0 B23R3.1639254 CC(=O)c1ccc(cc1O)c2ncc(c3c2CCC3)C#N 6ad48c59a0307ed239df6429ea21620a [0,0,0,0,0,1|3,0,0]=4 1 B23R3.1639254 Cc1cc(ccc1C(=O)O)c2ncc(c3c2CCC3)C#N 35d8d825797727a2645c86ba680754eb [0,0,0,0,0,1|3,0,0]=4 2 B23R3.1639254 N#Cc1cnc(c2c1CCC2)c3ccc(c(c3)Br)C(=O)O f4512a9f5740b591a8ed3dc8c0f1bcea [0,0,0,0,0,1|3,0,0]=4 3 B23R3.1639254 N#Cc1cnc(c2c1CCC2)c3ccc(c(c3)Cl)C(=O)O 8a3f6139eb37abe3235a441505936482 [0,0,0,0,0,1|3,0,0]=4 4 B23R3.1639254 N#Cc1cnc(c2c1CCC2)c3ccc(c(c3)F)C(=O)O 229e5b413398397462c3a7f3ddd78013 [0,0,0,0,0,1|3,0,0]=4 5 B23R3.1639254 N#Cc1cnc(c2c1CCC2)c3ccc(c(c3)O)C(=O)N 7b3e824ff96c4770d75bbccf3fbd89a8 [0,0,0,0,0,1|3,0,0]=4 6 B23R3.1639254 N#Cc1cnc(c2c1CCC2)c3ccc(c(c3)O)C(=O)O b33e394445e9af12e7465c338ef7a77f [0,0,0,0,0,1|2,0,0]=3 7 B23R3.1680000 O=Cc1cc(cc2c1OCC2)c3ccc(c(c3)O)C(=O)O 56e192e9186065119b909c88019c704f [0,0,0,0,0,1|2,0,1]=4 8 B23R3.7392384 CC(=O)c1ccc(cc1C)c2sc(c3c2OCCO3)C#N 23e86c4c4d338a5bdeeee58fe1f73a79 [0,0,0,0,0,1|2,0,0]=3 9 B23R3.7392384 CC(=O)c1ccc(cc1Cl)c2sc(c3c2OCCO3)C#N c5e918dded6bc0230fc1bf203e3c42c9 [0,0,0,0,0,1|2,0,0]=3 10 B23R3.7392384 CC(=O)c1ccc(cc1F)c2sc(c3c2OCCO3)C#N 4995738b88e36c0d3bd435d73c07e6ed [0,0,0,0,0,1|2,0,0]=3 11 B23R3.7392384 CC(=O)c1ccc(cc1O)c2sc(c3c2OCCO3)C#N e75e268d4bca133b8ac0c037b4b14a86 [0,0,0,0,0,1|1,0,0]=2 12 B23R3.7392384 CC(=O)c1ccc(cc1O)c2sc(c3c2OCCO3)C=O 3f224e71cd4da5ded6fc152eb9b0a6d9 [0,0,0,0,0,1|2,0,1]=4 13 B23R3.7392384 CC(O)c1ccc(cc1F)c2sc(c3c2OCCO3)C#N d85cb5ef5dd8456d2ddaa49a3cb74090 [0,0,0,0,0,1|2,0,1]=4 14 B23R3.7392384 Cc1cc(ccc1C(=O)N)c2sc(c3c2OCCO3)C#N 929cd5529eb6cdb12e4a190827d1454d [0,0,0,0,0,1|2,0,0]=3 15 B23R3.7392384 Cc1cc(ccc1[N+](=O)[O-])c2sc(c3c2OCCO3)C#N 1c1fd72dfaaebcb48f4020497578b276 [0,0,0,0,0,1|2,0,1]=4 16 B23R3.7392384 N#Cc1sc(c2c1OCCO2)c3ccc(c(c3)Cl)C(=O)N c7a23fb5fae138160b50002d959d4cf3 [0,0,0,0,0,1|2,0,0]=3 17 B23R3.7392384 N#Cc1sc(c2c1OCCO2)c3ccc(c(c3)F)C(=O)N ecc856dab1cde9c91e0c78a2b59529d0 [0,0,0,0,0,1|2,0,0]=3 18 B23R3.7392384 N#Cc1sc(c2c1OCCO2)c3ccc(c(c3)F)C(=O)O 91bd3e034aa5ee1eb431d089414310e1 [0,0,0,0,0,1|1,0,0]=2 19 B23R3.7392384 N#Cc1sc(c2c1OCCO2)c3ccc(c(c3)F)[N+](=O)[O-] 3cb68b774997d01ad2a69a88dcdf4eb4 [0,0,0,0,0,1|2,0,1]=4 20 B23R3.7392384 N#Cc1sc(c2c1OCCO2)c3ccc(c(c3)O)C(=O)N 520352c0fd2b4efdb6cd0069e87c0581 [0,0,0,0,0,1|1,0,0]=2 21 B23R3.7392384 N#Cc1sc(c2c1OCCO2)c3ccc(c(c3)O)C(=O)O 6c69ab63d75f5262fe1c3773a9b89495 [0,0,0,0,0,1|0,0,0]=1 22 B23R3.7392384 N#Cc1sc(c2c1OCCO2)c3ccc(c(c3)O)[N+](=O)[O-] 347638fb5904b8e98f7ac371aa78d0c7 [0,0,0,0,0,1|1,0,1]=3 23 B23R3.7392384 NC(=O)c1ccc(cc1O)c2sc(c3c2OCCO3)C=O 0236c12bbebc0779541f4e4fda41ab44 [0,0,0,0,0,1|2,0,1]=4 24 B23R3.7392384 O=Cc1sc(c2c1OCCO2)c3ccc(c(c3)Br)C(=O)O 53eab9a0a27e79dd978159113d646b82 [0,0,0,0,0,1|2,0,1]=4 25 B23R3.7392384 O=Cc1sc(c2c1OCCO2)c3ccc(c(c3)Cl)C(=O)O 9ba90dc58ed96983e073f9da0415779f [0,0,0,0,0,1|2,0,1]=4 26 B23R3.7392384 O=Cc1sc(c2c1OCCO2)c3ccc(c(c3)F)C(=O)O c45d6fd1c3555d890a7b7d8ccb3712b5 [0,0,0,0,0,1|2,0,1]=4 27 B23R3.7392384 O=Cc1sc(c2c1OCCO2)c3ccc(c(c3)O)C(=O)O 71226257332c99a7897c34304c0069ee [0,0,0,0,0,1|1,0,1]=3 28 B20R2.1515074 CCc1[nH]c(cc1c2ccc(c(c2)O)C(=O)O)C#N 329c595ed030683391f8375fb8db12b4 [1,0,1,0,0,0|2,0,0]=4 29 B20R2.35866 Cc1c(cc(n1C)C#N)c2ccc(c(c2)O)C(=O)O 0b7405152ba901a6a7f4bc2942a3db81 [1,0,1,0,0,0|2,0,0]=4 30 B24R3.44898444 COC(=O)c1ccc(cc1O)c2ncc(c3c2CCC3)C#N fb7cf2adea38d06c1362b231d3b6db00 [0,1,0,0,0,1|2,0,0]=4 31 B24R3.44898447 COc1cc(ccc1C(=O)O)c2ncc(c3c2CCC3)C#N eae7afde4d427a61e96c619c7fba231a [0,1,0,0,0,1|2,0,0]=4 32 B24R3.5881547 CCc1cc(ccc1C(=O)O)c2sc(c3c2OCCO3)C#N 43a4a47ae420b4635be230e0c9ea3a11 [0,1,0,0,0,1|1,0,0]=3 33 B24R3.5881547 COc1cc(ccc1C(=O)C)c2sc(c3c2OCCO3)C#N efb18402413b5e6d8af7bc4797f8de83 [0,1,0,0,0,1|1,0,0]=3 34 B24R3.5881547 COc1cc(ccc1C(=O)N)c2sc(c3c2OCCO3)C#N f61472db9bb8806d6cf4c4a39f5501ba [0,1,0,0,0,1|1,0,0]=3 35 B24R3.5881547 COc1cc(ccc1C(=O)O)c2sc(c3c2OCCO3)C#N 438d994534621cb9b15f523ae8f28052 [0,1,0,0,0,1|0,0,0]=2 36 B24R3.5881547 COc1cc(ccc1C(=O)O)c2sc(c3c2OCCO3)C=O 2e0d2866a27d3bb6d10c78556400ea19 [0,1,0,0,0,1|1,0,1]=4 37 B24R3.5881547 COc1cc(ccc1[N+](=O)[O-])c2sc(c3c2OCCO3)C#N fd962f7a306aeff058fcd6745134ba05 [0,1,0,0,0,1|1,0,1]=4 38 B24R3.10797600 O=C(O)c1ccc(cc1O)c2sc(c3c2OCCO3)C(=O)O 53714456b16da3fc92bb8145a8fb75e1 [0,1,0,0,0,1|1,0,1]=4 39 B24R3.109287701 CC(=O)c1ccc(c(c1F)F)c2sc(c3c2OCCO3)C#N 1f5d008969146cdf8d793ed85a1b15ce [0,1,0,0,0,1|2,0,0]=4 40 B24R3.109287704 CS(=O)(=O)c1ccc(cc1O)c2sc(c3c2OCCO3)C#N edfa5b6b588b162da2835491c5dd8a62 [0,1,0,0,0,1|1,0,1]=4 41 B24R3.109287711 CNC(=O)c1ccc(cc1C)c2sc(c3c2OCCO3)C#N c9f4c61b2bd2014dcd031f61e2ab5d97 [0,1,0,0,0,1|2,0,0]=4 42 B24R3.109287711 CNC(=O)c1ccc(cc1Cl)c2sc(c3c2OCCO3)C#N fc1831707d04637b07dbb3fdaf77ec8d [0,1,0,0,0,1|2,0,0]=4 43 B24R3.109287711 CNC(=O)c1ccc(cc1F)c2sc(c3c2OCCO3)C#N f27d808af1a23cc90b5886c2c651f3df [0,1,0,0,0,1|2,0,0]=4 44 B24R3.109287711 COC(=O)c1ccc(cc1C)c2sc(c3c2OCCO3)C#N fe94dd69296c59100d2b2bc830adac7b [0,1,0,0,0,1|1,0,0]=3 45 B24R3.109287711 COC(=O)c1ccc(cc1Cl)c2sc(c3c2OCCO3)C#N 4f5f05ec6ae791231dc1da4cd954a235 [0,1,0,0,0,1|1,0,0]=3 46 B24R3.109287711 COC(=O)c1ccc(cc1F)c2sc(c3c2OCCO3)C#N 7b331d64e5e9191c6c144288765401ab [0,1,0,0,0,1|1,0,0]=3 47 B24R3.109287711 COC(=O)c1ccc(cc1O)c2sc(c3c2OCCO3)C#N 6b2cf0a38ea953f7751c235b26f531dd [0,1,0,0,0,1|0,0,0]=2 48 B24R3.109287711 COC(=O)c1ccc(cc1O)c2sc(c3c2OCCO3)C=O bcb70404eb6f6ff5475b595abc6633e6 [0,1,0,0,0,1|1,0,1]=4 49 B24R3.109287711 COC(=O)c1ncc(cc1C)c2sc(c3c2OCCO3)C#N ddd4f5bc055b2e25a7e7021e6d367476 [0,1,0,0,0,1|2,0,0]=4 50 B24R3.109287711 COC(=O)c1ncc(cc1Cl)c2sc(c3c2OCCO3)C#N cc2fbe113d06395c2b461caa776eacf9 [0,1,0,0,0,1|2,0,0]=4 51 B24R3.109287711 COC(=O)c1ncc(cc1F)c2sc(c3c2OCCO3)C#N f4b729cc8dcde6c52d88bd2b5e59bb76 [0,1,0,0,0,1|2,0,0]=4 52 B24R3.109287711 N#Cc1sc(c2c1OCCO2)c3ccc(c(c3)F)C(=O)CBr 77e4c9ef6c6710709377c3e4c6cdcca9 [0,1,0,0,0,1|2,0,0]=4 53 B24R3.1439436464 CC(=O)c1cc(c(cc1F)c2sc(c3c2OCCO3)C#N)F 404d810eaaf5ebe7a7607237f565132c [0,1,0,0,0,1|2,0,0]=4 54 B24R3.2800619868 CC(=O)c1c(cc(cc1F)c2sc(c3c2OCCO3)C#N)F 8353ebc83bafa5c38ba285d743fab59f [0,1,0,0,0,1|2,0,0]=4 55 B24R3.2800619868 N#Cc1sc(c2c1OCCO2)c3cc(c(c(c3)F)C(=O)N)F 8d0f15a40d8ad34f6a9708bb08d64aac [0,1,0,0,0,1|2,0,0]=4 56 B24R3.2800619868 N#Cc1sc(c2c1OCCO2)c3cc(c(c(c3)F)C(=O)O)F 4a2421467c894292484fb8cedf85e344 [0,1,0,0,0,1|1,0,0]=3 57 B22R3.106129600 CC(=O)c1ccc(cc1O)c2sc(cc2C3CC3)C#N faea275b555ae502f17190c6973cdf99 [0,0,1,1,0,0|2,0,0]=4 58 B22R3.106129600 Cc1cc(ccc1C(=O)O)c2sc(cc2C3CC3)C#N b028fafbdd75bcac541d760904466e61 [0,0,1,1,0,0|2,0,0]=4 59 B22R3.106129600 N#Cc1cc(c(s1)c2ccc(c(c2)Br)C(=O)O)C3CC3 a19782567f8e45dd58d31ea52352ea6c [0,0,1,1,0,0|2,0,0]=4 60 B22R3.106129600 N#Cc1cc(c(s1)c2ccc(c(c2)Cl)C(=O)O)C3CC3 7501a93b6c65b56da54f7d610c0d32e2 [0,0,1,1,0,0|2,0,0]=4 61 B22R3.106129600 N#Cc1cc(c(s1)c2ccc(c(c2)F)C(=O)O)C3CC3 01ff4db6e5a06442e2c78c36c842219a [0,0,1,1,0,0|2,0,0]=4 62 B22R3.106129600 N#Cc1cc(c(s1)c2ccc(c(c2)O)C(=O)N)C3CC3 82c6c45f23c2781ec36f35ffb4071891 [0,0,1,1,0,0|2,0,0]=4 63 B22R3.106129600 N#Cc1cc(c(s1)c2ccc(c(c2)O)C(=O)O)C3CC3 2221075857e2ab38923dbbf78b077ccf [0,0,1,1,0,0|1,0,0]=3 64 B24R4.1383429838 Cc1coc2c1ccc(c2)c3sc(c4c3OCCO4)C#N 87ee92f92b5008e5daa91893a17b1a7a [0,0,0,1,0,1|2,0,0]=4 65 B24R4.1383429838 N#Cc1sc(c2c1OCCO2)c3ccc4c(c3)CCC4=O 3808ade017038f8437ab8e457b1843cc [0,0,0,1,0,1|2,0,0]=4 66 B24R4.1383429838 N#Cc1sc(c2c1OCCO2)c3ccc4c(c3)CNC4=O ca3bdb8cdd62ecf289ccf20883e98b21 [0,0,0,1,0,1|2,0,0]=4 67 B24R4.1383429838 N#Cc1sc(c2c1OCCO2)c3ccc4c(c3)COC4=O d5af3f63f81c7f8b45afbace581795ab [0,0,0,1,0,1|1,0,0]=3 68 B22R2.134994 CCOc1ccc(cc1C#N)c2cc(c(cn2)C(=O)O)O 63d76f272cd0198ec8170f1c9df8e3b2 [0,0,1,0,0,1|2,0,0]=4 69 B22R2.134994 CCOc1ccc(cc1C#N)c2ccc(c(c2)C)C(=O)O 23440dfdb0c5e91c80a82a53f81581dc [0,0,1,0,0,1|2,0,0]=4 70 B22R2.134994 CCOc1ccc(cc1C#N)c2ccc(c(c2)Cl)C(=O)O 57544284cd0a0ebc5552980fb3b4e8a4 [0,0,1,0,0,1|2,0,0]=4 71 B22R2.134994 CCOc1ccc(cc1C#N)c2ccc(c(c2)F)C(=O)O 9ba58f84b2e464016fac83d69d7aeac0 [0,0,1,0,0,1|2,0,0]=4 72 B22R2.134994 CCOc1ccc(cc1C#N)c2ccc(c(c2)N)C(=O)O eba48345550ccf75c36095aa763d4e9f [0,0,1,0,0,1|2,0,0]=4 73 B22R2.134994 CCOc1ccc(cc1C#N)c2ccc(c(c2)O)C(=O)C 74fb08b62ddebfebe365b437a7dffa49 [0,0,1,0,0,1|2,0,0]=4 74 B22R2.134994 CCOc1ccc(cc1C#N)c2ccc(c(c2)O)C(=O)N 685e50045629e5bae40a9ed5b043d220 [0,0,1,0,0,1|2,0,0]=4 75 B22R2.134994 CCOc1ccc(cc1C#N)c2ccc(c(c2)O)C(=O)O 35deb827b2d269ff60e29af6759f0ccd [0,0,1,0,0,1|1,0,0]=3 76 B22R2.134994 CCOc1ccc(cc1C#N)c2ccc(c(c2)S)C(=O)O c2c8626672088ea0434f0ddeb7e37eb9 [0,0,1,0,0,1|1,1,0]=4 77 B22R2.134994 CCOc1ccc(cc1C#N)c2ccc(c(n2)O)C(=O)O c73124cb04e0000d0acdcb0efee6c2e7 [0,0,1,0,0,1|2,0,0]=4 78 B22R2.134994 CCOc1ccc(cc1C#N)c2cnc(c(c2)O)C(=O)O 95ba3fa39271defc2dae83b80ca51ebf [0,0,1,0,0,1|2,0,0]=4 79 B22R2.134994 CCOc1ncc(cc1C#N)c2ccc(c(c2)C)C(=O)O d10c3193b3b782ffdace34f394055793 [0,0,1,0,0,1|2,0,0]=4 80 B22R2.134994 CCOc1ncc(cc1C#N)c2ccc(c(c2)F)C(=O)O 4c7738fd161beedaa263cf59a83aba86 [0,0,1,0,0,1|2,0,0]=4 81 B22R2.134994 CCOc1ncc(cc1C#N)c2ccc(c(c2)N)C(=O)O 6d3eedd4bd2bb623a78777dd51ebc6b3 [0,0,1,0,0,1|2,0,0]=4 82 B22R2.134994 CCOc1ncc(cc1C#N)c2ccc(c(c2)O)C(=O)C f8ab5da3b4710829e38c1fa68a500def [0,0,1,0,0,1|2,0,0]=4 83 B22R2.134994 CCOc1ncc(cc1C#N)c2ccc(c(c2)O)C(=O)N d59eb608d72a74649f999e695d146e8f [0,0,1,0,0,1|2,0,0]=4 84 B22R2.134994 CCOc1ncc(cc1C#N)c2ccc(c(c2)O)C(=O)O f1466957281c7b659094d6c2cb119fe8 [0,0,1,0,0,1|1,0,0]=3 85 B22R2.134994 CCOc1ncc(cc1C#N)c2ccc(c(c2)S)C(=O)O 2a7ab7e05af6c1d9e69e51ea9b01f012 [0,0,1,0,0,1|1,1,0]=4 86 B22R2.134994 CCOc1ncc(cc1C#N)c2ccc(c(n2)O)C(=O)O b22110ad8c8982e216e6578475825b3f [0,0,1,0,0,1|2,0,0]=4 87 B22R2.134994 CCOc1ncc(cc1C#N)c2cnc(c(c2)O)C(=O)O 54b183061886b1b2c47b9e46e6141a11 [0,0,1,0,0,1|2,0,0]=4 88 B22R2.366664 CCOc1cc(ccc1C#N)c2ccc(c(c2)C)C(=O)O 322ae8fb5e4f9d9b7e9d46feac2de5a0 [0,0,1,0,0,1|2,0,0]=4 89 B22R2.366664 CCOc1cc(ccc1C#N)c2ccc(c(c2)F)C(=O)O d35a75367fd2df086afa873f1339e4a5 [0,0,1,0,0,1|2,0,0]=4 90 B22R2.366664 CCOc1cc(ccc1C#N)c2ccc(c(c2)N)C(=O)O ecdca7b89e46d87efc1133aee4c74aca [0,0,1,0,0,1|2,0,0]=4 91 B22R2.366664 CCOc1cc(ccc1C#N)c2ccc(c(c2)O)C(=O)C 56c637b746c6ee782916e9f4405d0cd4 [0,0,1,0,0,1|2,0,0]=4 92 B22R2.366664 CCOc1cc(ccc1C#N)c2ccc(c(c2)O)C(=O)N 2a7168805603ed1bda4014e75f233729 [0,0,1,0,0,1|2,0,0]=4 93 B22R2.366664 CCOc1cc(ccc1C#N)c2ccc(c(c2)O)C(=O)O c114b1ded1ea21a09baf89eae8ef0b52 [0,0,1,0,0,1|1,0,0]=3 94 B22R2.366664 CCOc1cc(ccc1C#N)c2ccc(c(c2)S)C(=O)O 9c0ac90b892811dce80e6097eeef06bc [0,0,1,0,0,1|1,1,0]=4 95 B22R2.366664 CCOc1cc(ccc1C#N)c2ccc(c(n2)O)C(=O)O 00bfec7ab981ee17785a505854224d77 [0,0,1,0,0,1|2,0,0]=4 96 B22R2.366664 CCOc1cc(ccc1C#N)c2cnc(c(c2)O)C(=O)O b76b79b26ffe637f851658a5ad9dc608 [0,0,1,0,0,1|2,0,0]=4 97 B22R2.366664 CCOc1cc(ncc1C#N)c2ccc(c(c2)Br)C(=O)O d8d85f5817ad14fee0ee39cae397ecf4 [0,0,1,0,0,1|2,0,0]=4 98 B22R2.366664 CCOc1cc(ncc1C#N)c2ccc(c(c2)C)C(=O)O f55ac0a18dd8d8c7cc2ad7656b56dc21 [0,0,1,0,0,1|2,0,0]=4 99 B22R2.366664 CCOc1cc(ncc1C#N)c2ccc(c(c2)Cl)C(=O)O 52f039df584e87f882b697b953681c3a [0,0,1,0,0,1|2,0,0]=4 100 B22R2.366664 CCOc1cc(ncc1C#N)c2ccc(c(c2)F)C(=O)O 4b48897e120495979c2cc5c9316efd04 [0,0,1,0,0,1|2,0,0]=4 101 B22R2.366664 CCOc1cc(ncc1C#N)c2ccc(c(c2)O)C(=O)C 490a48abf714f979b3c56756008ecb0f [0,0,1,0,0,1|2,0,0]=4 102 B22R2.428549 COc1cc(cc(c1C)c2ccc(c(c2)F)C(=O)O)C#N 39f468e026211263b85f45c5bb0a9bf0 [0,0,1,0,0,1|2,0,0]=4 103 B22R2.428549 COc1cc(cc(c1C)c2ccc(c(c2)O)C(=O)C)C#N 56a1ecb9a0fa8ff1e55d76d3d4bc9c76 [0,0,1,0,0,1|2,0,0]=4 104 B22R2.428549 COc1cc(cc(c1C)c2ccc(c(c2)O)C(=O)N)C#N 8125777f21fd20472e8e4c6c9f1cf474 [0,0,1,0,0,1|2,0,0]=4 105 B22R2.1644056 COc1cc(c(cc1C#N)c2ccc(c(c2)Cl)C(=O)O)C 2d04a0e73121a41b1c7c06b4abfcfccf [0,0,1,0,0,1|2,0,0]=4 106 B22R2.1644056 COc1cc(c(cc1C#N)c2ccc(c(c2)F)C(=O)O)C 54568434d8db36d35b12b586a7cb513c [0,0,1,0,0,1|2,0,0]=4 107 B22R2.1644056 COc1cc(c(cc1C#N)c2ccc(c(c2)O)C(=O)C)C 2e3aeb8f7321719b937298a7ec5b7738 [0,0,1,0,0,1|2,0,0]=4 108 B22R2.1644056 COc1cc(c(cc1C#N)c2ccc(c(c2)O)C(=O)N)C 25ef2a1298f8f6814e3eb458d83c8a71 [0,0,1,0,0,1|2,0,0]=4 109 B22R2.1644056 COc1cc(c(cc1C#N)c2ccc(c(c2)O)C(=O)O)C 422d3e2f699bd2cc54f29c36870c1f2c [0,0,1,0,0,1|1,0,0]=3 110 B22R2.1644056 COc1cc(c(cc1C#N)c2ccc(c(c2)O)C(=O)O)F 6e0b27ad789bdb0f60f87824f368a280 [0,0,1,0,0,1|2,0,0]=4 111 B22R2.1644056 COc1nc(c(cc1C#N)c2ccc(c(c2)F)C(=O)O)C 29b03fadd15d6f46810714f1efaf8b51 [0,0,1,0,0,1|2,0,0]=4 112 B22R2.1644056 COc1nc(c(cc1C#N)c2ccc(c(c2)O)C(=O)C)C 118cd3922bcba293f82773fa2259d8c4 [0,0,1,0,0,1|2,0,0]=4 113 B22R2.3185603 COc1c(ccc(c1F)c2ccc(c(c2)O)C(=O)O)C#N 4a4d27d120bac5e595804449e9dc975e [0,0,1,0,0,1|2,0,0]=4 114 B22R3.1228468 N#Cc1cnc(c2c1CCC2)c3ccc(cc3)C(=O)O aa4947e70beaf8b948867a0e888cb812 [1,0,0,0,0,1|2,0,0]=4 115 B22R3.5113330 CC(=O)c1ccc(cc1)c2sc(c3c2OCCO3)C#N 41186a42c8773e4e665febfa701878cb [1,0,0,0,0,1|1,0,0]=3 116 B22R3.5113330 CC(=O)c1ccc(cn1)c2sc(c3c2OCCO3)C#N a90f1115f633683385f3326f4a70bd35 [1,0,0,0,0,1|2,0,0]=4 117 B22R3.5113330 CC(O)c1ccc(cc1)c2sc(c3c2OCCO3)C#N e8b48530d049b9a5986a3e44d92caeb0 [1,0,0,0,0,1|1,0,1]=4 118 B22R3.5113330 CS(=O)c1ccc(cc1)c2sc(c3c2OCCO3)C#N dce7ed5066d83b9ae7203345cd34f960 [1,0,0,0,0,1|2,0,0]=4 119 B22R3.5113330 N#Cc1sc(c2c1OCCO2)c3ccc(cc3)C(=O)N a575986dec96190136cf583b28ef2e83 [1,0,0,0,0,1|1,0,0]=3 120 B22R3.5113330 N#Cc1sc(c2c1OCCO2)c3ccc(cc3)C(=O)O 6dedfcab8576450eb085474893a5c28b [1,0,0,0,0,1|0,0,0]=2 121 B22R3.5113330 N#Cc1sc(c2c1OCCO2)c3ccc(cc3)C(=S)N 87e7d4f159357271be5fbbbc22f57aeb [1,0,0,0,0,1|1,1,0]=4 122 B22R3.5113330 N#Cc1sc(c2c1OCCO2)c3ccc(cc3)[N+](=O)[O-] fb99559e3eb5799d6259a9b0c16cfa3c [1,0,0,0,0,1|1,0,1]=4 123 B22R3.5113330 N#Cc1sc(c2c1OCCO2)c3ccc(nc3)C(=O)N 060f8d531042ce423e9d20ed5704aec8 [1,0,0,0,0,1|2,0,0]=4 124 B22R3.5113330 N#Cc1sc(c2c1OCCO2)c3ccc(nc3)C(=O)O 0575f634ecb3a6f07705ce8cc67992c0 [1,0,0,0,0,1|1,0,0]=3 125 B22R3.5113330 O=Cc1sc(c2c1OCCO2)c3ccc(cc3)C(=O)O 9a1670b3cc39f03a7b73a4ef54f4e8c7 [1,0,0,0,0,1|1,0,1]=4 126 B22R3.3097390 COc1ccc(cc1O)c2sc(c3c2OCCO3)C#N b53c42dfad0220a410af556c76a74d3d [1,0,0,0,0,1|2,0,0]=4 127 B22R3.3097390 Cc1cc(ccc1C=O)c2sc(c3c2OCCO3)C#N 9932f866f94ff93c589203680e8b2dc2 [1,0,0,0,0,1|1,0,0]=3 128 B22R3.3097390 Cc1cc(ccc1CO)c2sc(c3c2OCCO3)C#N 87f2a826530241ae53af2f735f463ed7 [1,0,0,0,0,1|1,0,1]=4 129 B22R3.3097390 N#Cc1ccc(cc1O)c2sc(c3c2OCCO3)C#N 23515a2618a466168ac9b967b7ee0192 [1,0,0,0,0,1|1,0,1]=4 130 B22R3.3097390 N#Cc1sc(c2c1OCCO2)c3ccc(c(c3)Cl)C=O c9ed512eced744570da3a48bef06de1b [1,0,0,0,0,1|1,0,0]=3 131 B22R3.3097390 N#Cc1sc(c2c1OCCO2)c3ccc(c(c3)Cl)CO 878cff9167aa6495115c127f6c96f772 [1,0,0,0,0,1|1,0,1]=4 132 B22R3.3097390 N#Cc1sc(c2c1OCCO2)c3ccc(c(c3)F)C=O 51fb7cf88db55cf3635f11892fcccff9 [1,0,0,0,0,1|1,0,0]=3 133 B22R3.3097390 N#Cc1sc(c2c1OCCO2)c3ccc(c(c3)F)CO 4ac8e4cb559be03150531da3ba413f34 [1,0,0,0,0,1|1,0,1]=4 134 B22R3.3097390 N#Cc1sc(c2c1OCCO2)c3ccc(c(c3)O)C=O 75c441a3b8c70ffdcae293960d592386 [1,0,0,0,0,1|0,0,0]=2 135 B22R3.3097390 O=Cc1ccc(cc1O)c2sc(c3c2OCCO3)C=O e4e5171b168d7613030914ea376ad142 [1,0,0,0,0,1|1,0,1]=4 136 B22R3.24024504 N#Cc1cnc(c2c1CCC2)c3ccc(c(c3)O)C=O 51a1823fd2200d87ea92e914b2a69d55 [1,0,0,0,0,1|2,0,0]=4 137 B24R3.10550019 CC(=O)Nc1ccc(cc1C)c2sc(c3c2OCCO3)C#N ffa11f8a9bc3e16b20600d3f52886c5b [0,0,0,0,0,2|2,0,0]=4 138 B24R3.10550019 CC(=O)Nc1ccc(cc1F)c2sc(c3c2OCCO3)C#N b9dd41fbd3de68d8273eb3fb33a94ccd [0,0,0,0,0,2|2,0,0]=4 139 B24R3.10550019 CC(=O)Oc1ccc(cc1C)c2sc(c3c2OCCO3)C#N a2df8f81ac167d7597995a818da0b7cc [0,0,0,0,0,2|2,0,0]=4 140 B24R3.10550019 N#Cc1sc(c2c1OCCO2)c3ccc(c(c3)F)CC(=O)O a7559104f7b3ba7e84f808fa3d89ad97 [0,0,0,0,0,2|1,0,0]=3 141 B24R3.109287505 CC(=O)c1ccc(cc1F)Nc2sc(c3c2OCCO3)C#N e7a4c5cf91c9882e9d1d00dde07b9f4a [0,0,0,0,0,2|2,0,0]=4 142 B24R3.109287505 O=Cc1sc(c2c1OCCO2)Nc3ccc(c(c3)O)C(=O)O a070ccb7f178b14790109745c367bfc9 [0,0,0,0,0,2|1,0,1]=4