0 B27R3.52606788 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)NC#N)C 9dd9bb3b20aada77740f70a656742561 [0,0,0,0,0,0|2,0,1]=3 1 B27R3.52606788 CCNC(=O)c1ccc(cc1)CNc2ccc3c(c2)C(CCS3)(C)C d3cc44c75a577f9b86207a34a3e6e65f [0,0,0,0,0,0|3,0,1]=4 2 B27R3.52606788 CCOC(=O)c1ccc(cc1)CNc2ccc3c(c2)C(CCN3)(C)C a2298f6996c24af1fd1a6f440f74934d [0,0,0,0,0,0|3,0,1]=4 3 B27R3.52606788 CCOC(=O)c1ccc(nc1)CNc2ccc3c(c2)C(CCN3)(C)C 062529d15cc1436ee33bce55c915e08f [0,0,0,0,0,0|2,0,1]=3 4 B26R3.5074436 CCOC(=O)c1ccc(nc1)CNc2ccc3c(c2)C(CCN3)C a06df4c77895caf3942dab5fbefdd17f [1,0,0,0,0,0|2,0,1]=4 5 B26R3.54668635 COC(=O)c1ccc(cc1)CNc2ccc3c(c2)C(CCS3)(C)C e1d9c428970a05861f12363f842e9e25 [1,0,0,0,0,0|2,0,1]=4 6 B26R3.54668635 COC(=O)c1ccc(nc1)CNc2ccc3c(c2)C(CCN3)(C)C 911ca4590ebed6040b63481a01bd84d3 [1,0,0,0,0,0|2,0,1]=4 7 B26R3.54668635 COC(=O)c1ccc(nc1)CNc2ccc3c(c2)C(CCO3)(C)C b81d4c37c8ac82ca4e1fe673d46b4dd3 [1,0,0,0,0,0|1,1,1]=4 8 B26R3.54668635 COC(=O)c1ccc(nc1)CNc2ccc3c(c2)C(CCS3)(C)C a20a0f7f612e4b2e7713c1a025dfff1b [1,0,0,0,0,0|1,0,1]=3 9 B28R3.109959343 C#CCNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C b02cc2b3cbbb193d91ec784a41a4c9b4 [0,1,0,0,0,0|1,0,1]=3 10 B28R3.109959343 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)NCC#N)C 53412a97fe394a83db430733d11f131d [0,1,0,0,0,0|1,0,1]=3 11 B28R3.109959343 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)NCCBr)C 09a0b742565f4e3bad6ad74bb4c64599 [0,1,0,0,0,0|1,0,0]=2 12 B28R3.109959343 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)NCCF)C 67a844b19fab0c8c38838dc15570111d [0,1,0,0,0,0|1,0,0]=2 13 B28R3.109959343 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)NCCI)C 223a4af622d18bc1102d2b4cafe3f6ea [0,1,0,0,0,0|1,0,0]=2 14 B28R3.109959343 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)NCCO)C 6b3b872085980dc4d4ff12a711d6d7d9 [0,1,0,0,0,0|1,0,0]=2 15 B28R3.109959343 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)NCCS)C f91588af0787405113db8a53383ce27b [0,1,0,0,0,0|1,0,0]=2 16 B28R3.109959343 CCCNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 9cd33208937a49358722b65e5cf9b9ef [0,1,0,0,0,0|1,0,0]=2 17 B28R3.114889523 CCN(C)C(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 31a3af43f5d8334fd17fcacb53a47073 [0,1,0,0,0,0|1,0,0]=2 18 B28R3.506702367 CCOC(=O)c1ccc(nc1)CNc2ccc3c(c2)C(CCC3=O)(C)C ddc2b4d38db6a6fbd80937372cbeec00 [0,1,0,0,0,0|2,0,1]=4 19 B26R2.1240881 CCOC(=O)c1ccc(nc1)CNc2ccc(cc2)OCCC(C)C a817271369e8492b28c11597cfb0becd [0,0,1,0,0,0|1,1,1]=4 20 B26R2.1240881 CCOC(=O)c1ccc(nc1)NCc2ccc(cc2)OCCC(C)C 79c2d4e10b01e0ae001a212288413676 [0,0,1,0,0,0|1,1,1]=4 21 B26R2.14694697 CCOC(=O)c1ccc(nc1)CNc2ccc(c(c2)C(C)C)OCC ba7be6ad3e0e8617841a46cd4217b51d [0,0,1,0,0,0|1,1,1]=4 22 B26R3.46368435 CCNC(=O)c1ccc(nc1)Nc2ccc3c(c2)C(CCN3)(C)C 0cb57d25b82faadf5b8857581b747a88 [0,0,0,0,1,0|3,0,0]=4 23 B26R3.46368435 CCOC(=O)c1ccc(cc1)Nc2ccc3c(c2)C(CCN3)(C)C 54c04553422a3cc5c8b74e7c3723aec6 [0,0,0,0,1,0|3,0,0]=4 24 B26R3.46368435 CCOC(=O)c1ccc(nc1)Nc2ccc3c(c2)C(CCN3)(C)C 54f80092e79960253684aa9da01f9946 [0,0,0,0,1,0|2,0,0]=3 25 B26R3.46368435 CCOC(=O)c1ccc(nc1)Nc2ccc3c(c2)C(CCS3)(C)C 1ee47cd4e06af1d6d19fb59c2b0d9118 [0,0,0,0,1,0|1,0,0]=2 26 B26R3.46368435 CCOC(=O)c1ccc(nn1)Nc2ccc3c(c2)C(CCN3)(C)C 61ecec918536aa6d8b2784c7f7990728 [0,0,0,0,1,0|3,0,0]=4 27 B26R3.46368435 CCOC(=O)c1cnc(cn1)Nc2ccc3c(c2)C(CCN3)(C)C bd080999bea8a81bed84b92b84d3d1cc [0,0,0,0,1,0|3,0,0]=4 28 B26R3.46368435 CCOC(=O)c1cnc(nc1)Nc2ccc3c(c2)C(CCN3)(C)C 6427ec7324a786f3c197beeb230b0fd2 [0,0,0,0,1,0|3,0,0]=4 29 B26R3.46376771 CCOC(=O)c1ccc(nc1)CNc2ccc3c(c2)C(CN3)(C)C 4d00d6f712248ab2cb02b3f7d5cca3cf [0,0,0,0,1,0|2,0,1]=4 30 B25R2.794830 CCCCSc1ccc(cc1)NCc2ccc(cn2)C(=O)OCC 4ca1aced765a8a17ef4ef72a584158c1 [1,0,1,0,0,0|1,0,1]=4 31 B25R2.20326219 CCOC(=O)c1ccc(nc1)CNc2ccc(c(c2)C(C)C)SC 8c0f25403eae3d57d97c2f4cea42c5d3 [1,0,1,0,0,0|1,0,1]=4 32 B25R2.20326016 CCOC(=O)c1ccc(nc1)CNc2cccc(c2)C(C)(C)CC da8b61ac68719ae11c190f7b92b3d8ce [1,0,1,0,0,0|1,0,1]=4 33 B27R3.339461782 CCOC(=O)c1ccc(cc1F)Nc2ccc3c(c2)C(CCS3)(C)C 30dd4c7ca4901650699ed71066cbc45b [0,1,0,0,1,0|2,0,0]=4 34 B29R3.112543662 C#CC(C)NC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 9965a167fd75a2bfe16ab5ee77d7b6f3 [0,2,0,0,0,0|1,0,0]=3 35 B29R3.112543662 C#C[C@@H](C)NC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C a9afe6405fd778aeaf57745ffd19ce3d [0,2,0,0,0,0|1,0,0]=3 36 B29R3.112543662 C#C[C@H](C)NC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C d1c8ae047c1f19d78d8d52513462b84e [0,2,0,0,0,0|1,0,0]=3 37 B29R3.112543662 C=CC(C)NC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 3dac586437b33416e04447f2bc16a97c [0,2,0,0,0,0|1,0,0]=3 38 B29R3.112543662 CC(C#N)NC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C daa1f433439b38773e8f665a9a13ef3c [0,2,0,0,0,0|1,0,0]=3 39 B29R3.112543662 CC(CO)NC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 84a67bb94f24a0a0c825bce0ddd4fbb6 [0,2,0,0,0,0|1,0,0]=3 40 B29R3.112543662 CCC(C)NC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C f8fc16d7cbadded091c452d96a7ee85e [0,2,0,0,0,0|1,0,0]=3 41 B29R3.112543662 CC[C@@H](C)NC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C ca56d3002d6e421a2f76b29a1a724ce6 [0,2,0,0,0,0|1,0,0]=3 42 B29R3.112543662 CC[C@H](C)NC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C ab893c3a82932500844121f649634d78 [0,2,0,0,0,0|1,0,0]=3 43 B29R3.112543662 C[C@@H](CO)NC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 0f2ba86f9e8f204e90454bf90dd2dacb [0,2,0,0,0,0|1,0,0]=3 44 B29R3.112543662 C[C@H](CO)NC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 7916743c7cb9ccb62c7ee0bdcaea4b10 [0,2,0,0,0,0|1,0,0]=3 45 B29R3.192211881 C#CCCNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 791216fbe81e5fba13cc9d1bdf9e5eec [0,2,0,0,0,0|1,0,0]=3 46 B29R3.192211881 C=CCCNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C a0a2f9228c7e5d2107f4d12848e83f7a [0,2,0,0,0,0|1,0,0]=3 47 B29R3.192211881 CC#CCNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 048db80f4d76dc47b452f5da9cf686c8 [0,2,0,0,0,0|1,0,0]=3 48 B29R3.192211881 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)NCCC#N)C e2082684573f63d3d3cdf2467ab7ebc6 [0,2,0,0,0,0|1,0,0]=3 49 B29R3.192211881 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)NCCCCl)C 291b10389b952e90d60d0afe21d3fb33 [0,2,0,0,0,0|1,0,0]=3 50 B29R3.192211881 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)NCCCO)C b692535b5ef7176dc68a06837f1cb1c2 [0,2,0,0,0,0|1,0,0]=3 51 B29R3.192211881 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)NCCON)C c7790b6609c91c656659735b8ef608f0 [0,2,0,0,0,0|1,0,0]=3 52 B29R3.192211881 CC=CCNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C ac14dd1ebd932c1453c21111baefd837 [0,2,0,0,0,0|1,0,0]=3 53 B29R3.192211881 CCCCNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 6b2850fcbe8ad6b3d945b6af28bd6487 [0,2,0,0,0,0|1,0,0]=3 54 B29R3.192211881 COCCNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 8fbbaf8c10389894e3c3f959abcd2f40 [0,2,0,0,0,0|1,0,0]=3 55 B29R3.192211881 CSCCNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 48f8f2b792dfba16af31542fd796e335 [0,2,0,0,0,0|1,0,0]=3 56 B29R3.1123222545 CC1(CCSc2c1cc(cc2)C#Cc3ccc(c(c3)O)C(=O)NCCF)C cebff67ec6b6881ba6829b2cc568fa37 [0,2,0,0,0,0|2,0,0]=4 57 B29R3.1123222545 CC1(CCSc2c1cc(cc2)C#Cc3ccc(c(c3)O)C(=O)NCCI)C f4e661f88d5da6b370b1a4b57c17a065 [0,2,0,0,0,0|2,0,0]=4 58 B29R3.1123222545 CC1(CCSc2c1cc(cc2)C#Cc3ccc(c(c3)O)C(=O)NCCO)C 72e087a902467e4aa877de6a7a3ea6a4 [0,2,0,0,0,0|2,0,0]=4 59 B29R3.1123222545 CC1(CCSc2c1cc(cc2)C#Cc3ccc(c(c3)O)C(=O)NCCS)C c670eb6f46fb5e30811041b499b3f601 [0,2,0,0,0,0|2,0,0]=4 60 B29R3.1123222545 CCCNC(=O)c1ccc(cc1O)C#Cc2ccc3c(c2)C(CCS3)(C)C 673e5c6e202b602e73d5c958930e7a20 [0,2,0,0,0,0|2,0,0]=4 61 B29R3.1315188023 C=C(Br)CNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 8caf878c91f1d8cf341f84a734f87cd8 [0,2,0,0,0,0|1,0,1]=4 62 B29R3.1315188023 C=C(C)CNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 7cf64fe6fe3744f8e26093f58de891fd [0,2,0,0,0,0|1,0,0]=3 63 B29R3.1315188023 CC(=O)CNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C cb416a83ddf74a5bb06fe762c426c2e7 [0,2,0,0,0,0|1,0,0]=3 64 B29R3.1315188023 CC(C)CNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C fd730c4d007c521e40a0719cfb1668e7 [0,2,0,0,0,0|1,0,0]=3 65 B29R3.1315188023 CC(O)CNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 9f59a423fe983371b966e6c193f43c32 [0,2,0,0,0,0|1,0,0]=3 66 B29R3.1315188023 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)NCC(=O)N)C dc6d59229c3e49a70bf832c9f3615365 [0,2,0,0,0,0|1,0,1]=4 67 B29R3.1315188023 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)NCC(F)F)C c59ecb8a93f82aabe8985214931d4f9e [0,2,0,0,0,0|1,0,0]=3 68 B29R3.1315188023 C[C@@H](O)CNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 84933d6f4c813756a7025a1663d7eef4 [0,2,0,0,0,0|1,0,0]=3 69 B29R3.1315188023 C[C@H](O)CNC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 307b929e7103f83828184e5924af6c94 [0,2,0,0,0,0|1,0,0]=3 70 B29R3.1201810674 CCN(C)C(=O)c1ccc(cc1O)C#Cc2ccc3c(c2)C(CCS3)(C)C 36984f8b789a3be9db7d5dd0f393ab4f [0,2,0,0,0,0|2,0,0]=4 71 B29R3.1487242336 CC(C)N(C)C(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 1802c011bf0c0ba14f798eaf5fbae539 [0,2,0,0,0,0|1,0,0]=3 72 B29R3.522173309 CC(C)(C)NC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C 3a873bf3572a04fc6741b1114ccecb7d [0,2,0,0,0,0|1,0,0]=3 73 B29R4.400978295 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)NC4CC4)C a69c54031042de6a0f6e85c8a5bd4a26 [0,1,0,1,0,0|1,0,0]=3 74 B29R4.649906302 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)N4CCC4)C bdf6432ce9f0fa3b6863244388c4d793 [0,1,0,1,0,0|1,0,0]=3 75 B25R2.22925 CCNC(=O)c1ccc(nc1)Nc2ccc(cc2)SCCC(C)C 1929f615f3e23e2174435bf6a353ec83 [0,0,1,0,1,0|2,0,0]=4 76 B25R2.22925 CCOC(=O)c1ccc(nc1)Nc2ccc(cc2)OCCC(C)C 6a7ed3c52ff5c2e7f0d8dd9772e824c7 [0,0,1,0,1,0|1,1,0]=4 77 B25R2.206533 CCOC(=O)c1ccc(nc1)Nc2ccc(c(c2)C(C)C)OCC 73242114cfc89032a2b75652e0f24a9c [0,0,1,0,1,0|1,1,0]=4 78 B25R3.346707 CCOC(=O)c1ccc(nc1)Nc2ccc3c(c2)C(CCN3)C f24108fbea0c622ed82ae12a45ee413a [1,0,0,0,1,0|2,0,0]=4 79 B25R3.44117388 COC(=O)c1ccc(nc1)Nc2ccc3c(c2)C(CCN3)(C)C 20bf4387826e4a7e2e54aaf7b23af6f7 [1,0,0,0,1,0|2,0,0]=4 80 B25R3.44117388 COC(=O)c1ccc(nc1)Nc2ccc3c(c2)C(CCO3)(C)C e223667677660bb2fc328e3bff2e76d6 [1,0,0,0,1,0|1,1,0]=4 81 B25R3.44117388 COC(=O)c1ccc(nn1)Nc2ccc3c(c2)C(CCS3)(C)C f7e1cea58f34291436b1de4aa82b62bc [1,0,0,0,1,0|2,0,0]=4 82 B25R3.44124265 COC(=O)c1ccc(nc1)CNc2ccc3c(c2)C(CC3)(C)C c64ae7e7e6de6ff1fcb8322295023d5d [1,0,0,0,1,0|1,0,1]=4 83 B25R3.37250300 CCOC(=O)c1cc(c[nH]1)Nc2ccc3c(c2)C(CCS3)(C)C 17fbfffd04745dc459ac2c0b292e6dcf [0,0,0,0,2,0|2,0,0]=4 84 B25R3.346938 CCCC(=O)c1ccc(nc1)c2ccc3c(c2)C(CCO3)(C)C 02100dcc5e7268056ab33cbfbc634595 [0,0,0,0,2,0|1,1,0]=4 85 B25R3.346938 CCNC(=O)c1ccc(cc1)c2ccc3c(c2)C(CCS3)(C)C c0d04f26bd96665a79cb7c663ee0fab4 [0,0,0,0,2,0|2,0,0]=4 86 B25R3.346938 CCNC(=O)c1ccc(nc1)c2ccc3c(c2)C(CCO3)(C)C f02ecc9c93aa5dbf32e0602ac768c87f [0,0,0,0,2,0|1,1,0]=4 87 B25R3.346938 CCOC(=O)c1ccc(cc1)c2ccc3c(c2)C(CCN3)(C)C 368cc2c83e22e0d6f39891f03e406cc6 [0,0,0,0,2,0|2,0,0]=4 88 B25R3.346938 CCOC(=O)c1ccc(cc1)c2ccc3c(c2)C(CCO3)(C)C 9f80d692becb723a42091f9fba3f2df2 [0,0,0,0,2,0|1,1,0]=4 89 B25R3.346938 CCOC(=O)c1ccc(cc1)c2ccc3c(c2)C(CCS3)(C)C 6619435d16c60050811ab97fa8c1d01a [0,0,0,0,2,0|1,0,0]=3 90 B25R3.346938 CCOC(=O)c1ccc(cn1)c2ccc3c(c2)C(CCS3)(C)C ca0591f164ceff2a9ace9f87132566ed [0,0,0,0,2,0|2,0,0]=4 91 B25R3.346938 CCOC(=O)c1ccc(nc1)c2ccc3c(c2)C(CCO3)(C)C 10463f1426bc7394c92f11f1a69b8914 [0,0,0,0,2,0|0,1,0]=3 92 B25R3.346938 CCOC(=O)c1ccc(nn1)c2ccc3c(c2)C(CCO3)(C)C e8a69903cf911f10a1c7abd889ca330f [0,0,0,0,2,0|1,1,0]=4 93 B25R3.346938 CCOC(=O)c1cnc(cn1)c2ccc3c(c2)C(CCO3)(C)C b673d25374d52abbe69dbc86ddd2734d [0,0,0,0,2,0|1,1,0]=4 94 B25R3.346938 CCOC(=O)c1cnc(nc1)c2ccc3c(c2)C(CCO3)(C)C 69706e0bb1e06aba40de916bf74df7ac [0,0,0,0,2,0|1,1,0]=4 95 B25R3.37295671 CCOC(=O)c1ccc(nc1)Nc2ccc3c(c2)C(CN3)(C)C e9115c5fdc4dc27f52322749dcd97795 [0,0,0,0,2,0|2,0,0]=4 96 B27R3.78792411 CCOC(=O)Cc1ccc(nc1)Nc2ccc3c(c2)C(CCN3)(C)C d5eed31add4a6fbbf89c3dc946af6b7d [0,0,0,0,1,1|2,0,0]=4 97 B27R3.78792411 CCOC(=O)Cc1ccc(nc1)Nc2ccc3c(c2)C(CCS3)(C)C 2bafc96b45a519ed112c7a1f273a619a [0,0,0,0,1,1|1,0,0]=3