0 B12R1.75 CC(C)Oc1ccccc1C=O fc188e20ae7067ec467c46f7640666a7 [0,0,1,0,0,0|3,0,0]=4 1 B12R1.283 CC(=O)c1ccccc1NCO d2e1f2231008fa0aa6673cb43185414d [0,0,1,0,0,0|3,0,0]=4 2 B12R1.283 CC(=O)c1ccccc1OCF 57e0947b71fc32a997b474f3cb66ed64 [0,0,1,0,0,0|3,0,0]=4 3 B12R1.283 CCOc1ccccc1C(=O)C 714020703c7343bf4297a0ea0ff54652 [0,0,1,0,0,0|3,0,0]=4 4 B12R1.283 CCOc1ccccc1C(=O)N 3f06cd2d07f6811aa6f09c5cc570f689 [0,0,1,0,0,0|3,0,0]=4 5 B12R1.283 CCOc1ccccc1C(=O)O 6b1a5e508cb085c6b35ea5df73a75644 [0,0,1,0,0,0|2,0,0]=3 6 B12R1.283 CCOc1cccnc1C(=O)O f573e257407c1f9b919d1c95aee1d945 [0,0,1,0,0,0|3,0,0]=4 7 B12R1.283 CCOc1ccncc1C(=O)O adbc21efef717d8df8cb151f07d20290 [0,0,1,0,0,0|3,0,0]=4 8 B12R1.283 CCOc1cnccc1C(=O)O 94430487aa2eb034137044d53b52c591 [0,0,1,0,0,0|3,0,0]=4 9 B12R1.283 CCOc1ncccc1C(=O)O 6df1f7b7a95317b99239972f7ee74542 [0,0,1,0,0,0|3,0,0]=4 10 B12R1.283 NC(=O)c1ccccc1NCO d223710b227e500ab63dce453fa45091 [0,0,1,0,0,0|3,0,0]=4 11 B12R1.283 NC(=O)c1ccccc1OCF 0632446d00c301f090c2f21f5db82ce6 [0,0,1,0,0,0|3,0,0]=4 12 B12R1.283 O=C(O)c1ccccc1OCF 843c9abf5ce75df7059a281ce20ab8dc [0,0,1,0,0,0|2,0,0]=3 13 B12R1.283 O=C(O)c1cccnc1NCO fda77951b7fc5a12ce57a854c1413f3e [0,0,1,0,0,0|3,0,0]=4 14 B12R1.283 O=C(O)c1cccnc1OCF 04986612fe8735b5039c9bbe74b7efc4 [0,0,1,0,0,0|3,0,0]=4 15 B12R1.283 O=C(O)c1ccncc1NCO 2fac94c0a0719b08ca0ee68cb63ad067 [0,0,1,0,0,0|3,0,0]=4 16 B12R1.283 O=C(O)c1ccncc1OCF 12950696e7e00cd4dce2e50859aced23 [0,0,1,0,0,0|3,0,0]=4 17 B12R1.283 O=C(O)c1cnccc1NCO 84705730d23be1d3fa1f22b71fce820e [0,0,1,0,0,0|3,0,0]=4 18 B12R1.283 O=C(O)c1cnccc1OCF cf2aa97a1295857fe3fc64912dcce16d [0,0,1,0,0,0|3,0,0]=4 19 B12R1.283 O=C(O)c1ncccc1NCO a369cba976010587cb1e1c6cfe9c4f27 [0,0,1,0,0,0|3,0,0]=4 20 B12R1.283 O=C(O)c1ncccc1OCF e6c1b4a5b96f8db86e4f13a9aef6edd4 [0,0,1,0,0,0|3,0,0]=4 21 B11R1.41 CCOc1ccccc1C=O 3b9e1c80fdd444a8b433211ec89c2bc9 [1,0,1,0,0,0|2,0,0]=4 22 B11R1.41 O=Cc1ccccc1NCO 96a55a358a7373757c7afe657f4d514b [1,0,1,0,0,0|2,0,0]=4 23 B11R1.41 O=Cc1ccccc1OCF b0d4c747cb20f2174afbd8b084bad836 [1,0,1,0,0,0|2,0,0]=4 24 B13R1.141 CCOc1ccc(cc1C(=O)O)Br e2af0cc89235b44538c8b660174e10b7 [0,1,1,0,0,0|2,0,0]=4 25 B13R1.141 CCOc1ccc(cc1C(=O)O)C 6779f9e09b55c009b765b8eab81726fd [0,1,1,0,0,0|2,0,0]=4 26 B13R1.141 CCOc1ccc(cc1C(=O)O)Cl 9d7654020b6491fc8b90ee2b3bd88e5e [0,1,1,0,0,0|2,0,0]=4 27 B13R1.141 CCOc1ccc(cc1C(=O)O)F c94f251ef259671776b21872877ca3ef [0,1,1,0,0,0|2,0,0]=4 28 B13R1.141 CCOc1ccc(cc1C(=O)O)I 439e245698dcd26858c8810f97ef5b61 [0,1,1,0,0,0|2,0,0]=4 29 B13R1.141 Cc1ccc(c(c1)C(=O)O)NCO 9600cedbbd9da40d8e3dd197048194ed [0,1,1,0,0,0|2,0,0]=4 30 B13R1.141 Cc1ccc(c(c1)C(=O)O)OCF 762189d5ebf32f201d8c6d6f4a48d61c [0,1,1,0,0,0|2,0,0]=4 31 B13R1.141 O=C(O)c1cc(ccc1NCO)Br 1a178b77365232b6fda159307e912cd1 [0,1,1,0,0,0|2,0,0]=4 32 B13R1.141 O=C(O)c1cc(ccc1NCO)Cl f8ff37886d3be8e4602c2f0acafd464c [0,1,1,0,0,0|2,0,0]=4 33 B13R1.141 O=C(O)c1cc(ccc1NCO)I bcecab50f450c7c1e7dfd028860f1a2c [0,1,1,0,0,0|2,0,0]=4 34 B13R1.141 O=C(O)c1cc(ccc1OCF)Br 5040d4f7244729e3a4b00235ffd12469 [0,1,1,0,0,0|2,0,0]=4 35 B13R1.141 O=C(O)c1cc(ccc1OCF)Cl ce7b741160ab4158689a86b6e2efe785 [0,1,1,0,0,0|2,0,0]=4 36 B13R1.141 O=C(O)c1cc(ccc1OCF)F f4e3c9ff5bd28a5fe1b861719045cd8a [0,1,1,0,0,0|2,0,0]=4 37 B13R1.141 O=C(O)c1cc(ccc1OCF)I cbd5376d3e2971575ea5d0f47a925f51 [0,1,1,0,0,0|2,0,0]=4 38 B13R1.356 CCOc1cc(ccc1C(=O)O)Br 6fee8e78fd5a254e13cc06ac5808b393 [0,1,1,0,0,0|2,0,0]=4 39 B13R1.356 CCOc1cc(ccc1C(=O)O)C 6414cdb850a5106af5cc3f2c7a40fb28 [0,1,1,0,0,0|2,0,0]=4 40 B13R1.356 CCOc1cc(ccc1C(=O)O)Cl 21087dceb73e80e558d460f083707a9c [0,1,1,0,0,0|2,0,0]=4 41 B13R1.356 CCOc1cc(ccc1C(=O)O)F 667bc0addead0fc2c3004f46aaef1cc3 [0,1,1,0,0,0|2,0,0]=4 42 B13R1.356 CCOc1cc(ccc1C(=O)O)I 2c32dda90112cc854fda72b014dfe9e3 [0,1,1,0,0,0|2,0,0]=4 43 B13R1.356 Cc1ccc(c(c1)NCO)C(=O)O c3a91ae65d7f03c530f6c4d4d00b887f [0,1,1,0,0,0|2,0,0]=4 44 B13R1.356 Cc1ccc(c(c1)OCF)C(=O)O 072cc061988330392a589e1325949b3e [0,1,1,0,0,0|2,0,0]=4 45 B13R1.356 O=C(O)c1ccc(cc1NCO)Br ec3ea0f3e32065cf77d94a7de0f805fc [0,1,1,0,0,0|2,0,0]=4 46 B13R1.356 O=C(O)c1ccc(cc1NCO)Cl 9a1a5ffccabb292f84a48e46e0a9ed87 [0,1,1,0,0,0|2,0,0]=4 47 B13R1.356 O=C(O)c1ccc(cc1NCO)F 068bf51420754affbf49bb154c3fe27c [0,1,1,0,0,0|2,0,0]=4 48 B13R1.356 O=C(O)c1ccc(cc1NCO)I afa9d97379b78b033ac09fc543b3eb02 [0,1,1,0,0,0|2,0,0]=4 49 B13R1.356 O=C(O)c1ccc(cc1OCF)Br e6cc0e2e4871f9dc837b056348fba012 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.356 O=C(O)c1ccc(cc1OCF)Cl cf2e18d55b70227d4250b2b0f9a3069f [0,1,1,0,0,0|2,0,0]=4 51 B13R1.356 O=C(O)c1ccc(cc1OCF)F 448f9798272334f656233749eef76a57 [0,1,1,0,0,0|2,0,0]=4 52 B13R1.356 O=C(O)c1ccc(cc1OCF)I 6caafb6930d2324e2a340b64bbd6122e [0,1,1,0,0,0|2,0,0]=4 53 B13R1.382 CCOc1ccccc1C(=O)OC a6efb84491b0b5388501da519c64242f [0,1,1,0,0,0|2,0,0]=4 54 B13R1.382 COC(=O)c1ccccc1OCF 9df749821a8627ed881bf05de8b70311 [0,1,1,0,0,0|2,0,0]=4 55 B13R1.382 O=C(NO)c1ccccc1NCO f2976d75fbd4d9cf65bda5c178c2674e [0,1,1,0,0,0|2,0,0]=4 56 B13R1.547 CN(CO)c1ccccc1C(=O)O 8bcb37d875ce09b1030b8735c956d9c3 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.572 C#CCOc1ccccc1C(=O)O 92287d1f1880e24192b8a578c5be0884 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.572 C=CCOc1ccccc1C(=O)O d031786f8767559b436ddccf51233393 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.572 CCCOc1ccccc1C(=O)O 013b24b614fd8afb97f71746e80f8aca [0,1,1,0,0,0|2,0,0]=4 60 B13R1.572 CCOCc1ccccc1C(=O)O c26990568a8197996c93c11b1e3286d3 [0,1,1,0,0,0|2,0,0]=4 61 B13R1.572 COCOc1ccccc1C(=O)C 615975da8410b8017d6dd7944e6812ce [0,1,1,0,0,0|2,0,0]=4 62 B13R1.572 COCOc1ccccc1C(=O)N 0b6c4300a09553e285e53e38a17ef1bd [0,1,1,0,0,0|2,0,0]=4 63 B13R1.572 COCOc1cccnc1C(=O)O 245c37148b541ef8ffb78b8b146d6cd7 [0,1,1,0,0,0|2,0,0]=4 64 B13R1.572 COCOc1ccncc1C(=O)O 930ea14b9d1c0d6df224f9482cf28605 [0,1,1,0,0,0|2,0,0]=4 65 B13R1.572 COCOc1cnccc1C(=O)O 044ec0687900c79f6ec3ecad1c7dd515 [0,1,1,0,0,0|2,0,0]=4 66 B13R1.572 COCOc1ncccc1C(=O)O 2e1840b70011bd710896b605d9a32f57 [0,1,1,0,0,0|2,0,0]=4 67 B13R1.572 CSCOc1ccccc1C(=O)O 10bf170e82d1ec1c2a1651c492c400e8 [0,1,1,0,0,0|1,1,0]=4 68 B13R1.572 N#CCOc1ccccc1C(=O)O 11514690cdbce8af1b505ffb94f21251 [0,1,1,0,0,0|2,0,0]=4 69 B13R1.572 O=C(O)c1ccccc1CNCO 921cc2b8fe657943dbed17368d7a48c3 [0,1,1,0,0,0|2,0,0]=4 70 B13R1.572 O=C(O)c1ccccc1COCF df08fba7e972e3f2670d6fce504729f9 [0,1,1,0,0,0|2,0,0]=4 71 B13R1.572 O=C(O)c1ccccc1NCCO 554ee226c1b819aa217ead1d13575b43 [0,1,1,0,0,0|2,0,0]=4 72 B13R1.572 O=C(O)c1ccccc1OCCF 29d3892333affcdd98d0e88c356bf435 [0,1,1,0,0,0|2,0,0]=4 73 B13R1.572 O=CCOc1ccccc1C(=O)O f4927e92ff47b8ae13ba4e2fe99af873 [0,1,1,0,0,0|1,0,1]=4 74 B13R1.2897 CCOc1cccc(c1C(=O)O)Br dbc53cc086916ecc5dcc24d2c3e9d167 [0,1,1,0,0,0|2,0,0]=4 75 B13R1.2897 CCOc1cccc(c1C(=O)O)C ed538edd3b8ef983927d45b8b1791d16 [0,1,1,0,0,0|2,0,0]=4 76 B13R1.2897 CCOc1cccc(c1C(=O)O)Cl d000408b4a85a793b1d2f3f556c3993b [0,1,1,0,0,0|2,0,0]=4 77 B13R1.2897 CCOc1cccc(c1C(=O)O)F 852f3f5c4cab140a48027e4f97333042 [0,1,1,0,0,0|2,0,0]=4 78 B13R1.2897 CCOc1cccc(c1C(=O)O)I 0163aae4cf8de6a7bedefa80db7b337a [0,1,1,0,0,0|2,0,0]=4 79 B13R1.2897 Cc1cccc(c1C(=O)O)NCO 2f935e00f570a66a2f3fd4d39dfa1c91 [0,1,1,0,0,0|2,0,0]=4 80 B13R1.2897 Cc1cccc(c1C(=O)O)OCF 4465e3dcbf106b39a19e6764181c0a84 [0,1,1,0,0,0|2,0,0]=4 81 B13R1.2897 O=C(O)c1c(cccc1NCO)Cl 35790946756e8eead5e6e46f89abf10b [0,1,1,0,0,0|2,0,0]=4 82 B13R1.2897 O=C(O)c1c(cccc1NCO)F fef8015c83b245638c8361b78702efce [0,1,1,0,0,0|2,0,0]=4 83 B13R1.2897 O=C(O)c1c(cccc1NCO)I 0eb762e1e384ff984cf110d7a49c4142 [0,1,1,0,0,0|2,0,0]=4 84 B13R1.2897 O=C(O)c1c(cccc1OCF)Cl ac3997dec64a89407388115c72e3a437 [0,1,1,0,0,0|2,0,0]=4 85 B13R1.2897 O=C(O)c1c(cccc1OCF)F ba739cd2cf8c3d9082ddf850ea028258 [0,1,1,0,0,0|2,0,0]=4 86 B13R1.2897 O=C(O)c1c(cccc1OCF)I 14f440d1c6c1e5565d139eb2d2c22e13 [0,1,1,0,0,0|2,0,0]=4 87 B13R1.4012 CCOc1c(cccc1C(=O)O)Br 6354cb76f2cb85c6e1016f00044d6be9 [0,1,1,0,0,0|2,0,0]=4 88 B13R1.4012 CCOc1c(cccc1C(=O)O)C 98092c3d70566b433e6191c8cfe9e02f [0,1,1,0,0,0|2,0,0]=4 89 B13R1.4012 CCOc1c(cccc1C(=O)O)Cl bb4e4f9316604d3f3251110fc1f11ad1 [0,1,1,0,0,0|2,0,0]=4 90 B13R1.4012 CCOc1c(cccc1C(=O)O)F ae1d74df2e6062007277c69b43dc860c [0,1,1,0,0,0|2,0,0]=4 91 B13R1.4012 Cc1cccc(c1NCO)C(=O)O 6849b7a69b48669d5c654befde265974 [0,1,1,0,0,0|2,0,0]=4 92 B13R1.4012 Cc1cccc(c1OCF)C(=O)O 73ba71ba3b1824c9aa5b63b6305f50cf [0,1,1,0,0,0|2,0,0]=4 93 B13R1.4012 O=C(O)c1cccc(c1NCO)Br 23aee2bb369d017c7523a1ba22d9e063 [0,1,1,0,0,0|2,0,0]=4 94 B13R1.4012 O=C(O)c1cccc(c1NCO)Cl 2f4a86f42d9c0d347c2570bf28babb58 [0,1,1,0,0,0|2,0,0]=4 95 B13R1.4012 O=C(O)c1cccc(c1NCO)F 722958cdafc11a66d30e688156ec1a40 [0,1,1,0,0,0|2,0,0]=4 96 B13R1.4012 O=C(O)c1cccc(c1NCO)I 98e53b470f2dee4b93f70183eedeac8b [0,1,1,0,0,0|2,0,0]=4 97 B13R1.4012 O=C(O)c1cccc(c1OCF)Br 96f877fd27dc8ff14f7f669329b3bbf0 [0,1,1,0,0,0|2,0,0]=4 98 B13R1.4012 O=C(O)c1cccc(c1OCF)Cl 2117d26362ab5522825bdf9f1442a68a [0,1,1,0,0,0|2,0,0]=4 99 B13R1.4012 O=C(O)c1cccc(c1OCF)F 0c509be96ff8a9ffcdd65c9f6c6cd50c [0,1,1,0,0,0|2,0,0]=4 100 B13R1.674 O=C(NCCO)c1ccccc1O d205d717ef7190b4e30530c4bf14cd51 [0,1,1,0,0,0|2,0,0]=4 101 B15R2.886 CCOc1cc2ccccc2c(=O)o1 439c65e5f162cb874f8f23108315a663 [0,2,0,0,0,0|2,0,0]=4 102 B15R2.886 O=c1cc(oc2c1cccc2)NCO 24a11ed869f140f4d044678ae8beee10 [0,2,0,0,0,0|2,0,0]=4 103 B15R2.886 O=c1oc(cc2c1cccc2)OCF 61dc0f2c6a5311bee50eb9f5d901a6ed [0,2,0,0,0,0|2,0,0]=4 104 B13R1.90 O=Cc1ccccc1OCC(=O)O 63ad72d2af03bffc841ecd7d9d48b6d0 [0,0,1,0,0,1|1,0,1]=4