0 B13R1.713 C#CC(OC(C)C)c1ccccc1 65b6523fa03011b37932b4d97b01b814 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.713 C#C[C@@H](OC(C)C)c1ccccc1 65a79cec3b3d9cd654c66d27198ab0ac [0,0,0,0,0,0|2,0,2]=4 2 B13R1.713 C#C[C@H](OC(C)C)c1ccccc1 68ef7b637ee397331239e908c82abbac [0,0,0,0,0,0|2,0,2]=4 3 B13R1.713 C=CC(NC(C)C)c1ccccc1 4cc23dc2e7da913484f162e19ae48649 [0,0,0,0,0,0|2,0,1]=3 4 B13R1.713 C=CC(OC(C)C)c1ccccc1 4857960945659ab57a7f2afd00cc12a0 [0,0,0,0,0,0|2,0,1]=3 5 B13R1.713 C=C[C@@H](NC(C)C)c1ccccc1 5efc10170915f5cc9b25a85efb11b26e [0,0,0,0,0,0|2,0,1]=3 6 B13R1.713 C=C[C@H](NC(C)C)c1ccccc1 9c66b0bbcae37f3953fc1ce6f11c1566 [0,0,0,0,0,0|2,0,1]=3 7 B13R1.713 CC(C)CN(C#N)c1ccccc1 21cc81bc416b8d280f2df86ec5d99dcd [0,0,0,0,0,0|2,0,2]=4 8 B13R1.713 CC(C)NC(C#N)c1ccccc1 5c3187272992e3741ac64180825cb3d3 [0,0,0,0,0,0|2,0,2]=4 9 B13R1.713 CC(C)NC(CO)c1ccccc1 f7f0b2064527a352b88d8a117cb50314 [0,0,0,0,0,0|1,0,3]=4 10 B13R1.713 CC(C)N[C@@H](CF)c1ccccc1 21e9a6d22217bdae497e12feb931a1f0 [0,0,0,0,0,0|2,0,2]=4 11 B13R1.713 CC(C)N[C@@H](CO)c1ccccc1 6306fa7625bf427066d2cd4dc06e1279 [0,0,0,0,0,0|1,0,3]=4 12 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 edd9491e52236d9e8897c3cf81ff54e9 [0,0,0,0,0,0|1,0,3]=4 13 B13R1.713 CC(C)OC(C=O)c1ccccc1 355a7c4982edcf5a0ba8a1ae1b147522 [0,0,0,0,0,0|1,0,1]=2 14 B13R1.713 CC(C)OC(CF)c1ccccc1 03ea8247c3bef549e5323aad73c0e9e2 [0,0,0,0,0,0|2,0,2]=4 15 B13R1.713 CC(C)O[C@H](CF)c1ccccc1 43ec51a283e680ab66757e5360eee212 [0,0,0,0,0,0|2,0,2]=4 16 B13R1.713 CCC(NC(C)C)c1ccccc1 678ffab07e2c862b09480e42d5c62f0b [0,0,0,0,0,0|2,0,2]=4 17 B13R1.713 CCC(OC(C)C)c1ccccc1 24bcd37e5706ce8532e06856db5b06fd [0,0,0,0,0,0|2,0,2]=4 18 B13R1.713 CCN(CC(C)C)c1ccccc1 c56ade63abb7331b2d896446534fb57e [0,0,0,0,0,0|2,0,2]=4 19 B13R1.713 CC[C@@H](NC(C)C)c1ccccc1 9588b9e4a1b27c4e5eca895799854d2b [0,0,0,0,0,0|2,0,2]=4 20 B13R1.713 CC[C@@H](OC(C)C)c1ccccc1 9f269c7a31a314929ac7b227fcb61d60 [0,0,0,0,0,0|2,0,2]=4 21 B13R1.713 CC[C@H](NC(C)C)c1ccccc1 99c4bf6e064840cc67e52a3c4d7765f0 [0,0,0,0,0,0|2,0,2]=4 22 B13R1.713 CC[C@H](OC(C)C)c1ccccc1 aec7232310e4a007d528dd1069053632 [0,0,0,0,0,0|2,0,2]=4 23 B13R1.713 C[C@@H](O)CN(C=O)c1ccccc1 94b821f978f07f83231d214ed7a9ca05 [0,0,0,0,0,0|2,0,1]=3 24 B12R1.3 C=CC(NCC)c1ccccc1 7683e9d7b82c3281238f04ed1a75e97e [1,0,0,0,0,0|2,0,1]=4 25 B12R1.3 C=CC(OCC)c1ccccc1 6bde42162b5d4c427a68bf4a10c8d095 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.3 C=C[C@@H](NCC)c1ccccc1 ce0bccab84f78d550cd5d29e0af99881 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.3 C=C[C@H](NCC)c1ccccc1 378688aa1f70c0c46a994c0dd710e214 [1,0,0,0,0,0|2,0,1]=4 28 B12R1.3 CCCN(C=O)c1ccccc1 dd84a45c645f807d0c332ade8b13b5fc [1,0,0,0,0,0|1,0,1]=3 29 B12R1.3 O=CN(CCF)c1ccccc1 cecc898c90ae32628e1e22021418ffd8 [1,0,0,0,0,0|2,0,1]=4 30 B12R1.3 O=CN(CCO)c1ccccc1 2cfbca70005c73b7e0b1c55ae8b1e4cf [1,0,0,0,0,0|2,0,1]=4 31 B12R1.107 CC(C)CN(C)c1ccccc1 95fef0ba310b862ee7742e989aa00371 [1,0,0,0,0,0|1,0,2]=4 32 B12R1.107 CC(C)OC(C)c1ccccc1 c88937e1bba3e11ca71331a692d3263d [1,0,0,0,0,0|1,0,2]=4 33 B12R1.107 CC(C)O[C@@H](C)c1ccccc1 cd312c9ad337f3d7e7cf959a697dd297 [1,0,0,0,0,0|1,0,2]=4 34 B12R1.107 CC(C)O[C@H](C)c1ccccc1 b2ce62b73f9b987a3fea9afe8162e394 [1,0,0,0,0,0|1,0,2]=4 35 B14R1.515 C=CCC(OC(C)C)c1ccccc1 d4bd8653c6e42a460c597837d719db96 [0,1,0,0,0,0|2,0,1]=4 36 B14R1.515 C=CCN(CC(C)C)c1ccccc1 c5d57c601b18b40f5e3e40a49db600c7 [0,1,0,0,0,0|2,0,1]=4 37 B14R1.515 C=CC[C@@H](NC(C)C)c1ccccc1 dd6667112be27f1ceceba32d4e5a801a [0,1,0,0,0,0|2,0,1]=4 38 B14R1.515 CC(C)CC(NC=O)c1ccccc1 79b838588471675b60df3b2422915546 [0,1,0,0,0,0|0,0,2]=3 39 B14R1.515 CC(C)CC(NC=O)c1ccccn1 6bd7826e6cfb3ec640ceeb8a0b282c50 [0,1,0,0,0,0|1,0,2]=4 40 B14R1.515 CC(C)CC(NC=O)c1cccnc1 7ec106177091e113b4e1c191199ce1fe [0,1,0,0,0,0|1,0,2]=4 41 B14R1.515 CC(C)C[C@@H](NC=O)c1ccccc1 9d31085b797e3d8d4c29464b5adf5a3d [0,1,0,0,0,0|0,0,2]=3 42 B14R1.515 CC(C)C[C@H](NC=O)c1ccccc1 37c0f57df7d60cfe036dd58b34444ef2 [0,1,0,0,0,0|0,0,2]=3 43 B14R1.515 CN(C)CC(NC=O)c1ccccc1 2e1529404f070613431f3665ca5a6b9f [0,1,0,0,0,0|1,0,2]=4 44 B14R1.515 CN(C)C[C@@H](NC=O)c1ccccc1 7482a5aa3405002ed258fd56ca8a7be9 [0,1,0,0,0,0|1,0,2]=4 45 B14R1.515 C[C@@H](O)CN(CC=O)c1ccccc1 caebf3d927d6954450a1eaacd63b0391 [0,1,0,0,0,0|2,0,1]=4 46 B14R1.544 C=CC(NC(C)(C)C)c1ccccc1 6ebccdabe5280d0a2d86c7c1d2ba0c44 [0,1,0,0,0,0|2,0,1]=4 47 B14R1.544 CC(C)(C)NC(C=O)c1ccccc1 ab79b5e2e020edb42f1317dbb3a89025 [0,1,0,0,0,0|1,0,1]=3 48 B14R1.544 CC(C)(O)CN(C=O)c1ccccc1 6885179826e2349896f5d5d136d2b0e2 [0,1,0,0,0,0|1,0,1]=3 49 B14R1.1019 C=CC(NC(C)C)c1ccc(cc1)Br 6168c98691aeb25ee32b911ea31c2af0 [0,1,0,0,0,0|2,0,1]=4 50 B14R1.1019 C=CC(NC(C)C)c1ccc(cc1)F 1e2868f79481e33760074359b5aeebcd [0,1,0,0,0,0|2,0,1]=4 51 B14R1.1019 C=CC(NC(C)C)c1ccc(cc1)I 548d134cef5aadbebfbfb18e9ddfa957 [0,1,0,0,0,0|2,0,1]=4 52 B14R1.1019 C=CC(OC(C)C)c1ccc(cc1)Br 4da150b3c158082485fcc280cb11792a [0,1,0,0,0,0|2,0,1]=4 53 B14R1.1019 C=CC(OC(C)C)c1ccc(cc1)C 8f76f175de87abc835c68c8cd4df33ec [0,1,0,0,0,0|2,0,1]=4 54 B14R1.1019 C=CC(OC(C)C)c1ccc(cc1)Cl b741b540cc3346bdbb0b38c3ff1a131a [0,1,0,0,0,0|2,0,1]=4 55 B14R1.1019 C=CC(OC(C)C)c1ccc(cc1)F 1e4e8dcce5b857f3901a5508af003573 [0,1,0,0,0,0|2,0,1]=4 56 B14R1.1019 CC(C)CN(C=O)c1ccc(cc1)Br 265ed7d6968e5c516c9ac215fb850ea1 [0,1,0,0,0,0|1,0,1]=3 57 B14R1.1019 Cc1ccc(cc1)N(C=O)CC(C)C 28d7cc4b3970abb6d11ff7776c55f770 [0,1,0,0,0,0|1,0,1]=3 58 B14R1.1020 C=CC(OC(C)C)c1cccc(c1)Cl 686dfc5e2fffcd2073758cb1b5d74fef [0,1,0,0,0,0|2,0,1]=4 59 B14R1.1020 C=CC(OC(C)C)c1cccc(c1)F b9ca451ec85d694c61b1cc62727f1477 [0,1,0,0,0,0|2,0,1]=4 60 B14R1.1027 C=CC(c1ccccc1)N(C)C(C)C 5cd6f8af9a342a17001ee7b0f8286a01 [0,1,0,0,0,0|2,0,1]=4 61 B14R1.1027 CC(C)N(C)C(C=O)c1ccccc1 f3ba5a1b229480df3b2f669de5066365 [0,1,0,0,0,0|1,0,1]=3 62 B14R1.3297 C#CC(C)NC(C=O)c1ccccc1 77d7e012532f817472b7f2348d14bb58 [0,1,0,0,0,0|1,0,2]=4 63 B14R1.3297 C#CC(C)OC(C=O)c1ccccc1 2b16ced9f981fb3f794a3c5161035034 [0,1,0,0,0,0|1,0,2]=4 64 B14R1.3297 C#C[C@@H](C)NC(C=O)c1ccccc1 6144711dc9ce266b8761e110131a7a68 [0,1,0,0,0,0|1,0,2]=4 65 B14R1.3297 C#C[C@@H](C)OC(C=O)c1ccccc1 87c63a8c9c60be4a5da1f883473ea354 [0,1,0,0,0,0|1,0,2]=4 66 B14R1.3297 C#C[C@H](C)NC(C=O)c1ccccc1 c94ac4b885753215d64be4c816669a05 [0,1,0,0,0,0|1,0,2]=4 67 B14R1.3297 C#C[C@H](C)OC(C=O)c1ccccc1 b45e96dd3846cf02eb9ec5ccc6770e98 [0,1,0,0,0,0|1,0,2]=4 68 B14R1.3297 C=CC(C)OC(C=O)c1ccccc1 41aa326e0bd08b8408ec0b05843a91dd [0,1,0,0,0,0|1,0,2]=4 69 B14R1.3297 C=CC(NC(C)CC)c1ccccc1 c7876fb56a81619e5e8030548dee5423 [0,1,0,0,0,0|2,0,1]=4 70 B14R1.3297 C=CC(NC(C)CO)c1ccccc1 96597bf46ad91dc6c35ac8df6dc65ff4 [0,1,0,0,0,0|2,0,1]=4 71 B14R1.3297 C=CC(N[C@@H](C)CC)c1ccccc1 58ebc5772ef8b66326daa200efe70aaa [0,1,0,0,0,0|2,0,1]=4 72 B14R1.3297 C=CC(N[C@@H](C)CO)c1ccccc1 3303a9d4fad8c3b392d7265a65e1f03e [0,1,0,0,0,0|2,0,1]=4 73 B14R1.3297 C=CC(N[C@H](C)CC)c1ccccc1 5aee508d0d9c13c429e70906f4eb9f5a [0,1,0,0,0,0|2,0,1]=4 74 B14R1.3297 C=CC(N[C@H](C)CO)c1ccccc1 d20766e5545cd43236742f69c11e20a7 [0,1,0,0,0,0|2,0,1]=4 75 B14R1.3297 C=CC(OC(C)CC)c1ccccc1 a3cddb626c91dc73fa2383fc4ee7e0ce [0,1,0,0,0,0|2,0,1]=4 76 B14R1.3297 C=CC(OC(C)CF)c1ccccc1 d6e0dc117a8655c84a71b8705477ade3 [0,1,0,0,0,0|2,0,1]=4 77 B14R1.3297 C=CC(OC(C)CS)c1ccccc1 3f5a5c2769457ee309cd7d64cbe9dcd9 [0,1,0,0,0,0|2,0,1]=4 78 B14R1.3297 C=CC(O[C@@H](C)CC)c1ccccc1 db4ad1db847246830a689857efde2e24 [0,1,0,0,0,0|2,0,1]=4 79 B14R1.3297 C=CC(O[C@H](C)CC)c1ccccc1 8d454071b0472f3cc54feb7cc490c9d1 [0,1,0,0,0,0|2,0,1]=4 80 B14R1.3297 C=CC(O[C@H](C)CS)c1ccccc1 8291257fdde411ef24c6ecb29fde81fe [0,1,0,0,0,0|2,0,1]=4 81 B14R1.3297 C=C[C@@H](NC(C)CC)c1ccccc1 8487a12b8d74010aaf442386ed97bf61 [0,1,0,0,0,0|2,0,1]=4 82 B14R1.3297 C=C[C@@H](NC(C)CO)c1ccccc1 b84e040a1abb11dd2651e06719bc0aaa [0,1,0,0,0,0|2,0,1]=4 83 B14R1.3297 C=C[C@@H](N[C@@H](C)CO)c1ccccc1 5625659f35fafcb502b3d31ac0bc5825 [0,1,0,0,0,0|2,0,1]=4 84 B14R1.3297 C=C[C@@H](N[C@H](C)CO)c1ccccc1 2df6c6f01f5789debf2db4f9536c8f94 [0,1,0,0,0,0|2,0,1]=4 85 B14R1.3297 C=C[C@H](C)OC(C=O)c1ccccc1 d7a00501bbe0eb2973d38b93ea278001 [0,1,0,0,0,0|1,0,2]=4 86 B14R1.3297 C=C[C@H](NC(C)CC)c1ccccc1 42701e16f1aff02a368d302b8e37eeee [0,1,0,0,0,0|2,0,1]=4 87 B14R1.3297 C=C[C@H](NC(C)CO)c1ccccc1 5b2865833d156da69d5e6d5a5c751421 [0,1,0,0,0,0|2,0,1]=4 88 B14R1.3297 C=C[C@H](N[C@@H](C)CO)c1ccccc1 7764ebdfbad9826c681b27715bfd761d [0,1,0,0,0,0|2,0,1]=4 89 B14R1.3297 C=C[C@H](N[C@H](C)CO)c1ccccc1 e6f60b6ada393b7f1f81254dbe2879e2 [0,1,0,0,0,0|2,0,1]=4 90 B14R1.3297 CC(C#N)NC(C=O)c1ccccc1 18d02883d90002a0769edcbfcfda6d1a [0,1,0,0,0,0|1,0,2]=4 91 B14R1.3297 CC(C=O)OC(C=O)c1ccccc1 26ac06dd3634364c03b82aa5367c9bd6 [0,1,0,0,0,0|1,0,2]=4 92 B14R1.3297 CC(CF)OC(C=O)c1ccccc1 52364a6700e439b06b0fb1c9de3d427e [0,1,0,0,0,0|1,0,1]=3 93 B14R1.3297 CC(CO)NC(C=O)c1ccccc1 b1bff2f32a35cac769196b68246bc460 [0,1,0,0,0,0|1,0,1]=3 94 B14R1.3297 CCC(C)NC(C=O)c1ccccc1 99660b0977e6745d1a0894680ba799ec [0,1,0,0,0,0|1,0,1]=3 95 B14R1.3297 CCC(C)OC(C=O)c1ccccc1 bae862ae502a35078e206f063074729c [0,1,0,0,0,0|1,0,1]=3 96 B14R1.3297 CC[C@@H](C)NC(C=O)c1ccccc1 b06793a68f51c67c22349c8e92537df3 [0,1,0,0,0,0|1,0,1]=3 97 B14R1.3297 CC[C@@H](C)OC(C=O)c1ccccc1 dc46d7ddf963cbd62673d4e2cf4c0afa [0,1,0,0,0,0|1,0,1]=3 98 B14R1.3297 CC[C@H](C)NC(C=O)c1ccccc1 f82b5cfce35c12ac735b4e6b3fb51a49 [0,1,0,0,0,0|1,0,1]=3 99 B14R1.3297 CC[C@H](C)OC(C=O)c1ccccc1 241643d876ba3409a7469ef5f3bc7e7b [0,1,0,0,0,0|1,0,1]=3 100 B14R1.3297 C[C@@H](CO)NC(C=O)c1ccccc1 d5007021dfa75d334f9b1adcd86c8cb6 [0,1,0,0,0,0|1,0,1]=3 101 B14R1.3297 C[C@H](CO)NC(C=O)c1ccccc1 ab2dd3ab1cffa922556996b5b7100f13 [0,1,0,0,0,0|1,0,1]=3 102 B14R1.3642 CC(C)OC(C)(C=O)c1ccccc1 a94965370c42c40c6973ba8ddb3d77c6 [0,1,0,0,0,0|1,0,1]=3 103 B14R1.6455 CC(=O)C(OC(C)C)c1ccccc1 213889392ac43432ef3c7d49f1ae3157 [0,1,0,0,0,0|1,0,1]=3 104 B14R1.6455 CC(=O)N(C[C@@H](C)O)c1ccccc1 c53760cbac5c26e47399891b01183e8c [0,1,0,0,0,0|2,0,1]=4 105 B14R1.6455 CC(C)NC(C(=O)N)c1ccccc1 e53ee9872e6915265abcdc6352a3f790 [0,1,0,0,0,0|1,0,1]=3 106 B14R1.6455 CC(C)NC(C(=O)N)c1ccncc1 db2b7da108f8ad9af02d7850cd0929b2 [0,1,0,0,0,0|2,0,1]=4 107 B14R1.6455 CC(C)NC(C(=O)O)c1ccccc1 a7455118c78ddd49aaa62b61d30af412 [0,1,0,0,0,0|1,0,1]=3 108 B14R1.6455 CC(C)NC(C(=O)O)c1ccccn1 87b71f5c9ac6bb9660699ee0202b2298 [0,1,0,0,0,0|2,0,1]=4 109 B14R1.6455 CC(C)NC(C(=O)O)c1cccnc1 c0f58f1a48da36c51791544ae021b911 [0,1,0,0,0,0|2,0,1]=4 110 B14R1.6455 CC(C)N[C@@H](C(=O)N)c1ccccc1 b49b2874735b7751297784a9e42e8ad9 [0,1,0,0,0,0|1,0,1]=3 111 B14R1.6455 CC(C)N[C@@H](C(=O)O)c1ccccc1 dc286ef6a2e88ce2496f8de4e31b4caa [0,1,0,0,0,0|1,0,1]=3 112 B14R1.6455 CC(C)N[C@H](C(=O)N)c1ccccc1 dc526ed811eb55a0df3fc2be0fd2f397 [0,1,0,0,0,0|1,0,1]=3 113 B14R1.6455 CC(C)N[C@H](C(=O)O)c1ccccc1 4e003da8850e5f352a12442ada45681e [0,1,0,0,0,0|1,0,1]=3 114 B14R1.6455 CC(C)OC(C(=O)N)c1ccccc1 2a88a78e8aef49ce8201bb1f6f61fc7d [0,1,0,0,0,0|1,0,1]=3 115 B14R1.6455 CC(C)OC(C(=O)O)c1ccccc1 1cb5c5d489d77e7adc21cbc2f8fd4d4c [0,1,0,0,0,0|1,0,1]=3 116 B14R1.6455 CC(C)OC(C(=O)O)c1cccnc1 2cecc6c6e477f33606355ded4d2b8e9d [0,1,0,0,0,0|2,0,1]=4 117 B14R1.6455 CC(C)OC(C(=O)O)c1ccncc1 87d7780ce8c4176cf845293a5b66f8ed [0,1,0,0,0,0|2,0,1]=4 118 B14R1.6455 CC(C)O[C@@H](C(=O)N)c1ccccc1 8b37fb9ea9f269ca1b6fa18a895cf2c9 [0,1,0,0,0,0|1,0,1]=3 119 B14R1.6455 CC(C)O[C@@H](C(=O)O)c1ccccc1 2fd2ca2f47216a811c1f65b622a341a4 [0,1,0,0,0,0|1,0,1]=3 120 B14R1.6455 CC(C)O[C@H](C(=O)N)c1ccccc1 918d90a3b84d06800ba9994db706571a [0,1,0,0,0,0|1,0,1]=3 121 B14R1.6455 CC(C)O[C@H](C(=O)O)c1ccccc1 6b69fd3ce186706c14e24ab517a19dd2 [0,1,0,0,0,0|1,0,1]=3 122 B14R1.6474 C=CC(OC(C)C)c1ccccc1C eefbe43dfc1aab9095996a70a8cf56ef [0,1,0,0,0,0|2,0,1]=4 123 B14R1.6474 C=CC(OC(C)C)c1ccccc1Cl 6d6c3c78a83587e88cd4629115d91bb5 [0,1,0,0,0,0|2,0,1]=4 124 B14R1.6474 C=CC(OC(C)C)c1ccccc1F 77891aa4e3ee0ae368aef7ffb1b60bd7 [0,1,0,0,0,0|2,0,1]=4 125 B14R1.6474 CC(C)CN(C=O)c1ccccc1Cl 1967629c112c43097d321742504bd58b [0,1,0,0,0,0|1,0,1]=3 126 B14R2.2 CC(C)Nc1c[nH]c2c1cccc2 0d87fc84b8759a3e79d85a6fbaac29d8 [0,0,0,1,0,0|2,0,0]=3 127 B14R2.2 CC(C)Nc1c[nH]c2c1cccn2 645e3f165a639cf629c47ba3f4ea0f46 [0,0,0,1,0,0|3,0,0]=4 128 B14R2.2 CC(C)Nc1c[nH]c2c1nccc2 d92bf0995ad1dd5c330046f0745f991a [0,0,0,1,0,0|3,0,0]=4 129 B14R2.2 CC(C)Nc1cnc2n1cccc2 02b5d40eff0490577614d5c2e8b2aa40 [0,0,0,1,0,0|3,0,0]=4 130 B14R2.2 CC(C)Nc1cnn2c1cccc2 748b2c66fb65ff55e57ce2b9151f5f28 [0,0,0,1,0,0|3,0,0]=4 131 B14R2.2 CC(C)Nc1csc2c1cccc2 eff0f80fc85455103ff7a38b2fff6fa8 [0,0,0,1,0,0|1,1,0]=3 132 B14R2.2 CC(C)Nc1csc2c1cccn2 72c2097a0e8a99159936572a31f90dd4 [0,0,0,1,0,0|2,1,0]=4 133 B14R2.2 CC(C)Nc1csc2c1ccnc2 cd90b44104ea99ac1264223a6386e769 [0,0,0,1,0,0|2,1,0]=4 134 B14R2.2 CC(C)Nc1csc2c1cncc2 18da83d44296ff955219ce13f330e8b2 [0,0,0,1,0,0|2,1,0]=4 135 B14R2.2 CC(C)Nc1csc2c1nccc2 55ed1933da40e892ea59582f4d398eea [0,0,0,1,0,0|2,1,0]=4 136 B14R2.2 CC(C)Nc1n[nH]c2c1cccc2 d0e4855cced82882d897b9cf8f579667 [0,0,0,1,0,0|3,0,0]=4 137 B14R2.2 CC(C)Nc1noc2c1cccc2 10a242fba2175da152857480f7182e6b [0,0,0,1,0,0|2,0,1]=4 138 B14R2.2 CC(C)Nc1nsc2c1cccc2 f443c1f2908d49de46da0b7b142ef82d [0,0,0,1,0,0|2,1,0]=4 139 B14R2.2 CC(C)Nc1snc2c1cccc2 1e87fd47951ef0f19ab92a185664807d [0,0,0,1,0,0|3,0,0]=4 140 B14R2.2 CC(C)Oc1c[nH]c2c1cccc2 087c750dc4677a0808763e2481fd5552 [0,0,0,1,0,0|2,0,0]=3 141 B14R2.2 CC(C)Oc1coc2c1cccc2 4143ed550a23ae7ada1e05a6c2788e0d [0,0,0,1,0,0|1,0,1]=3 142 B14R2.2 CC(C)Oc1csc2c1cccc2 534c2c622fc0eb8932f7df7e12da4f9d [0,0,0,1,0,0|1,1,0]=3 143 B14R2.2 CC(C)Oc1noc2c1cccc2 6fa5ba5ca33aec4b2009f4183245673b [0,0,0,1,0,0|2,0,1]=4 144 B14R2.21 Cc1cc(ccn1)c2ccccc2 1899e1c05e5dd90d59f849c8fcd9b9cd [0,0,0,1,0,0|2,0,1]=4 145 B14R2.21 Cc1cc(cnn1)c2ccccc2 2f3d6ba4d6d86588799e381beda8b8d6 [0,0,0,1,0,0|2,0,1]=4 146 B14R2.21 Cc1cccc(c1)c2ccccc2 fe5cbd1d719ce33de4728477c0504d94 [0,0,0,1,0,0|1,0,2]=4 147 B14R2.21 Cc1cncc(c1)c2ccccc2 d23d8b6edad1cb802e83f11a508b0393 [0,0,0,1,0,0|1,0,2]=4 148 B14R2.598 Cc1cc(c(o1)C)c2ccccc2 bc8be6fac7f7defbb29d9fd706a41a49 [0,0,0,1,0,0|2,0,1]=4 149 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 c985cd129aa0f9e2033e9ae83a556b94 [0,0,0,1,0,0|2,0,1]=4 150 B14R2.598 Cc1nn(cc1c2ccccc2)C c2c6aa14ebc6829321cd4dab602f38e5 [0,0,0,1,0,0|3,0,0]=4 151 B14R2.598 Cn1cc(c(n1)F)c2ccccc2 7cefe87b658f713cdec67e4dbf68e4e5 [0,0,0,1,0,0|3,0,0]=4 152 B14R2.598 Cn1cc(c(n1)N)c2ccccc2 77262533173c122d807aeea2772ca6cf [0,0,0,1,0,0|3,0,0]=4 153 B14R2.598 Cn1cc(c(n1)O)c2ccccc2 3033d166289e220b1d806af9f4a7957a [0,0,0,1,0,0|2,0,1]=4 154 B14R2.1146 CC1CN(c2ccccc2O1)C=O f6b0975341c628ceb843ab0e57e75dc3 [0,0,0,1,0,0|2,0,1]=4 155 B14R2.1146 CC1CN(c2ccccc2S1)C=O 58a805efe0222cfdaa10af1a8c483950 [0,0,0,1,0,0|2,0,1]=4 156 B14R2.1146 CC1Cc2ccccc2N(C1)C=O f749e7129bd631f1ca348849a567e89c [0,0,0,1,0,0|1,0,1]=3 157 B14R2.1146 O=CN1CC(Cc2c1cccc2)O 3d292930f9b9d5d622a3bb276cbb9e38 [0,0,0,1,0,0|2,0,1]=4 158 B14R2.1146 O=CN1C[C@@H](Cc2c1cccc2)O 99435a0b5cc645573a7fef6a6e6c0439 [0,0,0,1,0,0|2,0,1]=4 159 B14R2.1146 O=CN1C[C@H](Cc2c1cccc2)O 974d7c767c804272631d4f7cb196988b [0,0,0,1,0,0|2,0,1]=4 160 B14R2.1256 C=CC(NC1CC1)c2ccccc2 918971a093527431a54d95e0da136b5a [0,0,0,1,0,0|2,0,1]=4 161 B14R2.1256 C=CC(OC1CC1)c2ccccc2 4a0aa3129a0d98e131dd50b8c7e21324 [0,0,0,1,0,0|2,0,1]=4 162 B14R2.1256 C=C[C@@H](NC1CC1)c2ccccc2 80603e9ec04fe530708bf78406a33824 [0,0,0,1,0,0|2,0,1]=4 163 B14R2.1256 C=C[C@H](NC1CC1)c2ccccc2 6d40dbe28c2911b01f8a011482c75fe8 [0,0,0,1,0,0|2,0,1]=4 164 B14R2.1256 O=CC(NC1CC1)c2ccccc2 245c72ca0dd79b86d3467c5f180711ac [0,0,0,1,0,0|1,0,1]=3 165 B14R2.1256 O=CC(OC1CC1)c2ccccc2 c05a58dd7b3d1f47ba4b7be19777369a [0,0,0,1,0,0|1,0,1]=3 166 B14R2.1256 O=CN(CC1CC1)c2cccnc2 96abb120c97cbd62f0b00cd68d53b7b9 [0,0,0,1,0,0|2,0,1]=4 167 B14R2.45179 CC1(CN(c2c1cccc2)C=O)C 7bacc419553ef7d112ecce22030532a2 [0,0,0,1,0,0|1,0,1]=3 168 B14R2.45179 CC1(CN(c2c1cccn2)C=O)C 4f71e6b95b6d2499ebc670c2bb512a73 [0,0,0,1,0,0|2,0,1]=4 169 B14R2.45179 CC1(CN(c2c1cncc2)C=O)C 6446e5cd91ca4cfc4f1cda1418207f8b [0,0,0,1,0,0|2,0,1]=4 170 B12R1.478 CC(C)N(C#N)c1ccccc1 791504caa838a69af0259636516d458c [0,0,0,0,1,0|2,0,1]=4 171 B12R1.478 CC(C)N(C=O)c1ccccn1 bf9e5e4b2ec097904780d85032eb08ab [0,0,0,0,1,0|2,0,0]=3 172 B12R1.478 CC(C)N(C=O)c1cccnn1 d52a5cfcc9e384168fc8e6a2e7894347 [0,0,0,0,1,0|3,0,0]=4 173 B14R1.540 C=CC(NCC(C)C)c1ccccc1 ab2438239b6a8690645df37d8ee46604 [0,0,0,0,0,1|1,0,2]=4 174 B14R1.540 C=CC(OCC(C)C)c1ccccc1 4ccfe5b259bcff5f814e6a596d3a22d1 [0,0,0,0,0,1|1,0,2]=4 175 B14R1.540 C=C[C@@H](NCC(C)C)c1ccccc1 4144eafd7ca60ba16decaeeecd1d6e99 [0,0,0,0,0,1|1,0,2]=4 176 B14R1.540 C=C[C@H](NCC(C)C)c1ccccc1 6b403fe5765e20a3e7b53bc96a15f4b0 [0,0,0,0,0,1|1,0,2]=4 177 B14R1.540 CC(C)CNC(C=O)c1ccccc1 946d09a5f224ce05badf74c43992ec3c [0,0,0,0,0,1|0,0,2]=3 178 B14R1.540 CC(C)O/C=C(\C=O)/c1ccccc1 75d8318ec6940d98e5c59fd1abb23844 [0,0,0,0,0,1|0,0,0]=1 179 B14R1.540 CC(C)O/C=C(\C=O)/c1ccccn1 36736c07b615f51f1d6d890df4bbb8ca [0,0,0,0,0,1|1,0,0]=2 180 B14R1.540 CC(C)O/C=C(\C=O)/c1ccncc1 5b0fde98e05c649131eee8186483652c [0,0,0,0,0,1|1,0,0]=2 181 B14R1.540 CC(C)O/C=C(\C=O)/c1ccncn1 5c0c5777d4f5684d33e742c95c8a4010 [0,0,0,0,0,1|2,0,0]=3 182 B14R1.540 CC(C)O/C=C(\C=O)/c1cnccn1 816e951c1b1224e48dd1a7926b8a391f [0,0,0,0,0,1|2,0,0]=3 183 B14R1.540 CC(C)OC=C(C#N)c1ccccc1 4d8ade76702eb6edab07eaed329c0c37 [0,0,0,0,0,1|1,0,1]=3 184 B14R1.540 CC(O)CNC(C=O)c1ccccc1 1d8b1a2488fc9d54c23af8f235ca026a [0,0,0,0,0,1|1,0,2]=4 185 B14R1.540 CN(C)CCN(C=O)c1ccccc1 735c65cdbcec5471fbbb1eee0e54f343 [0,0,0,0,0,1|2,0,1]=4 186 B14R1.540 C[C@@H](O)CNC(C=O)c1ccccc1 7dbe417131c6cb4dd467d4b958ecec9a [0,0,0,0,0,1|1,0,2]=4 187 B14R1.540 C[C@H](O)CNC(C=O)c1ccccc1 7ff88e9eb2c25345b47ddd865d00b027 [0,0,0,0,0,1|1,0,2]=4 188 B14R1.549 CC(C)CN(C=O)Cc1ccccc1 f56076c4b7ce762bcff70e93aa4b1274 [0,0,0,0,0,1|1,0,1]=3 189 B14R1.549 CC(C)CN(C=O)Cc1ccccn1 890693bea366c9436b2bb71333ed3e8d [0,0,0,0,0,1|2,0,1]=4 190 B14R1.549 CC(C)OC(C=O)Cc1ccccc1 abc3a24282c3ececf16cd556f009693c [0,0,0,0,0,1|1,0,1]=3 191 B14R1.549 CC(O)CN(C=O)Cc1ccccc1 8a9021c9da8fc0423e9366890265eec5 [0,0,0,0,0,1|2,0,1]=4 192 B14R1.549 C[C@@H](O)CN(C=O)Cc1ccccc1 851a54fca590502b644016af44c689c8 [0,0,0,0,0,1|2,0,1]=4 193 B14R1.549 C[C@H](O)CN(C=O)Cc1ccccc1 c22d6a2dd002ea8e09d4fed3567265f7 [0,0,0,0,0,1|2,0,1]=4 194 B11R1.12 CCN(C=O)c1ccccc1 da6bb0dc53f1d66135131d66e3bbe341 [2,0,0,0,0,0|1,0,0]=3 195 B11R1.12 CCN(C=O)c1ccccn1 37ec100e83e1f6ae17d6e3d5e7e2efcf [2,0,0,0,0,0|2,0,0]=4 196 B11R1.12 CCN(C=O)c1cccnc1 480f2644a238345f8cb34be867d4aca8 [2,0,0,0,0,0|2,0,0]=4 197 B11R1.12 CCN(C=O)c1ccncc1 509a741e45cf3609202d1982e0d164de [2,0,0,0,0,0|2,0,0]=4 198 B11R1.91 CC(C)CNc1ccccc1 408d8a64ab70f9eca096d81d546b6049 [2,0,0,0,0,0|1,0,1]=4 199 B11R1.91 CC(C)NCc1ccccc1 60272e3c9303882f29d21331dcab1491 [2,0,0,0,0,0|1,0,1]=4 200 B11R1.91 CC(C)OCc1ccccc1 7aa508df1117d05227b589ad5630d192 [2,0,0,0,0,0|1,0,1]=4 201 B13R1.2 CCCN(C=O)c1cccc(c1)C 27539193e5a3678407cf84cdee475b3f [1,1,0,0,0,0|1,0,1]=4 202 B13R1.2 CCCN(C=O)c1cccc(c1)Cl eb33cba5e97262423ca5d3922b734649 [1,1,0,0,0,0|1,0,1]=4 203 B13R1.2 CCCN(C=O)c1cccc(c1)O 8fb0b802e7e695196fe728d079f84097 [1,1,0,0,0,0|1,0,1]=4 204 B13R1.26 CCCCN(C=O)c1ccccc1 3f4748206aeba81d0167a4b2cec011f1 [1,1,0,0,0,0|1,0,1]=4 205 B13R1.26 CCCNC(C=O)c1ccccc1 a9d865eede21a251ca86aba62b2c978e [1,1,0,0,0,0|0,0,2]=4 206 B13R1.26 CCO/C=C(\C=O)/c1ccccc1 25f4250e235f80b5c88931384da54a3b [1,1,0,0,0,0|0,0,0]=2 207 B13R1.26 CCO/C=C(\C=O)/c1ccccn1 6d516e74e898fa87af344730d1cbc5d3 [1,1,0,0,0,0|1,0,0]=3 208 B13R1.26 CCO/C=C(\C=O)/c1ccncc1 dc869c5232cbc58bd60bb9adea15eceb [1,1,0,0,0,0|1,0,0]=3 209 B13R1.26 CCO/C=C(\C=O)/c1ccncn1 675204aa48f1f4eedf74cd55e9f55594 [1,1,0,0,0,0|2,0,0]=4 210 B13R1.26 CCO/C=C(\C=O)/c1cnccn1 88eaca9da737e77c47552ffc841e634f [1,1,0,0,0,0|2,0,0]=4 211 B13R1.26 CCOC=C(C#N)c1ccccc1 63d5f0c73e0b48ce02dbca621b7398ce [1,1,0,0,0,0|1,0,1]=4 212 B13R1.26 COCCN(C=O)c1ccccc1 a2c0cc9770a17f9d61a7c772186f21d3 [1,1,0,0,0,0|1,0,1]=4 213 B13R1.26 O=C/C(=C\OCF)/c1ccccc1 c95aab4ef0ec92a39993b301751d3d7f [1,1,0,0,0,0|1,0,0]=3 214 B13R1.26 O=C/C(=C\OCF)/c1ccccn1 68e5b18d0248a0492062d5a000f713fd [1,1,0,0,0,0|2,0,0]=4 215 B13R1.26 O=C/C(=C\OCF)/c1ccncc1 58deaee1e5d1fda6ab634584552204e9 [1,1,0,0,0,0|2,0,0]=4 216 B13R1.26 O=CC(NCCBr)c1ccccc1 4d607c35dd84aa7985340a2c60d4b6cb [1,1,0,0,0,0|1,0,1]=4 217 B13R1.26 O=CC(NCCF)c1ccccc1 ad6d333ce28a591c6cf045b53cb35ab3 [1,1,0,0,0,0|1,0,1]=4 218 B13R1.26 O=CC(NCCI)c1ccccc1 2894ee4b322c4a2ae54c87071a51c7de [1,1,0,0,0,0|1,0,1]=4 219 B13R1.26 O=CC(NCCO)c1ccccc1 a329887f1e1bc65085d7a4d4d820b798 [1,1,0,0,0,0|1,0,1]=4 220 B13R1.26 O=CC(NCCS)c1ccccc1 1dc6c50ba26b2e40756a4dc367102bc6 [1,1,0,0,0,0|1,0,1]=4 221 B13R1.26 O=CN(CCCO)c1ccccc1 239ae522582c17715a6d6637479d71ee [1,1,0,0,0,0|1,0,1]=4 222 B13R1.173 CCCN(C=O)c1ccccc1F d9939c3740122ad73335e018f73db703 [1,1,0,0,0,0|1,0,1]=4 223 B13R1.398 CCCC(NC=O)c1ccccc1 96bad0e766597a2cabffc3b0b14b65c3 [1,1,0,0,0,0|0,0,2]=4 224 B13R1.398 CCCN(CC=O)c1ccccc1 39a7a58e99af9b71e22cb7938ca8dbb9 [1,1,0,0,0,0|1,0,1]=4 225 B13R1.398 CCC[C@@H](NC=O)c1ccccc1 c100f0eb9e21127e7debfa92a2f93695 [1,1,0,0,0,0|0,0,2]=4 226 B13R1.398 CCC[C@H](NC=O)c1ccccc1 ba59810a5832a204f837ae12221fa56d [1,1,0,0,0,0|0,0,2]=4 227 B13R1.402 CCOC(C)(C=O)c1ccccc1 98bf4a06a3acb9fdae1b015022e8ee05 [1,1,0,0,0,0|1,0,1]=4 228 B13R1.405 CCNC(C(=O)N)c1ccccc1 3a9e509bb7a36804140905d5d5255dd9 [1,1,0,0,0,0|1,0,1]=4 229 B13R1.405 CCNC(C(=O)O)c1ccccc1 2da17e1ce9e7f565721e624ebeefc560 [1,1,0,0,0,0|1,0,1]=4 230 B13R1.405 CCN[C@@H](C(=O)N)c1ccccc1 8297ff417df1cc6ca16c12f46d118770 [1,1,0,0,0,0|1,0,1]=4 231 B13R1.405 CCN[C@@H](C(=O)O)c1ccccc1 bbb5413322df4340130ea9a37ea31842 [1,1,0,0,0,0|1,0,1]=4 232 B13R1.405 CCN[C@H](C(=O)N)c1ccccc1 d3cf846f3a8b811ad72aff28ee83c3c0 [1,1,0,0,0,0|1,0,1]=4 233 B13R1.405 CCN[C@H](C(=O)O)c1ccccc1 3357d9db2dcc627327e25ebf1f9eafed [1,1,0,0,0,0|1,0,1]=4 234 B13R1.405 CCOC(C(=O)C)c1ccccc1 978b8a065cefe3dd4c48c28bab1ef6f1 [1,1,0,0,0,0|1,0,1]=4 235 B13R1.405 CCOC(C(=O)N)c1ccccc1 4cadd269f5009a12d685dab928c6328d [1,1,0,0,0,0|1,0,1]=4 236 B13R1.405 CCOC(C(=O)O)c1ccccc1 bf2a391e548c65a683a0a45a2b3fdcac [1,1,0,0,0,0|1,0,1]=4 237 B13R1.405 CCO[C@@H](C(=O)N)c1ccccc1 93f6fc7d6947450b6bb9e9e3f4e8d071 [1,1,0,0,0,0|1,0,1]=4 238 B13R1.405 CCO[C@@H](C(=O)O)c1ccccc1 26ff87578b2634a5a13bd7cc5cbb3ff5 [1,1,0,0,0,0|1,0,1]=4 239 B13R1.405 CCO[C@H](C(=O)N)c1ccccc1 a51bdf38f41c41f4f543792d8b6211e5 [1,1,0,0,0,0|1,0,1]=4 240 B13R1.405 CCO[C@H](C(=O)O)c1ccccc1 a9cfff70734151ac3e9919424a3b721c [1,1,0,0,0,0|1,0,1]=4 241 B13R1.532 CCN(C)C(C=O)c1ccccc1 f990741681601dfdd34b91c11a5b4755 [1,1,0,0,0,0|1,0,1]=4 242 B13R1.11 C#CC(C)NC(=O)c1ccccc1 a68183aa743ef395afff1ae17c6f9ece [1,1,0,0,0,0|1,0,1]=4 243 B13R1.11 C#C[C@@H](C)NC(=O)c1ccccc1 b0e4393b72a0baad2c34bccbde28f05f [1,1,0,0,0,0|1,0,1]=4 244 B13R1.11 C#C[C@H](C)NC(=O)c1ccccc1 8725e1c8b23ccb3eb0de56573cbe941c [1,1,0,0,0,0|1,0,1]=4 245 B13R1.11 C=CC(C)NC(=O)c1ccccc1 98bd3d34af5d95f4fcc148c17e276e4c [1,1,0,0,0,0|1,0,1]=4 246 B13R1.11 CC(C#N)NC(=O)c1ccccc1 ec6baa6e11a00b9558f518c178d5d30a [1,1,0,0,0,0|1,0,1]=4 247 B13R1.11 CC(CO)NC(=O)c1ccccc1 df750009c3e55e45b197efd3b545a3b5 [1,1,0,0,0,0|1,0,0]=3 248 B13R1.11 CC(CO)NC(=O)c1ccccn1 1c76f0c4bd3cbb1481fae4a14e240875 [1,1,0,0,0,0|2,0,0]=4 249 B13R1.11 CC(CO)NC(=O)c1cccnc1 4b32f4a443eb01098e3d876cfc72d3cf [1,1,0,0,0,0|2,0,0]=4 250 B13R1.11 CC(CO)NC(=O)c1ccncc1 af26767d211ba061fff94abd7a36151f [1,1,0,0,0,0|2,0,0]=4 251 B13R1.11 CCC(C)NC(=O)c1ccccc1 a24eb8c017f10a79362021a72e15a1c5 [1,1,0,0,0,0|1,0,0]=3 252 B13R1.11 CCC(C)NC(=O)c1ccccn1 b23862632c23cd8ceeb2c5565276c22d [1,1,0,0,0,0|2,0,0]=4 253 B13R1.11 CCC(C)NC(=O)c1cccnc1 548c69578c32562372d09ecca4049638 [1,1,0,0,0,0|2,0,0]=4 254 B13R1.11 CCC(C)NC(=O)c1ccncc1 4bccf6f3301803fd76d25f069b4ea143 [1,1,0,0,0,0|2,0,0]=4 255 B13R1.11 CCN(C)CC(=O)c1ccccc1 35f11f1a6f778abbef85229a19e2a61f [1,1,0,0,0,0|1,0,1]=4 256 B13R1.11 CC[C@@H](C)NC(=O)c1ccccc1 5ab596bb25c88592dc60fb3be166fea6 [1,1,0,0,0,0|1,0,0]=3 257 B13R1.11 CC[C@@H](C)NC(=O)c1ccccn1 16d74b3271ede29f75b491ebd74a934f [1,1,0,0,0,0|2,0,0]=4 258 B13R1.11 CC[C@@H](C)NC(=O)c1cccnc1 43b979bfee5470502abb2e112513fcf0 [1,1,0,0,0,0|2,0,0]=4 259 B13R1.11 CC[C@@H](C)NC(=O)c1ccncc1 70753b4bdf29801bd157d14d1d46eab9 [1,1,0,0,0,0|2,0,0]=4 260 B13R1.11 CC[C@H](C)NC(=O)c1ccccc1 c658e513af3b9f827ed093c5c341ea70 [1,1,0,0,0,0|1,0,0]=3 261 B13R1.11 CC[C@H](C)NC(=O)c1ccccn1 890b757afc220f85813795e6e40e1ec8 [1,1,0,0,0,0|2,0,0]=4 262 B13R1.11 CC[C@H](C)NC(=O)c1cccnc1 b87b432b47565b6cd0dedeb7dd9f0e08 [1,1,0,0,0,0|2,0,0]=4 263 B13R1.11 CC[C@H](C)NC(=O)c1ccncc1 34c1b4dc661391e4eaab659125ddac7e [1,1,0,0,0,0|2,0,0]=4 264 B13R1.11 C[C@@H](CO)NC(=O)c1ccccc1 5ac46a612d039f4f7153f2869e6a4af6 [1,1,0,0,0,0|1,0,0]=3 265 B13R1.11 C[C@@H](CO)NC(=O)c1ccccn1 75a34bf2a9ddad7aa301d967b9b2bdad [1,1,0,0,0,0|2,0,0]=4 266 B13R1.11 C[C@@H](CO)NC(=O)c1cccnc1 76d8a1bca9525658c84e1cbf803a2c2a [1,1,0,0,0,0|2,0,0]=4 267 B13R1.11 C[C@@H](CO)NC(=O)c1ccncc1 7746371b9712cb32d213a8c8661a6269 [1,1,0,0,0,0|2,0,0]=4 268 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 1a37ee807e2700436419a9a18680b478 [1,1,0,0,0,0|1,0,0]=3 269 B13R1.11 C[C@H](CO)NC(=O)c1ccccn1 d8e80360a3bdd5c1125ca734b7c19bbc [1,1,0,0,0,0|2,0,0]=4 270 B13R1.11 C[C@H](CO)NC(=O)c1cccnc1 06166d29a2ca3e3a86613fafb376925c [1,1,0,0,0,0|2,0,0]=4 271 B13R1.11 C[C@H](CO)NC(=O)c1ccncc1 fc1e710c8eaac1f24de2d4dbb698b488 [1,1,0,0,0,0|2,0,0]=4 272 B13R1.152 CC(C)N(C)C(=O)c1ccccc1 0565549dcca5919b30d2c1fa5550dffd [1,1,0,0,0,0|1,0,0]=3 273 B13R1.152 CC(C)N(C)C(=O)c1ccccn1 63a6e4905a9fd812557ba20581526de2 [1,1,0,0,0,0|2,0,0]=4 274 B13R1.152 CC(C)N(C)C(=O)c1cccnc1 659c7b509e0684fd5e841ce6d4ec9b12 [1,1,0,0,0,0|2,0,0]=4 275 B13R1.152 CC(C)N(C)C(=O)c1ccncc1 23124f4d84ddc3f7dd5129e65c65f63f [1,1,0,0,0,0|2,0,0]=4 276 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 a82ffd04679db65bd6b4bd44bbaf44e9 [1,1,0,0,0,0|1,0,0]=3 277 B13R1.352 CC(C)(C)NC(=O)c1ccccn1 5c7fc1324eb32e44ce60bef10d8e0095 [1,1,0,0,0,0|2,0,0]=4 278 B13R1.352 CC(C)(C)NC(=O)c1cccnc1 226979dc05f231de934fbac78f08e5c8 [1,1,0,0,0,0|2,0,0]=4 279 B13R1.352 CC(C)(C)NC(=O)c1ccncc1 20a85624040e11d3991db025e8260743 [1,1,0,0,0,0|2,0,0]=4 280 B13R1.706 CC(C)N(C=O)c1ccc(cc1)Br cabf1dcc49c3472cbc8fccc51de1ce53 [0,1,0,0,1,0|1,0,0]=3 281 B13R1.706 CC(C)N(C=O)c1ccc(cc1)Cl 2f05344ed6d77798a8268260333d8dbd [0,1,0,0,1,0|1,0,0]=3 282 B13R1.706 CC(C)N(C=O)c1ccc(cc1)F 287920e47d7e0eb3e17ed87149a63571 [0,1,0,0,1,0|1,0,0]=3 283 B13R1.706 CC(C)N(C=O)c1ccc(cc1)O 95352495f54c429596f8afedad81bd28 [0,1,0,0,1,0|1,0,0]=3 284 B13R1.706 Cc1ccc(cc1)N(C=O)C(C)C 26a1073caa4cc770c003903e807909d6 [0,1,0,0,1,0|1,0,0]=3 285 B13R1.716 CC(C)N(C=O)c1cccc(c1)Br 038a4ced7ef0c0d597c1e869c1a4bb0c [0,1,0,0,1,0|1,0,0]=3 286 B13R1.716 CC(C)N(C=O)c1cccc(c1)Cl 687e6aed41296e49433e01f9c875fafd [0,1,0,0,1,0|1,0,0]=3 287 B13R1.716 CC(C)N(C=O)c1cccc(c1)F d3d6dbc80813d3079d78bdff63e95962 [0,1,0,0,1,0|1,0,0]=3 288 B13R1.716 CC(C)N(C=O)c1cccc(n1)Br 509c7ecac24be81c5a00280c2cb841e4 [0,1,0,0,1,0|2,0,0]=4 289 B13R1.716 Cc1cccc(c1)N(C=O)C(C)C 54e552d3b539301982ba49d5574c32c1 [0,1,0,0,1,0|1,0,0]=3 290 B13R1.720 CC(C)N(C=O)c1ccccc1Br 60a484452b580ceab0f4d1d22ce72ef7 [0,1,0,0,1,0|1,0,0]=3 291 B13R1.720 CC(C)N(C=O)c1ccccc1F 079f04c5fb9349fc8d61462c587552fa [0,1,0,0,1,0|1,0,0]=3 292 B13R1.720 CC(C)N(C=O)c1ccccc1S c57439dc7556967d529b0305f7187cbc [0,1,0,0,1,0|1,0,0]=3 293 B13R1.720 Cc1ccccc1N(C=O)C(C)C 601d6e8bfa2df10855d01210e1df0692 [0,1,0,0,1,0|1,0,0]=3 294 B13R1.1111 CC(=O)N(c1ccccn1)C(C)C c9b4c484e6a276bed2c925a02c00c548 [0,1,0,0,1,0|2,0,0]=4 295 B15R1.523 CC(C)C(C)NC(C=O)c1ccccc1 f546f7b67614127f81bc3c8e77378f91 [0,1,0,0,0,1|0,0,2]=4 296 B15R1.523 CC(C)C(C)OC(C=O)c1ccccc1 476c41763ed9d5883ecbe7e8079dfc7d [0,1,0,0,0,1|0,0,2]=4 297 B15R1.523 CC(C)[C@@H](C)NC(C=O)c1ccccc1 ea45efd2acb96b51866d9d14d211d846 [0,1,0,0,0,1|0,0,2]=4 298 B15R1.523 CC(C)[C@@H](C)OC(C=O)c1ccccc1 bc807112840cf9cd0baa6ec906b89bbf [0,1,0,0,0,1|0,0,2]=4 299 B15R1.523 CC(C)[C@H](C)NC(C=O)c1ccccc1 d392006ff6b73c26e6bec4f9cf312ad7 [0,1,0,0,0,1|0,0,2]=4 300 B15R1.523 CC(C)[C@H](C)OC(C=O)c1ccccc1 3d753bc1a0ded11c1eb75a161e747440 [0,1,0,0,0,1|0,0,2]=4 301 B15R1.659 CC(C)OC=C(C#N)c1ccc(cc1)Br c4a1d34e49fdcd7a856eb30d643aa472 [0,1,0,0,0,1|1,0,1]=4 302 B15R1.659 Cc1ccc(cc1)/C(=C/OC(C)C)/C#N 43561efd9d5d3ad2605d6017d73c1c6d [0,1,0,0,0,1|1,0,1]=4 303 B15R1.1097 C#CC(C)O/C=C(\C=O)/c1ccccc1 cd27352b9ad0a645771eca56e19ce148 [0,1,0,0,0,1|0,0,1]=3 304 B15R1.1097 C#CC(C)O/C=C(\C=O)/c1ccccn1 e6b9b876b70b3f152b160f51094bb864 [0,1,0,0,0,1|1,0,1]=4 305 B15R1.1097 C#CC(C)O/C=C(\C=O)/c1ccncc1 0e75948223d55e74fcd7c7dea7d27b30 [0,1,0,0,0,1|1,0,1]=4 306 B15R1.1097 C=CC(C)O/C=C(\C=O)/c1ccccc1 42e2d49d0dca4b7789930d2d73903005 [0,1,0,0,0,1|0,0,1]=3 307 B15R1.1097 C=CC(C)O/C=C(\C=O)/c1ccccn1 f028472278e1cde711b0c3c4cff44ce4 [0,1,0,0,0,1|1,0,1]=4 308 B15R1.1097 C=CC(C)O/C=C(\C=O)/c1ccncc1 475b79dca77c395ab2785460e1a661a8 [0,1,0,0,0,1|1,0,1]=4 309 B15R1.1097 CC(C#N)O/C=C(\C=O)/c1ccccc1 f3c0f57ad3f64527140a9a6f403d5755 [0,1,0,0,0,1|0,0,1]=3 310 B15R1.1097 CC(C#N)O/C=C(\C=O)/c1ccccn1 8cd63309d2774beecb0268d2bebda8a5 [0,1,0,0,0,1|1,0,1]=4 311 B15R1.1097 CC(C#N)O/C=C(\C=O)/c1ccncc1 68326cc6ab84481745731662996f1222 [0,1,0,0,0,1|1,0,1]=4 312 B15R1.1097 CC(C=O)O/C=C(\C=O)/c1ccccc1 4810d94973fa87276fefc8e66ab43e86 [0,1,0,0,0,1|0,0,1]=3 313 B15R1.1097 CC(C=O)O/C=C(\C=O)/c1ccccn1 69e1b4c1365b0a525355752bf34aed95 [0,1,0,0,0,1|1,0,1]=4 314 B15R1.1097 CC(C=O)O/C=C(\C=O)/c1ccncc1 f0dbaa43b1f79922d9185f69ec4193a5 [0,1,0,0,0,1|1,0,1]=4 315 B15R1.1097 CC(CO)CNC(C=O)c1ccccc1 03575ffe1ede50b7609e2af7cf6d2c17 [0,1,0,0,0,1|0,0,2]=4 316 B15R1.1097 CCC(C)CNC(C=O)c1ccccc1 e51e7447220f84986e60186fb98c8b28 [0,1,0,0,0,1|0,0,2]=4 317 B15R1.1097 CCC(C)O/C=C(\C=O)/c1ccccc1 c793fe860f2ae736a5e76ee8e28df4c9 [0,1,0,0,0,1|0,0,0]=2 318 B15R1.1097 CCC(C)O/C=C(\C=O)/c1ccccn1 330e268ccc272f00381a7f0ce7272d2d [0,1,0,0,0,1|1,0,0]=3 319 B15R1.1097 CCC(C)O/C=C(\C=O)/c1ccncc1 60c89e2467785fb1dc05448be50ce412 [0,1,0,0,0,1|1,0,0]=3 320 B15R1.1097 CCC(C)O/C=C(\C=O)/c1ccncn1 a3886682fef9e44dc92d30fc62734b39 [0,1,0,0,0,1|2,0,0]=4 321 B15R1.1097 CCC(C)O/C=C(\C=O)/c1cnccn1 956710abfd5a2667a25d160f713adcc0 [0,1,0,0,0,1|2,0,0]=4 322 B15R1.1097 CCC(C)OC=C(C#N)c1ccccc1 ca502566562d58adcafc5ba6171d0352 [0,1,0,0,0,1|1,0,1]=4 323 B15R1.1097 CC[C@H](C)CNC(C=O)c1ccccc1 81be10765a659e2ffab8ad5476f28512 [0,1,0,0,0,1|0,0,2]=4 324 B15R1.1097 CO[C@@H](C)CNC(C=O)c1ccccc1 c0cb36e0d9a4a4a5c7317643a5e1b216 [0,1,0,0,0,1|0,0,2]=4 325 B15R1.1097 CO[C@H](C)CNC(C=O)c1ccccc1 6c21863bbc40c9076281de423aa26f16 [0,1,0,0,0,1|0,0,2]=4 326 B15R1.1097 C[C@H](C=O)O/C=C(\C=O)/c1ccccc1 c56a51e5d7a26d1cef366c794b4f8a11 [0,1,0,0,0,1|0,0,1]=3 327 B15R1.1097 C[C@H](C=O)O/C=C(\C=O)/c1ccccn1 ab21901b781e948f29cc69ecb061915e [0,1,0,0,0,1|1,0,1]=4 328 B15R1.1097 C[C@H](C=O)O/C=C(\C=O)/c1ccncc1 ab3af7855ed827044e37e81b19dcd2de [0,1,0,0,0,1|1,0,1]=4 329 B15R1.1097 C[C@H](CO)CNC(C=O)c1ccccc1 c158eb4bb3cfdc8d8f2e8b3ca9bca19f [0,1,0,0,0,1|0,0,2]=4 330 B15R1.1097 N#CC(F)O/C=C(\C=O)/c1ccccc1 8292c1567b599f9fa44fcbaff2dea30e [0,1,0,0,0,1|1,0,1]=4 331 B15R1.1350 CC(C)CC(C)N(C=O)c1ccccc1 cc81171534af84d1809c429d45de481c [0,1,0,0,0,1|1,0,1]=4 332 B15R1.1350 CC(C)CN(C)C(C=O)c1ccccc1 cabffad926549e97b1e69917f4e4cd20 [0,1,0,0,0,1|0,0,2]=4 333 B15R1.5334 CC(C)(C)CNC(C=O)c1ccccc1 f4b10c86de460c5be29fdb1984a12045 [0,1,0,0,0,1|0,0,2]=4 334 B15R1.5334 CC(C)(O)CNC(C=O)c1ccccc1 38166625e8ec368c4af1087fa9cd9e04 [0,1,0,0,0,1|0,0,2]=4 335 B15R1.10019 CC(C)O/C=C(\C#N)/c1ccccc1Br 98d0c93c5eafde981321a6e47034cb33 [0,1,0,0,0,1|1,0,1]=4 336 B15R1.12293 CC(=O)C(NCC(C)C)c1ccccc1 c58264d72dac085814ceb862eaa7e16f [0,1,0,0,0,1|0,0,2]=4 337 B15R1.12293 CC(=O)C(OCC(C)C)c1ccccc1 2618e09c9752b73673f904ee520f838a [0,1,0,0,0,1|0,0,2]=4 338 B15R1.12293 CC(C)CNC(C(=O)N)c1ccccc1 6fb30a9dea404022b6e220fb587bbb0c [0,1,0,0,0,1|0,0,2]=4 339 B15R1.12293 CC(C)CNC(C(=O)O)c1ccccc1 ebf7154933dff5763117f8bbc3e4783e [0,1,0,0,0,1|0,0,2]=4 340 B15R1.12293 CC(C)CN[C@@H](C(=O)N)c1ccccc1 92a53d89215f558c82e99b51a8a54b2a [0,1,0,0,0,1|0,0,2]=4 341 B15R1.12293 CC(C)CN[C@@H](C(=O)O)c1ccccc1 03de742171dfb7dc1ff74b8d89cab4cb [0,1,0,0,0,1|0,0,2]=4 342 B15R1.12293 CC(C)CN[C@H](C(=O)N)c1ccccc1 d5a1a9af1a49f869bdae4286f10cfd04 [0,1,0,0,0,1|0,0,2]=4 343 B15R1.12293 CC(C)CN[C@H](C(=O)O)c1ccccc1 8173f7f6fdb560b91fa54cd882e07102 [0,1,0,0,0,1|0,0,2]=4 344 B15R1.12293 CC(C)COC(C(=O)N)c1ccccc1 507f5aed27af438645b27a2a89d056c6 [0,1,0,0,0,1|0,0,2]=4 345 B15R1.12293 CC(C)COC(C(=O)O)c1ccccc1 a161db73089fb10c960f07812e44f0b6 [0,1,0,0,0,1|0,0,2]=4 346 B15R1.12293 CC(C)CO[C@@H](C(=O)N)c1ccccc1 4c56ffdaf9363b95fe3357f300504f3c [0,1,0,0,0,1|0,0,2]=4 347 B15R1.12293 CC(C)CO[C@@H](C(=O)O)c1ccccc1 d299dd53834dc95e494050dfb85f706a [0,1,0,0,0,1|0,0,2]=4 348 B15R1.12293 CC(C)CO[C@H](C(=O)N)c1ccccc1 fea6dcc3fa57d4256f2e52e0fd763925 [0,1,0,0,0,1|0,0,2]=4 349 B15R1.12293 CC(C)CO[C@H](C(=O)O)c1ccccc1 b3445a5674ecc5b83db1f0589f70ca1e [0,1,0,0,0,1|0,0,2]=4 350 B15R1.12293 CC(C)NCC(C(=O)O)c1ccccc1 a45126cec842f404c9c458137fce4c5a [0,1,0,0,0,1|0,0,2]=4 351 B15R1.12293 CC(C)NC[C@@H](C(=O)O)c1ccccc1 becfb25cab658533ca77f3f8034fe6f1 [0,1,0,0,0,1|0,0,2]=4 352 B15R1.12293 CC(C)NC[C@H](C(=O)O)c1ccccc1 5a1ebf89ff01e047613d39961d45ed8d [0,1,0,0,0,1|0,0,2]=4 353 B15R1.12293 CC(C)OCC(C(=O)N)c1ccccc1 7439246255809e2041992b108276134a [0,1,0,0,0,1|0,0,2]=4 354 B15R1.12293 CC(C)OCC(C(=O)O)c1ccccc1 0a93dace7f02ff30984589235c1d8184 [0,1,0,0,0,1|0,0,2]=4 355 B15R1.12293 CC(C)OC[C@@H](C(=O)O)c1ccccc1 b0d838f0478f9877dee4bcd4a7836dae [0,1,0,0,0,1|0,0,2]=4 356 B15R1.12293 CC(C)OC[C@H](C(=O)O)c1ccccc1 5c59f621633eb04f99ee965f94fbeddb [0,1,0,0,0,1|0,0,2]=4 357 B15R1.13394 CC(C)COC(C)(C=O)c1ccccc1 c44f9fd19630fcff9b3632c17a95273a [0,1,0,0,0,1|0,0,2]=4 358 B15R1.649 CC(C)(C)CN(C=O)Cc1ccccc1 08368f641e8af8c7d2c5d4abf5e0c186 [0,1,0,0,0,1|1,0,1]=4 359 B15R1.649 CC(C)(C)NC(C=O)Cc1ccccc1 81b1f131482d316ebfc77a1f400e0050 [0,1,0,0,0,1|1,0,1]=4 360 B15R1.649 CC(C)(O)CN(C=O)Cc1ccccc1 fd877fd450f62def0982102fdbcf5f5d [0,1,0,0,0,1|1,0,1]=4 361 B15R1.663 CC(C)CN(C=O)Cc1cccc(c1)Cl 9ad5c3d03837ec8f0055e5340e243466 [0,1,0,0,0,1|1,0,1]=4 362 B15R1.663 CC(C)CN(C=O)Cc1cccc(c1)F 279d6b726dfd251613522e58803f90c0 [0,1,0,0,0,1|1,0,1]=4 363 B15R1.663 Cc1cccc(c1)CN(C=O)CC(C)C 047cdebf56b101f578dfcb1e0f9366a3 [0,1,0,0,0,1|1,0,1]=4 364 B15R1.670 CC(C)CN(C=O)Cc1ccccc1Br 7c776cb223c88b2e6180e337f1051d06 [0,1,0,0,0,1|1,0,1]=4 365 B15R1.670 CC(C)CN(C=O)Cc1ccccc1F b545a55b2f3ea97355e3e21dcf029c7a [0,1,0,0,0,1|1,0,1]=4 366 B15R1.671 CC(C)N(C)C(C=O)Cc1ccccc1 b30cd515686b190757a8e82508c9ae8f [0,1,0,0,0,1|1,0,1]=4 367 B15R1.966 CC(CF)OC(C=O)Cc1ccccc1 4c5c775df2a9e3535281265246a35f6f [0,1,0,0,0,1|1,0,1]=4 368 B15R1.966 CC(CO)CN(C=O)Cc1ccccc1 3cc05c62dea1ce532d4ecbafe3113267 [0,1,0,0,0,1|1,0,1]=4 369 B15R1.966 CC(CO)NC(C=O)Cc1ccccc1 b781377a621bf42129de9d1a6fdaf0eb [0,1,0,0,0,1|1,0,1]=4 370 B15R1.966 CCC(C)NC(C=O)Cc1ccccc1 973077a812336f9e696a759b01dd3013 [0,1,0,0,0,1|1,0,1]=4 371 B15R1.966 CCC(C)OC(C=O)Cc1ccccc1 c7bee0417a13b527b497d509ef69cae7 [0,1,0,0,0,1|1,0,1]=4 372 B15R1.966 CC[C@@H](C)NC(C=O)Cc1ccccc1 b52179a838cb8c30ff575485cd016590 [0,1,0,0,0,1|1,0,1]=4 373 B15R1.966 CC[C@@H](C)OC(C=O)Cc1ccccc1 5282088abae670695f68705811af378b [0,1,0,0,0,1|1,0,1]=4 374 B15R1.966 CC[C@H](C)NC(C=O)Cc1ccccc1 039899760989d6b3cd9d30576620749f [0,1,0,0,0,1|1,0,1]=4 375 B15R1.966 CC[C@H](C)OC(C=O)Cc1ccccc1 e3e29068fa2ab36e35e304ded27a2f31 [0,1,0,0,0,1|1,0,1]=4 376 B15R1.966 C[C@@H](CO)NC(C=O)Cc1ccccc1 0ba3606cfcbca945da941b766614559f [0,1,0,0,0,1|1,0,1]=4 377 B15R1.966 C[C@H](CO)NC(C=O)Cc1ccccc1 f1d081d215a5905c0cbbbb0c3a7db52a [0,1,0,0,0,1|1,0,1]=4 378 B15R1.1310 CC(C)CN(CC=O)Cc1ccccc1 e5afc3d8078c06e9ac900a46edfea1a1 [0,1,0,0,0,1|1,0,1]=4 379 B15R1.3565 CC(=O)N(Cc1ccccc1)CC(C)C 713a022731422cb79bb8b0caf46a2a92 [0,1,0,0,0,1|1,0,1]=4 380 B15R1.3565 CC(C)CC(Nc1ccccc1)C(=O)N 5fc76bd04b9009ac8911ca4bce695614 [0,1,0,0,0,1|0,0,2]=4 381 B15R1.3565 CC(C)CC(Nc1ccccc1)C(=O)O 18d60158e5de27c958acc85a2a0d08b2 [0,1,0,0,0,1|0,0,2]=4 382 B15R1.3565 CC(C)C[C@@H](Nc1ccccc1)C(=O)N d10bb19f545ea713330db7a2cb03648e [0,1,0,0,0,1|0,0,2]=4 383 B15R1.3565 CC(C)C[C@@H](Nc1ccccc1)C(=O)O c4f040f86881cf7f871d828b27daacb5 [0,1,0,0,0,1|0,0,2]=4 384 B15R1.3565 CC(C)C[C@H](Nc1ccccc1)C(=O)N 317101820ce9a38dbc00d652d8a82767 [0,1,0,0,0,1|0,0,2]=4 385 B15R1.3565 CC(C)C[C@H](Nc1ccccc1)C(=O)O bca437cf12a08c7bee00366f59e9c126 [0,1,0,0,0,1|0,0,2]=4 386 B15R1.3565 CC(C)NC(Cc1ccccc1)C(=O)N 1e6b21792af5e0e17e79803160822e0c [0,1,0,0,0,1|1,0,1]=4 387 B15R1.3565 CC(C)NC(Cc1ccccc1)C(=O)O e1d5162b315f0782b2c7f71a56b765dd [0,1,0,0,0,1|1,0,1]=4 388 B15R1.3565 CC(C)N[C@@H](Cc1ccccc1)C(=O)N ca5db530fb4ae7a560d8a62a219bb859 [0,1,0,0,0,1|1,0,1]=4 389 B15R1.3565 CC(C)N[C@@H](Cc1ccccc1)C(=O)O de5d07108d7a1961595fe4678c64b5ca [0,1,0,0,0,1|1,0,1]=4 390 B15R1.3565 CC(C)N[C@H](Cc1ccccc1)C(=O)N 4bdc4f684ea1b96c5b96ee525aac2905 [0,1,0,0,0,1|1,0,1]=4 391 B15R1.3565 CC(C)N[C@H](Cc1ccccc1)C(=O)O c3fa7a48d7411e40f327b415fa3095af [0,1,0,0,0,1|1,0,1]=4 392 B15R1.3565 CC(C)OC(=Cc1ccccc1)C(=O)O dc3b5b3abdaf2715608dea4533117f77 [0,1,0,0,0,1|1,0,0]=3 393 B15R1.3565 CC(C)OC(Cc1ccccc1)C(=O)O b9e7a2dcfdf0fd5d55bdab598f45a1f5 [0,1,0,0,0,1|1,0,1]=4 394 B15R1.3565 CC(C)O[C@@H](Cc1ccccc1)C(=O)O 4b5e8987b46480731bddf40bfe389eab [0,1,0,0,0,1|1,0,1]=4 395 B15R1.3565 CC(C)O[C@H](Cc1ccccc1)C(=O)O c8b18f333029ba8f52d83ff50eb1196f [0,1,0,0,0,1|1,0,1]=4 396 B15R1.152 CC(C)CC(NCC=O)c1ccccc1 00fef91c67bfd55b97e663b80e90edc3 [0,2,0,0,0,0|0,0,2]=4 397 B15R1.152 CC(C)CC(OCC=O)c1ccccc1 89c21f24b97ed756993d563a139ce1b1 [0,2,0,0,0,0|0,0,2]=4 398 B15R1.152 CC(C)C[C@@H](NCC=O)c1ccccc1 aa313cfe9697e5e0a00ca6cf4d20506e [0,2,0,0,0,0|0,0,2]=4 399 B15R1.152 CC(C)C[C@H](NCC=O)c1ccccc1 a3090d269a52b5cb69c6bb20fea18ead [0,2,0,0,0,0|0,0,2]=4 400 B15R1.625 CC(C)CC(NC=O)c1ccc(cc1)Br e36fd9658e9e442f658fbb6c263b3c4c [0,2,0,0,0,0|0,0,2]=4 401 B15R1.625 CC(C)CC(NC=O)c1ccc(cc1)Cl c5d323409d7ef55b101df108af9d1847 [0,2,0,0,0,0|0,0,2]=4 402 B15R1.625 CC(C)CC(NC=O)c1ccc(cc1)O 77b288a7ca750939ba8318367132a994 [0,2,0,0,0,0|0,0,2]=4 403 B15R1.625 CC(C)CN(CC=O)c1ccc(cc1)Br 148af7e108265b2ecc7fc59f5f37ec02 [0,2,0,0,0,0|1,0,1]=4 404 B15R1.625 Cc1ccc(cc1)N(CC=O)CC(C)C 4c17fef7dc2ba6822cc098b15c661b1e [0,2,0,0,0,0|1,0,1]=4 405 B15R1.1304 CC(C)(O)CN(CC=O)c1ccccc1 865be8e348d5c4513927c486eaf1b75f [0,2,0,0,0,0|1,0,1]=4 406 B15R1.3197 CC(C)CN(c1ccccc1)C(C)C=O 286da6e86691d6163f5817581f12ace7 [0,2,0,0,0,0|1,0,1]=4 407 B15R1.3197 CC(C)NC(C(=O)NO)c1ccccc1 aa73517494d9ea990c241720182bf6dc [0,2,0,0,0,0|1,0,1]=4 408 B15R1.3197 CNC(=O)C(NC(C)C)c1ccccc1 2e78d0b977abbdfc486281c0f87e10da [0,2,0,0,0,0|1,0,1]=4 409 B15R1.3197 CNC(=O)C(OC(C)C)c1ccccc1 3c67f7bdbaf09289bbb1f7577d99e65c [0,2,0,0,0,0|1,0,1]=4 410 B15R1.3197 CNC(=O)[C@@H](NC(C)C)c1ccccc1 7262e3e7c5db8477faa70732465d2874 [0,2,0,0,0,0|1,0,1]=4 411 B15R1.3197 CNC(=O)[C@@H](OC(C)C)c1ccccc1 ac329aa5315a6193200b6a84878331d2 [0,2,0,0,0,0|1,0,1]=4 412 B15R1.3197 CNC(=O)[C@H](NC(C)C)c1ccccc1 b2e92e85b41786bdf0b26825c2d99b65 [0,2,0,0,0,0|1,0,1]=4 413 B15R1.3197 CNC(=O)[C@H](OC(C)C)c1ccccc1 60e88698f975943e4f2cc3d2bbe7c56c [0,2,0,0,0,0|1,0,1]=4 414 B15R1.3197 COC(=O)C(NC(C)C)c1ccccc1 d22a9ea6e94a88e40bc91f269c5eb255 [0,2,0,0,0,0|1,0,1]=4 415 B15R1.3197 COC(=O)C(OC(C)C)c1ccccc1 9d4fc48a58451c37f4b8bcfaaf787c95 [0,2,0,0,0,0|1,0,1]=4 416 B15R1.3197 COC(=O)[C@@H](NC(C)C)c1ccccc1 344b2b9bafb29d5bfd0af69366a8b4c5 [0,2,0,0,0,0|1,0,1]=4 417 B15R1.3197 COC(=O)[C@@H](OC(C)C)c1ccccc1 46888de41fe83b6625f600d66760ce6b [0,2,0,0,0,0|1,0,1]=4 418 B15R1.3197 COC(=O)[C@H](OC(C)C)c1ccccc1 1b586368aed41c2d18c9a85f517fecdc [0,2,0,0,0,0|1,0,1]=4 419 B15R1.9083 CC(=O)NC(CC(C)C)c1ccccc1 9bd1d392209c4a3a76526fecdf999185 [0,2,0,0,0,0|0,0,2]=4 420 B15R1.9083 CC(=O)N[C@@H](CC(C)C)c1ccccc1 ae62759e1a67dedebf797078629d714a [0,2,0,0,0,0|0,0,2]=4 421 B15R1.9083 CC(=O)N[C@H](CC(C)C)c1ccccc1 88457840e88b5c4c597f07ed808d588e [0,2,0,0,0,0|0,0,2]=4 422 B15R1.9083 CC(C)CN(CC(=O)N)c1ccccc1 93bf84f870308641752d3df215bfcb9d [0,2,0,0,0,0|1,0,1]=4 423 B15R1.9083 CC(C)CN(CC(=O)O)c1ccccc1 c102fbb39fa44df0a2565fe39f921c5e [0,2,0,0,0,0|1,0,1]=4 424 B15R1.9083 CC(C)OC(CC(=O)O)c1ccccc1 9952589be4e42b86306ab6912e1298ea [0,2,0,0,0,0|1,0,1]=4 425 B15R1.9083 CC(C)O[C@@H](CC(=O)O)c1ccccc1 e05caff730cfe50243334f93ce36df27 [0,2,0,0,0,0|1,0,1]=4 426 B15R1.9083 CC(C)O[C@H](CC(=O)O)c1ccccc1 4cd3eced80dab881d556e5750067dcbb [0,2,0,0,0,0|1,0,1]=4 427 B15R1.9865 CC(C)CN(CC=O)c1ccccc1Cl 7a2fe1d574fbd7ad3d374450658a56fc [0,2,0,0,0,0|1,0,1]=4 428 B15R1.9865 CC(C)C[C@@H](NC=O)c1ccccc1Cl 9883d8d8b8d4ea515a6edf2002d8f64c [0,2,0,0,0,0|0,0,2]=4 429 B15R1.3036 CN(C(C=O)c1ccccc1)C(C)(C)C 316ea75ffb5908478926d100b43d77e9 [0,2,0,0,0,0|1,0,1]=4 430 B15R1.5903 CC(=O)C(NC(C)(C)C)c1ccccc1 11c69fcba38de390c47828ebb2ac2512 [0,2,0,0,0,0|1,0,1]=4 431 B15R1.5903 CC(C)(C)NC(C(=O)N)c1ccccc1 45eb87ad154286f0781811226cc48dfd [0,2,0,0,0,0|1,0,1]=4 432 B15R1.5903 CC(C)(C)NC(C(=O)O)c1ccccc1 71b66f2135fa5138269edb646652a8e7 [0,2,0,0,0,0|1,0,1]=4 433 B15R1.10044 C#CC(C)(C)NC(C=O)c1ccccc1 58729fe88b2277d2837cc7062e2081c3 [0,2,0,0,0,0|1,0,1]=4 434 B15R1.10044 CC(C)(C#N)NC(C=O)c1ccccc1 b7edc16c62892888231fe4b11b535268 [0,2,0,0,0,0|1,0,1]=4 435 B15R1.10044 CC(C)(CF)NC(C=O)c1ccccc1 629161107c746d6272cba6bd0ace32c4 [0,2,0,0,0,0|1,0,1]=4 436 B15R1.10044 CC(C)(CO)NC(C=O)c1ccccc1 ab168a9f5535c6f9e60ee7e18a4f1628 [0,2,0,0,0,0|1,0,1]=4 437 B15R1.2 CCc1ccc(cc1)N(C=O)CC(C)C d0b3c7ce417d4dc467ae321ffa3d8e6f [0,2,0,0,0,0|1,0,1]=4 438 B15R1.2 COc1ccc(cc1)N(C=O)CC(C)C 03ac8704a0291d272fd7017c30dd8274 [0,2,0,0,0,0|1,0,1]=4 439 B15R1.922 CC(=O)C(OC(C)C)c1ccc(cc1)Br 575ebd84a20e9899cc283544c8b0300d [0,2,0,0,0,0|1,0,1]=4 440 B15R1.922 CC(=O)N(CC(C)C)c1ccc(cc1)C d27b0950ef1a10c059a264f50a618c77 [0,2,0,0,0,0|1,0,1]=4 441 B15R1.922 CC(C)NC(C(=O)N)c1ccc(cc1)Cl 28b608de6b1011edb42709211b1e825a [0,2,0,0,0,0|1,0,1]=4 442 B15R1.922 CC(C)NC(C(=O)N)c1ccc(cc1)F fee11dcbfe0164c1f298d670e6977389 [0,2,0,0,0,0|1,0,1]=4 443 B15R1.922 CC(C)NC(C(=O)O)c1ccc(cc1)Br e3b96b4bd02d7db7a869d432ed405917 [0,2,0,0,0,0|1,0,1]=4 444 B15R1.922 CC(C)NC(C(=O)O)c1ccc(cc1)Cl e05889ffb19c737f2eccb2d673e81672 [0,2,0,0,0,0|1,0,1]=4 445 B15R1.922 CC(C)NC(C(=O)O)c1ccc(cc1)F 4972f38c69e1f26949f80d823d9add5f [0,2,0,0,0,0|1,0,1]=4 446 B15R1.922 CC(C)N[C@@H](C(=O)O)c1ccc(cc1)Br b2bffda622192b13b73c1e963356df91 [0,2,0,0,0,0|1,0,1]=4 447 B15R1.922 CC(C)N[C@@H](C(=O)O)c1ccc(cc1)Cl 62785f73d95869342d9b2aae5d483903 [0,2,0,0,0,0|1,0,1]=4 448 B15R1.922 CC(C)N[C@@H](C(=O)O)c1ccc(cc1)F 2952ef66073bb3934294d12b4e39b415 [0,2,0,0,0,0|1,0,1]=4 449 B15R1.922 CC(C)N[C@H](C(=O)O)c1ccc(cc1)Br 635ccf3a05c1c2d6143326ff8597af70 [0,2,0,0,0,0|1,0,1]=4 450 B15R1.922 CC(C)N[C@H](C(=O)O)c1ccc(cc1)Cl 8d8b61b2501fdf0b44f4fc1d0342f47b [0,2,0,0,0,0|1,0,1]=4 451 B15R1.922 CC(C)N[C@H](C(=O)O)c1ccc(cc1)F 1dfb8ab77e54ed29cf3297bf897ccf1b [0,2,0,0,0,0|1,0,1]=4 452 B15R1.922 CC(C)OC(C(=O)O)c1ccc(cc1)Br be18dedd7c21b1efc203deb18f52c892 [0,2,0,0,0,0|1,0,1]=4 453 B15R1.922 CC(C)OC(C(=O)O)c1ccc(cc1)Cl 60c49f993177892bd43688551446bbed [0,2,0,0,0,0|1,0,1]=4 454 B15R1.922 CC(C)OC(C(=O)O)c1ccc(cc1)F 4611c224f0515d127d433c81ac4d822b [0,2,0,0,0,0|1,0,1]=4 455 B15R1.922 CC(C)O[C@@H](C(=O)O)c1ccc(cc1)Br c9ac2c4976ebfe46da107b86b67c222f [0,2,0,0,0,0|1,0,1]=4 456 B15R1.922 CC(C)O[C@@H](C(=O)O)c1ccc(cc1)Cl 00cf4557eada36193a7de1bc7a2d0537 [0,2,0,0,0,0|1,0,1]=4 457 B15R1.922 CC(C)O[C@@H](C(=O)O)c1ccc(cc1)F 94f3d871ad494cb2284ed9eb98305ec4 [0,2,0,0,0,0|1,0,1]=4 458 B15R1.922 CC(C)O[C@H](C(=O)O)c1ccc(cc1)Br 06e6af88ed71dcb921d5bfedd46039cf [0,2,0,0,0,0|1,0,1]=4 459 B15R1.922 CC(C)O[C@H](C(=O)O)c1ccc(cc1)Cl 49de6ce390aed8eefa47904d83323573 [0,2,0,0,0,0|1,0,1]=4 460 B15R1.922 CC(C)O[C@H](C(=O)O)c1ccc(cc1)F e8e61eb9f7784b720b467233dd4d53a9 [0,2,0,0,0,0|1,0,1]=4 461 B15R1.922 Cc1ccc(cc1)C(NC(C)C)C(=O)O e799b25e8c1337abcb9e1b5d4ab18b1d [0,2,0,0,0,0|1,0,1]=4 462 B15R1.922 Cc1ccc(cc1)C(OC(C)C)C(=O)O d78154d743bec9e72cbbf5e288ac1dd4 [0,2,0,0,0,0|1,0,1]=4 463 B15R1.922 Cc1ccc(cc1)[C@@H](NC(C)C)C(=O)O 5549e1f8f6bff5dfc094c03721b80942 [0,2,0,0,0,0|1,0,1]=4 464 B15R1.922 Cc1ccc(cc1)[C@@H](OC(C)C)C(=O)O f1fc8c9755a9e52c1772251b4b52e211 [0,2,0,0,0,0|1,0,1]=4 465 B15R1.922 Cc1ccc(cc1)[C@H](NC(C)C)C(=O)O 649e1ae027ba8742575464c17c2c9c57 [0,2,0,0,0,0|1,0,1]=4 466 B15R1.62 C#Cc1cccc(c1)N(C=O)CC(C)C 367e00c9f936a6778867e2746cea889b [0,2,0,0,0,0|1,0,1]=4 467 B15R1.8317 CC(=O)C(OC(C)C)c1cccc(c1)Cl ab716bfa6e558604349f59483db3f0d4 [0,2,0,0,0,0|1,0,1]=4 468 B15R1.8317 CC(C)NC(C(=O)O)c1cccc(c1)Br 211bf0ba7719201966bf9400f777a74a [0,2,0,0,0,0|1,0,1]=4 469 B15R1.8317 CC(C)NC(C(=O)O)c1cccc(c1)Cl 8b7670d974c7f45bb1e8368768d29250 [0,2,0,0,0,0|1,0,1]=4 470 B15R1.8317 CC(C)NC(C(=O)O)c1cccc(c1)F 1ac283a4e5544118648f58235a7f715d [0,2,0,0,0,0|1,0,1]=4 471 B15R1.8317 CC(C)NC(C(=O)O)c1cccc(c1)I 95836c90a68e8ea61a4376604d6e78ed [0,2,0,0,0,0|1,0,1]=4 472 B15R1.8317 CC(C)N[C@@H](C(=O)O)c1cccc(c1)Br dbc98b67e62ed1ccf4e2c1948fa9eb51 [0,2,0,0,0,0|1,0,1]=4 473 B15R1.8317 CC(C)N[C@@H](C(=O)O)c1cccc(c1)Cl f11cef85723654e0b2d49925cfeaff75 [0,2,0,0,0,0|1,0,1]=4 474 B15R1.8317 CC(C)N[C@@H](C(=O)O)c1cccc(c1)F 0d296f0f8fea676920ac4192f3d3133c [0,2,0,0,0,0|1,0,1]=4 475 B15R1.8317 CC(C)N[C@H](C(=O)O)c1cccc(c1)Br 3f800dd378277a7fbb31b0bf56bae789 [0,2,0,0,0,0|1,0,1]=4 476 B15R1.8317 CC(C)N[C@H](C(=O)O)c1cccc(c1)Cl fe908a13d2050c4c7f5d3367a7792af4 [0,2,0,0,0,0|1,0,1]=4 477 B15R1.8317 CC(C)N[C@H](C(=O)O)c1cccc(c1)F 028d9665fe696130533b5b07627a00e0 [0,2,0,0,0,0|1,0,1]=4 478 B15R1.8317 CC(C)OC(C(=O)O)c1cccc(c1)Br 00bb9d150d0c85143ab297d176fe2537 [0,2,0,0,0,0|1,0,1]=4 479 B15R1.8317 CC(C)OC(C(=O)O)c1cccc(c1)Cl 27d0739ef30235c5ef91d180d3bfff4a [0,2,0,0,0,0|1,0,1]=4 480 B15R1.8317 CC(C)OC(C(=O)O)c1cccc(c1)F b30daaccfd910957b99a808367bf8c56 [0,2,0,0,0,0|1,0,1]=4 481 B15R1.8317 CC(C)O[C@@H](C(=O)O)c1cccc(c1)Br 7bb6e8761771e2865668ee36b166e2da [0,2,0,0,0,0|1,0,1]=4 482 B15R1.8317 CC(C)O[C@@H](C(=O)O)c1cccc(c1)Cl ed77852eb02308d7ba9f3d9d8b87ee00 [0,2,0,0,0,0|1,0,1]=4 483 B15R1.8317 CC(C)O[C@H](C(=O)O)c1cccc(c1)Br ccbe0397bc66221c2ac72fd4ceb07572 [0,2,0,0,0,0|1,0,1]=4 484 B15R1.8317 CC(C)O[C@H](C(=O)O)c1cccc(c1)Cl 638ba66fe6d23b8d3e4ad389b272d875 [0,2,0,0,0,0|1,0,1]=4 485 B15R1.8317 Cc1cccc(c1)C(NC(C)C)C(=O)O 68bd19d2fc46c41aee329ad47d789aa6 [0,2,0,0,0,0|1,0,1]=4 486 B15R1.8317 Cc1cccc(c1)C(OC(C)C)C(=O)O dc5d3582d3b9d8bd2ece22da5c18cfdc [0,2,0,0,0,0|1,0,1]=4 487 B15R1.8317 Cc1cccc(c1)[C@@H](NC(C)C)C(=O)O 014e4b8413543679119c2111ea3c232f [0,2,0,0,0,0|1,0,1]=4 488 B15R1.8317 Cc1cccc(c1)[C@H](NC(C)C)C(=O)O 552f436dcae6de2f0ab613caf785e72a [0,2,0,0,0,0|1,0,1]=4 489 B15R1.1329 CC(CO)N(C)C(C=O)c1ccccc1 3e826f92d28b3455bb9b97badbdf5794 [0,2,0,0,0,0|1,0,1]=4 490 B15R1.1329 CCC(C)N(C)C(C=O)c1ccccc1 dea322373d009419330c43f1ee5547ab [0,2,0,0,0,0|1,0,1]=4 491 B15R1.1329 C[C@@H](CO)N(C)C(C=O)c1ccccc1 9ae3d0142e31eeef9dbcafc41510eed8 [0,2,0,0,0,0|1,0,1]=4 492 B15R1.1329 C[C@H](CO)N(C)C(C=O)c1ccccc1 ff6d0767ada17b5c70d518e9f6ab5c7a [0,2,0,0,0,0|1,0,1]=4 493 B15R1.1351 CC(C)C(C#N)N(C=O)c1ccccc1 4c4e3005ec7606606fca0ec4763a9895 [0,2,0,0,0,0|1,0,1]=4 494 B15R1.1351 CCN(C(C)C)C(C=O)c1ccccc1 737c19e1b835b1393d81d70527e74635 [0,2,0,0,0,0|1,0,1]=4 495 B15R1.31796 CC(C)N(C)C(C(=O)O)c1ccccc1 dbd485ae0f19a377b3278e32da8308cc [0,2,0,0,0,0|1,0,1]=4 496 B15R1.31796 CC(C)N(C)[C@@H](C(=O)O)c1ccccc1 381a884eb9c690da40ba0409ef965d73 [0,2,0,0,0,0|1,0,1]=4 497 B15R1.31796 CC(C)N(C)[C@H](C(=O)O)c1ccccc1 d09325bf71c32abbc24832b2704f7aa2 [0,2,0,0,0,0|1,0,1]=4 498 B15R1.1257 C#CCC(C)OC(C=O)c1ccccc1 d0d85b904dbcb85c1f6ee460db45a17c [0,2,0,0,0,0|1,0,1]=4 499 B15R1.1257 C/C=C/C(C)OC(C=O)c1ccccc1 fd0f9db9a9eb069eb6942579f0f81f69 [0,2,0,0,0,0|1,0,1]=4 500 B15R1.1257 C=CCC(C)OC(C=O)c1ccccc1 5dbcd816c3da40138e3a9e7dbf18a14c [0,2,0,0,0,0|1,0,1]=4 501 B15R1.1257 C=CC[C@@H](C)OC(C=O)c1ccccc1 5a5b452a161095ed85dc4fdef7a96fb4 [0,2,0,0,0,0|1,0,1]=4 502 B15R1.1257 C=CC[C@H](C)OC(C=O)c1ccccc1 b227d81c6f3567575b9f51929a44b534 [0,2,0,0,0,0|1,0,1]=4 503 B15R1.1257 CC#CC(C)OC(C=O)c1ccccc1 74c2342c7f5c319e1f398fb41d66b551 [0,2,0,0,0,0|1,0,1]=4 504 B15R1.1257 CC(CC#N)NC(C=O)c1ccccc1 5d62dc42d0f774bb55dcaf025f43468a [0,2,0,0,0,0|1,0,1]=4 505 B15R1.1257 CC(CCO)NC(C=O)c1ccccc1 e7422ee1525ef19c326f9cff9402e94b [0,2,0,0,0,0|1,0,1]=4 506 B15R1.1257 CC=CC(C)OC(C=O)c1ccccc1 bca0cacabdd719e7d7f5539b3edf239c [0,2,0,0,0,0|1,0,1]=4 507 B15R1.1257 CCCC(C)NC(C=O)c1ccccc1 2f5c8629268fe98b38106396c71b1453 [0,2,0,0,0,0|1,0,1]=4 508 B15R1.1257 CCCC(C)OC(C=O)c1ccccc1 68d4d265b1fa0d25dd2fa05dbf798080 [0,2,0,0,0,0|1,0,1]=4 509 B15R1.1257 CCC[C@@H](C)OC(C=O)c1ccccc1 f7222e7fdd6f02c3eb6ef219f911d735 [0,2,0,0,0,0|1,0,1]=4 510 B15R1.1257 CCC[C@H](C)NC(C=O)c1ccccc1 b16f5c760021a6a0b9e6dc5ae7a4f003 [0,2,0,0,0,0|1,0,1]=4 511 B15R1.1257 CCC[C@H](C)OC(C=O)c1ccccc1 3f6c378caf5ae6c0c66234159ca70c9b [0,2,0,0,0,0|1,0,1]=4 512 B15R1.1257 COCC(C)NC(C=O)c1ccccc1 80d0f0473b99b2a3e31a7a7d7cd6a1d5 [0,2,0,0,0,0|1,0,1]=4 513 B15R1.1257 COC[C@@H](C)NC(C=O)c1ccccc1 8fab5197c4316ea7237aae17d7b566f5 [0,2,0,0,0,0|1,0,1]=4 514 B15R1.1257 COC[C@H](C)NC(C=O)c1ccccc1 86593ce8053d5f9f5dbbe9334c41a55e [0,2,0,0,0,0|1,0,1]=4 515 B15R1.1257 CSCC(C)OC(C=O)c1ccccc1 ecc076383cc43bf44766a081dcd923f9 [0,2,0,0,0,0|1,0,1]=4 516 B15R1.1257 C[C@@H](CCO)NC(C=O)c1ccccc1 5ea76bfe734ef581867c1538bdc68a75 [0,2,0,0,0,0|1,0,1]=4 517 B15R1.1257 C[C@H](CCO)NC(C=O)c1ccccc1 f266475c9923a0fc43ef455adde7c72a [0,2,0,0,0,0|1,0,1]=4 518 B15R1.5713 CCC(CC)NC(C=O)c1ccccc1 c0a2d5c2105289fc404d0a29d94c9af6 [0,2,0,0,0,0|1,0,1]=4 519 B15R1.5713 CCC(CC)OC(C=O)c1ccccc1 dff513abaeb105523469556b8d46629d [0,2,0,0,0,0|1,0,1]=4 520 B15R1.5713 CCC(CO)NC(C=O)c1ccccc1 2aee5eb7272edc61d290d9b196b0398a [0,2,0,0,0,0|1,0,1]=4 521 B15R1.5713 CC[C@@H](CO)NC(C=O)c1ccccc1 b56c961131823a6145e89581e68872c9 [0,2,0,0,0,0|1,0,1]=4 522 B15R1.5713 CC[C@H](CO)NC(C=O)c1ccccc1 876c4e124c5c45a0097bbe1e6cab6ed2 [0,2,0,0,0,0|1,0,1]=4 523 B15R1.5713 O=CC(NC(CO)CO)c1ccccc1 5e1abdfa4a2492e1b5fe7e692ad72aaa [0,2,0,0,0,0|1,0,1]=4 524 B15R1.5713 O=CC(OC(CBr)CBr)c1ccccc1 01cb8ed5dceb4716bd5fbc09dd494e3d [0,2,0,0,0,0|1,0,1]=4 525 B15R1.5713 O=CC(OC(CCl)CBr)c1ccccc1 62daac13e52b6440aa670c4128f65863 [0,2,0,0,0,0|1,0,1]=4 526 B15R1.5713 O=CC(OC(CCl)CCl)c1ccccc1 5ad6836ee0d95ebb3d1035dc15e71e32 [0,2,0,0,0,0|1,0,1]=4 527 B15R1.5713 O=CC(OC(CF)CF)c1ccccc1 1681bca94936fa5f0c5381ae1792aa3e [0,2,0,0,0,0|1,0,1]=4 528 B15R1.5713 O=CC(O[C@@H](CCl)CI)c1ccccc1 5101faabd25ef70f41a57b9035c7cb26 [0,2,0,0,0,0|1,0,1]=4 529 B15R1.5713 O=CC(O[C@H](CCl)CI)c1ccccc1 1ea7894951cc83adb5ec360e066d4026 [0,2,0,0,0,0|1,0,1]=4 530 B15R1.11815 CCC(C)OC(C)(C=O)c1ccccc1 9f4e55c1555629b6eb9d6c123f31f22e [0,2,0,0,0,0|1,0,1]=4 531 B15R1.11817 CC(=O)C(NC(C)CO)c1ccccc1 00c1267edb33075de805b80bc28212db [0,2,0,0,0,0|1,0,1]=4 532 B15R1.11817 CC(=O)C(N[C@@H](C)CO)c1ccccc1 a37cf62f649e798699b00242b5d3af36 [0,2,0,0,0,0|1,0,1]=4 533 B15R1.11817 CC(=O)C(N[C@H](C)CO)c1ccccc1 5d6790fd8f75e6428b36f3d35200a398 [0,2,0,0,0,0|1,0,1]=4 534 B15R1.11817 CC(CO)NC(C(=O)N)c1ccccc1 da242c0f6ada6b0915551872948b5141 [0,2,0,0,0,0|1,0,1]=4 535 B15R1.11817 CC(CO)NC(C(=O)O)c1ccccc1 79f3ab2115763c4ff4ce9ef074077e1b [0,2,0,0,0,0|1,0,1]=4 536 B15R1.11817 CC(CO)N[C@@H](C(=O)N)c1ccccc1 00d042ff128b41fc7e6aa4c7e8a4dd27 [0,2,0,0,0,0|1,0,1]=4 537 B15R1.11817 CC(CO)N[C@@H](C(=O)O)c1ccccc1 e632a09b9989fe5d128402d9268d4d10 [0,2,0,0,0,0|1,0,1]=4 538 B15R1.11817 CC(CO)N[C@H](C(=O)N)c1ccccc1 5b7f6dfae43a36433041a23a0d161cc7 [0,2,0,0,0,0|1,0,1]=4 539 B15R1.11817 CC(CO)N[C@H](C(=O)O)c1ccccc1 bbd94c8c397df03e70ac39e95ab89b54 [0,2,0,0,0,0|1,0,1]=4 540 B15R1.11817 CCC(C)NC(C(=O)N)c1ccccc1 49351585a929e7cedfb681b6129ac219 [0,2,0,0,0,0|1,0,1]=4 541 B15R1.11817 CCC(C)NC(C(=O)O)c1ccccc1 2ea932cec79b34764d49c0b04acb45ae [0,2,0,0,0,0|1,0,1]=4 542 B15R1.11817 CCC(C)N[C@@H](C(=O)N)c1ccccc1 27e60fdb5f96ef07870209e1670658cc [0,2,0,0,0,0|1,0,1]=4 543 B15R1.11817 CCC(C)N[C@@H](C(=O)O)c1ccccc1 bdcbc83fd453421895f0ac787fa8b2d7 [0,2,0,0,0,0|1,0,1]=4 544 B15R1.11817 CCC(C)N[C@H](C(=O)N)c1ccccc1 07960655f99652082ce8f5289dbe140b [0,2,0,0,0,0|1,0,1]=4 545 B15R1.11817 CCC(C)N[C@H](C(=O)O)c1ccccc1 3c4fa42ef111861b1568a2e121a1e279 [0,2,0,0,0,0|1,0,1]=4 546 B15R1.11817 CCC(C)OC(C(=O)C)c1ccccc1 b2746ec7a900d1411f24a6d3f3aa99da [0,2,0,0,0,0|1,0,1]=4 547 B15R1.11817 CCC(C)OC(C(=O)N)c1ccccc1 e7c9e4b22087a2e3b8d64391650e350e [0,2,0,0,0,0|1,0,1]=4 548 B15R1.11817 CCC(C)OC(C(=O)O)c1ccccc1 6c87ffa45c3a741eb0b64a0ca4cfcf89 [0,2,0,0,0,0|1,0,1]=4 549 B15R1.11817 CCC(C)O[C@@H](C(=O)N)c1ccccc1 5b480ebb49299e46ed0bf85d832f6745 [0,2,0,0,0,0|1,0,1]=4 550 B15R1.11817 CCC(C)O[C@@H](C(=O)O)c1ccccc1 2bcd913d08275cc6b1df3ba9bb7cb3df [0,2,0,0,0,0|1,0,1]=4 551 B15R1.11817 CCC(C)O[C@H](C(=O)N)c1ccccc1 53b6ea305f3c6a2ead797bf0ae37ec44 [0,2,0,0,0,0|1,0,1]=4 552 B15R1.11817 CCC(C)O[C@H](C(=O)O)c1ccccc1 93f2ef7107f25fc85c5d9798d71b71c0 [0,2,0,0,0,0|1,0,1]=4 553 B15R1.11817 C[C@@H](CO)NC(C(=O)N)c1ccccc1 f12b4665c742bade0c6a6cd078d5c43c [0,2,0,0,0,0|1,0,1]=4 554 B15R1.11817 C[C@@H](CO)NC(C(=O)O)c1ccccc1 5093f71b8010548c431f686520956c63 [0,2,0,0,0,0|1,0,1]=4 555 B15R1.11817 C[C@@H](CO)N[C@@H](C(=O)N)c1ccccc1 e1866b6f8445d996cbfd87f219ba72c5 [0,2,0,0,0,0|1,0,1]=4 556 B15R1.11817 C[C@@H](CO)N[C@@H](C(=O)O)c1ccccc1 4bea22a49a4c70f7ca687b53f3c7a96e [0,2,0,0,0,0|1,0,1]=4 557 B15R1.11817 C[C@@H](CO)N[C@H](C(=O)N)c1ccccc1 ddd0ad30329f0afba0e20bdfa158e1a0 [0,2,0,0,0,0|1,0,1]=4 558 B15R1.11817 C[C@@H](CO)N[C@H](C(=O)O)c1ccccc1 9eea7e164792651251501a4871c844e8 [0,2,0,0,0,0|1,0,1]=4 559 B15R1.11817 C[C@H](CO)NC(C(=O)N)c1ccccc1 b535fc68e0794f811e2942e8aa459990 [0,2,0,0,0,0|1,0,1]=4 560 B15R1.11817 C[C@H](CO)NC(C(=O)O)c1ccccc1 7cd8646b185eff7a0d29f3915b6bb253 [0,2,0,0,0,0|1,0,1]=4 561 B15R1.11817 C[C@H](CO)N[C@@H](C(=O)N)c1ccccc1 f3824e610b67b10a9b4a288f8260090c [0,2,0,0,0,0|1,0,1]=4 562 B15R1.11817 C[C@H](CO)N[C@@H](C(=O)O)c1ccccc1 ec47f0deabd5c600b22099a5590ec560 [0,2,0,0,0,0|1,0,1]=4 563 B15R1.11817 C[C@H](CO)N[C@H](C(=O)N)c1ccccc1 e170cac4b19e6dcd6a3ebbd47d559e64 [0,2,0,0,0,0|1,0,1]=4 564 B15R1.11817 C[C@H](CO)N[C@H](C(=O)O)c1ccccc1 ee36f8972bbb07f12313049ed6be652b [0,2,0,0,0,0|1,0,1]=4 565 B15R1.12241 CC(C)NC(C)(C(=O)N)c1ccccc1 7aa15290e1ecbb6407c9f972244c2630 [0,2,0,0,0,0|1,0,1]=4 566 B15R1.12241 CC(C)OC(C)(C(=O)O)c1ccccc1 bbc47178dbae062146fd782b86b1f9ec [0,2,0,0,0,0|1,0,1]=4 567 B15R1.12241 CC(C)O[C@](C)(C(=O)O)c1ccccc1 98e1e634c0a0f00bdd236e8bd150699a [0,2,0,0,0,0|1,0,1]=4 568 B15R1.349 CC(=O)N(CC(C)C)c1ccccc1Cl 2d162e2e17f6085bb105c0e1a1692e02 [0,2,0,0,0,0|1,0,1]=4 569 B15R1.349 CC(C)NC(C(=O)O)c1ccccc1Cl 347f604f4d76d8d09fa44d0a0f610100 [0,2,0,0,0,0|1,0,1]=4 570 B15R1.349 CC(C)NC(C(=O)O)c1ccccc1F 93542c3ed5d00f070f0fdf0fe903a1c8 [0,2,0,0,0,0|1,0,1]=4 571 B15R1.349 CC(C)N[C@@H](C(=O)O)c1ccccc1Cl 940eb4b4b3e70212d6608ba9ec4bdd29 [0,2,0,0,0,0|1,0,1]=4 572 B15R1.349 CC(C)N[C@@H](C(=O)O)c1ccccc1F 53d096fae44c6e27eb8075d43ad73f32 [0,2,0,0,0,0|1,0,1]=4 573 B15R1.349 CC(C)N[C@H](C(=O)O)c1ccccc1Cl 1e9255f3d3f1838090b2867d6c56a97b [0,2,0,0,0,0|1,0,1]=4 574 B15R1.349 CC(C)N[C@H](C(=O)O)c1ccccc1F 5415e2754ac62cfb12d9ce0428918482 [0,2,0,0,0,0|1,0,1]=4 575 B15R1.349 CC(C)OC(C(=O)O)c1ccccc1Cl d6ade1bbcbeb36f79fc0d21131a48a39 [0,2,0,0,0,0|1,0,1]=4 576 B15R1.349 CC(C)OC(C(=O)O)c1ccccc1F f0eeb90a87dcac25dab09fc630317a68 [0,2,0,0,0,0|1,0,1]=4 577 B15R1.349 CC(C)O[C@@H](C(=O)O)c1ccccc1Cl c99a81972333c72c56595457e118a879 [0,2,0,0,0,0|1,0,1]=4 578 B15R1.349 CC(C)O[C@@H](C(=O)O)c1ccccc1F b97872801302cefcf5d53333d5629f3f [0,2,0,0,0,0|1,0,1]=4 579 B15R1.349 CC(C)O[C@H](C(=O)O)c1ccccc1Cl 68847c8185268c84bbe8bf480a3e22ac [0,2,0,0,0,0|1,0,1]=4 580 B15R1.349 Cc1ccccc1C(NC(C)C)C(=O)O e356080455d11304ae411d47348ccc39 [0,2,0,0,0,0|1,0,1]=4 581 B15R1.349 Cc1ccccc1C(OC(C)C)C(=O)O 1b8b8788d7260e37bc49b6c52899035d [0,2,0,0,0,0|1,0,1]=4 582 B15R1.1116 CC(C)CN(C=O)c1ccccc1C#N 062774387c21043a258281357f939c2a [0,2,0,0,0,0|1,0,1]=4 583 B13R2.1 CCNc1c[nH]c2c1cccc2 4920bd96e85cfd1292a4b6790abfcbf3 [1,0,0,1,0,0|2,0,0]=4 584 B13R2.1 CCNc1csc2c1cccc2 6dd41b9f0a78472cc182ab65508da2ad [1,0,0,1,0,0|1,1,0]=4 585 B13R2.1 CCOc1c[nH]c2c1cccc2 0854f2bc586a3a00282d60e462292aa5 [1,0,0,1,0,0|2,0,0]=4 586 B13R2.1 CCOc1coc2c1cccc2 60e06b3be66452591e08d10f7c2531c3 [1,0,0,1,0,0|1,0,1]=4 587 B13R2.1 CCOc1csc2c1cccc2 0531aa4e79aafb0c2ad76af3c74634cc [1,0,0,1,0,0|1,1,0]=4 588 B13R2.10 Cc1cc(c[nH]1)c2ccccc2 3f3e7bdaff1ee9796c664f15107c31bb [1,0,0,1,0,0|1,0,1]=4 589 B13R2.10 Cc1cc(cs1)c2ccccc2 cb644a43544e7da075abe876c7fb3b0f [1,0,0,1,0,0|0,1,1]=4 590 B13R2.10 Cn1cc(cn1)c2ccccc2 620d2f627362b9033388f9cd66687004 [1,0,0,1,0,0|2,0,0]=4 591 B13R2.10 Cn1ccc(c1)c2ccccc2 6a1e203c932d2ee75ebaf29b63159997 [1,0,0,1,0,0|2,0,0]=4 592 B13R2.679 O=CN(c1ccccc1)C2CC2 81b6af8097ab536c3536f8b87f7c6f2c [1,0,0,1,0,0|1,0,1]=4 593 B13R2.1613 O=CN1CCCc2c1cccc2 8a6b241bb1074e16f684d48b4c866556 [1,0,0,1,0,0|1,0,1]=4 594 B13R2.2931 CC1CN(c2c1cccc2)C=O dfb8932ee8f3a1a4a9640492a7c18b8d [1,0,0,1,0,0|1,0,1]=4 595 B13R2.690 O=C(NC1CC1)c2ccccc2 e920cb3f12c2a1e3b34200476897d963 [1,0,0,1,0,0|1,0,0]=3 596 B13R2.690 O=C(NC1CC1)c2ccccn2 7f3142d679d5543e4f0a7f7b6ef7dbf6 [1,0,0,1,0,0|2,0,0]=4 597 B13R2.690 O=C(NC1CC1)c2cccnc2 c9a6138ae7fe582c8f2f33a809ee12e5 [1,0,0,1,0,0|2,0,0]=4 598 B13R2.690 O=C(NC1CC1)c2ccncc2 47c47297bc6b1db5e682911d93aa5abc [1,0,0,1,0,0|2,0,0]=4 599 B13R2.135 CC1Cc2ccccc2N1C=O e3f31cc4186aca572ed84f309636ae60 [0,0,0,1,1,0|1,0,0]=3 600 B13R2.135 CC1Cc2cccnc2N1C=O 724b5f09daedbc52dfbd9a656f684ea1 [0,0,0,1,1,0|2,0,0]=4 601 B13R2.135 C[C@@H]1Cc2ccccc2N1C=O 04d4df9798a33f18f6a8089a14b80514 [0,0,0,1,1,0|1,0,0]=3 602 B13R2.135 C[C@H]1Cc2ccccc2N1C=O c3e1c2b118f860f8da6923386315dea7 [0,0,0,1,1,0|1,0,0]=3 603 B15R2.6 CC(C)CNc1c[nH]c2c1cccc2 23ea715978096214c69b473010965a6c [0,0,0,1,0,1|1,0,1]=4 604 B15R2.6 CC(C)CNc1csc2c1cccc2 f0272ffa4eb018584c7440d5071a6ec9 [0,0,0,1,0,1|0,1,1]=4 605 B15R2.6 CC(C)COc1c[nH]c2c1cccc2 c5c8ea82c91e2fefc40220743871db61 [0,0,0,1,0,1|1,0,1]=4 606 B15R2.6 CC(C)COc1coc2c1cccc2 b5985c8db505b1aa915c6eb654ac74c7 [0,0,0,1,0,1|0,0,2]=4 607 B15R2.6 CC(C)COc1csc2c1cccc2 27fef6a3946461f432e1ea6cbcdabe14 [0,0,0,1,0,1|0,1,1]=4 608 B15R2.6 CC(C)NCc1c[nH]c2c1cccc2 2e8eda49a0757eaff6f6d355f78bf0bc [0,0,0,1,0,1|1,0,1]=4 609 B15R2.6 CC(C)NCc1coc2c1cccc2 71213e345c6ad02d95bf61d82395eb84 [0,0,0,1,0,1|0,0,2]=4 610 B15R2.6 CC(C)NCc1csc2c1cccc2 efb3e045849f132c0e09dedd745d2326 [0,0,0,1,0,1|0,1,1]=4 611 B15R2.6 CC(C)OCc1c[nH]c2c1cccc2 4c7e0b2b0e8c292d7f90c2f492a27757 [0,0,0,1,0,1|1,0,1]=4 612 B15R2.6 CC(C)OCc1coc2c1cccc2 d57a2e19eb2ee8bf52d454f860de6820 [0,0,0,1,0,1|0,0,2]=4 613 B15R2.6 CC(C)OCc1csc2c1cccc2 08d5f0517bb1053487544e85a199ca69 [0,0,0,1,0,1|0,1,1]=4 614 B15R2.59 CC(C)c1cc([nH]n1)c2ccccc2 6dd73300fe9195f603385f108f2f5f05 [0,0,0,1,0,1|2,0,0]=4 615 B15R2.59 CC(C)c1ccc(s1)c2ccccc2 124ff7eff096e2c1fb21a0259b1afd45 [0,0,0,1,0,1|1,0,0]=3 616 B15R2.59 CC(C)c1ccc(s1)c2ccccn2 d8ddddeaa0ab39f29f4ad4dc0a6dca86 [0,0,0,1,0,1|2,0,0]=4 617 B15R2.59 CC(C)c1ccc(s1)c2cccnc2 5f246c718b7d50ebb64efb444c5a9d66 [0,0,0,1,0,1|2,0,0]=4 618 B15R2.59 CC(C)c1ccc(s1)c2ccncc2 888098babf7bf3d7a4b00490667717cf [0,0,0,1,0,1|2,0,0]=4 619 B15R2.59 CC(C)c1cnc(s1)c2ccccc2 8fd3c982ece989359d741e92ead6137c [0,0,0,1,0,1|2,0,0]=4 620 B15R2.59 CC(C)c1coc(n1)c2ccccc2 d8b6b012d41464de58731c52875637e9 [0,0,0,1,0,1|2,0,0]=4 621 B15R2.59 CC(C)c1csc(c1)c2ccccc2 2b30bc4dc9f9b08732e3f85e047ef714 [0,0,0,1,0,1|2,0,0]=4 622 B15R2.59 CC(C)c1csc(n1)c2ccccc2 f8015d1dfddcabec574a91b8b5adc4ce [0,0,0,1,0,1|2,0,0]=4 623 B15R2.59 CC(C)c1nc(c[nH]1)c2ccccc2 e2d47ee6250131ae606c7caff8295dbe [0,0,0,1,0,1|1,0,0]=3 624 B15R2.59 CC(C)c1nc(c[nH]1)c2ccccn2 109acfebd9548633bed63c398bd25281 [0,0,0,1,0,1|2,0,0]=4 625 B15R2.59 CC(C)c1nc(c[nH]1)c2cccnc2 01c2e2392b9ae6ee044da93ea620caf9 [0,0,0,1,0,1|2,0,0]=4 626 B15R2.59 CC(C)c1nc(c[nH]1)c2ccncc2 d66b5de66015753df5f0e12c2b3602eb [0,0,0,1,0,1|2,0,0]=4 627 B15R2.59 CC(C)c1nc(co1)c2ccccc2 d783a00127fc81c7b4e07d47661ac23f [0,0,0,1,0,1|0,0,1]=3 628 B15R2.59 CC(C)c1nc(co1)c2ccccn2 c9b0138d6a0faf47e3ccf7518aaaaeae [0,0,0,1,0,1|1,0,1]=4 629 B15R2.59 CC(C)c1nc(co1)c2cccnc2 10d48ff98cec1461813fe441f71a0a4f [0,0,0,1,0,1|1,0,1]=4 630 B15R2.59 CC(C)c1nc(co1)c2ccncc2 55842bbdbfcfb19e9d6e2fd4275f1067 [0,0,0,1,0,1|1,0,1]=4 631 B15R2.59 CC(C)c1nc(cs1)c2ccccc2 120fd863227f31c928128b0ad177a8e3 [0,0,0,1,0,1|0,1,0]=3 632 B15R2.59 CC(C)c1nc(cs1)c2ccccn2 d51f210d28a9f64f634d1b68b4c796f1 [0,0,0,1,0,1|1,1,0]=4 633 B15R2.59 CC(C)c1nc(cs1)c2cccnc2 010fca9b77583b683afb488f2944d8ba [0,0,0,1,0,1|1,1,0]=4 634 B15R2.59 CC(C)c1nc(cs1)c2ccncc2 d2ae93ae3ca87b0ea811002db7efed9d [0,0,0,1,0,1|1,1,0]=4 635 B15R2.59 CC(C)c1nc(n[nH]1)c2ccccc2 59f399e99ecd36cdc504d7088b6db686 [0,0,0,1,0,1|2,0,0]=4 636 B15R2.59 CC(C)c1nc(no1)c2ccccc2 2332151d9b375b0e6ce23114e945385f [0,0,0,1,0,1|1,0,1]=4 637 B15R2.59 CC(C)c1ncc(o1)c2ccccc2 7d739c5441569b4b354e00a3a256a67a [0,0,0,1,0,1|1,0,0]=3 638 B15R2.59 CC(C)c1ncc(o1)c2ccccn2 d142dbebe6095b5f06adc239a8d73ec2 [0,0,0,1,0,1|2,0,0]=4 639 B15R2.59 CC(C)c1ncc(o1)c2cccnc2 94684b80238bf4d0b5d533b61fa1a763 [0,0,0,1,0,1|2,0,0]=4 640 B15R2.59 CC(C)c1ncc(o1)c2ccncc2 289252bdb3179384289d12dc750f73b2 [0,0,0,1,0,1|2,0,0]=4 641 B15R2.59 CC(C)c1ncc(s1)c2ccccc2 a97909650526bdbf285d382f85231e29 [0,0,0,1,0,1|1,0,0]=3 642 B15R2.59 CC(C)c1ncc(s1)c2ccccn2 3eb755c21633c26df962579f3d405367 [0,0,0,1,0,1|2,0,0]=4 643 B15R2.59 CC(C)c1ncc(s1)c2cccnc2 1505857637021c9ffa8a590047e6c284 [0,0,0,1,0,1|2,0,0]=4 644 B15R2.59 CC(C)c1ncc(s1)c2ccncc2 5a0f629321d2c81a9e82512bc4146986 [0,0,0,1,0,1|2,0,0]=4 645 B15R2.59 CC(C)c1nnc(o1)c2ccccc2 a96258ac82315772bd3a87eb4fb11320 [0,0,0,1,0,1|2,0,0]=4 646 B15R2.59 CC(C)c1nnc(s1)c2ccccc2 d9f45eae66810daca056570dd3779b27 [0,0,0,1,0,1|2,0,0]=4 647 B15R2.59 CC(C)c1noc(n1)c2ccccc2 404282ec2d61fdce85dd875d15b91548 [0,0,0,1,0,1|2,0,0]=4 648 B15R2.59 CC(C)c1nsc(n1)c2ccccc2 510de28d76ad34c31c0abd7dacbb8044 [0,0,0,1,0,1|2,0,0]=4 649 B15R2.59 CC(C)n1cc(cn1)c2ccccc2 1c23c7fe3393f04bd25dec26fd814302 [0,0,0,1,0,1|1,0,0]=3 650 B15R2.59 CC(C)n1cc(cn1)c2ccccn2 202075f8b7cea8583940feaf60e3da3f [0,0,0,1,0,1|2,0,0]=4 651 B15R2.59 CC(C)n1cc(cn1)c2cccnc2 337f31e538e8b208c9cd24ec479c6320 [0,0,0,1,0,1|2,0,0]=4 652 B15R2.59 CC(C)n1cc(cn1)c2ccncc2 a12420ff3ecae737f8de4a6822016fd1 [0,0,0,1,0,1|2,0,0]=4 653 B15R2.59 CC(C)n1cc(nn1)c2ccccc2 43a2a1d07da65297d19f57a787fd6953 [0,0,0,1,0,1|2,0,0]=4 654 B15R2.59 CC(C)n1ccc(c1)c2ccccc2 7d79d73fa346ac15bca0787477512c67 [0,0,0,1,0,1|1,0,0]=3 655 B15R2.59 CC(C)n1ccc(c1)c2ccccn2 6f39202e0aa731eae7abf05cf28837d1 [0,0,0,1,0,1|2,0,0]=4 656 B15R2.59 CC(C)n1ccc(c1)c2cccnc2 e760939823207b568d2a82fa9d9d3c32 [0,0,0,1,0,1|2,0,0]=4 657 B15R2.59 CC(C)n1ccc(c1)c2ccncc2 e1cc42a30d8b1a254566ea1a5fb15a57 [0,0,0,1,0,1|2,0,0]=4 658 B15R2.59 CC(C)n1ccc(n1)c2ccccc2 f873010a2fae87ff794899c0ff90d983 [0,0,0,1,0,1|2,0,0]=4 659 B15R2.59 CC(C)n1cnc(c1)c2ccccc2 997ed8a7b683b8b10d2abafd7316358c [0,0,0,1,0,1|2,0,0]=4 660 B15R2.59 CC(C)n1ncc(n1)c2ccccc2 abceaae79c172032fbcbc8ccded6e8d8 [0,0,0,1,0,1|2,0,0]=4 661 B15R2.59 CC(N)c1ccc(s1)c2ccccc2 206c6335b644b6eb431a1d5ee980222e [0,0,0,1,0,1|2,0,0]=4 662 B15R2.59 CC(N)c1nc(cs1)c2ccccc2 9d8dc9e4ae834fa22ac5f023a7f4c31c [0,0,0,1,0,1|1,1,0]=4 663 B15R2.59 CC(O)c1cc(cs1)c2ccccc2 33d51c548aec2d705141387af4ef6207 [0,0,0,1,0,1|1,1,0]=4 664 B15R2.59 CC(O)c1ccc(s1)c2ccccc2 d81f959b5096c9769034c3342f15fe49 [0,0,0,1,0,1|2,0,0]=4 665 B15R2.59 CC(O)c1nc(cs1)c2ccccc2 76eddf081aef40152bc55e1edf08d9b6 [0,0,0,1,0,1|1,1,0]=4 666 B15R2.59 CN(C)c1nc(cs1)c2ccccc2 24726eabbf4132043580fcb20883637d [0,0,0,1,0,1|1,1,0]=4 667 B15R2.59 CN(C)c1ncc(s1)c2ccccc2 f4832f54ac91ed05610e3385050f6503 [0,0,0,1,0,1|2,0,0]=4 668 B15R2.59 C[C@@H](N)c1cc(cs1)c2ccccc2 a5fa2ea8f1a3d23514eda9ced1c8dd2e [0,0,0,1,0,1|1,1,0]=4 669 B15R2.59 C[C@@H](N)c1ccc(s1)c2ccccc2 3d2467e422d0baa101ac0e1e52882131 [0,0,0,1,0,1|2,0,0]=4 670 B15R2.59 C[C@@H](O)c1cc(cs1)c2ccccc2 74f65d9fbc698d8be9c54cd8a4ceb245 [0,0,0,1,0,1|1,1,0]=4 671 B15R2.59 C[C@@H](O)c1ccc(s1)c2ccccc2 b5c452699312fa864902f3a380362434 [0,0,0,1,0,1|2,0,0]=4 672 B15R2.59 C[C@H](N)c1cc(cs1)c2ccccc2 7b0216b0e4d0e7fd2b3bae04f0519d2b [0,0,0,1,0,1|1,1,0]=4 673 B15R2.59 C[C@H](N)c1ncc(s1)c2ccccc2 9e9d9e3b997032e8934cfa42cb92c622 [0,0,0,1,0,1|2,0,0]=4 674 B15R2.59 C[C@H](O)c1cc(cs1)c2ccccc2 0aa6fdd44f18962fd89904ceb5301433 [0,0,0,1,0,1|1,1,0]=4 675 B15R2.1327 N#CC(=COC1CC1)c2ccccc2 e465c2645d6aca1b680802899b293d2a [0,0,0,1,0,1|1,0,1]=4 676 B15R2.1327 O=C/C(=C\OC1CC1)/c2ccccc2 ab32d47a480548c6b934a427a6bbad74 [0,0,0,1,0,1|0,0,0]=2 677 B15R2.1327 O=C/C(=C\OC1CC1)/c2ccccn2 c26412d17ed80e90c9f0ba29afd58b3e [0,0,0,1,0,1|1,0,0]=3 678 B15R2.1327 O=C/C(=C\OC1CC1)/c2ccncc2 8d92252c7f9985e1c4e9075d6373ff95 [0,0,0,1,0,1|1,0,0]=3 679 B15R2.1327 O=C/C(=C\OC1CC1)/c2ccncn2 de05f477ab95b8d444e967bf86c7af9d [0,0,0,1,0,1|2,0,0]=4 680 B15R2.1327 O=C/C(=C\OC1CC1)/c2cnccn2 42d3d5f370e12430bf3ee8952af300f4 [0,0,0,1,0,1|2,0,0]=4 681 B15R2.1327 O=CC(NCC1CC1)c2ccccc2 6764ac73a481c32e445d9cec39126671 [0,0,0,1,0,1|0,0,2]=4 682 B15R2.3816 CC1CC1NC(C=O)c2ccccc2 38a3ab486888262dd90ce11e0997f4ed [0,0,0,1,0,1|0,0,2]=4 683 B15R2.3829 CC1(CN1C(C=O)c2ccccc2)C a75b6d64e03c7a30f832e24467423cba [0,0,0,1,0,1|0,0,2]=4 684 B15R2.39201 CC(C)C1CN(c2c1cccc2)C=O 33bf862732e7d2996474e7a962193b24 [0,0,0,1,0,1|1,0,1]=4 685 B15R2.16 Cc1cc(n(c1)c2ccccc2)C=O 9cf120a4b9039aa2135af89577f1448d [0,0,0,1,0,1|0,0,2]=4 686 B15R2.16 Cn1cc(c(n1)c2ccccc2)C=O 4c59352c790999b9cb39cd6dd692b4fd [0,0,0,1,0,1|2,0,0]=4 687 B15R2.1668 CC(C)Nc1ccc2ccccc2c1 b9a50868688482d46b25e906f6cfa825 [0,0,0,1,0,1|2,0,0]=4 688 B15R2.1668 CC(C)Nc1ccc2ccccc2n1 2e023759672871feeb23fb08aa628ad7 [0,0,0,1,0,1|2,0,0]=4 689 B15R2.1668 CC(C)Nc1cnc2ccccc2c1 8f9ebd8f433c548fadaad6f7d276d808 [0,0,0,1,0,1|2,0,0]=4 690 B15R2.1668 CC(C)Nc1cnc2ccccc2n1 3ea167cac050ee150f15ba173ab425ec [0,0,0,1,0,1|2,0,0]=4 691 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 dece40b0fe1299d5abb5708d75268ced [0,0,0,1,0,1|2,0,0]=4 692 B15R2.1668 CC(C)Oc1ccc2ccccc2n1 6d313eef2064c888fbd210a75324f0c6 [0,0,0,1,0,1|2,0,0]=4 693 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 7816f76e241c81b0462c7b23e8cb3398 [0,0,0,1,0,1|2,0,0]=4 694 B15R2.1668 CC(C)Oc1cnc2ccccc2n1 d258d0bfb08fc41f544a5c4ab82d3a3b [0,0,0,1,0,1|2,0,0]=4 695 B15R2.17047 O=CC(Cc1ccccc1)NC2CC2 d25d717bd49d111eb9481d3cc8aa8922 [0,0,0,1,0,1|1,0,1]=4 696 B15R2.17047 O=CC(Cc1ccccc1)OC2CC2 899756562d4a55a8396306485c5c9df5 [0,0,0,1,0,1|1,0,1]=4 697 B15R2.17047 O=CN(Cc1ccccc1)CC2CC2 42ffef52758e206c67eeafbded042cda [0,0,0,1,0,1|1,0,1]=4 698 B15R2.27 Cc1cc(cc(=O)o1)c2ccccc2 6676fa46032b0faf46453aa4e5c89da4 [0,1,0,1,0,0|1,0,1]=4 699 B15R2.63 CC(C)c1[nH]ncc1c2ccccc2 945a73b921491dff445fa2fde70042bd [0,1,0,1,0,0|1,0,0]=3 700 B15R2.63 CC(C)c1[nH]ncc1c2cccnc2 e6e2c589759d18012e2b920cab68e024 [0,1,0,1,0,0|2,0,0]=4 701 B15R2.63 CC(C)c1[nH]ncc1c2ccncc2 ccb625967e65421313884b83c589a169 [0,1,0,1,0,0|2,0,0]=4 702 B15R2.63 CC(C)c1cscc1c2ccccc2 2767dc2f8703b5020c5f40d343ffb5e7 [0,1,0,1,0,0|0,1,0]=3 703 B15R2.63 CC(C)c1cscc1c2ccccn2 734c82c736942493f2eefe5c73f39c4c [0,1,0,1,0,0|1,1,0]=4 704 B15R2.63 CC(C)c1cscc1c2cccnc2 7036b6cbf25f51c26bb8b0fef5867354 [0,1,0,1,0,0|1,1,0]=4 705 B15R2.63 CC(C)c1cscc1c2ccncc2 c29bd2a49532e22e65a8fb06235f538a [0,1,0,1,0,0|1,1,0]=4 706 B15R2.63 CC(C)c1n[nH]cc1c2ccccn2 b8f99e471a7877027ae2ebf9b2514ba1 [0,1,0,1,0,0|2,0,0]=4 707 B15R2.63 CC(C)c1ncoc1c2ccccc2 4415ab4065fcae4c3d3b067d3139a88c [0,1,0,1,0,0|1,0,0]=3 708 B15R2.63 CC(C)c1ncoc1c2ccccn2 7966b7a7d9ac0b8acec291887111555a [0,1,0,1,0,0|2,0,0]=4 709 B15R2.63 CC(C)c1ncoc1c2cccnc2 e2f0c80f5e90fcf07e4c1611ee8444c2 [0,1,0,1,0,0|2,0,0]=4 710 B15R2.63 CC(C)c1ncoc1c2ccncc2 c97a78d4c5644fe76f29150c761af7c0 [0,1,0,1,0,0|2,0,0]=4 711 B15R2.63 CC(C)c1ncsc1c2ccccc2 51c0d323ce8f2d23a3c391f1843b01b4 [0,1,0,1,0,0|1,0,0]=3 712 B15R2.63 CC(C)c1ncsc1c2ccccn2 e841401d2d44cb903dbf0b540343fc03 [0,1,0,1,0,0|2,0,0]=4 713 B15R2.63 CC(C)c1ncsc1c2cccnc2 83bce52176fa2ee45bf15c42d4e0bca8 [0,1,0,1,0,0|2,0,0]=4 714 B15R2.63 CC(C)c1ncsc1c2ccncc2 88cf7eb2e769a08a3d2664d6272e3dbb [0,1,0,1,0,0|2,0,0]=4 715 B15R2.63 CC(C)n1ccnc1c2ccccc2 b4e5563acf9ab7ca9cbf5c6cdf4861e4 [0,1,0,1,0,0|2,0,0]=4 716 B15R2.63 CC(C)n1cncc1c2ccccc2 a9a6bbc5dc915a2484ea99b420bb8047 [0,1,0,1,0,0|2,0,0]=4 717 B15R2.63 CC(C)n1nccc1c2ccccc2 c1ef46861082ff02556a265ae131c213 [0,1,0,1,0,0|2,0,0]=4 718 B15R2.63 CC(C)n1ncnc1c2ccccc2 34aacf06a0ce4f44b0d89b33fcf87e18 [0,1,0,1,0,0|2,0,0]=4 719 B15R2.63 CC(C)n1nncc1c2ccccc2 03d661e258c9bc9f34808bdc934414d5 [0,1,0,1,0,0|2,0,0]=4 720 B15R2.63 CC(O)c1occc1c2ccccc2 5f62e5685420c2ab385769da3ff59f33 [0,1,0,1,0,0|1,0,1]=4 721 B15R2.4392 CC1Cc2ccccc2N(C1)CC=O 83ca084449cd0d511eb21332b60fcb50 [0,1,0,1,0,0|1,0,1]=4 722 B15R2.53147 CC(C)NC1NC(=O)c2c1cccc2 8943cfa2e0e4efcf649d66b05efb2412 [0,1,0,1,0,0|1,0,1]=4 723 B15R2.53147 CC(C)OC1CC(=O)c2c1cccc2 90e3be579f434518e4524af509e7bd7f [0,1,0,1,0,0|1,0,1]=4 724 B15R2.53147 CC(C)OC1OC(=O)c2c1cccc2 03d6c49eb4735d2216a4ce108ea51008 [0,1,0,1,0,0|1,0,1]=4 725 B15R2.56234 CC1(CN(c2c1cccc2)CC=O)C 5bbf3678d30f463d4e4e5ff4906cd0d9 [0,1,0,1,0,0|1,0,1]=4 726 B15R2.68122 CC(C)Nc1ccnc2c1cccc2 58d62e95af01688de4483b8801380816 [0,1,0,1,0,0|2,0,0]=4 727 B15R2.68122 CC(C)Nc1cncc2c1cccc2 77b20cb3e9c4f26a378df9d3ce823127 [0,1,0,1,0,0|2,0,0]=4 728 B15R2.68122 CC(C)Nc1cnnc2c1cccc2 4ae20b92e4f67056baf22ffbde34a894 [0,1,0,1,0,0|2,0,0]=4 729 B15R2.68122 CC(C)Nc1nccc2c1cccc2 4cfd40c2cdcba2332732bd2da0041340 [0,1,0,1,0,0|2,0,0]=4 730 B15R2.68122 CC(C)Nc1ncnc2c1cccc2 45908501be4f54078e0d689c84604e98 [0,1,0,1,0,0|2,0,0]=4 731 B15R2.68122 CC(C)Oc1cccc2c1cccc2 57b724cd373860bcb23c5b6d358e59da [0,1,0,1,0,0|2,0,0]=4 732 B15R2.68122 CC(C)Oc1ccnc2c1cccc2 064b8079818a119523d9c80caee95767 [0,1,0,1,0,0|2,0,0]=4 733 B15R2.68122 CC(C)Oc1cncc2c1cccc2 38bdaeb2bbf1615afae2a94cc97a2ca2 [0,1,0,1,0,0|2,0,0]=4 734 B15R2.68122 CC(C)Oc1cnnc2c1cccc2 6e53902e885e41168da1aae55614f989 [0,1,0,1,0,0|2,0,0]=4 735 B15R2.68122 CC(C)Oc1nccc2c1cccc2 5f8d67185a284efa0426f226181a0432 [0,1,0,1,0,0|2,0,0]=4 736 B15R2.68122 CC(C)Oc1ncnc2c1cccc2 61e265bd59ff5dbca7328060a494ba12 [0,1,0,1,0,0|2,0,0]=4 737 B15R2.17049 CC1(CC1)NC(C=O)c2ccccc2 72aed6cb279462fd94bcc9ac2fe74e34 [0,1,0,1,0,0|1,0,1]=4 738 B15R2.89951 CC1(CN(c2ccccc2O1)C=O)C 606619c0c2986115476aff2da961562a [0,1,0,1,0,0|1,0,1]=4 739 B15R2.89951 CC1(CN(c2ccccc2S1)C=O)C 0800616e12e136c9f7a650ffdf1e0178 [0,1,0,1,0,0|1,0,1]=4 740 B15R2.377 CC(C)Nc1c[nH]c2c1ccc(c2)Br df58f4a7f74282397dc8ac2cd67d2a27 [0,1,0,1,0,0|2,0,0]=4 741 B15R2.2177 O=CN(CC1CC1)c2ccc(cc2)Cl 8d2ce730269613594f0dd7fd4733886a [0,1,0,1,0,0|1,0,1]=4 742 B15R2.2177 O=CN(CC1CC1)c2ccc(cc2)F fa18f0150f0fc078e7094fca8317c3f7 [0,1,0,1,0,0|1,0,1]=4 743 B15R2.39202 CC1(CN(c2c1cc(cc2)F)C=O)C 8382bba980172ab639df00b60187dccb [0,1,0,1,0,0|1,0,1]=4 744 B15R2.2171 O=CN(CC1CC1)c2cccc(c2)Cl 19bbe399f1d4239077fadf5dd2a5584b [0,1,0,1,0,0|1,0,1]=4 745 B15R2.9410 CC(C)Nc1c[nH]c2c1cc(cc2)Br a7843edc65fd36f3b499f3b80d8c6e73 [0,1,0,1,0,0|2,0,0]=4 746 B15R2.27423 CC1(CN(c2c1c(ccc2)Br)C=O)C 9fbbccaed650f809e2e78cd3c6c8d140 [0,1,0,1,0,0|1,0,1]=4 747 B15R2.27423 CC1(CN(c2c1c(ccc2)F)C=O)C c97f28e58b56424caeac9958d570e7d0 [0,1,0,1,0,0|1,0,1]=4 748 B15R2.106949 CC1(CN(c2c1ccc(c2)Br)C=O)C 76069eb6071dcccefdef3220aac4e309 [0,1,0,1,0,0|1,0,1]=4 749 B15R2.106949 CC1(CN(c2c1ccc(c2)F)C=O)C 6155ca7e0908800eaf29e651d46124c8 [0,1,0,1,0,0|1,0,1]=4 750 B15R2.3870 CN(C1CC1)C(C=O)c2ccccc2 15a9c3c78722ac40f544272b430060c9 [0,1,0,1,0,0|1,0,1]=4 751 B15R2.4 CC(CO)Nc1c[nH]c2c1cccc2 4874413b534a51a30a52837e1262d2d4 [0,1,0,1,0,0|2,0,0]=4 752 B15R2.4 CC(CO)Nc1csc2c1cccc2 9aafab55b004e8dc35243b221a017a05 [0,1,0,1,0,0|1,1,0]=4 753 B15R2.4 CCC(C)Nc1c[nH]c2c1cccc2 1e24072de55cbbfd5c1ceac8c0e300cb [0,1,0,1,0,0|2,0,0]=4 754 B15R2.4 CCC(C)Nc1csc2c1cccc2 bbfcd45ea2dd836503aab553e413e91f [0,1,0,1,0,0|1,1,0]=4 755 B15R2.4 CCC(C)Oc1c[nH]c2c1cccc2 69b0a627c15c90cd8a863d6f49096f61 [0,1,0,1,0,0|2,0,0]=4 756 B15R2.4 CCC(C)Oc1coc2c1cccc2 ecdb0a9b56d1dcdfafa0c80785793ac7 [0,1,0,1,0,0|1,0,1]=4 757 B15R2.4 CCC(C)Oc1csc2c1cccc2 e3570bb7014bce5ebddd4d1e334b732b [0,1,0,1,0,0|1,1,0]=4 758 B15R2.4 C[C@@H](CO)Nc1c[nH]c2c1cccc2 9675e0f9af8bf9da07379db5316f0dfb [0,1,0,1,0,0|2,0,0]=4 759 B15R2.4 C[C@@H](CO)Nc1csc2c1cccc2 3e525d5e3aad498fa9d0cca691c95d89 [0,1,0,1,0,0|1,1,0]=4 760 B15R2.4 C[C@H](CO)Nc1c[nH]c2c1cccc2 7faf65db8f9689497de74d8a86b69053 [0,1,0,1,0,0|2,0,0]=4 761 B15R2.4 C[C@H](CO)Nc1csc2c1cccc2 683d4b0cc33ccec7ac0ab317feda8644 [0,1,0,1,0,0|1,1,0]=4 762 B15R2.33 Cc1cc(c(=O)[nH]n1)c2ccccc2 64e3a1291f721045ff4e04095dd2535b [0,1,0,1,0,0|1,0,1]=4 763 B15R2.33 Cn1ccc(=O)c(c1)c2ccccc2 61830d92b49f80d480cdd11cab1c0b51 [0,1,0,1,0,0|1,0,1]=4 764 B15R2.94 Cc1cc(cnc1C)c2ccccc2 20938884a1da1d9040416fadbd0db006 [0,1,0,1,0,0|1,0,1]=4 765 B15R2.94 Cc1ccc(cc1C)c2ccccc2 4e2c5458d0a7b8a52034ca0886457d5f [0,1,0,1,0,0|1,0,1]=4 766 B15R2.321 Cc1cc(c(n1C)C)c2ccccc2 33a68091acaf7a8ea85211473f28c2b4 [0,1,0,1,0,0|1,0,1]=4 767 B15R2.1331 O=CC(NC1CCC1)c2ccccc2 c81423eda388fa91c11e48734264257c [0,1,0,1,0,0|1,0,1]=4 768 B15R2.1331 O=CC(NC1COC1)c2ccccc2 f81288cacefa89b03eb9572b42ee8acd [0,1,0,1,0,0|1,0,1]=4 769 B15R2.1331 O=CC(OC1CCC1)c2ccccc2 7ea4ea1dc4f8650a53a4a043d568bad7 [0,1,0,1,0,0|1,0,1]=4 770 B15R2.1331 O=CC(OC1COC1)c2ccccc2 ef60e7c7068efb2439a5224e5bfc1cd2 [0,1,0,1,0,0|1,0,1]=4 771 B15R2.1331 O=CC(OC1CSC1)c2ccccc2 69f25ceeeab8893eb0389739bad710d5 [0,1,0,1,0,0|1,0,1]=4 772 B15R2.1851 O=CN1CC(Cc2c1cccc2)CO c93ba3f99a604e01ba7e580db1eea114 [0,1,0,1,0,0|1,0,1]=4 773 B15R2.4889 CC(C=O)(OC1CC1)c2ccccc2 9267fdd13d5ef2ad34ac77fe7f86fe5d [0,1,0,1,0,0|1,0,1]=4 774 B15R2.988 CC(=O)N1CC(Cc2c1cccc2)C 692ead45764e13dd652f7fa7171a5775 [0,1,0,1,0,0|1,0,1]=4 775 B15R2.993 CC(C)NC1C(=O)Nc2c1cccc2 eb71f7e7f471f5f979ef2f163197253c [0,1,0,1,0,0|1,0,1]=4 776 B15R2.16426 CC(=O)C(NC1CC1)c2ccccc2 081d79186e77141c1272153bd65fe6ea [0,1,0,1,0,0|1,0,1]=4 777 B15R2.16426 NC(=O)C(NC1CC1)c2ccccc2 dfdd430e195e79d3b1795af35696632c [0,1,0,1,0,0|1,0,1]=4 778 B15R2.16426 NC(=O)[C@@H](NC1CC1)c2ccccc2 4990b9c141c0f812845fc61827d7beab [0,1,0,1,0,0|1,0,1]=4 779 B15R2.16426 NC(=O)[C@H](NC1CC1)c2ccccc2 de0844f288b367fd6ead6aa063b66605 [0,1,0,1,0,0|1,0,1]=4 780 B15R2.16426 O=C(O)C(NC1CC1)c2ccccc2 6bb595541b0406fdd7220e668ca39e46 [0,1,0,1,0,0|1,0,1]=4 781 B15R2.16426 O=C(O)C(OC1CC1)c2ccccc2 843536dacc3ba80cd9573f4821b00e34 [0,1,0,1,0,0|1,0,1]=4 782 B15R2.16426 O=C(O)[C@@H](NC1CC1)c2ccccc2 2c06f7e3877c21806e919f5c1ca1bf9e [0,1,0,1,0,0|1,0,1]=4 783 B15R2.16426 O=C(O)[C@@H](OC1CC1)c2ccccc2 30e1228879cadc284e66ff982899fdaf [0,1,0,1,0,0|1,0,1]=4 784 B15R2.16426 O=C(O)[C@H](NC1CC1)c2ccccc2 e427a44da1137df7f938029d57ca934d [0,1,0,1,0,0|1,0,1]=4 785 B15R2.16426 O=C(O)[C@H](OC1CC1)c2ccccc2 39711a521ce7e0db9c95969ce8f6afb5 [0,1,0,1,0,0|1,0,1]=4 786 B15R2.160873 CC(=O)N1CC(c2c1cccc2)(C)C e17e26f4ae3fbcc60934741481e24d6e [0,1,0,1,0,0|1,0,1]=4 787 B15R2.3820 O=CN(CC1CC1)c2ccccc2Br 3d9b34cb5c0855f3715a5c4d82ad9f4b [0,1,0,1,0,0|1,0,1]=4 788 B15R3.1737 c1ccc2c(c[nH]c2c1)OC3CC3 59fcee208c2ec882e9f8b48ab1188845 [0,0,0,2,0,0|2,0,0]=4 789 B15R3.1737 c1ccc2c(coc2c1)OC3CC3 2b4a694e5279f211255e6be647c5934c [0,0,0,2,0,0|1,0,1]=4 790 B15R3.21691 O=CN1CC2CC2c3c1cccc3 cba8fb0f2e4eb43cd458242736bb5465 [0,0,0,2,0,0|1,0,1]=4 791 B15R3.40269 O=CN1CC2(CC2)c3c1cccc3 d9d73bc5faa02da6797ce8b946467765 [0,0,0,2,0,0|1,0,1]=4 792 B13R1.79 CCCN(C=O)Cc1ccccc1 04c3429c9ded9bdd8050a0febdf2a8ae [1,0,0,0,0,1|1,0,1]=4 793 B13R1.45 C=C(COC(C)C)c1ccccc1 c46326accaa0df25e6f5b70ed8df995e [1,0,0,0,0,1|0,0,1]=3 794 B13R1.45 C=C(COC(C)C)c1ccccn1 8bb0ad4e46a78ab019e0af242ea6e922 [1,0,0,0,0,1|1,0,1]=4 795 B13R1.45 CC(C)CNC(=O)c1ccccc1 e24d07508e1f4c32ab6066e627a71e08 [1,0,0,0,0,1|0,0,1]=3 796 B13R1.45 CC(C)CNC(=O)c1ccccn1 627ac570d4ba0e558d4fdfedf4d085a5 [1,0,0,0,0,1|1,0,1]=4 797 B13R1.45 CC(C)CNC(=O)c1cccnc1 312208435fd80eb75f2328e803c7bd07 [1,0,0,0,0,1|1,0,1]=4 798 B13R1.45 CC(C)CNC(=O)c1ccncc1 9e7ab58f6e8866279e951fcacce6e05c [1,0,0,0,0,1|1,0,1]=4 799 B13R1.45 CC(C)NCC(=O)c1ccccc1 e4ded4d81dacb28522b7b23f367a5817 [1,0,0,0,0,1|0,0,1]=3 800 B13R1.45 CC(C)OCC(=O)c1ccccc1 1a2559ca9ca27a395e5d70680cd4fdb5 [1,0,0,0,0,1|0,0,1]=3 801 B13R1.45 CC(C)OCC(=O)c1ccccn1 74c26af87c69a072f7a6a2c687982025 [1,0,0,0,0,1|1,0,1]=4 802 B13R1.45 CC(C)OCC(=O)c1cccnc1 0080a2f5f82fd5e496a79b4b736ebcd2 [1,0,0,0,0,1|1,0,1]=4 803 B13R1.45 CC(O)CNC(=O)c1ccccc1 59dfb517b08db2cf84f86f45a76faf2d [1,0,0,0,0,1|1,0,1]=4 804 B13R1.45 C[C@@H](O)CNC(=O)c1ccccc1 58658cc6384a558b469db82070a6d0b9 [1,0,0,0,0,1|1,0,1]=4 805 B13R1.45 C[C@H](O)CNC(=O)c1ccccc1 df4e2d9b61843b0cec186f242ac9a4b7 [1,0,0,0,0,1|1,0,1]=4 806 B13R1.348 C/C(=C/C(=O)Nc1ccccc1)/Cl 71d04c03ab04dce12be82d9cd3e22da7 [1,0,0,0,0,1|1,0,1]=4 807 B13R1.348 C/C(=C/C(=O)Nc1ccccc1)/I 4d2f20ae9c2ee1d97df7e680bea6faf3 [1,0,0,0,0,1|1,0,1]=4 808 B13R1.348 C/C(=C\C(=O)Nc1ccccc1)/Cl 379720f3fb5f3e7a2c485365ee89d739 [1,0,0,0,0,1|1,0,1]=4 809 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 1d0a06923d166ac3f7dad59f4831ae4a [1,0,0,0,0,1|0,0,1]=3 810 B13R1.348 CC(=CC(=O)Nc1ccccc1)I b10185540f5a9a294d4b6b770d4d2e96 [1,0,0,0,0,1|1,0,1]=4 811 B13R1.348 CC(=CC(=O)Nc1ccccn1)C b1ceec6308a4132858848efc60ce6fcb [1,0,0,0,0,1|1,0,1]=4 812 B13R1.348 CC(=CC(=O)Nc1cccnc1)C c98c5a5322e62582184121b42743e870 [1,0,0,0,0,1|1,0,1]=4 813 B13R1.348 CC(=CC(=O)Nc1ccncc1)C 96978c0802e5f4b278ceea9dde97b562 [1,0,0,0,0,1|1,0,1]=4 814 B13R1.348 CC(C)CC(=O)Nc1ccccn1 d46f787682c9a30598862dbcc9cde6fc [1,0,0,0,0,1|1,0,1]=4 815 B13R1.348 CC(C)CC(=O)Nc1cccnc1 4a73d1462c392cdde33d61ed61ea37e6 [1,0,0,0,0,1|1,0,1]=4 816 B13R1.418 CC(C)C(C=O)Nc1ccccc1 d774c4f620449b5df4c6d95d952d43bc [0,0,0,0,1,1|0,0,1]=3 817 B13R1.418 CC(C)C(C=O)Nc1ccccn1 4a58f1b1e7ed148f3da4319cf0cc3ea8 [0,0,0,0,1,1|1,0,1]=4 818 B13R1.418 CC(C)C(C=O)Nc1cccnc1 2b670336a7feb525e3918819220dfd82 [0,0,0,0,1,1|1,0,1]=4 819 B13R1.418 CC(C)C(C=O)Nc1ccncc1 a3c12e4c4659da4838cae40042d7fd72 [0,0,0,0,1,1|1,0,1]=4 820 B13R1.418 CC(C)C(C=O)Oc1ccccn1 ef0c7cad9d095e57347144a600afefb9 [0,0,0,0,1,1|1,0,1]=4 821 B13R1.418 CC(C)C(C=O)Oc1cccnc1 fd28735f66fabd13512b24e0a20b892f [0,0,0,0,1,1|1,0,1]=4 822 B13R1.418 CC(C)C(C=O)Oc1ccncc1 4a2ba7819520499533d7c3b187c3e73d [0,0,0,0,1,1|1,0,1]=4 823 B13R1.418 CC(C)N(C=O)Cc1ccccc1 59fdda873ca35d91d20a94a609f32c50 [0,0,0,0,1,1|1,0,0]=3 824 B13R1.418 CC(C)N(C=O)Cc1ccccn1 3282fa71de785ef5cdba25e605ff6edb [0,0,0,0,1,1|2,0,0]=4 825 B13R1.418 CC(C)N(C=O)Cc1cccnc1 25a6442f0215c8a0acc49d7254813d3f [0,0,0,0,1,1|2,0,0]=4 826 B15R1.4008 CC(C)CCN(C=O)Cc1ccccc1 51f3419a2721b46df68f66041aa686af [0,0,0,0,0,2|1,0,1]=4 827 B15R1.4008 CC(C)CNC(C=O)Cc1ccccc1 2e467accd69c4703777976181a5d402d [0,0,0,0,0,2|0,0,2]=4 828 B15R1.5331 C=C(C)CO/C=C(\C=O)/c1ccccc1 bc382077b7fc9390d41bdeede80918cb [0,0,0,0,0,2|0,0,2]=4 829 B15R1.5331 CC(=CCNC(C=O)c1ccccc1)C 09abdccc322bca88110ef31a7f0e0858 [0,0,0,0,0,2|0,0,2]=4 830 B15R1.5331 CC(C)CCNC(C=O)c1ccccc1 3452f660a5aeecda43538a8344607041 [0,0,0,0,0,2|0,0,2]=4 831 B15R1.5331 CC(C)CO/C=C(\C=O)/c1ccccc1 fdf3a6da6d271104f274a2dd0fe788fb [0,0,0,0,0,2|0,0,0]=2 832 B15R1.5331 CC(C)CO/C=C(\C=O)/c1ccccn1 dee771b1558289416830eb99710cc472 [0,0,0,0,0,2|1,0,0]=3 833 B15R1.5331 CC(C)CO/C=C(\C=O)/c1ccncc1 f88624824164c1a5243b301d2b280928 [0,0,0,0,0,2|1,0,0]=3 834 B15R1.5331 CC(C)CO/C=C(\C=O)/c1ccncn1 6633c7dde63a46a82e133c0bf0b831ea [0,0,0,0,0,2|2,0,0]=4 835 B15R1.5331 CC(C)CO/C=C(\C=O)/c1cnccn1 126271b23f7da756c9e8da83f35ded9a [0,0,0,0,0,2|2,0,0]=4 836 B15R1.5331 CC(C)COC=C(C#N)c1ccccc1 ca98a725f70855813b1eaafd4deec0d1 [0,0,0,0,0,2|1,0,1]=4 837 B15R1.5331 CN(C)CO/C=C(\C=O)/c1ccccc1 63d11d6e6728f4abccae1fc3344d48b5 [0,0,0,0,0,2|1,0,0]=3 838 B15R1.5331 CN(C)CO/C=C(\C=O)/c1ccccn1 1609f0082b84e32fd5d9ced48812d8d1 [0,0,0,0,0,2|2,0,0]=4 839 B15R1.5331 CN(C)CO/C=C(\C=O)/c1ccncc1 492a6a7fcc81f9cadefeac70652e1181 [0,0,0,0,0,2|2,0,0]=4 840 B15R1.5331 O=C/C(=C\OCC(F)F)/c1ccccc1 f9b73b7c4a11196f7a8405273e7e83f8 [0,0,0,0,0,2|2,0,0]=4 841 B15R1.5336 CC(C)CN(C=O)CCc1ccccc1 d2e97c19e7962d1ba8735f5f9b19de4e [0,0,0,0,0,2|1,0,1]=4