245006f80100a85fc7fd38aef94 [0,1,1,0,0,0|1,0,1]=4 1034 B8R0.7 NC(=O)CCCNCF 69e545c202cd7c9a6342c69c6e6a5f59 [0,1,1,0,0,0|2,0,0]=4 1035 B8R0.7 NC(=O)CCCNCO f70a60c235672d89293f900a8d9cefa7 [0,1,1,0,0,0|2,0,0]=4 1036 B8R0.7 NC(=O)CCCOCF 15f9a4387dce16382a2e493f0dda5b13 [0,1,1,0,0,0|2,0,0]=4 1037 B8R0.7 NC(=O)CCNCCBr ef24ce00bd552b4c7b9798b47e83c534 [0,1,1,0,0,0|2,0,0]=4 1038 B8R0.7 NC(=O)CCNCCF 6b59759188d6118acfcc7c61e6ea8d88 [0,1,1,0,0,0|2,0,0]=4 1039 B8R0.7 NC(=O)CCNCCI 3bfe0d669e39520f94e74660ecea4a46 [0,1,1,0,0,0|2,0,0]=4 1040 B8R0.7 NC(=O)CCNCCO ea9a91e023644befadbf5d244e261bb0 [0,1,1,0,0,0|2,0,0]=4 1041 B8R0.7 NC(=O)CCNCCS c12ed7aa66bfc39da304ecb7c8d6cdd6 [0,1,1,0,0,0|2,0,0]=4 1042 B8R0.7 NC(=O)CCOCCF 21f605ef26e643b6ae8cba650c7f6b82 [0,1,1,0,0,0|2,0,0]=4 1043 B8R0.7 NC(=O)CCOCCS 2a5607f5a17aca280aa8d0bbb5f8e88b [0,1,1,0,0,0|2,0,0]=4 1044 B8R0.7 NC(=O)CNCCCCl 1db53d8b6e8ec0b45f5ac5aea65a66af [0,1,1,0,0,0|2,0,0]=4 1045 B8R0.7 NC(=O)CNCCCF b8df96f83ebeea4472e3f0cf574d5c10 [0,1,1,0,0,0|2,0,0]=4 1046 B8R0.7 NC(=O)CNCCCO f7f428c6be3a0f96cc03fd2549aaf101 [0,1,1,0,0,0|2,0,0]=4 1047 B8R0.7 NC(=O)CNCCCS 0cd1ecba18cd09d4875eb7edc039e565 [0,1,1,0,0,0|2,0,0]=4 1048 B8R0.7 NC(=O)COCCCF 4c181403b43bd0150828aba20f5caec7 [0,1,1,0,0,0|2,0,0]=4 1049 B8R0.7 NC(=O)COCCCS 4ccafd8c8a1e89284daea9397b358185 [0,1,1,0,0,0|2,0,0]=4 1050 B8R0.7 NOCCNCC(=O)O 567becea339978b1d5a450bf35e41e83 [0,1,1,0,0,0|2,0,0]=4 1051 B8R0.7 O=C(O)CCCNCF 670cea18bd6ba2b81ceecb2577e1a7ab [0,1,1,0,0,0|1,0,0]=3 1052 B8R0.7 O=C(O)CCCNCO 6267c5eeb1933064d917e4e814ad9722 [0,1,1,0,0,0|1,0,0]=3 1053 B8R0.7 O=C(O)CCNCCBr 29cc353153febf3a8c067ebc7d4659a9 [0,1,1,0,0,0|1,0,0]=3 1054 B8R0.7 O=C(O)CCNCCF cb03b3b8d9be6ed00316ec8fa58ea22d [0,1,1,0,0,0|1,0,0]=3 1055 B8R0.7 O=C(O)CCNCCI 1fb0bb507aa993f2a3522c41edc93100 [0,1,1,0,0,0|1,0,0]=3 1056 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [0,1,1,0,0,0|1,0,0]=3 1057 B8R0.7 O=C(O)CCNCCS e7b12ac116347e188c56484ce05a8410 [0,1,1,0,0,0|1,0,0]=3 1058 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [0,1,1,0,0,0|1,0,0]=3 1059 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [0,1,1,0,0,0|1,0,0]=3 1060 B8R0.7 O=C(O)CNCCCCl 6975978044558bce000c0ca780485b76 [0,1,1,0,0,0|1,0,0]=3 1061 B8R0.7 O=C(O)CNCCCF 69db0caef1002e94499cf44277421fb3 [0,1,1,0,0,0|1,0,0]=3 1062 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [0,1,1,0,0,0|1,0,0]=3 1063 B8R0.7 O=C(O)CNCCCS 69374183d65b27382aaeea8dfc3bb03c [0,1,1,0,0,0|1,0,0]=3 1064 B8R0.7 O=C(O)COCCCF da2984b4de14bdafc90cabbb14713902 [0,1,1,0,0,0|1,0,0]=3 1065 B8R0.7 O=C(O)COCCCS b637a7d4aac2c64b554918898eb44811 [0,1,1,0,0,0|1,0,0]=3 1066 B8R0.7 O=CCCNCC(=O)O bf4ced9bc1bbfa03663a8c8af093471d [0,1,1,0,0,0|1,0,1]=4 1067 B8R0.7 O=CCCOCC(=O)O ef6505414c853b0dfbd12bbe62edb448 [0,1,1,0,0,0|1,0,1]=4 1068 B8R0.7 O=CCNCCC(=O)O 2746d5d7d8507565af45509ba7bc6f1c [0,1,1,0,0,0|1,0,1]=4 1069 B8R0.7 O=CCOCCC(=O)O de14f86217b2e4a0f4d6c6c831b08e2c [0,1,1,0,0,0|1,0,1]=4 1070 B8R0.7 O=S(O)CCNCCF 6ae83f604fb3678c54ffa14683ab0e36 [0,1,1,0,0,0|2,0,0]=4 1071 B8R0.7 O=S(O)CCNCCO 7974b1bc97ad54f4d29705e06d65fa2c [0,1,1,0,0,0|2,0,0]=4 1072 B8R0.7 O=S(O)CCNCCS 55afdc590ce640566907268f0a80beef [0,1,1,0,0,0|2,0,0]=4 1073 B8R0.7 O=S(O)COCCCF 30d2ec6240fb1c16499271a4f6492117 [0,1,1,0,0,0|2,0,0]=4 1074 B8R0.7 O=S(O)COCCCS beb0163d74ad014150e5e05594464f98 [0,1,1,0,0,0|2,0,0]=4 1075 B8R0.21 CCCNCS(=O)(=O)O c0c272cba9e882210fb295ca9f24006a [0,1,1,0,0,0|2,0,0]=4 1076 B8R0.21 CCNCCS(=O)(=O)O 2a00cc1ab8033a535223ac3984606ce9 [0,1,1,0,0,0|2,0,0]=4 1077 B8R0.21 CCOCCS(=O)(=O)O 2698595bcb393ca998eedd4abca0a0be [0,1,1,0,0,0|2,0,0]=4 1078 B8R0.28 C=C(C)CNCC(=O)O d2fb071764818c27006da68838bfc61e [0,1,1,0,0,0|1,0,1]=4 1079 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [0,1,1,0,0,0|1,0,1]=4 1080 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,1,1,0,0,0|2,0,0]=4 1081 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [0,1,1,0,0,0|1,0,1]=4 1082 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,1,1,0,0,0|2,0,0]=4 1083 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,1,1,0,0,0|2,0,0]=4 1084 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,1,1,0,0,0|2,0,0]=4 1085 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,1,1,0,0,0|2,0,0]=4 1086 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [0,1,1,0,0,0|1,0,1]=4 1087 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,1,1,0,0,0|2,0,0]=4 1088 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,1,1,0,0,0|2,0,0]=4 1089 B8R0.28 CC(=O)NCCC(C)O 9f83d99fdee0bda30ff85f31b4ee4b24 [0,1,1,0,0,0|2,0,0]=4 1090 B8R0.28 CC(=O)NCC[C@@H](C)O 40ba395f3243b6aab3575e45be2f2594 [0,1,1,0,0,0|2,0,0]=4 1091 B8R0.28 CC(=O)NCC[C@H](C)O ac547764dcce609b723a03cd4268cf9c [0,1,1,0,0,0|2,0,0]=4 1092 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,1,1,0,0,0|2,0,0]=4 1093 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,1,1,0,0,0|1,0,0]=3 1094 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,1,1,0,0,0|2,0,0]=4 1095 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,1,1,0,0,0|1,0,0]=3 1096 B8R0.28 CC(C)COCS(=O)O 28c686504a6dcd9fda3dd07e4e3670ff [0,1,1,0,0,0|2,0,0]=4 1097 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,1,1,0,0,0|2,0,0]=4 1098 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,1,1,0,0,0|1,0,0]=3 1099 B8R0.28 CC(C)NCCS(=O)O 263a3deff9fb38c3a098f5239db29a80 [0,1,1,0,0,0|2,0,0]=4 1100 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,1,1,0,0,0|2,0,0]=4 1101 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,1,1,0,0,0|1,0,0]=3 1102 B8R0.28 CC(F)COCC(=O)N e9a9dcc4f520190840a7681321655420 [0,1,1,0,0,0|2,0,0]=4 1103 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [0,1,1,0,0,0|1,0,0]=3 1104 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,1,1,0,0,0|2,0,0]=4 1105 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,1,1,0,0,0|1,0,0]=3 1106 B8R0.28 CC(S)COCC(=O)N 82763365c9d88e903f647e90bafc9568 [0,1,1,0,0,0|2,0,0]=4 1107 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [0,1,1,0,0,0|1,0,0]=3 1108 B8R0.28 CN(C)CNCC(=O)O e6fa8314318b79cfd8ae4ca00ea3b758 [0,1,1,0,0,0|2,0,0]=4 1109 B8R0.28 CN(C)COCC(=O)O fc3ba42b9747b2743ad7eda51803bfcf [0,1,1,0,0,0|2,0,0]=4 1110 B8R0.28 C[C@@H](F)COCC(=O)N 26ec5b6c1520beb81cb66bb9beb36fee [0,1,1,0,0,0|2,0,0]=4 1111 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [0,1,1,0,0,0|1,0,0]=3 1112 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,1,1,0,0,0|2,0,0]=4 1113 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,1,1,0,0,0|1,0,0]=3 1114 B8R0.28 C[C@H](F)COCC(=O)N 7c480ef07c1a9a0730d837d631e998ff [0,1,1,0,0,0|2,0,0]=4 1115 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [0,1,1,0,0,0|1,0,0]=3 1116 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,1,1,0,0,0|2,0,0]=4 1117 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,1,1,0,0,0|1,0,0]=3 1118 B8R0.28 O=C(O)CNCC(F)F 040842ed6827b9851af762c119c56595 [0,1,1,0,0,0|2,0,0]=4 1119 B8R0.28 O=C(O)COCC(F)F 9e8fe105feb56c3ab08ea5459b7002d2 [0,1,1,0,0,0|2,0,0]=4 1120 B8R0.15 CC(C)C(CO)NC=O 4599dc089ca4ab41dc809b8f9c57ccf3 [0,1,1,0,0,0|2,0,0]=4 1121 B8R0.15 CC(C)[C@@H](CO)NC=O 0d34adc915a51568adfe220e0d745358 [0,1,1,0,0,0|2,0,0]=4 1122 B8R0.15 CC(C)[C@H](CO)NC=O da96439986266663459f7b0f7a55fa34 [0,1,1,0,0,0|2,0,0]=4 1123 B8R0.15 CC(O)C(CO)NC=O a83bc38d243cc7dd66411dfc7cf616cd [0,1,1,0,0,0|2,0,0]=4 1124 B8R0.15 CCC(NC=O)C(C)C 86a28708d965127a5e35d4108bf4acb6 [0,1,1,0,0,0|1,0,0]=3 1125 B8R0.15 CCC(OCF)C(C)C 00571321126fa738b7f56d2abdd5da87 [0,1,1,0,0,0|1,0,1]=4 1126 B8R0.15 CCN(CC=O)C(C)C 37df5b9c5ada4224907597a94625cdec [0,1,1,0,0,0|2,0,0]=4 1127 B8R0.15 CCOC(CC)C(C)C 18c5bc69d3aa8233a4f89cf882d20a96 [0,1,1,0,0,0|1,0,1]=4 1128 B8R0.15 CC[C@@H](NC=O)[C@@H](C)O dcbfa4659400af50282bc5c1c117a823 [0,1,1,0,0,0|1,0,0]=3 1129 B8R0.15 CC[C@@H](NC=O)[C@H](C)O c5c798676e16c000997108bcf4ad0269 [0,1,1,0,0,0|1,0,0]=3 1130 B8R0.15 CC[C@H](NC=O)[C@@H](C)O 42d26958659efe0c5f860a37090bf7bf [0,1,1,0,0,0|1,0,0]=3 1131 B8R0.15 C[C@@H](O)[C@@H](CO)NC=O 71ce75effa13d34289145c161a9a07ed [0,1,1,0,0,0|2,0,0]=4 1132 B8R0.15 C[C@@H](O)[C@H](CO)NC=O 436bf598ce041da1afe592374d3894b2 [0,1,1,0,0,0|2,0,0]=4 1133 B8R0.15 C[C@H](O)[C@@H](CO)NC=O 99a1ba04e6ecf906863dabb1ce42f800 [0,1,1,0,0,0|2,0,0]=4 1134 B8R0.15 C[C@H](O)[C@H](CO)NC=O e7ebcffbd2ba75496d597e99f574d8f3 [0,1,1,0,0,0|2,0,0]=4 1135 B8R0.20 CCC(CC)N(C)C=O a695b72f2adae00a27f64539765ed93c [0,1,1,0,0,0|1,0,0]=3 1136 B8R0.22 CCC(CC#N)NC=O ba773f485fe917b32fd2162e6d6e2c97 [0,1,1,0,0,0|1,0,1]=4 1137 B8R0.22 CCC(COC)NC=O 53905710bc62d6f533f443331f56e2bc [0,1,1,0,0,0|1,0,0]=3 1138 B8R0.22 CCC(COC)OCF e4a3f6d1c69a2354f3937d8ddd14d68d [0,1,1,0,0,0|1,0,1]=4 1139 B8R0.22 CCC(CSC)OCF 2ad6205708c499d48b4ee5a13ffd89a9 [0,1,1,0,0,0|1,0,1]=4 1140 B8R0.22 CCCC(CC)OCC 2f33f90cfe6f34bcef6403a269e3e2c2 [0,1,1,0,0,0|1,0,1]=4 1141 B8R0.22 CCCC(CC)OCF ce7c200aebd362fbdb26e3cffa550e7b [0,1,1,0,0,0|1,0,1]=4 1142 B8R0.22 CCCC(CO)NC=O 41f5afc0296d6847bc820d8afc2b5787 [0,1,1,0,0,0|2,0,0]=4 1143 B8R0.22 CCCN(CC)CC=O 10f91472c4600bbc31b6ae1008baca40 [0,1,1,0,0,0|2,0,0]=4 1144 B8R0.22 CCC[C@@H](CC)OCC b58a52b0075a76b2b518807461776ed4 [0,1,1,0,0,0|1,0,1]=4 1145 B8R0.22 CCC[C@@H](CC)OCF 7aa5f0ec7ab4c268dbb1cc54d34ff94b [0,1,1,0,0,0|1,0,1]=4 1146 B8R0.22 CCC[C@@H](CO)NC=O 3c94a70b3970ecaf12f548b2138bdede [0,1,1,0,0,0|2,0,0]=4 1147 B8R0.22 CCC[C@H](CO)NC=O 930af0e5fd8674584b8a8514e2d4657f [0,1,1,0,0,0|2,0,0]=4 1148 B8R0.22 CCN(CC=O)CCCl 4ed90969909b022e2ac83da8060f9efc [0,1,1,0,0,0|2,0,0]=4 1149 B8R0.22 CCN(CC=O)CCO 97dbc0347b45240747141aa67b4d0675 [0,1,1,0,0,0|2,0,0]=4 1150 B8R0.22 CCOC(CC)COC 5abfd343e0b4d1c299a8c6b54e73b27d [0,1,1,0,0,0|1,0,1]=4 1151 B8R0.22 CCOC(CC)CSC 8ed7b9fab73898e63015d64833b57a87 [0,1,1,0,0,0|1,0,1]=4 1152 B8R0.22 CC[C@@H](CC#N)NC=O d1d8f2fe5eae06eb9750607c79e07f98 [0,1,1,0,0,0|1,0,1]=4 1153 B8R0.22 CC[C@H](CC#N)NC=O fabf20f5d4e21823e8aa2b7704696426 [0,1,1,0,0,0|1,0,1]=4 1154 B8R0.22 COCC(CO)NC=O 7cb927b980bd90d760ca02f17ab63be0 [0,1,1,0,0,0|2,0,0]=4 1155 B8R0.22 CSCC(CO)NC=O dbcc07b4bda20d44a07ec89880e75884 [0,1,1,0,0,0|2,0,0]=4 1156 B8R0.22 O=CNC(CO)CCO 1c386d33bbd7c581f75e6c17d6cd6e2e [0,1,1,0,0,0|2,0,0]=4 1157 B8R0.22 O=CN[C@@H](CO)CCO eb8f36be4729f323a89920f2afd3da27 [0,1,1,0,0,0|2,0,0]=4 1158 B8R0.31 CCC(C)(CC)NC=O 762a2a667210d0de1a4458d599d6ab2d [0,1,1,0,0,0|1,0,0]=3 1159 B8R0.31 CCC(C)(CO)NC=O a4d1c715abaa1c2ba8d1506ca165bebc [0,1,1,0,0,0|2,0,0]=4 1160 B8R1.8 CCNC1CC=CC1 a91d0c1c4516e5b7b75119739c97d720 [1,1,0,0,0,0|1,0,1]=4 1161 B8R1.8 CCNC1CCCC1 abbec96cb7bed76391f8cd34a2b780b6 [1,1,0,0,0,0|1,0,1]=4 1162 B8R1.8 CCNC1CCOC1 737206c874ca44bb4105f186d98dceaf [1,1,0,0,0,0|2,0,0]=4 1163 B8R1.8 CCNC1CCSC1 aee8ffe16d160a5605af118e8c8a851c [1,1,0,0,0,0|2,0,0]=4 1164 B8R1.8 CCN[C@@H]1CCOC1 ea8be35858401c72a252c54227d785a4 [1,1,0,0,0,0|2,0,0]=4 1165 B8R1.8 CCN[C@H]1CCOC1 769c9e7ca3f3567a61b1df1f6a912b2d [1,1,0,0,0,0|2,0,0]=4 1166 B8R1.8 CCOC1C=CCC1 162e1fb9b4b82c464c65e76d497ac2cf [1,1,0,0,0,0|1,0,0]=3 1167 B8R1.8 CCOC1CC=CC1 e0d02274580f3ec492bcb66ee71bce9b [1,1,0,0,0,0|1,0,1]=4 1168 B8R1.8 CCOC1CCCC1 ce4ece9e93729f2dc32c7121b6646f41 [1,1,0,0,0,0|1,0,1]=4 1169 B8R1.8 CCOC1CCCO1 ace7c24bdcea053e870832c56c8928c4 [1,1,0,0,0,0|0,0,1]=3 1170 B8R1.8 CCOC1CCOC1 84e689fe0b2aea2f8383349931affd9e [1,1,0,0,0,0|2,0,0]=4 1171 B8R1.8 CCOC1CCSC1 04aaf8fedcad347e8e4be0984e30209b [1,1,0,0,0,0|2,0,0]=4 1172 B8R1.8 CCO[C@@H]1CCOC1 dbd17ccad3cb41f9c7226e5aa5839784 [1,1,0,0,0,0|2,0,0]=4 1173 B8R1.8 CCO[C@@H]1CCSC1 6024b564e26ca7e04d7b02930d2316cc [1,1,0,0,0,0|2,0,0]=4 1174 B8R1.8 CCO[C@H]1CCOC1 086f16e0470dc00d3e8d35a058f10144 [1,1,0,0,0,0|2,0,0]=4 1175 B8R1.8 CCO[C@H]1CCSC1 2e0bfb0e7ce3291350197a8c174a6264 [1,1,0,0,0,0|2,0,0]=4 1176 B8R1.8 FCOC1C=CCC1 9fec25c0ebf5ce1b96c88649717611cf [1,1,0,0,0,0|2,0,0]=4 1177 B8R1.8 FCOC1CCCO1 341775c5b3881699fcb9a13a61611ec4 [1,1,0,0,0,0|1,0,1]=4 1178 B8R1.12 CCC1CCN1C=O 4d6ef5a44aefaf3ec9d57c4c6afb459e [0,1,0,0,1,0|1,0,0]=3 1179 B8R1.12 CCC1CCN1CC 821fbbe29ed1b9d1547efa94187e7e9f [0,1,0,0,1,0|2,0,0]=4 1180 B8R1.12 CCC1CCN1CF 2af23cf7c66aae8dbbf135025a194011 [0,1,0,0,1,0|2,0,0]=4 1181 B8R1.12 CCC1CCN1CO caf0ac1fced23c53f6877050d9fa7187 [0,1,0,0,1,0|1,0,1]=4 1182 B8R1.12 O=CN1CCC1CO edd971460a08454ceeb6be017da9f618 [0,1,0,0,1,0|2,0,0]=4 1183 B8R1.12 O=CN1CC[C@@H]1CO ce19f0bce3454d05cb7c121458132ef7 [0,1,0,0,1,0|2,0,0]=4 1184 B8R1.12 O=CN1CC[C@H]1CO e22630134adf9d5eaa8ff5bdd2c4924a [0,1,0,0,1,0|2,0,0]=4 1185 B8R1.13 CCNC1CCC1F 1ca365aa3a03dba2f96f4cadc68f780e [0,1,0,0,1,0|1,0,1]=4 1186 B8R1.13 CCNC1CCC1O fb70cd93332b5942b9400efe3b54dca5 [0,1,0,0,1,0|0,0,2]=4 1187 B8R1.13 CCN[C@@H]1CC[C@@H]1O a44a1131ac7553e4f969af4276e28d55 [0,1,0,0,1,0|0,0,2]=4 1188 B8R1.13 CCN[C@@H]1CC[C@H]1C b2a7a1306f6d284a439c237328784f14 [0,1,0,0,1,0|1,0,1]=4 1189 B8R1.13 CCN[C@@H]1CC[C@H]1O 4f0278655b9d968ff2d102bbaed0b37a [0,1,0,0,1,0|0,0,2]=4 1190 B8R1.13 CCN[C@H]1CC[C@@H]1O 3bed658078592c5d2659e64ff05d8887 [0,1,0,0,1,0|0,0,2]=4 1191 B8R1.13 CCN[C@H]1CC[C@H]1C afc3ebb3c9df554bbf3e4778dd720d68 [0,1,0,0,1,0|1,0,1]=4 1192 B8R1.13 CCN[C@H]1CC[C@H]1O 89451e4a9e80a1548ed036e94f478963 [0,1,0,0,1,0|0,0,2]=4 1193 B8R1.13 CCN[C@H]1CNC1=O f3f57bd052f649487c4a2d7e92b0d01a [0,1,0,0,1,0|1,0,0]=3 1194 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,1,0,0,1,0|0,0,0]=2 1195 B8R1.13 N#CNC1CCC1=O 6fef62f5b6597e2c0a9f8080852ec84e [0,1,0,0,1,0|1,0,1]=4 1196 B8R1.13 O=C1CCC1OCF acbe5648e5fa1bf2d12fcf8dac78f593 [0,1,0,0,1,0|1,0,0]=3 1197 B8R1.13 O=C1NC[C@@H]1NCF 0d76b77004abe2bde2fffde83ac370da [0,1,0,0,1,0|2,0,0]=4 1198 B8R1.13 O=C1NC[C@@H]1NCO 13e7ef24d5bda6a447193e9ab8c1b3ed [0,1,0,0,1,0|2,0,0]=4 1199 B8R1.6 CCOC1CC(=O)C1 7245371a51b98874574252c09e474e49 [0,1,0,0,1,0|1,0,0]=3 1200 B8R1.6 O=C1CC(C1)OCF c33823c82929be54a27457e340273af2 [0,1,0,0,1,0|2,0,0]=4 1201 B8R1.47 CCC1CN(C1)C=O 9645ce44596bcd4aa700308ce0a15fd2 [0,1,0,0,1,0|2,0,0]=4 1202 B10R1.1 CCNC1CCC(=O)NC1 e3f14e328a85b0d8d9acfadf4252f173 [0,1,0,0,0,1|1,0,0]=3 1203 B10R1.1 CCN[C@@H]1CCC(=O)NC1 62cc5a0293c2362f08dace0840c8347c [0,1,0,0,0,1|1,0,0]=3 1204 B10R1.1 CCN[C@H]1CCC(=O)NC1 05f5c81c267626e2d5daa14fa8ca4b88 [0,1,0,0,0,1|1,0,0]=3 1205 B10R1.1 CCOC1C=CC(=O)CO1 e4144717950b2a41c687bf170e857eac [0,1,0,0,0,1|0,0,2]=4 1206 B10R1.1 CCOC1CC=C(CC1)Br 2979f34f4d6e5e64025f902befb745a7 [0,1,0,0,0,1|2,0,0]=4 1207 B10R1.1 CCOC1CCC(=O)CC1 d1d3f9318a82ae97f7b95eef0a713ebb [0,1,0,0,0,1|1,0,0]=3 1208 B10R1.1 CCOC1CCC(=O)NC1 3dfc00b9b98d49ff67cc2f754b359401 [0,1,0,0,0,1|1,0,0]=3 1209 B10R1.1 CCOC1CCC(=O)OC1 e60ba9c5652dbbf54ee2fca7f59aa295 [0,1,0,0,0,1|0,0,0]=2 1210 B10R1.1 CCOC1CNC(=O)NC1 243e2ac409f0ac43670e4ddca28266e9 [0,1,0,0,0,1|2,0,0]=4 1211 B10R1.1 CCO[C@@H]1CCC(=O)NC1 6cec2402da889a24cc73ec51bdffdb78 [0,1,0,0,0,1|1,0,0]=3 1212 B10R1.1 CCO[C@H]1CCC(=O)NC1 c59ded9c23d8bfa6dbc41b3fef3ebf77 [0,1,0,0,0,1|1,0,0]=3 1213 B10R1.1 O=C1CCC(CC1)OCF 78350f958fb8829bb962a0ae21ab037b [0,1,0,0,0,1|2,0,0]=4 1214 B10R1.1 O=C1CCC(CN1)NCF bda602da47c282369b34b4ec7216439e [0,1,0,0,0,1|2,0,0]=4 1215 B10R1.1 O=C1CCC(CN1)NCO a0a9540a3249863eeb0b233c7c64165d [0,1,0,0,0,1|2,0,0]=4 1216 B10R1.1 O=C1CCC(CN1)OCF 2c411d8f7d1a9101cdc7ea8954cbdf2a [0,1,0,0,0,1|2,0,0]=4 1217 B10R1.1 O=C1CCC(CO1)OCF 2ede05c50c96239faa2b18b61385a030 [0,1,0,0,0,1|1,0,0]=3 1218 B10R1.1 O=C1CC[C@@H](CN1)NCF 6f22a42b3639cfa55f982eff258dcb2f [0,1,0,0,0,1|2,0,0]=4 1219 B10R1.1 O=C1CC[C@@H](CN1)NCO 54ce80292ad98822c7b715cb21def7d6 [0,1,0,0,0,1|2,0,0]=4 1220 B10R1.1 O=C1CC[C@@H](CN1)OCF 83c7e6e6fa992d5f125d656d5a7d2687 [0,1,0,0,0,1|2,0,0]=4 1221 B10R1.1 O=C1CC[C@H](CN1)NCF 21a7b8a4a4bcb073c4b1f0b151c15cda [0,1,0,0,0,1|2,0,0]=4 1222 B10R1.1 O=C1CC[C@H](CN1)NCO f2a42b4d5da3548c4ae61e937ede1b85 [0,1,0,0,0,1|2,0,0]=4 1223 B10R1.1 O=C1CC[C@H](CN1)OCF 35ea27ef72ac529d43a22763505bbfaa [0,1,0,0,0,1|2,0,0]=4 1224 B10R1.3 CCC1CCN(CC1)C=O 0f7c00c20a40ae5056ab69ed4bc07700 [0,1,0,0,0,1|2,0,0]=4 1225 B10R1.176 CCN1CCC(=O)C(C1)C d97a66b8040cca31e51b31093b1b9d46 [0,1,0,0,0,1|2,0,0]=4 1226 B10R1.2 CCN1CCNC(=O)C1C 1949861d0793b6b8ae03ec2b2a69e898 [0,1,0,0,0,1|2,0,0]=4 1227 B10R1.2 CCN1CCNC(=O)[C@@H]1C c4a51bd1554d96874590f7d4cc1487c6 [0,1,0,0,0,1|2,0,0]=4 1228 B10R1.2 CCN1CCNC(=O)[C@H]1C bcec31f94ef37df55f250b70fe9271ce [0,1,0,0,0,1|2,0,0]=4 1229 B10R1.8 CCN1CC(=O)NC(C1)C 58e7c13b9960d75f4ce605e135b0f2fe [0,1,0,0,0,1|2,0,0]=4 1230 B10R1.8 CCN1CC(=O)N[C@@H](C1)C 5379bedf224a2fc026d78f75a235dc04 [0,1,0,0,0,1|2,0,0]=4 1231 B10R1.8 CCN1CC(=O)N[C@H](C1)C 2ad7ca617147c06f612a58c71c71da4e [0,1,0,0,0,1|2,0,0]=4 1232 B10R1.10 CCCN1CCCC(=O)C1 7297bca07aecf137a110922d2e01ce93 [0,1,0,0,0,1|2,0,0]=4 1233 B10R1.10 CCCN1CCNC(=O)C1 d8e989a714f7948a3d5167ce4cee8b3b [0,1,0,0,0,1|2,0,0]=4 1234 B10R1.10 CCCN1CCOC(=O)C1 32566a616273931864f84b8dc9e1db89 [0,1,0,0,0,1|2,0,0]=4 1235 B10R1.10 CCNC1CCNC(=O)C1 479099502481b0bb9404cd03f14296cc [0,1,0,0,0,1|1,0,0]=3 1236 B10R1.10 CCN[C@@H]1CCNC(=O)C1 9e0e4a482e7d76c713bd53a977e4018c [0,1,0,0,0,1|1,0,0]=3 1237 B10R1.10 CCN[C@H]1CCNC(=O)C1 8a31d87f498d620fd6d53bbabeec5703 [0,1,0,0,0,1|1,0,0]=3 1238 B10R1.10 CCOC1C=C(CCC1)C d9eb6c6cd48b33da0c9d05cf485ca643 [0,1,0,0,0,1|2,0,0]=4 1239 B10R1.10 CCOC1C=C(COC1)Br 5e1857037e3576a06d5bbcd1efb9c3d1 [0,1,0,0,0,1|2,0,0]=4 1240 B10R1.10 CCOC1CCCC(=O)C1 7694e8ef5c808ba4dfd648fc2fdd5673 [0,1,0,0,0,1|1,0,0]=3 1241 B10R1.10 CCOC1CCNC(=O)C1 d6924d66bc2960427a5aa83c3b834b70 [0,1,0,0,0,1|1,0,0]=3 1242 B10R1.10 CCO[C@@H]1CCNC(=O)C1 2becd24c03a17e28797b47c03861b891 [0,1,0,0,0,1|1,0,0]=3 1243 B10R1.10 CCO[C@H]1CCNC(=O)C1 0c306295dc6c1bac8cf8e49e072469f8 [0,1,0,0,0,1|1,0,0]=3 1244 B10R1.10 COCN1CCCC(=O)C1 317af02d006d13a065b06a81b628f169 [0,1,0,0,0,1|2,0,0]=4 1245 B10R1.10 COCN1CCNC(=O)C1 0892f7e22849799e71988f53c756f8c5 [0,1,0,0,0,1|2,0,0]=4 1246 B10R1.10 COCN1CCOC(=O)C1 1f678b780528d8dd6ae8707466e83f96 [0,1,0,0,0,1|2,0,0]=4 1247 B10R1.10 CSCN1CCCC(=O)C1 b21514babe8d2894f6c60bd55dd61e0c [0,1,0,0,0,1|2,0,0]=4 1248 B10R1.10 CSCN1CCNC(=O)C1 9bc3cc3b232fae45ace382828b90121d [0,1,0,0,0,1|2,0,0]=4 1249 B10R1.10 CSCN1CCOC(=O)C1 ba931a4611f1eae2ed2dcd6a30007c61 [0,1,0,0,0,1|2,0,0]=4 1250 B10R1.10 O=C1CC(CCN1)NCF 7a835b4abf83f642783dfd9a0c32e6ca [0,1,0,0,0,1|2,0,0]=4 1251 B10R1.10 O=C1CC(CCN1)NCO 0c7374984516c1745cd09de8ffda0fa2 [0,1,0,0,0,1|2,0,0]=4 1252 B10R1.10 O=C1CC(CCN1)OCF c12a2223dbd89b7f0cb18c0ed6ec81a9 [0,1,0,0,0,1|2,0,0]=4 1253 B10R1.10 O=C1CCCC(C1)OCF 3ef4074d9d8cde512776f61233cdd122 [0,1,0,0,0,1|2,0,0]=4 1254 B10R1.10 O=C1CCCN(C1)CCF df6897b009456e691cbb1a32e848f708 [0,1,0,0,0,1|2,0,0]=4 1255 B10R1.10 O=C1CCCN(C1)CCO 6865bbc1bbed842c379aefac569dc87d [0,1,0,0,0,1|2,0,0]=4 1256 B10R1.10 O=C1CCCN(C1)CCS d9f8fccd11178e50e7151700008525ca [0,1,0,0,0,1|2,0,0]=4 1257 B10R1.10 O=C1CN(CCN1)CCF 4943683fff8d57ebc360fe8404e45069 [0,1,0,0,0,1|2,0,0]=4 1258 B10R1.10 O=C1CN(CCN1)CCO 850c29d0618d59b5858f2d77130624fd [0,1,0,0,0,1|2,0,0]=4 1259 B10R1.10 O=C1CN(CCN1)CCS 20dc1af2f69af1dddf962f1fd573bbef [0,1,0,0,0,1|2,0,0]=4 1260 B10R1.10 O=C1CN(CCO1)CCF 3203cb1562e696348ba1ee3b691431ea [0,1,0,0,0,1|2,0,0]=4 1261 B10R1.10 O=C1CN(CCO1)CCO b61cc9af051cfe4ea23a0c44d1e79e3f [0,1,0,0,0,1|2,0,0]=4 1262 B10R1.10 O=C1CN(CCO1)CCS 51d95f2a46cf96d74a6eaef127922c9e [0,1,0,0,0,1|2,0,0]=4 1263 B10R1.10 O=C1C[C@@H](CCN1)NCF 67dcb02258bac1102d9f8ea8db5c0c56 [0,1,0,0,0,1|2,0,0]=4 1264 B10R1.10 O=C1C[C@@H](CCN1)NCO a831a67bdc955e2a763b21021344b657 [0,1,0,0,0,1|2,0,0]=4 1265 B10R1.10 O=C1C[C@@H](CCN1)OCF ed4ec2cbc87e456ae7136ca9bef968de [0,1,0,0,0,1|2,0,0]=4 1266 B10R1.10 O=C1C[C@H](CCN1)NCF ca7227f1c557ff36ec212435e80ef895 [0,1,0,0,0,1|2,0,0]=4 1267 B10R1.10 O=C1C[C@H](CCN1)NCO f45cbe6c410fbb15683f964fb87dfefb [0,1,0,0,0,1|2,0,0]=4 1268 B10R1.10 O=C1C[C@H](CCN1)OCF 06af1737e897ce607d618daa23e70335 [0,1,0,0,0,1|2,0,0]=4 1269 B10R1.30 CCN1CC(=O)NCC1C 5d3ef9320a404fa74540da48e92ed823 [0,1,0,0,0,1|2,0,0]=4 1270 B10R1.30 CCN1CC(=O)NC[C@@H]1C 801e297755e1037bac07c3c33e73eb5c [0,1,0,0,0,1|2,0,0]=4 1271 B10R1.30 CCN1CC(=O)NC[C@H]1C 3a77f88312708bef1a80d56339b93d2a [0,1,0,0,0,1|2,0,0]=4 1272 B10R1.113 CC(C)N1CCCC(=O)C1 68d41201ab078f64eb64f8bf262cabc1 [0,1,0,0,0,1|2,0,0]=4 1273 B10R1.113 CC(C)N1CCNC(=O)C1 4cbfb834f301ca15ca9d3d9f621d8746 [0,1,0,0,0,1|2,0,0]=4 1274 B10R1.113 CC(C)N1CCOC(=O)C1 8aa7e803f7ef2f776de242d3abd6b117 [0,1,0,0,0,1|2,0,0]=4 1275 B10R1.172 CCC1CCCN(C1)C=O ebb5f49a23f9ba47a405491329eb8ec3 [0,1,0,0,0,1|2,0,0]=4 1276 B10R1.172 CCC1CN(CCO1)C=O f8018d8cfb7077bc6b9f0e5e7372167c [0,1,0,0,0,1|2,0,0]=4 1277 B10R1.172 CC[C@@H]1CN(CCO1)C=O 390e2095dd36170fb72a7d5cd264e7ae [0,1,0,0,0,1|2,0,0]=4 1278 B10R1.172 CC[C@H]1CN(CCO1)C=O 8da636dfeeee1570cf8c01c0814bfb71 [0,1,0,0,0,1|2,0,0]=4 1279 B10R1.14 CCN(C)C1CNC(=O)C1 58a28d3eca30a9b8cdf84fb3ce1bdf43 [0,2,0,0,0,0|2,0,0]=4 1280 B10R1.16 C#CCOC1CCC(=O)C1 e0497c5e438916ba4b74ac39822c7c7d [0,2,0,0,0,0|1,0,1]=4 1281 B10R1.16 C=CCOC1CCC(=O)C1 e2c72a725bc575f60033eab214d2094d [0,2,0,0,0,0|1,0,1]=4 1282 B10R1.16 CC1CCC(O1)COCF 24b966c5819f65ec95e0fb053b0f6398 [0,2,0,0,0,0|1,0,1]=4 1283 B10R1.16 CCCNC1CNC(=O)C1 35d5e3b097849aab566cce8890869260 [0,2,0,0,0,0|2,0,0]=4 1284 B10R1.16 CCCN[C@@H]1CNC(=O)C1 051cf0147f8a99fbc0924cefcf322cca [0,2,0,0,0,0|2,0,0]=4 1285 B10R1.16 CCCN[C@H]1CNC(=O)C1 7cea076bfed9e270d22e944eec1d557a [0,2,0,0,0,0|2,0,0]=4 1286 B10R1.16 CCCOC1=CC(=O)CC1 a2353883a2bd2b42e0a88c8646a1e90b [0,2,0,0,0,0|1,0,1]=4 1287 B10R1.16 CCCOC1C=CC(=O)O1 ec85feedde51258c7e7f449139265d27 [0,2,0,0,0,0|0,0,2]=4 1288 B10R1.16 CCCOC1CCC(=O)C1 0118665d271ddbcc63e9ba5f111fa1f6 [0,2,0,0,0,0|1,0,0]=3 1289 B10R1.16 CCCOC1CNC(=O)C1 0f15cee0a2759025c047bc54ce0080e3 [0,2,0,0,0,0|2,0,0]=4 1290 B10R1.16 CCCOC1COC(=O)C1 ca0ac5731bd984eaa0698f1cba3edf6a [0,2,0,0,0,0|2,0,0]=4 1291 B10R1.16 CCCO[C@@H]1CNC(=O)C1 61a5ac0fba08becf910c02802fbd53bf [0,2,0,0,0,0|2,0,0]=4 1292 B10R1.16 CCCO[C@@H]1COC(=O)C1 e7d18da29ffe80b08db4c6cd7cf2389d [0,2,0,0,0,0|2,0,0]=4 1293 B10R1.16 CCCO[C@H]1CNC(=O)C1 1aec5b2052828c55ce00f017788b3401 [0,2,0,0,0,0|2,0,0]=4 1294 B10R1.16 CCCO[C@H]1COC(=O)C1 52385ae9526d9d0546f0e633bba5aca7 [0,2,0,0,0,0|2,0,0]=4 1295 B10R1.16 CCNCC1CCC(=O)N1 b2d4e2d5e4524f1edb7bc0ead8723922 [0,2,0,0,0,0|1,0,0]=3 1296 B10R1.16 CCNCC1CNC(=O)C1 94246a3528a078628d4d42a9d48429d0 [0,2,0,0,0,0|2,0,0]=4 1297 B10R1.16 CCNC[C@@H]1CCC(=O)N1 0c12878ef047aa579a235990ce95252d [0,2,0,0,0,0|1,0,0]=3 1298 B10R1.16 CCNC[C@@H]1CNC(=O)C1 ccee0d8d0ac64bde793ef5dab31e197e [0,2,0,0,0,0|2,0,0]=4 1299 B10R1.16 CCNC[C@H]1CCC(=O)N1 7bf56d86ba2fc8887a82e9543391075b [0,2,0,0,0,0|1,0,0]=3 1300 B10R1.16 CCOCC1C=CC(=O)O1 3d114fda6fc7a21d274206eff0482ba4 [0,2,0,0,0,0|0,0,2]=4 1301 B10R1.16 CCOCC1CCC(=O)C1 b2309fa8aecb08cd924e47f5abc4efec [0,2,0,0,0,0|1,0,0]=3 1302 B10R1.16 CCOCC1CCC(=O)N1 284faa06f6b7af7d2360d6923bd2c548 [0,2,0,0,0,0|1,0,0]=3 1303 B10R1.16 CCOCC1CCC(=O)O1 68878c40f0d88997c0eac48c9395a889 [0,2,0,0,0,0|0,0,0]=2 1304 B10R1.16 CCOCC1CCC(O1)C 8e264e7c24328ed86afa8787e8a69f5c [0,2,0,0,0,0|1,0,1]=4 1305 B10R1.16 CCOCC1CNC(=O)C1 86e912d738a20b3bce8d2d023b32843b [0,2,0,0,0,0|2,0,0]=4 1306 B10R1.16 CCOCC1CNC(=O)N1 78abd0b3bc190fd57610ab2d11b44a0d [0,2,0,0,0,0|2,0,0]=4 1307 B10R1.16 CCOCC1COC(=O)C1 fc8d2c528c0ba949e1ac94feca85512f [0,2,0,0,0,0|2,0,0]=4 1308 B10R1.16 CCOC[C@@H]1C=CC(=O)O1 4a5383ca9bc98f8e8a857df0bb6a3aea [0,2,0,0,0,0|0,0,2]=4 1309 B10R1.16 CCOC[C@@H]1CCC(=O)C1 886f2aa7068de127dafbb03846e349d5 [0,2,0,0,0,0|1,0,0]=3 1310 B10R1.16 CCOC[C@@H]1CCC(=O)N1 8fb17a976e393d6121213afd4ad838e4 [0,2,0,0,0,0|1,0,0]=3 1311 B10R1.16 CCOC[C@@H]1CCC(=O)O1 fa116338e507c856f655864f1fa338d4 [0,2,0,0,0,0|0,0,0]=2 1312 B10R1.16 CCOC[C@@H]1CC[C@@H](O1)C 4f0c512b610bf512c3ea8df23193a17f [0,2,0,0,0,0|1,0,1]=4 1313 B10R1.16 CCOC[C@@H]1CNC(=O)C1 ec267f7bf97fe9b9e67f9dfc5e47932b [0,2,0,0,0,0|2,0,0]=4 1314 B10R1.16 CCOC[C@H]1CCC(=O)N1 c8b2e4099128fd5dbf4dcb633abb5f4e [0,2,0,0,0,0|1,0,0]=3 1315 B10R1.16 CCOC[C@H]1CCC(=O)O1 5ea62a9b88a47b06d381abba60ed3ed7 [0,2,0,0,0,0|0,0,0]=2 1316 B10R1.16 CCOC[C@H]1CNC(=O)C1 832dffb8e86308c043973940695a735b [0,2,0,0,0,0|2,0,0]=4 1317 B10R1.16 COCNC1CNC(=O)C1 c9a0071073664b011a9836b712673a61 [0,2,0,0,0,0|2,0,0]=4 1318 B10R1.16 COCN[C@@H]1CNC(=O)C1 8ea7bde88774bab0e947bf5af08d8679 [0,2,0,0,0,0|2,0,0]=4 1319 B10R1.16 COCN[C@H]1CNC(=O)C1 a1fbc34e52628b7d15bce5aa5f5c6d7c [0,2,0,0,0,0|2,0,0]=4 1320 B10R1.16 COCOC1=CC(=O)CC1 438c9509f766d67fe1e4c65e974b7432 [0,2,0,0,0,0|1,0,1]=4 1321 B10R1.16 COCOC1C=CC(=O)O1 1f845ff16db20107f7dca6a5a924d553 [0,2,0,0,0,0|0,0,2]=4 1322 B10R1.16 COCOC1CCC(=O)C1 3f0670be66776efa2650c7f8f8ff9f23 [0,2,0,0,0,0|1,0,0]=3 1323 B10R1.16 COCOC1CNC(=O)C1 dd7796f3b756704a73dfd87bc04853c4 [0,2,0,0,0,0|2,0,0]=4 1324 B10R1.16 COCOC1COC(=O)C1 8b13a952cb050cbfae04cb59b0e0a4ee [0,2,0,0,0,0|2,0,0]=4 1325 B10R1.16 COCO[C@@H]1CNC(=O)C1 1233a6c75f5774489567434e7aba4c6b [0,2,0,0,0,0|2,0,0]=4 1326 B10R1.16 COCO[C@@H]1COC(=O)C1 814859df33378fbb34b1b2abaee9701f [0,2,0,0,0,0|2,0,0]=4 1327 B10R1.16 COCO[C@H]1CNC(=O)C1 8dafd016ae8ee511584007721e7f8df0 [0,2,0,0,0,0|2,0,0]=4 1328 B10R1.16 COCO[C@H]1COC(=O)C1 55ef16b2eb968a759df4e7aaad4653a9 [0,2,0,0,0,0|2,0,0]=4 1329 B10R1.16 CSCNC1CNC(=O)C1 92d35b876b165ff5dd8e8e5f5f190f49 [0,2,0,0,0,0|2,0,0]=4 1330 B10R1.16 CSCN[C@@H]1CNC(=O)C1 d9b91fe92cc8500e32eac0577d0b041e [0,2,0,0,0,0|2,0,0]=4 1331 B10R1.16 CSCN[C@H]1CNC(=O)C1 e7edaca9d72f68b3c8c686d49307c9ad [0,2,0,0,0,0|2,0,0]=4 1332 B10R1.16 CSCOC1=CC(=O)CC1 c6fbd2a22c2e376b9e078a11836cb4c7 [0,2,0,0,0,0|1,0,1]=4 1333 B10R1.16 CSCOC1C=CC(=O)O1 8c3778b55b7edf41225873b14db1c287 [0,2,0,0,0,0|0,0,2]=4 1334 B10R1.16 CSCOC1CNC(=O)C1 b60327bf8f136751d7e8475d12889b32 [0,2,0,0,0,0|2,0,0]=4 1335 B10R1.16 CSCOC1COC(=O)C1 cbd009c4c5a840fe00e101587c94141a [0,2,0,0,0,0|2,0,0]=4 1336 B10R1.16 CSCO[C@@H]1CNC(=O)C1 8ee66b12d37dacbbf6c5130ea24cb84e [0,2,0,0,0,0|2,0,0]=4 1337 B10R1.16 CSCO[C@@H]1COC(=O)C1 4aa6fae240bcf7abc3d45a90c77b7a3e [0,2,0,0,0,0|2,0,0]=4 1338 B10R1.16 CSCO[C@H]1CNC(=O)C1 ce7e2bc1dd77bf7fd0fb3ec02fb689a2 [0,2,0,0,0,0|2,0,0]=4 1339 B10R1.16 CSCO[C@H]1COC(=O)C1 c09873df08b2f469271ead3aaddfad2e [0,2,0,0,0,0|2,0,0]=4 1340 B10R1.16 C[C@H]1CC[C@H](O1)COCF eea6c3f0185a7d888ea7ed2678840e3c [0,2,0,0,0,0|1,0,1]=4 1341 B10R1.16 N#CCOC1CCC(=O)C1 af251686f2101b6ed0de402d3ecde898 [0,2,0,0,0,0|1,0,1]=4 1342 B10R1.16 N#CNCC1CCC(=O)N1 bdc368661bdef1499ac21ec2e14ddb94 [0,2,0,0,0,0|1,0,1]=4 1343 B10R1.16 N#CNCC1CCC(=O)O1 d1feb09aa3de614ae65e7a42fe595b79 [0,2,0,0,0,0|0,0,1]=3 1344 B10R1.16 N#CNC[C@@H]1CCC(=O)N1 05e14fb740cc7865c324044e3d2deca3 [0,2,0,0,0,0|1,0,1]=4 1345 B10R1.16 N#CNC[C@H]1CCC(=O)N1 60052df83feb987abe65a8f3b9eae345 [0,2,0,0,0,0|1,0,1]=4 1346 B10R1.16 O=C1C=C(CC1)OCCS f163a17e6f28896ca0ffc84b99a3f64e [0,2,0,0,0,0|1,0,1]=4 1347 B10R1.16 O=C1C=CC(O1)COCF ae14c880c222293ca41439b8237ca664 [0,2,0,0,0,0|0,0,2]=4 1348 B10R1.16 O=C1C=CC(O1)OCCF a438e5c78a3bac86eb4ea80921b3df26 [0,2,0,0,0,0|0,0,2]=4 1349 B10R1.16 O=C1C=CC(O1)OCCS 66b2fa8ac301f6eec22fadf905903ae5 [0,2,0,0,0,0|0,0,2]=4 1350 B10R1.16 O=C1C=C[C@H](O1)COCF 272a0ff2c0404aaed7f07cbab8919967 [0,2,0,0,0,0|0,0,2]=4 1351 B10R1.16 O=C1CC(CN1)CNCF d49b038362a1ea46ba3a06e6e676f634 [0,2,0,0,0,0|2,0,0]=4 1352 B10R1.16 O=C1CC(CN1)CNCO 2bae667e3e4fb102ebfdfdc35076a8a5 [0,2,0,0,0,0|2,0,0]=4 1353 B10R1.16 O=C1CC(CN1)COCF ef880412fda0d3523cd074274ed947db [0,2,0,0,0,0|2,0,0]=4 1354 B10R1.16 O=C1CC(CN1)NCCF 7ec616c78eae2ed6dac9381cfd6c5653 [0,2,0,0,0,0|2,0,0]=4 1355 B10R1.16 O=C1CC(CN1)NCCO 65e35c7cc804b22eaa735384c126a11a [0,2,0,0,0,0|2,0,0]=4 1356 B10R1.16 O=C1CC(CN1)NCCS 8409a5b0d18a7161ce7cc596fa9744f5 [0,2,0,0,0,0|2,0,0]=4 1357 B10R1.16 O=C1CC(CN1)OCCF 378a4e554a5563e90e4399a9066c66f8 [0,2,0,0,0,0|2,0,0]=4 1358 B10R1.16 O=C1CC(CN1)OCCS 0b4d915b1ba93cab06cd7f214f336a08 [0,2,0,0,0,0|2,0,0]=4 1359 B10R1.16 O=C1CC(CO1)COCF 347a087277640edc84402f53ed01e708 [0,2,0,0,0,0|2,0,0]=4 1360 B10R1.16 O=C1CC(CO1)OCCF d1fd02a2dcab850e33d5a08b1446f703 [0,2,0,0,0,0|2,0,0]=4 1361 B10R1.16 O=C1CC(CO1)OCCS 64e0fd4762fa5047a0b41ceb741ea274 [0,2,0,0,0,0|2,0,0]=4 1362 B10R1.16 O=C1CCC(C1)COCF a3dd5848b7cd8d2e813c35574505a53a [0,2,0,0,0,0|1,0,0]=3 1363 B10R1.16 O=C1CCC(C1)OCCF e098d997eb3d51fa873532d5a2a734d6 [0,2,0,0,0,0|1,0,0]=3 1364 B10R1.16 O=C1CCC(C1)OCCS b56ae300686fa3e56f2ba4ba430ca7d0 [0,2,0,0,0,0|1,0,0]=3 1365 B10R1.16 O=C1CCC(N1)CNCF e60601c5e6ec7596e84a4441da6e09ea [0,2,0,0,0,0|1,0,0]=3 1366 B10R1.16 O=C1CCC(N1)CNCO faa9c744205a27a4c011051a4253940b [0,2,0,0,0,0|1,0,0]=3 1367 B10R1.16 O=C1CCC(N1)COCF 4ea4fbca5a03a5bb3ecd580fa707a8d0 [0,2,0,0,0,0|1,0,0]=3 1368 B10R1.16 O=C1CCC(O1)COCF 2ce7db809de6e3f2be92a0e8ec92a43d [0,2,0,0,0,0|0,0,0]=2 1369 B10R1.16 O=C1CC[C@@H](N1)CNCF b2f43891f00ade8c0b7c9a72903b5365 [0,2,0,0,0,0|1,0,0]=3 1370 B10R1.16 O=C1CC[C@@H](N1)CNCO 8f73d44f5c46f24c4baded87399cce0a [0,2,0,0,0,0|1,0,0]=3 1371 B10R1.16 O=C1CC[C@@H](N1)COCF c6324f99881b3a0cb2a429668edd4aee [0,2,0,0,0,0|1,0,0]=3 1372 B10R1.16 O=C1CC[C@@H](O1)COCF 0c61b9a9b2fe5d2d9f7492156617b941 [0,2,0,0,0,0|0,0,0]=2 1373 B10R1.16 O=C1CC[C@H](C1)COCF 0205222befcb6358d1d47dbbf040f905 [0,2,0,0,0,0|1,0,0]=3 1374 B10R1.16 O=C1CC[C@H](N1)CNCF 7d685b8f0afb5f48d49a76b0b312761c [0,2,0,0,0,0|1,0,0]=3 1375 B10R1.16 O=C1CC[C@H](N1)CNCO 35b329c0f2d6b9aaaa63084f592c856b [0,2,0,0,0,0|1,0,0]=3 1376 B10R1.16 O=C1CC[C@H](N1)COCF c4ab441f4787a728634e3ebdaeb313de [0,2,0,0,0,0|1,0,0]=3 1377 B10R1.16 O=C1CC[C@H](O1)COCF 4144576c77ad59c81af5e2139c27ef0f [0,2,0,0,0,0|0,0,0]=2 1378 B10R1.16 O=C1C[C@@H](CN1)CNCF 5fd800fd892a6fec4556ac69432dcfce [0,2,0,0,0,0|2,0,0]=4 1379 B10R1.16 O=C1C[C@@H](CN1)CNCO 6e2ab1e7ec49ba7155e980fc3cadc61f [0,2,0,0,0,0|2,0,0]=4 1380 B10R1.16 O=C1C[C@@H](CN1)COCF 626ded27b0c655e17dffdbc56a0939eb [0,2,0,0,0,0|2,0,0]=4 1381 B10R1.16 O=C1C[C@@H](CN1)NCCF fc36d3fd38017c6814d616a4f65c6790 [0,2,0,0,0,0|2,0,0]=4 1382 B10R1.16 O=C1C[C@@H](CN1)NCCO a31a7b5f2ec54f026a969d79aac3b1a3 [0,2,0,0,0,0|2,0,0]=4 1383 B10R1.16 O=C1C[C@@H](CN1)NCCS 5c6adaf42fa5538ff8ded1be4da16e45 [0,2,0,0,0,0|2,0,0]=4 1384 B10R1.16 O=C1C[C@@H](CN1)OCCF 98fb767307f9a6fa45a26b5e39b1d7d8 [0,2,0,0,0,0|2,0,0]=4 1385 B10R1.16 O=C1C[C@@H](CN1)OCCS 638b67e55827f8c3a1e31539902a05de [0,2,0,0,0,0|2,0,0]=4 1386 B10R1.16 O=C1C[C@@H](CO1)OCCF cc979c792ecac7c7b562ddaf7dbce52e [0,2,0,0,0,0|2,0,0]=4 1387 B10R1.16 O=C1C[C@@H](CO1)OCCS 84e880688037fc84829f746d6bdee19f [0,2,0,0,0,0|2,0,0]=4 1388 B10R1.16 O=C1C[C@H](CN1)COCF 0439c4d13c253f38f1f245a6742b4407 [0,2,0,0,0,0|2,0,0]=4 1389 B10R1.16 O=C1C[C@H](CN1)NCCF 98c329833ea2f894741fdfa501e87278 [0,2,0,0,0,0|2,0,0]=4 1390 B10R1.16 O=C1C[C@H](CN1)NCCO 73c48016ad1abf9dc8cc9a55eeb28b93 [0,2,0,0,0,0|2,0,0]=4 1391 B10R1.16 O=C1C[C@H](CN1)NCCS 865f18f58321de631ae30fee3348f8bd [0,2,0,0,0,0|2,0,0]=4 1392 B10R1.16 O=C1C[C@H](CN1)OCCF cb544c829ea4cd911d0ff214b6e86914 [0,2,0,0,0,0|2,0,0]=4 1393 B10R1.16 O=C1C[C@H](CN1)OCCS ee006f408691f1a079f0f442022e8888 [0,2,0,0,0,0|2,0,0]=4 1394 B10R1.16 O=C1C[C@H](CO1)OCCF 968c1abfc41636e0942d0793c3d958de [0,2,0,0,0,0|2,0,0]=4 1395 B10R1.16 O=C1C[C@H](CO1)OCCS 25cbaadad991c2e16075b3302be83759 [0,2,0,0,0,0|2,0,0]=4 1396 B10R1.16 O=C1NCC(N1)COCF 909d6e4013dba1d4c22273ac99a9a836 [0,2,0,0,0,0|2,0,0]=4 1397 B10R1.16 O=CCOC1CCC(=O)C1 22d4f4f9b90026441fb573a43f4467dc [0,2,0,0,0,0|1,0,1]=4 1398 B10R1.16 O=CNCC1CCC(=O)N1 9fc7737cedef602feb172ff2233a7254 [0,2,0,0,0,0|1,0,1]=4 1399 B10R1.16 O=CNC[C@@H]1CCC(=O)N1 a4d7e0d6fea85ac44564dea76293716e [0,2,0,0,0,0|1,0,1]=4 1400 B10R1.16 O=CNC[C@H]1CCC(=O)N1 18a7e73b081efd39a1d5df022774cccc [0,2,0,0,0,0|1,0,1]=4 1401 B10R1.54 CC(C)NC1CNC(=O)C1 2d041364ab04d89b43056cce01e8a48c [0,2,0,0,0,0|2,0,0]=4 1402 B10R1.54 CC(C)N[C@@H]1CNC(=O)C1 66f49786128f537989deb7257dfcf9f9 [0,2,0,0,0,0|2,0,0]=4 1403 B10R1.54 CC(C)N[C@H]1CNC(=O)C1 f84fb1224ee2ba3f072dded21a2ead0b [0,2,0,0,0,0|2,0,0]=4 1404 B10R1.54 CC(C)OC1C=CC(=O)O1 60b8396b8e43e194735c222c3f81f80f [0,2,0,0,0,0|0,0,2]=4 1405 B10R1.54 CC(C)OC1CCC(=O)C1 013dcfc334419b3e0a078d8a1b20d585 [0,2,0,0,0,0|1,0,0]=3 1406 B10R1.54 CC(C)OC1CNC(=O)C1 f751550777bed6584f8bf0b1ade26fa8 [0,2,0,0,0,0|2,0,0]=4 1407 B10R1.54 CC(C)OC1COC(=O)C1 26b55816235619ba2e84ce1010ddd0c1 [0,2,0,0,0,0|2,0,0]=4 1408 B10R1.54 CC(C)O[C@@H]1CNC(=O)C1 90f4a9e4b4c83bc5273128e600a1d38f [0,2,0,0,0,0|2,0,0]=4 1409 B10R1.54 CC(C)O[C@@H]1COC(=O)C1 c1645a608122a55733f71e93d5d6ac99 [0,2,0,0,0,0|2,0,0]=4 1410 B10R1.54 CC(C)O[C@H]1CNC(=O)C1 828d665c2703738ea8937db0d65e682e [0,2,0,0,0,0|2,0,0]=4 1411 B10R1.54 CC(C)O[C@H]1COC(=O)C1 5e5ef8e67d0fe613f66ffe8402835aad [0,2,0,0,0,0|2,0,0]=4 1412 B10R1.94 CCOC1CCC(=O)N1C e597dbf0ab8eda2787a931abbd2e4a90 [0,2,0,0,0,0|1,0,0]=3 1413 B10R1.94 CN1C(=O)CCC1OCF b9b5cd2e477e2b974a67f64a37066d37 [0,2,0,0,0,0|2,0,0]=4 1414 B10R1.95 CCNC1CCS(=O)(=O)C1 d9d60dad538d9256c04097db9ff02a20 [0,2,0,0,0,0|2,0,0]=4 1415 B10R1.96 CCC1CCN(C1)CC=O e0f4d32e9b7eab84e498178b13c94775 [0,2,0,0,0,0|2,0,0]=4 1416 B10R1.96 CCCC1CCN(C1)C=O 1ca2ffad4e158b463296876152d0a61e [0,2,0,0,0,0|2,0,0]=4 1417 B10R1.96 CCO[C@@H]1CCN(C1)C=O d6cd9bb8dd63a265edecb714702d92ad [0,2,0,0,0,0|2,0,0]=4 1418 B10R1.96 CCO[C@H]1CCN(C1)C=O 886748265175ab436036ed27206e8893 [0,2,0,0,0,0|2,0,0]=4 1419 B10R1.96 COCC1CCN(C1)C=O c8e5f339f66fe1f44ba9e304ef171ad9 [0,2,0,0,0,0|2,0,0]=4 1420 B10R1.96 COC[C@@H]1CCN(C1)C=O 3374d991d03e4971a18b7835cf62da10 [0,2,0,0,0,0|2,0,0]=4 1421 B10R1.96 COC[C@H]1CCN(C1)C=O 918b3b9eb07979e8a3139f789d1a84fc [0,2,0,0,0,0|2,0,0]=4 1422 B10R1.96 O=CN1CCC(C1)CCO 210e45c122f601e5105361eb59c95fa2 [0,2,0,0,0,0|2,0,0]=4 1423 B10R1.130 CC1CC(=O)OC1OCF ac6e85627809bc178a13143d54146eb8 [0,2,0,0,0,0|1,0,0]=3 1424 B10R1.130 CCOC1CC(=O)NC1C bf022fe918ca4bc92884991a9ddc28b0 [0,2,0,0,0,0|2,0,0]=4 1425 B10R1.130 CCOC1OC(=O)C=C1C ed97a7a6bc062f66811d1f68a1db67cb [0,2,0,0,0,0|0,0,2]=4 1426 B10R1.130 CCOC1OC(=O)C=C1Cl a9c107cff338f889d457832219b5c158 [0,2,0,0,0,0|0,0,2]=4 1427 B10R1.130 CCOC1OC(=O)CC1C 22b073b912a7a81eddef47f0e7d21a3e [0,2,0,0,0,0|0,0,0]=2 1428 B10R1.130 CCO[C@H]1CC(=O)N[C@H]1C 30ce4729af0f1c4b1d21e2ec1b5c2400 [0,2,0,0,0,0|2,0,0]=4 1429 B10R1.131 CCNC1CC(=O)N(C1)C 60dd24ea0083bc0643bbe16fc71ecd6f [0,2,0,0,0,0|2,0,0]=4 1430 B10R1.131 CCN[C@@H]1CC(=O)N(C1)C 5748414f47fa2c28b17314958036fc8c [0,2,0,0,0,0|2,0,0]=4 1431 B10R1.131 CCN[C@H]1CC(=O)N(C1)C 9821587e53cbf4fcfaa52427d4b0935f [0,2,0,0,0,0|2,0,0]=4 1432 B10R1.131 CCOC1C=C(C(=O)O1)C 157b7f1300a84e0a52b3dde36d7a439f [0,2,0,0,0,0|0,0,2]=4 1433 B10R1.131 CCOC1CC(=O)N(C1)C 41c53867ba5313e084a71ed560163b3b [0,2,0,0,0,0|2,0,0]=4 1434 B10R1.131 CCO[C@@H]1CC(=O)N(C1)C f534e9132c771d076c01f1aeaefb4a90 [0,2,0,0,0,0|2,0,0]=4 1435 B10R1.131 CCO[C@H]1CC(=O)N(C1)C 74bf6faebcfbfe1c51e96d8618ed5750 [0,2,0,0,0,0|2,0,0]=4 1436 B10R1.31 CCC1CCN(C1)C(=O)C e5cc8531ed45be6563a1f79e866d207d [0,2,0,0,0,0|2,0,0]=4 1437 B10R1.521 CCC1(CCN(C1)C=O)C 412eb05ec0c0823f77393beabba2cfcc [0,2,0,0,0,0|2,0,0]=4 1438 B10R1.521 CCC1(CCN(C1)C=O)F 480ffff5c43a769f45722d54ca9db400 [0,2,0,0,0,0|2,0,0]=4 1439 B10R1.259 CCN1CCC(=O)C1(C)C a17e3f4c9f250dcd1321ea334856c1a7 [0,2,0,0,0,0|2,0,0]=4 1440 B8R1.20 CC(=O)NC1CC1C 1768a28e3842ccc949f84e026e8d58f3 [0,0,1,1,0,0|1,0,0]=3 1441 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F bc7a6eb1a99ce556c18fcaf7f0c75c37 [0,0,1,1,0,0|2,0,0]=4 1442 B8R1.20 CC(=O)N[C@H]1C[C@@H]1F 576115c90eccc628d4e941f7a7852f6c [0,0,1,1,0,0|2,0,0]=4 1443 B8R1.20 CC(=O)N[C@H]1C[C@H]1F 8cb83b6d110bbd78098fefdd41f3f45a [0,0,1,1,0,0|2,0,0]=4 1444 B8R1.34 CC(=O)NC1CCC1 46894fd3aa8761205eba8795d61a04cf [0,0,1,1,0,0|1,0,0]=3 1445 B8R1.34 CC(=O)NC1COC1 434b9f924b049f8d9fb83819938927c2 [0,0,1,1,0,0|2,0,0]=4 1446 B8R1.34 CC(C)OC1CCC1 48443e3318a1759f4b9f0cc03f7ce9f5 [0,0,1,1,0,0|1,0,1]=4 1447 B8R1.40 CCC(C)OC1CC1 68ed2fdfe0b177445d70e3d5225b65a4 [0,0,1,1,0,0|1,0,1]=4 1448 B8R1.40 CC[C@@H](C)OC1CC1 c589c35c96af6e1ebe99b6ae61ff931b [0,0,1,1,0,0|1,0,1]=4 1449 B8R1.40 CC[C@H](C)OC1CC1 382e57974f1b3878c3e0abed45ea3f80 [0,0,1,1,0,0|1,0,1]=4 1450 B8R1.9 CC1CC1NCC=O 892d613b2191180ffc95c583aabe7b25 [0,0,1,1,0,0|2,0,0]=4 1451 B8R1.10 CCCOC1CCC1 56704029ca064ce456cbec81788df6b2 [0,0,1,1,0,0|1,0,1]=4 1452 B8R1.10 O=CCCN1CCC1 8fc22dace4a53f5fd2e5bf24e18f5eea [0,0,1,1,0,0|2,0,0]=4 1453 B8R1.10 O=CCNC1CCC1 633de7cc74462f33663be96f40e3e787 [0,0,1,1,0,0|2,0,0]=4 1454 B8R1.10 O=CCOC1CCC1 85f0182d9d378ce0abecab1fd07075c2 [0,0,1,1,0,0|2,0,0]=4 1455 B8R1.10 O=CNCC1CCC1 8913f5bd1f8df32bedea9e3deac9ac7d [0,0,1,1,0,0|2,0,0]=4 1456 B8R1.10 O=CNCC1CCO1 1b9d337743db60b895698b8aaa786ab4 [0,0,1,1,0,0|1,0,0]=3 1457 B8R1.10 O=CNC[C@@H]1CCO1 fadf694024bd0fc6277f2beb85e4b394 [0,0,1,1,0,0|1,0,0]=3 1458 B8R1.10 O=CNC[C@H]1CCO1 26d38116a4b219b0d68fd14a2b690dd1 [0,0,1,1,0,0|1,0,0]=3 1459 B8R1.38 CCC(=O)N1CCC1 d52503cf4cfc194127f664b5bcf57565 [0,0,1,1,0,0|1,0,0]=3 1460 B8R1.38 O=C(CF)N1CCC1 e1631cac567168a725b0163e106fbfc3 [0,0,1,1,0,0|2,0,0]=4 1461 B8R1.38 O=C(CO)N1CCC1 14506b695520a8256189bb97564c8706 [0,0,1,1,0,0|2,0,0]=4 1462 B8R1.38 O=C(CS)N1CCC1 483ef26b984ed24bd38f07147cc524a3 [0,0,1,1,0,0|2,0,0]=4 1463 B8R1.41 CC1(CC1)NCC=O 789ed2365d3b2b60268410f6763ad79b [0,0,1,1,0,0|2,0,0]=4 1464 B8R1.41 O=CNCC1(CC1)F 871b8e362c3da0fdce3d8e0abaca9a31 [0,0,1,1,0,0|2,0,0]=4 1465 B8R1.41 O=CNCC1(CC1)O 026bf04773c1cd53998b7f56de6bf467 [0,0,1,1,0,0|1,0,0]=3 1466 B8R1.35 CC(=O)CNC1CC1 bc0778517edf8997c2cb438d2c68c0b3 [0,0,1,1,0,0|2,0,0]=4 1467 B8R1.35 CC(=O)COC1CC1 609f3b6a39f515f0075f8f8591a3a733 [0,0,1,1,0,0|2,0,0]=4 1468 B8R1.35 CC(=O)NCC1CC1 a9186e5a31a6f613e1b56d3a88df1d54 [0,0,1,1,0,0|2,0,0]=4 1469 B8R1.35 NC(=O)CNC1CC1 a00288a750d00bc42baa6fd0a0cd1bb6 [0,0,1,1,0,0|2,0,0]=4 1470 B8R1.35 NC(=O)COC1CC1 d832967b8065c8155f8f7bfb171fc20f [0,0,1,1,0,0|2,0,0]=4 1471 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,0,1,1,0,0|1,0,0]=3 1472 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,0,1,1,0,0|1,0,0]=3 1473 B8R1.35 O=S(O)COC1CC1 85bbc60ec3a8ee46735b8745b51b860d [0,0,1,1,0,0|2,0,0]=4 1474 B8R1.82 O=CNC1(CC1)CO 37e75ded51c8f87738268b18fa9e914d [0,0,1,1,0,0|2,0,0]=4 1475 B10R2.93 O=CN1CC2CCC2C1 7b0c64dcb7089babd3da929e11b61c77 [0,1,0,1,0,0|2,0,0]=4 1476 B10R2.403 O=CN1CCC2(C1)CC2 9e5ac4c5fba967bc0bd73a56cf966402 [0,1,0,1,0,0|2,0,0]=4 1477 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,0,1,0,1,0|1,0,0]=3 1478 B6R1.6 CCN1CCC1 23b7abd822d5f351048cbd744915c161 [1,0,0,0,1,0|1,0,1]=4 1479 B10R1.197 CCN1CCCC(=O)CC1 43ab575eb7387d1676c90286c1ea0c74 [0,0,0,0,0,2|2,0,0]=4 1480 B10R1.197 CCN1CCNC(=O)CC1 c00fc63757fc4a565477a63f60a2605b [0,0,0,0,0,2|2,0,0]=4 1481 B10R1.162 CCN1CCCNC(=O)C1 7f847c2e24a9fed6454900cb01e9e0cc [0,0,0,0,0,2|2,0,0]=4