0 B19R2.10808 CCOC(=O)c1[nH]ncc1N(C)c2ccccc2 f009a13e9d76ac3a1c9fc8769f219413 [0,0,0,0,0,0|3,0,0]=3 1 B19R2.10808 CCOC(=O)c1[nH]ncc1N(C)c2ccccn2 a1718f2421e2074377ea2aab7b4c9c95 [0,0,0,0,0,0|4,0,0]=4 2 B19R2.10808 CCOC(=O)c1[nH]ncc1N(C)c2cccnc2 21deea234aa6fbca0c6f2e120bf980ae [0,0,0,0,0,0|4,0,0]=4 3 B19R2.10808 CCOC(=O)c1[nH]ncc1N(C)c2ccncc2 eed2ab2e974da68f687e91e3e9826945 [0,0,0,0,0,0|4,0,0]=4 4 B19R2.10808 CCOC(=O)c1cn[nH]c1N(C)c2ccccc2 fb83e8fe89739464953d3718481671f7 [0,0,0,0,0,0|3,0,0]=3 5 B19R2.10808 CCOC(=O)c1cn[nH]c1N(C)c2ccccn2 c30c8f8bb0a7de7a37e5e94273a33a12 [0,0,0,0,0,0|4,0,0]=4 6 B19R2.10808 CCOC(=O)c1cn[nH]c1N(C)c2cccnc2 44d80ec36f7953e41f7a74c2f805c27b [0,0,0,0,0,0|4,0,0]=4 7 B19R2.10808 CCOC(=O)c1cn[nH]c1N(C)c2ccncc2 c93d83c0c54b5777a178f25b99efafa9 [0,0,0,0,0,0|4,0,0]=4 8 B18R2.8052 CCOC(=O)c1cnoc1Nc2ccccc2 b93e4f3f7ba070b0bb1902f05dad339c [1,0,0,0,0,0|3,0,0]=4 9 B20R2.970 C#CCNC(=O)c1cncn1C(C)c2ccccc2 aa36c1bc58f4e63f0f1f6e6c41beb110 [0,1,0,0,0,0|1,0,1]=3 10 B20R2.970 C#CCNC(=O)c1cncn1[C@H](C)c2ccccc2 446c3de44a70d973e834aee65c78958e [0,1,0,0,0,0|1,0,1]=3 11 B20R2.970 CC(c1ccccc1)n2cncc2C(=O)NCC#N 4fd465348001a993c03ba7ce90d9b977 [0,1,0,0,0,0|1,0,1]=3 12 B20R2.970 CC(c1ccccc1)n2cncc2C(=O)NCCBr f31447b57bb3b1acdb5a3fbb3b3e8bf2 [0,1,0,0,0,0|1,0,0]=2 13 B20R2.970 CC(c1ccccc1)n2cncc2C(=O)NCCF 1adf49fa4c792b1a34e39809051fcb5a [0,1,0,0,0,0|1,0,0]=2 14 B20R2.970 CC(c1ccccc1)n2cncc2C(=O)NCCI 3018910942c0941dac221352c8d070f4 [0,1,0,0,0,0|1,0,0]=2 15 B20R2.970 CC(c1ccccc1)n2cncc2C(=O)NCCO d5157628047572d4f160bd824ef1684e [0,1,0,0,0,0|1,0,0]=2 16 B20R2.970 CC(c1ccccc1)n2cncc2C(=O)NCCS 404fb31b4655a713337a3a444b4996a3 [0,1,0,0,0,0|1,0,0]=2 17 B20R2.970 CCCNC(=O)c1cncn1C(C)c2ccccc2 1cdfe031fe4835e2f612ddecd201b9f9 [0,1,0,0,0,0|1,0,0]=2 18 B20R2.970 CCCNC(=O)c1cncn1[C@H](C)c2ccccc2 58dd5028e08adf92ec28dae40d34bdb0 [0,1,0,0,0,0|1,0,0]=2 19 B20R2.970 C[C@H](c1ccccc1)n2cncc2C(=O)NCC#N 3e97a71cd852373f65da82b85037397b [0,1,0,0,0,0|1,0,1]=3 20 B20R2.970 C[C@H](c1ccccc1)n2cncc2C(=O)NCCBr e0bf6ca6c434752455fac7b804d27f67 [0,1,0,0,0,0|1,0,0]=2 21 B20R2.970 C[C@H](c1ccccc1)n2cncc2C(=O)NCCF 08f13456b32ba24ff137df315a7c1c03 [0,1,0,0,0,0|1,0,0]=2 22 B20R2.970 C[C@H](c1ccccc1)n2cncc2C(=O)NCCI a0a8634d2050afd6adc5c88f3f5c78c2 [0,1,0,0,0,0|1,0,0]=2 23 B20R2.970 C[C@H](c1ccccc1)n2cncc2C(=O)NCCO 4fc9a933f36c0f46d27b57729f41e716 [0,1,0,0,0,0|1,0,0]=2 24 B20R2.970 C[C@H](c1ccccc1)n2cncc2C(=O)NCCS 9e3f1e81dbe737e9452421341b9cfbd5 [0,1,0,0,0,0|1,0,0]=2 25 B20R2.1838 CCN(C)C(=O)c1cncn1C(C)c2ccccc2 578ade203ea3e01c14e42ed2f1c5efaa [0,1,0,0,0,0|1,0,0]=2 26 B20R2.1838 CCN(C)C(=O)c1cncn1[C@H](C)c2ccccc2 b2e0577afe289989de9a221fef623724 [0,1,0,0,0,0|1,0,0]=2 27 B20R2.14010 CCOC(=O)c1[nH]ncc1N(C)c2cccc(c2)C 345f5881ad54661fc1fd3ad01279a314 [0,1,0,0,0,0|3,0,0]=4 28 B20R2.14010 CCOC(=O)c1[nH]ncc1N(C)c2cccc(c2)F 62e501a0cfdb3039a262078c436a1bf9 [0,1,0,0,0,0|3,0,0]=4 29 B20R2.14010 CCOC(=O)c1[nH]ncc1N(C)c2cccc(c2)O acdefeb1b2d582554c4c1cb98db882fe [0,1,0,0,0,0|3,0,0]=4 30 B20R2.14010 CCOC(=O)c1cn[nH]c1N(C)c2cccc(c2)C a10187f9a94cc00cd26cd80b999f42e7 [0,1,0,0,0,0|3,0,0]=4 31 B20R2.14010 CCOC(=O)c1cn[nH]c1N(C)c2cccc(c2)F de50670c77fc5becd8b108fd49839cbe [0,1,0,0,0,0|3,0,0]=4 32 B20R2.14010 CCOC(=O)c1cn[nH]c1N(C)c2cccc(c2)O 2fe39abefcfa6fe01d546948c878eb35 [0,1,0,0,0,0|3,0,0]=4 33 B20R2.14070 CCOC(=O)c1[nH]ncc1N(C)c2ccc(cc2)C 9012abc90535b6107127c50ca62b8b8c [0,1,0,0,0,0|3,0,0]=4 34 B20R2.14070 CCOC(=O)c1[nH]ncc1N(C)c2ccc(cc2)F cb57e829b7ab92ccd0fa9f8da03c520c [0,1,0,0,0,0|3,0,0]=4 35 B20R2.14070 CCOC(=O)c1[nH]ncc1N(C)c2ccc(cc2)O 3dd224d31812d38cc93a4b8cc4cb740a [0,1,0,0,0,0|3,0,0]=4 36 B20R2.14070 CCOC(=O)c1[nH]ncc1N(C)c2ccc(cc2)S 9e31726c4f974277cbfa7a508d2d54f7 [0,1,0,0,0,0|3,0,0]=4 37 B20R2.14070 CCOC(=O)c1cn[nH]c1N(C)c2ccc(cc2)C fa93fe0fbd486b47d5c1f02a7a10140a [0,1,0,0,0,0|3,0,0]=4 38 B20R2.14070 CCOC(=O)c1cn[nH]c1N(C)c2ccc(cc2)F 718892cd467a5e7a60159092791c101d [0,1,0,0,0,0|3,0,0]=4 39 B20R2.14070 CCOC(=O)c1cn[nH]c1N(C)c2ccc(cc2)O fd28ec4d8acea5034fabf5bcca9d0a7d [0,1,0,0,0,0|3,0,0]=4 40 B20R2.14070 CCOC(=O)c1cn[nH]c1N(C)c2ccc(cc2)S 1a1ec48651476b6244c71574f0e810ee [0,1,0,0,0,0|3,0,0]=4 41 B20R2.14070 CCOC(=O)c1cscc1N(C)c2ccc(cc2)C 9c5e26cbcfdb823f4a430719c4461bc5 [0,1,0,0,0,0|3,0,0]=4 42 B20R2.14070 CCOC(=O)c1sncc1N(C)c2ccc(cc2)C f9329e090034737e12a61494b7f72d25 [0,1,0,0,0,0|3,0,0]=4 43 B20R2.208276 CCOC(=O)c1cnn(c1N(C)c2ccccc2)C b59580628f1a6a46fec6b97016316042 [0,1,0,0,0,0|3,0,0]=4 44 B20R2.211217 CCOC(=O)c1[nH]ncc1N(C)c2ccccc2C 090527128da54e4ca04d23099fee9733 [0,1,0,0,0,0|3,0,0]=4 45 B20R2.211217 CCOC(=O)c1[nH]ncc1N(C)c2ccccc2F d1c6dc43ea43575ffd06446d4d275942 [0,1,0,0,0,0|3,0,0]=4 46 B20R2.211217 CCOC(=O)c1[nH]ncc1N(C)c2ccccc2O 23f42d2d88a7f420b339b2a2fe36a727 [0,1,0,0,0,0|3,0,0]=4 47 B20R2.211217 CCOC(=O)c1cn[nH]c1N(C)c2ccccc2C b48a4863bb001473e34b455f969e1038 [0,1,0,0,0,0|3,0,0]=4 48 B20R2.211217 CCOC(=O)c1cn[nH]c1N(C)c2ccccc2F 23e169d3af64cb7ca7789244f0c3cb99 [0,1,0,0,0,0|3,0,0]=4 49 B20R2.211217 CCOC(=O)c1cn[nH]c1N(C)c2ccccc2O 024452d2971bc23218144ad577187826 [0,1,0,0,0,0|3,0,0]=4 50 B20R2.211442 CCOC(=O)c1cn[nH]c1N(CC)c2ccccc2 22d2b515825b69fc6e0e2ec24dd8cb4b [0,1,0,0,0,0|3,0,0]=4 51 B18R1.918 CCOC(=O)/C=C/COCC(C)c1ccccc1 981ee73d2f902a0d64bc4f98eec6ff9e [0,0,1,0,0,0|3,0,0]=4 52 B18R1.918 CCOC(=O)/C=C/COC[C@@H](C)c1ccccc1 13177dab243ff72cbb2d49f2de43cc16 [0,0,1,0,0,0|3,0,0]=4 53 B18R1.918 CCOC(=O)C=CCCNC(C)c1ccccc1 671fd71e54414787af53466870d9c6cf [0,0,1,0,0,0|1,0,1]=3 54 B18R1.918 CCOC(=O)C=CCCNC(C)c1ccccn1 78e5b02de068e67da8153a1bad09081c [0,0,1,0,0,0|2,0,1]=4 55 B18R1.918 CCOC(=O)C=CCCNC(C)c1cccnc1 93bdde7bfeb56fdc216ada82a7a9ce52 [0,0,1,0,0,0|2,0,1]=4 56 B18R1.918 CCOC(=O)C=CCCNC(C)c1ccncc1 92d97a5f54fb86526fb77424eca8be52 [0,0,1,0,0,0|2,0,1]=4 57 B18R1.918 CCOC(=O)C=CCCN[C@@H](C)c1ccccc1 0dbcd01cd27437899b4ed12be35d0aed [0,0,1,0,0,0|1,0,1]=3 58 B18R1.918 CCOC(=O)C=CCCN[C@@H](C)c1ccccn1 0fa39bcecc279bca4280e683b7c79f39 [0,0,1,0,0,0|2,0,1]=4 59 B18R1.918 CCOC(=O)C=CCCN[C@@H](C)c1cccnc1 b8856db4ae71ca8c0fc254f24af31abf [0,0,1,0,0,0|2,0,1]=4 60 B18R1.918 CCOC(=O)C=CCCN[C@@H](C)c1ccncc1 8800813a3434809bd8abc7dc01c75c54 [0,0,1,0,0,0|2,0,1]=4 61 B18R1.918 CCOC(=O)C=CCCN[C@H](C)c1ccccc1 b1a2a86f6fbb29d9369af82961f619e0 [0,0,1,0,0,0|1,0,1]=3 62 B18R1.918 CCOC(=O)C=CCCN[C@H](C)c1ccccn1 d7330d3fcea4904b9c4650a76b31fb33 [0,0,1,0,0,0|2,0,1]=4 63 B18R1.918 CCOC(=O)C=CCCN[C@H](C)c1cccnc1 e5d25d5811a012520f3d8e13bfaa9c5c [0,0,1,0,0,0|2,0,1]=4 64 B18R1.918 CCOC(=O)C=CCCN[C@H](C)c1ccncc1 1b3b05a943d8b1b684420ef718c8f293 [0,0,1,0,0,0|2,0,1]=4 65 B18R1.5645 C=CCN(CC(=O)OCC)C(C)c1ccccc1 8d879ce6073f8b8450c53c1d0b9f87d6 [0,0,1,0,0,0|1,0,2]=4 66 B18R1.5645 C=CCN(CC(=O)OCC)[C@@H](C)c1ccccc1 19c254bcfe01c44a912c0661f363c6a9 [0,0,1,0,0,0|1,0,2]=4 67 B18R1.5645 C=CCN(CC(=O)OCC)[C@H](C)c1ccccc1 832d8a9948de185361e0eaf67b491a07 [0,0,1,0,0,0|1,0,2]=4 68 B18R1.24216 CCOC(=O)C(C=O)N(C)C(C)c1ccccc1 d01f1ab28bc8ac21e6bd1ecf3b4d4b78 [0,0,1,0,0,0|1,0,2]=4 69 B18R1.24216 CCOC(=O)C(C=O)N(C)[C@@H](C)c1ccccc1 b66563c1cfc9a5bd5aa31175bb3bbbd8 [0,0,1,0,0,0|1,0,2]=4 70 B18R1.24216 CCOC(=O)C(C=O)N(C)[C@H](C)c1ccccc1 772cc3416e654c944ce558def583423d [0,0,1,0,0,0|1,0,2]=4 71 B20R2.13793 CCOC(=O)c1cccc(c1)N(C)c2ccccc2 086796011f25cc4547dcc0e377f2d817 [0,0,0,0,0,1|3,0,0]=4 72 B20R2.13887 CCOC(=O)c1ccccc1N(C)c2ccccc2 7385791ef27a4ff8bb6d229abf9d18c3 [0,0,0,0,0,1|3,0,0]=4 73 B20R2.13887 CCOC(=O)c1cccnc1N(C)c2ccccc2 67ca98be0ff5c91c79fec7844e113b2d [0,0,0,0,0,1|3,0,0]=4 74 B20R2.13887 CCOC(=O)c1ccncc1N(C)c2ccccn2 9c45fee69ccb490d956ebefedfe9ec00 [0,0,0,0,0,1|3,0,0]=4 75 B20R2.13887 CCOC(=O)c1ccncc1N(C)c2cccnc2 3612b5a10c412611d593c39c6fc22620 [0,0,0,0,0,1|3,0,0]=4 76 B20R2.13887 CCOC(=O)c1cnccc1N(C)c2ccccn2 12b6a631cb3656dd10f4a4f1d99e30d7 [0,0,0,0,0,1|3,0,0]=4 77 B20R2.13887 CCOC(=O)c1cnccc1N(C)c2cccnc2 47c1bb514944d7ae9261438f7c54af1f [0,0,0,0,0,1|3,0,0]=4 78 B20R2.13887 CCOC(=O)c1cncnc1N(C)c2ccccc2 6405210d502743964c961300df0df87c [0,0,0,0,0,1|2,0,0]=3 79 B20R2.13887 CCOC(=O)c1cncnc1N(C)c2ccccn2 f065675e8f710acee2eba4f1de6cbf10 [0,0,0,0,0,1|3,0,0]=4 80 B20R2.13887 CCOC(=O)c1cncnc1N(C)c2cccnc2 6daae624b06cd5e060f5571c9ddd3054 [0,0,0,0,0,1|3,0,0]=4 81 B20R2.13887 CCOC(=O)c1cncnc1N(C)c2ccncc2 c6c916a6c77c0f2e4a0eed5e110232ce [0,0,0,0,0,1|3,0,0]=4 82 B20R2.14011 CCOC(=O)c1cn[nH]c1N(C)Cc2ccccc2 65263ac3f8eed919f5956722a68cf008 [0,0,0,0,0,1|3,0,0]=4 83 B20R2.14035 CCOC(=O)c1cn[nH]c1NC(C)c2ccccc2 d3e96265d70022adada40763bc3ffb38 [0,0,0,0,0,1|2,0,0]=3 84 B20R2.14035 CCOC(=O)c1cn[nH]c1NC(C)c2ccccn2 3a894b298a8ed70441c5641793631d8e [0,0,0,0,0,1|3,0,0]=4 85 B20R2.14035 CCOC(=O)c1cn[nH]c1NC(C)c2cccnc2 797d09206b03f4ff4a05c66a675388c8 [0,0,0,0,0,1|3,0,0]=4 86 B20R2.14035 CCOC(=O)c1cn[nH]c1NC(C)c2ccncc2 a2c7b8670e44c3cc2984682f7a1f33dd [0,0,0,0,0,1|3,0,0]=4 87 B20R2.14035 CCOC(=O)c1cn[nH]c1N[C@@H](C)c2ccccc2 3ba0d2f5666ef354f9514868438838b2 [0,0,0,0,0,1|2,0,0]=3 88 B20R2.14035 CCOC(=O)c1cn[nH]c1N[C@@H](C)c2ccccn2 b2f185d69d34b9044e29294b878daee2 [0,0,0,0,0,1|3,0,0]=4 89 B20R2.14035 CCOC(=O)c1cn[nH]c1N[C@@H](C)c2cccnc2 c02706e289ac2e8ee2b7072a441990d2 [0,0,0,0,0,1|3,0,0]=4 90 B20R2.14035 CCOC(=O)c1cn[nH]c1N[C@@H](C)c2ccncc2 a6250c36c570798d64fbf1812ba632b2 [0,0,0,0,0,1|3,0,0]=4 91 B20R2.14035 CCOC(=O)c1cn[nH]c1N[C@H](C)c2ccccc2 d2e60a1873c5541e1b9ca9eb9d96cc10 [0,0,0,0,0,1|2,0,0]=3 92 B20R2.14035 CCOC(=O)c1cn[nH]c1N[C@H](C)c2ccccn2 7d618a428b3e0b706b7624dea0306190 [0,0,0,0,0,1|3,0,0]=4 93 B20R2.14035 CCOC(=O)c1cn[nH]c1N[C@H](C)c2cccnc2 0a7fa81efc261b5aca80fa7573059080 [0,0,0,0,0,1|3,0,0]=4 94 B20R2.14035 CCOC(=O)c1cn[nH]c1N[C@H](C)c2ccncc2 2975f7c6e04cf60c9aec6f59870c8a03 [0,0,0,0,0,1|3,0,0]=4 95 B20R2.14035 CCOC(=O)c1cn[nH]c1OC(C)c2ccccc2 36da753156717c6ac68ae1cfb7e039bc [0,0,0,0,0,1|2,0,0]=3 96 B20R2.14035 CCOC(=O)c1cn[nH]c1OC(C)c2ccccn2 942a03496631e985cbedd490ad876de1 [0,0,0,0,0,1|3,0,0]=4 97 B20R2.14035 CCOC(=O)c1cn[nH]c1O[C@@H](C)c2ccccc2 b66922075009e19289c337627756e044 [0,0,0,0,0,1|2,0,0]=3 98 B20R2.14035 CCOC(=O)c1cn[nH]c1O[C@H](C)c2ccccc2 df58e25480cda2e5af231cee5788c779 [0,0,0,0,0,1|2,0,0]=3 99 B20R2.14035 CCOC(=O)c1n[nH]cc1NC(C)c2ccccc2 16876f4d6fde79e7bd3ad733fe7d58d8 [0,0,0,0,0,1|2,0,1]=4 100 B20R2.14035 CCOC(=O)c1n[nH]cc1N[C@@H](C)c2ccccc2 2d518f5ec0a2f01398d2f3885b4c7e6c [0,0,0,0,0,1|2,0,1]=4 101 B20R2.14035 CCOC(=O)c1n[nH]cc1N[C@H](C)c2ccccc2 f13f9999a6c9903c9a09a8e354c98506 [0,0,0,0,0,1|2,0,1]=4 102 B20R2.14035 CCOC(=O)c1n[nH]cc1OC(C)c2ccccc2 87d0bb4d184ce9f32fb7fa69dfbb8384 [0,0,0,0,0,1|2,0,1]=4 103 B20R2.14035 CCOC(=O)c1n[nH]cc1O[C@@H](C)c2ccccc2 4797f2c04d189b9117eff80e81da47e9 [0,0,0,0,0,1|2,0,1]=4 104 B20R2.14035 CCOC(=O)c1n[nH]cc1O[C@H](C)c2ccccc2 9fc8bb987a2606b6f79d458c6ed7d2fa [0,0,0,0,0,1|2,0,1]=4 105 B17R1.995 CCOC(=O)C=CCCNCc1ccccc1 a0413b6e4cbacf94e896fe514454769b [1,0,1,0,0,0|1,0,1]=4 106 B17R2.185 CCOCc1cncn1Cc2ccccc2 145adcf7dcfa78ca15b97fc9daa4c264 [2,0,0,0,0,0|0,0,1]=3 107 B17R2.185 CCOCc1cnnn1Cc2ccccc2 6a5edfe50df5a9aaf373fc47ce3d3f26 [2,0,0,0,0,0|1,0,1]=4 108 B17R2.185 FCOCc1cncn1Cc2ccccc2 0a8c6f3d4fb4f3d8b3aea8c1e05f0f4f [2,0,0,0,0,0|1,0,1]=4 109 B19R1.718 CCOC(=O)C=CCCNC(C)c1ccc(cc1)C 9733f45297905954766f8e3a5f99b013 [0,1,1,0,0,0|1,0,1]=4 110 B19R1.718 CCOC(=O)C=CCCNC(C)c1ccc(cc1)Cl f5ffdf8301397167cb4608af812df204 [0,1,1,0,0,0|1,0,1]=4 111 B19R1.718 CCOC(=O)C=CCCNC(C)c1ccc(cc1)F 0fd943aae83a3a9ffbc9d18a72e76c7d [0,1,1,0,0,0|1,0,1]=4 112 B19R1.718 CCOC(=O)C=CCCN[C@@H](C)c1ccc(cc1)C 788fd17b94cff360229a5a4720a48f47 [0,1,1,0,0,0|1,0,1]=4 113 B19R1.718 CCOC(=O)C=CCCN[C@@H](C)c1ccc(cc1)Cl 1d5fe665d635fd3be11919fac54ab912 [0,1,1,0,0,0|1,0,1]=4 114 B19R1.718 CCOC(=O)C=CCCN[C@@H](C)c1ccc(cc1)F 2faec2ecead0a8861157a89c5c2e5bf1 [0,1,1,0,0,0|1,0,1]=4 115 B19R1.718 CCOC(=O)C=CCCN[C@H](C)c1ccc(cc1)C e50f671c548e88a98bf33805a5352cf2 [0,1,1,0,0,0|1,0,1]=4 116 B19R1.718 CCOC(=O)C=CCCN[C@H](C)c1ccc(cc1)Cl 3fac24d11f60fb49a970fe09ad071e91 [0,1,1,0,0,0|1,0,1]=4 117 B19R1.718 CCOC(=O)C=CCCN[C@H](C)c1ccc(cc1)F eca6197010a1c7fba8c471d43e466971 [0,1,1,0,0,0|1,0,1]=4 118 B19R1.719 CCOC(=O)C=CCCNC(C)c1cccc(c1)Br d4e9f456d6f02a082768b9640f7b0c4c [0,1,1,0,0,0|1,0,1]=4 119 B19R1.719 CCOC(=O)C=CCCNC(C)c1cccc(c1)C 6b7ace3a5b2b55c1b0782ac510cf001c [0,1,1,0,0,0|1,0,1]=4 120 B19R1.719 CCOC(=O)C=CCCNC(C)c1cccc(c1)Cl e23d5d08c3be798f0db2d232e0edd52d [0,1,1,0,0,0|1,0,1]=4 121 B19R1.719 CCOC(=O)C=CCCNC(C)c1cccc(c1)F eb3612d3a72dbc9d846389c017405587 [0,1,1,0,0,0|1,0,1]=4 122 B19R1.719 CCOC(=O)C=CCCN[C@@H](C)c1cccc(c1)Br a2dfbbbc21bb49a6778e856ee84c0955 [0,1,1,0,0,0|1,0,1]=4 123 B19R1.719 CCOC(=O)C=CCCN[C@@H](C)c1cccc(c1)C e615f08ceec0fd84d0557dab93a74b02 [0,1,1,0,0,0|1,0,1]=4 124 B19R1.719 CCOC(=O)C=CCCN[C@@H](C)c1cccc(c1)Cl c32b682270c1f1278b35023f676e7911 [0,1,1,0,0,0|1,0,1]=4 125 B19R1.719 CCOC(=O)C=CCCN[C@@H](C)c1cccc(c1)F c8511dfb0126b77a4b3714d9efc56ca8 [0,1,1,0,0,0|1,0,1]=4 126 B19R1.719 CCOC(=O)C=CCCN[C@@H](C)c1cccc(c1)I 969f852a4423a37572a2985da0323e5b [0,1,1,0,0,0|1,0,1]=4 127 B19R1.719 CCOC(=O)C=CCCN[C@H](C)c1cccc(c1)Br 1fbfd14ff05f21fa33a7199aa933c6ce [0,1,1,0,0,0|1,0,1]=4 128 B19R1.719 CCOC(=O)C=CCCN[C@H](C)c1cccc(c1)C a6744ab258702adead78ab5ace4c17d2 [0,1,1,0,0,0|1,0,1]=4 129 B19R1.719 CCOC(=O)C=CCCN[C@H](C)c1cccc(c1)Cl 76ad7bd807cea4d4e7aef28f67489253 [0,1,1,0,0,0|1,0,1]=4 130 B19R1.719 CCOC(=O)C=CCCN[C@H](C)c1cccc(c1)F d369caf28f45f5212f42f818d2e4a86a [0,1,1,0,0,0|1,0,1]=4 131 B19R1.1106 CCOC(=O)C=CCCNC(CC)c1ccccc1 3f3e62be26bb93f1c9110db50272ba0b [0,1,1,0,0,0|1,0,1]=4 132 B19R1.1106 CCOC(=O)C=CCCNC(CO)c1ccccc1 37fd5145ad318f4abd6523209b403eef [0,1,1,0,0,0|1,0,1]=4 133 B19R1.1106 CCOC(=O)C=CCCN[C@@H](CC)c1ccccc1 5d2caff50d8c1c0bf5413e00d59db0e3 [0,1,1,0,0,0|1,0,1]=4 134 B19R1.1106 CCOC(=O)C=CCCN[C@@H](CF)c1ccccc1 e7bfbbb4a65ae27dbfe16907734c7521 [0,1,1,0,0,0|1,0,1]=4 135 B19R1.1106 CCOC(=O)C=CCCN[C@@H](CO)c1ccccc1 8dfeb0d608645dd851aa3cf9ea2c2cd6 [0,1,1,0,0,0|1,0,1]=4 136 B19R1.1106 CCOC(=O)C=CCCN[C@H](CC)c1ccccc1 5fd95dfbc9b9c8b95102b05dacfae01e [0,1,1,0,0,0|1,0,1]=4 137 B19R1.1106 CCOC(=O)C=CCCN[C@H](CO)c1ccccc1 4490f0c629f88de1e8fac06e6be8d844 [0,1,1,0,0,0|1,0,1]=4 138 B19R1.4466 CCOC(=O)C=CCCNC(C)(C)c1ccccc1 2ff5bde4d722120c08fc14a1767ebc24 [0,1,1,0,0,0|1,0,1]=4 139 B19R1.39900 CCOC(=O)C=CCCNC(C)c1ccccc1C c3bca23fe20b4a650384d4ebe39e12e7 [0,1,1,0,0,0|1,0,1]=4 140 B19R1.39900 CCOC(=O)C=CCCNC(C)c1ccccc1Cl 51ff0b2ce74289492f0b582f0cabfa66 [0,1,1,0,0,0|1,0,1]=4 141 B19R1.39900 CCOC(=O)C=CCCNC(C)c1ccccc1F 177d0a99a3f68b0772728eec61c4b3a8 [0,1,1,0,0,0|1,0,1]=4 142 B19R1.39900 CCOC(=O)C=CCCNC(C)c1ccccc1I d6924e825b5fe5bb896a133b473a03dc [0,1,1,0,0,0|1,0,1]=4 143 B19R1.39900 CCOC(=O)C=CCCN[C@@H](C)c1ccccc1C 121980bab9667ed23d9cdb001c5689f9 [0,1,1,0,0,0|1,0,1]=4 144 B19R1.39900 CCOC(=O)C=CCCN[C@@H](C)c1ccccc1Cl 4c1cd13c45b6e0fe0e247622ecf262c4 [0,1,1,0,0,0|1,0,1]=4 145 B19R1.39900 CCOC(=O)C=CCCN[C@@H](C)c1ccccc1F b9ddcbafb350a1327ae4ab8ff6499cec [0,1,1,0,0,0|1,0,1]=4 146 B19R1.39900 CCOC(=O)C=CCCN[C@H](C)c1ccccc1C 2d1d8c533df77c73473cf63e3bdcb9f0 [0,1,1,0,0,0|1,0,1]=4 147 B19R1.39900 CCOC(=O)C=CCCN[C@H](C)c1ccccc1Cl bfd3fc8cd13a657a34e12a69df160c98 [0,1,1,0,0,0|1,0,1]=4 148 B19R1.39900 CCOC(=O)C=CCCN[C@H](C)c1ccccc1F 317312913a102a63e444a97fc01cc559 [0,1,1,0,0,0|1,0,1]=4 149 B19R1.40493 C=CCN(C(=O)C(=O)OCC)C(C)c1ccccc1 8b158cb4603955438fe4312768e31db0 [0,1,1,0,0,0|2,0,0]=4 150 B19R1.40493 C=CCN(C(=O)C(=O)OCC)[C@@H](C)c1ccccc1 3b7e15c3e10247c3b644dcb0ef2b0f17 [0,1,1,0,0,0|2,0,0]=4 151 B19R1.40530 C=CC(=O)N(CC(=O)OCC)[C@@H](C)c1ccccc1 77686ca92b483068dad4cdd4a07ead1c [0,1,1,0,0,0|1,0,1]=4 152 B19R1.40530 C=CC(=O)N(CC(=O)OCC)[C@H](C)c1ccccc1 e64040d9ec86b28ffae93ef97f0aca1b [0,1,1,0,0,0|1,0,1]=4 153 B19R2.1436 C#CCNC(=O)c1cncn1Cc2ccccc2 f563d20221ee0f594a36d0333a5b697f [1,1,0,0,0,0|1,0,1]=4 154 B19R2.1436 CCCNC(=O)c1cccn1Cc2ccccc2 c8d84a252ad6e966f4c4623e9c019a5c [1,1,0,0,0,0|2,0,0]=4 155 B19R2.1436 CCCNC(=O)c1cncn1Cc2ccccc2 5d4d8b36967d11aefdea9612c459286b [1,1,0,0,0,0|1,0,0]=3 156 B19R2.1436 CCCNC(=O)c1cncn1Cc2ccccn2 20c7dde160b51193854b51db4e254ae8 [1,1,0,0,0,0|2,0,0]=4 157 B19R2.1436 CCCNC(=O)c1cncn1Cc2cccnc2 bfeac328d325966be421fae681031a40 [1,1,0,0,0,0|2,0,0]=4 158 B19R2.1436 CCCNC(=O)c1cncn1Cc2ccncc2 5220cf725ed3bfd824d86ce699c34e59 [1,1,0,0,0,0|2,0,0]=4 159 B19R2.1436 N#CCNC(=O)c1cncn1Cc2ccccc2 d6ab6c3164ab78d788bb2e501d00896d [1,1,0,0,0,0|1,0,1]=4 160 B19R2.1436 O=C(NCCBr)c1cccn1Cc2ccccc2 5d0a9a3b4cfc5321f3c7ce07180d5788 [1,1,0,0,0,0|2,0,0]=4 161 B19R2.1436 O=C(NCCBr)c1cncn1Cc2ccccc2 4eb7d28918f364399565f4f6a1a0a5c4 [1,1,0,0,0,0|1,0,0]=3 162 B19R2.1436 O=C(NCCBr)c1cncn1Cc2ccccn2 f182cf609764b293966d81ed3bbca8d4 [1,1,0,0,0,0|2,0,0]=4 163 B19R2.1436 O=C(NCCBr)c1cncn1Cc2cccnc2 a8a3778c588c23e62a0d4cc37ea0a51a [1,1,0,0,0,0|2,0,0]=4 164 B19R2.1436 O=C(NCCBr)c1cncn1Cc2ccncc2 26cd6d60569a9d60abc9a422e2096b03 [1,1,0,0,0,0|2,0,0]=4 165 B19R2.1436 O=C(NCCF)c1cccn1Cc2ccccc2 876b3c737db60bb8a7e25188e026c7e3 [1,1,0,0,0,0|2,0,0]=4 166 B19R2.1436 O=C(NCCF)c1cncn1Cc2ccccc2 29e408091b0285d398c756c05895cc51 [1,1,0,0,0,0|1,0,0]=3 167 B19R2.1436 O=C(NCCF)c1cncn1Cc2ccccn2 beb7116ce2d52e575b4e1fb5d1bb7250 [1,1,0,0,0,0|2,0,0]=4 168 B19R2.1436 O=C(NCCF)c1cncn1Cc2cccnc2 529f46eaf37699d52cfd00b8559cdce7 [1,1,0,0,0,0|2,0,0]=4 169 B19R2.1436 O=C(NCCF)c1cncn1Cc2ccncc2 0400452d4d86b83b36ebf869678af63c [1,1,0,0,0,0|2,0,0]=4 170 B19R2.1436 O=C(NCCI)c1cccn1Cc2ccccc2 529fb134c89980bb6114fe13f33d1d38 [1,1,0,0,0,0|2,0,0]=4 171 B19R2.1436 O=C(NCCI)c1cncn1Cc2ccccc2 9f983128b9f06366ad696d04e51ab4d8 [1,1,0,0,0,0|1,0,0]=3 172 B19R2.1436 O=C(NCCI)c1cncn1Cc2ccccn2 4cb52a22ddaa1024a67177ec10542e59 [1,1,0,0,0,0|2,0,0]=4 173 B19R2.1436 O=C(NCCI)c1cncn1Cc2cccnc2 683b6ee9e7868b2fbd14f36e1fffe21b [1,1,0,0,0,0|2,0,0]=4 174 B19R2.1436 O=C(NCCI)c1cncn1Cc2ccncc2 7ba7af16d259fddb7a1933089644e8f2 [1,1,0,0,0,0|2,0,0]=4 175 B19R2.1436 O=C(NCCO)c1cccn1Cc2ccccc2 52caca0acc77188dafdcafe19c69124b [1,1,0,0,0,0|2,0,0]=4 176 B19R2.1436 O=C(NCCO)c1cncn1Cc2ccccc2 5c2fec17a2a3e453a14e43de8c1c7c00 [1,1,0,0,0,0|1,0,0]=3 177 B19R2.1436 O=C(NCCO)c1cncn1Cc2ccccn2 d9591cec1d268061a66719480f1bc14e [1,1,0,0,0,0|2,0,0]=4 178 B19R2.1436 O=C(NCCO)c1cncn1Cc2cccnc2 8dc5ff86fc457b64b4f42c9de1f5dd1b [1,1,0,0,0,0|2,0,0]=4 179 B19R2.1436 O=C(NCCO)c1cncn1Cc2ccncc2 101912ce1d7c3bbf1a412e25bdf1a863 [1,1,0,0,0,0|2,0,0]=4 180 B19R2.1436 O=C(NCCS)c1cccn1Cc2ccccc2 a90f9940dc0f6c2d864097ea04e41450 [1,1,0,0,0,0|2,0,0]=4 181 B19R2.1436 O=C(NCCS)c1cncn1Cc2ccccc2 78c7a8d72c99080b20fb69f886702aa0 [1,1,0,0,0,0|1,0,0]=3 182 B19R2.1436 O=C(NCCS)c1cncn1Cc2ccccn2 95e2001aa4da7b4c5a6adf5cb73f331d [1,1,0,0,0,0|2,0,0]=4 183 B19R2.1436 O=C(NCCS)c1cncn1Cc2cccnc2 e8e18c487a7bb840a83fb9a862583fac [1,1,0,0,0,0|2,0,0]=4 184 B19R2.1436 O=C(NCCS)c1cncn1Cc2ccncc2 edaef80082948e5070270fc1d74eb0b6 [1,1,0,0,0,0|2,0,0]=4 185 B19R2.1920 CCN(C)C(=O)c1cccn1Cc2ccccc2 13b8749f7d5f388bd727138cb2bee65f [1,1,0,0,0,0|2,0,0]=4 186 B19R2.1920 CCN(C)C(=O)c1cncn1Cc2ccccc2 0bd98aea7a915f3e0d58ad77e823a985 [1,1,0,0,0,0|1,0,0]=3 187 B19R2.1920 CCN(C)C(=O)c1cncn1Cc2ccccn2 e6d88342704e4a1d73d7943044887525 [1,1,0,0,0,0|2,0,0]=4 188 B19R2.1920 CCN(C)C(=O)c1cncn1Cc2cccnc2 d23c4fe7a4bf56d48726589c5f46dfb4 [1,1,0,0,0,0|2,0,0]=4 189 B19R2.1920 CCN(C)C(=O)c1cncn1Cc2ccncc2 fa5ead82f47d5f901069bf36ecbc8022 [1,1,0,0,0,0|2,0,0]=4 190 B21R2.17568 CCOC(=O)c1ccncc1N(C)c2ccc(cc2)C 086d9c047cdfe18b903cb1fc27ee2250 [0,1,0,0,0,1|2,0,0]=4 191 B21R2.17568 CCOC(=O)c1ccncc1N(C)c2ccc(cc2)O 05c8316a5cd5fe7b9a3e751ead49fc37 [0,1,0,0,0,1|2,0,0]=4 192 B21R2.17568 CCOC(=O)c1ccncc1N(C)c2ccc(cc2)S ad80d4b88f1b2bc1dda3471eceffa090 [0,1,0,0,0,1|2,0,0]=4 193 B21R2.17568 CCOC(=O)c1cnccc1N(C)c2ccc(cc2)C e481c7621a5090c760be2892291ecb73 [0,1,0,0,0,1|2,0,0]=4 194 B21R2.17568 CCOC(=O)c1cnccc1N(C)c2ccc(cc2)F 4b6ebf94b65471be596175c184cfb61f [0,1,0,0,0,1|2,0,0]=4 195 B21R2.17568 CCOC(=O)c1cnccc1N(C)c2ccc(cc2)O ab65a73606d22b90749d18555cebdad9 [0,1,0,0,0,1|2,0,0]=4 196 B21R2.17568 CCOC(=O)c1cnccc1N(C)c2ccc(cc2)S 0d78a76acd594efa9ee19bd7343e6363 [0,1,0,0,0,1|2,0,0]=4 197 B21R2.17568 CCOC(=O)c1cncnc1N(C)c2ccc(cc2)C 6febc55a67808b7acd2dab8f8c5638f6 [0,1,0,0,0,1|2,0,0]=4 198 B21R2.17568 CCOC(=O)c1cncnc1N(C)c2ccc(cc2)F f17cbd1fbbde679022f4655c192841d3 [0,1,0,0,0,1|2,0,0]=4 199 B21R2.17568 CCOC(=O)c1cncnc1N(C)c2ccc(cc2)O 3ee5bcac444e496e6542badaa0dfd93d [0,1,0,0,0,1|2,0,0]=4 200 B21R2.17568 CCOC(=O)c1cncnc1N(C)c2ccc(cc2)S b63f6d345ffc89a463c7b804c7b21d48 [0,1,0,0,0,1|2,0,0]=4 201 B21R2.17582 CCOC(=O)c1ccncc1N(C)c2cccc(c2)F 2ca5043206331dd86eac123231eb1d91 [0,1,0,0,0,1|2,0,0]=4 202 B21R2.17582 CCOC(=O)c1ccncc1N(C)c2cccc(c2)O ba85f21145985cc0106796843bcbbf56 [0,1,0,0,0,1|2,0,0]=4 203 B21R2.17582 CCOC(=O)c1cnccc1N(C)c2cccc(c2)F 31313618e560b5c3a3db5ea62af675f8 [0,1,0,0,0,1|2,0,0]=4 204 B21R2.17582 CCOC(=O)c1cnccc1N(C)c2cccc(c2)O 69ce506d5ca618773a7210b46d8c2589 [0,1,0,0,0,1|2,0,0]=4 205 B21R2.17582 CCOC(=O)c1cncnc1N(C)c2cccc(c2)C 149d88949dd45b72d1119214a73b0850 [0,1,0,0,0,1|2,0,0]=4 206 B21R2.17582 CCOC(=O)c1cncnc1N(C)c2cccc(c2)F 6e6e31c85dc4ee029febd4d9e2a921e3 [0,1,0,0,0,1|2,0,0]=4 207 B21R2.17582 CCOC(=O)c1cncnc1N(C)c2cccc(c2)O 5e6ce5d8b076c38faf55055a1b5011eb [0,1,0,0,0,1|2,0,0]=4 208 B21R2.319025 CCOC(=O)c1c(ccnc1F)N(C)c2ccccc2 8c7ca43e17ef8a2e33e656e20ffd2718 [0,1,0,0,0,1|2,0,0]=4 209 B21R2.319025 CCOC(=O)c1c(ncnc1N(C)c2ccccc2)C 4f3e5072de5b196884f7a1cad2a872d1 [0,1,0,0,0,1|2,0,0]=4 210 B21R2.319423 CCOC(=O)c1ccncc1N(C)c2ccccc2O ef85549c89020fec34cb2f1ce4d72dae [0,1,0,0,0,1|2,0,0]=4 211 B21R2.319423 CCOC(=O)c1cnccc1N(C)c2ccccc2O 0e65165d28b157b74a0f65e67c247a0f [0,1,0,0,0,1|2,0,0]=4 212 B21R2.319423 CCOC(=O)c1cncnc1N(C)c2ccccc2C 84758c0b221575477b1d7c266ae78108 [0,1,0,0,0,1|2,0,0]=4 213 B21R2.319423 CCOC(=O)c1cncnc1N(C)c2ccccc2F c5b89fc0ecbd0b2975c8cbc48c1a4e7b [0,1,0,0,0,1|2,0,0]=4 214 B21R2.319423 CCOC(=O)c1cncnc1N(C)c2ccccc2O 53fd02d91e522598d499a72bfd605ee0 [0,1,0,0,0,1|2,0,0]=4 215 B21R2.17795 CCOC(=O)c1cn[nH]c1NC(C)c2cccc(c2)C 4f7e16b9f5f4b7e5b1ad2a53a3382964 [0,1,0,0,0,1|2,0,0]=4 216 B21R2.17795 CCOC(=O)c1cn[nH]c1N[C@@H](C)c2cccc(c2)C 71127f961c9a48fd470efcc4cb29cfa7 [0,1,0,0,0,1|2,0,0]=4 217 B21R2.17795 CCOC(=O)c1cn[nH]c1N[C@@H](C)c2cccc(c2)F 8fe6007084fc587d2eae1409834b6a43 [0,1,0,0,0,1|2,0,0]=4 218 B21R2.17795 CCOC(=O)c1cn[nH]c1N[C@H](C)c2cccc(c2)C 10590bfd8a781411303c67b1cf808b71 [0,1,0,0,0,1|2,0,0]=4 219 B21R2.17795 CCOC(=O)c1cn[nH]c1N[C@H](C)c2cccc(c2)F 5a1eaa3b42c8f93a27c8807a1e584ec5 [0,1,0,0,0,1|2,0,0]=4 220 B21R2.17795 CCOC(=O)c1cn[nH]c1OC(C)c2cccc(c2)Br ef261ffc33193803734f5642c23de867 [0,1,0,0,0,1|2,0,0]=4 221 B21R2.17795 CCOC(=O)c1cn[nH]c1OC(C)c2cccc(c2)Cl a5aee3e3c9bd95d9d4bd7bb505a8f00b [0,1,0,0,0,1|2,0,0]=4 222 B21R2.17795 CCOC(=O)c1cn[nH]c1OC(C)c2cccc(c2)F 4a49aa89bc05fa522cd2f89f258e2790 [0,1,0,0,0,1|2,0,0]=4 223 B21R2.17795 CCOC(=O)c1cnoc1NC(C)c2cccc(c2)Br 68a1f56075bcb157b40cabb5a9c5b9ab [0,1,0,0,0,1|2,0,0]=4 224 B21R2.17795 CCOC(=O)c1cnoc1NC(C)c2cccc(c2)Cl 75d772293cc34f46eed16038867a6326 [0,1,0,0,0,1|2,0,0]=4 225 B21R2.17795 CCOC(=O)c1cnoc1OC(C)c2cccc(c2)Br a2e4f6adbc03d6d7a1735825e251a977 [0,1,0,0,0,1|2,0,0]=4 226 B21R2.17795 CCOC(=O)c1cnoc1OC(C)c2cccc(c2)Cl 4f1155f4f803d949d677d9f64d264cdd [0,1,0,0,0,1|2,0,0]=4 227 B21R2.17795 CCOC(=O)c1cnoc1OC(C)c2cccc(c2)F 3a1dc8a54029c927c879f94e511e0765 [0,1,0,0,0,1|2,0,0]=4 228 B21R2.309048 CCOC(=O)c1cn[nH]c1NC(C)(C)c2ccccc2 ea41419ea028240b5ed93fda51a771bc [0,1,0,0,0,1|2,0,0]=4 229 B21R2.309065 CCOC(=O)c1[nH]ncc1NC(C)c2ccc(cc2)C fc9f5165263147d40a134112d25f19d2 [0,1,0,0,0,1|2,0,0]=4 230 B21R2.309065 CCOC(=O)c1[nH]ncc1N[C@@H](C)c2ccc(cc2)C 343c62234c9ac9c8791ec3ad0b79422b [0,1,0,0,0,1|2,0,0]=4 231 B21R2.309065 CCOC(=O)c1[nH]ncc1N[C@H](C)c2ccc(cc2)C d8c0cc4859b631202d694afaa0d2a24e [0,1,0,0,0,1|2,0,0]=4 232 B21R2.309065 CCOC(=O)c1cn[nH]c1NC(C)c2ccc(cc2)C 7530d837080f4959b635636b87837385 [0,1,0,0,0,1|2,0,0]=4 233 B21R2.309065 CCOC(=O)c1cn[nH]c1NC(C)c2ccc(cc2)O 74ee5947773baa53be479939e405ac45 [0,1,0,0,0,1|2,0,0]=4 234 B21R2.309065 CCOC(=O)c1cn[nH]c1N[C@@H](C)c2ccc(cc2)C 17b1d9a127c9615b896eda24055d2295 [0,1,0,0,0,1|2,0,0]=4 235 B21R2.309065 CCOC(=O)c1cn[nH]c1N[C@@H](C)c2ccc(cc2)F 18a9562de7843e3000fc0bfa8ea61389 [0,1,0,0,0,1|2,0,0]=4 236 B21R2.309065 CCOC(=O)c1cn[nH]c1N[C@@H](C)c2ccc(cc2)O 6f0d0ff7de130f13cf8a670114146006 [0,1,0,0,0,1|2,0,0]=4 237 B21R2.309065 CCOC(=O)c1cn[nH]c1N[C@H](C)c2ccc(cc2)C bfd3687fc485cbd44eefc2e806f20b15 [0,1,0,0,0,1|2,0,0]=4 238 B21R2.309065 CCOC(=O)c1cn[nH]c1N[C@H](C)c2ccc(cc2)F 092258037df00c794ab646b494a5d76a [0,1,0,0,0,1|2,0,0]=4 239 B21R2.309065 CCOC(=O)c1cn[nH]c1N[C@H](C)c2ccc(cc2)O f6ec572b1e265e4d3de225b54e41558a [0,1,0,0,0,1|2,0,0]=4 240 B21R2.309065 CCOC(=O)c1cn[nH]c1OC(C)c2ccc(cc2)Br 5a61a3341c4c891a4cbec1f1fdc382a5 [0,1,0,0,0,1|2,0,0]=4 241 B21R2.309065 CCOC(=O)c1cn[nH]c1OC(C)c2ccc(cc2)C c1913ef1ee140eaa44d5cb9807e69ff2 [0,1,0,0,0,1|2,0,0]=4 242 B21R2.309065 CCOC(=O)c1cn[nH]c1OC(C)c2ccc(cc2)Cl 036b1e6e67a37dd9d35cf4df49966dc2 [0,1,0,0,0,1|2,0,0]=4 243 B21R2.309065 CCOC(=O)c1cn[nH]c1OC(C)c2ccc(cc2)F 0c014d6b974209a59082f4964a931cb5 [0,1,0,0,0,1|2,0,0]=4 244 B21R2.309065 CCOC(=O)c1cnoc1NC(C)c2ccc(cc2)Br a17f658518020f46e59c9cce58b75d11 [0,1,0,0,0,1|2,0,0]=4 245 B21R2.309065 CCOC(=O)c1cnoc1NC(C)c2ccc(cc2)C 575fda040134486f8ffeb8dfec5662c7 [0,1,0,0,0,1|2,0,0]=4 246 B21R2.309065 CCOC(=O)c1cnoc1NC(C)c2ccc(cc2)Cl f1bf6931af6f0a8800691c2e6f2b457a [0,1,0,0,0,1|2,0,0]=4 247 B21R2.309065 CCOC(=O)c1cnoc1NC(C)c2ccc(cc2)F 67d45d054e151015551b774232c136f0 [0,1,0,0,0,1|2,0,0]=4 248 B21R2.309065 CCOC(=O)c1cnoc1OC(C)c2ccc(cc2)Br cb94bb178dce0484e8982b56d0c6ce5c [0,1,0,0,0,1|2,0,0]=4 249 B21R2.309065 CCOC(=O)c1cnoc1OC(C)c2ccc(cc2)C 4a6f7de9db63558968a8e08d28832152 [0,1,0,0,0,1|2,0,0]=4 250 B21R2.309065 CCOC(=O)c1cnoc1OC(C)c2ccc(cc2)Cl cd45162244008c58a631d74a10546252 [0,1,0,0,0,1|2,0,0]=4 251 B21R2.309065 CCOC(=O)c1cnoc1OC(C)c2ccc(cc2)F 626c9d74f07e8eba4c60b403bfc41a4e [0,1,0,0,0,1|2,0,0]=4 252 B21R2.319078 CCOC(=O)c1c(n[nH]c1NC(C)c2ccccc2)C def5e1f20d5abbdbfda2276791851b49 [0,1,0,0,0,1|2,0,0]=4 253 B21R2.319078 CCOC(=O)c1c(n[nH]c1NC(C)c2ccccc2)Cl d07136661380091e0419a879f3bed411 [0,1,0,0,0,1|2,0,0]=4 254 B21R2.319078 CCOC(=O)c1c(n[nH]c1N[C@@H](C)c2ccccc2)C 944003142f3d82953f3236bc4a0ab173 [0,1,0,0,0,1|2,0,0]=4 255 B21R2.319078 CCOC(=O)c1c(n[nH]c1N[C@@H](C)c2ccccc2)Cl c0033517ee833a4c27a969192e1093f7 [0,1,0,0,0,1|2,0,0]=4 256 B21R2.319078 CCOC(=O)c1c(n[nH]c1N[C@H](C)c2ccccc2)C a96758950964d61d842920b7e2239bd8 [0,1,0,0,0,1|2,0,0]=4 257 B21R2.319078 CCOC(=O)c1c(n[nH]c1N[C@H](C)c2ccccc2)Cl 89b83a7cdd7e34528eb8c3b25f28d555 [0,1,0,0,0,1|2,0,0]=4 258 B21R2.319078 CCOC(=O)c1c(noc1OC(C)c2ccccc2)C 0fd2df022c47643c9abe0b8c234afd09 [0,1,0,0,0,1|2,0,0]=4 259 B21R2.319078 CCOC(=O)c1c(noc1O[C@@H](C)c2ccccc2)C a7c705c10b96294d9ec2735bea340af8 [0,1,0,0,0,1|2,0,0]=4 260 B21R2.319078 CCOC(=O)c1c(noc1O[C@H](C)c2ccccc2)C c85f645bcd74de507c04e29c63968133 [0,1,0,0,0,1|2,0,0]=4 261 B21R2.321664 CCOC(=O)c1cn[nH]c1NC(C)c2ccccc2C a30b021bd4676029aae7e35a099ba335 [0,1,0,0,0,1|2,0,0]=4 262 B21R2.321664 CCOC(=O)c1cn[nH]c1NC(C)c2ccccc2F c1396574b206d77aed5bb12809f89d5d [0,1,0,0,0,1|2,0,0]=4 263 B21R2.321664 CCOC(=O)c1cn[nH]c1N[C@@H](C)c2ccccc2C b5e91a49381efcc554f9789d4711dae4 [0,1,0,0,0,1|2,0,0]=4 264 B21R2.321664 CCOC(=O)c1cn[nH]c1N[C@@H](C)c2ccccc2F 6a7aab3521a6fa2d0676fee335c9702e [0,1,0,0,0,1|2,0,0]=4 265 B21R2.321664 CCOC(=O)c1cn[nH]c1N[C@H](C)c2ccccc2C 81fcc692d93780c43462fd5cfa7f6a14 [0,1,0,0,0,1|2,0,0]=4 266 B21R2.321664 CCOC(=O)c1cn[nH]c1N[C@H](C)c2ccccc2F 88ce090f6220a8363a2bd91453db7307 [0,1,0,0,0,1|2,0,0]=4 267 B21R2.321664 CCOC(=O)c1cn[nH]c1OC(C)c2ccccc2Cl a37020bb54663d1722ca9810e8ec931e [0,1,0,0,0,1|2,0,0]=4 268 B21R2.321664 CCOC(=O)c1cn[nH]c1OC(C)c2ccccc2F 6d16f722b77756fa158a2331577248ad [0,1,0,0,0,1|2,0,0]=4 269 B21R2.321664 CCOC(=O)c1cnoc1NC(C)c2ccccc2Cl 5d6e0a81663dc4213610fcab78002ccb [0,1,0,0,0,1|2,0,0]=4 270 B21R2.321664 CCOC(=O)c1cnoc1NC(C)c2ccccc2F d5022c83181e28912ce8a0a4501424d4 [0,1,0,0,0,1|2,0,0]=4 271 B21R2.321664 CCOC(=O)c1cnoc1OC(C)c2ccccc2Cl 621258a55c14a2b4b33d6f5f281e30e0 [0,1,0,0,0,1|2,0,0]=4 272 B21R2.321664 CCOC(=O)c1cnoc1OC(C)c2ccccc2F 36a9b73e5dc540dc1558b35b49705d12 [0,1,0,0,0,1|2,0,0]=4 273 B21R2.321669 CCOC(=O)c1cn[nH]c1N[C@@H](CC)c2ccccc2 d12cdbdf5ea57d45fe8dccd096df13f9 [0,1,0,0,0,1|2,0,0]=4 274 B21R2.321669 CCOC(=O)c1cn[nH]c1N[C@H](CC)c2ccccc2 fdd6f2f04f3a7651631c61c2803c5dbb [0,1,0,0,0,1|2,0,0]=4 275 B21R2.321669 CCOC(=O)c1cn[nH]c1OC(CC)c2ccccc2 f2793d21055f0a614577c83042c24ff2 [0,1,0,0,0,1|2,0,0]=4 276 B21R2.321669 CCOC(=O)c1cnoc1NC(CC)c2ccccc2 bef7830cec6d41870490a1ac8d314ea4 [0,1,0,0,0,1|2,0,0]=4 277 B21R2.321669 CCOC(=O)c1cnoc1OC(CC)c2ccccc2 2aa2868caff9e5ba4e32db1b99ee687b [0,1,0,0,0,1|2,0,0]=4 278 B21R2.2272 C#CCCNC(=O)c1cncn1C(C)c2ccccc2 27554b0708d3dee7f11ae9b7ad9f8a93 [0,2,0,0,0,0|1,0,0]=3 279 B21R2.2272 C#CCCNC(=O)c1cncn1[C@H](C)c2ccccc2 561022b630c5e5492cce6df6ccbf1588 [0,2,0,0,0,0|1,0,0]=3 280 B21R2.2272 C=CCCNC(=O)c1cncn1C(C)c2ccccc2 ce5fe0873584a5561155a0a0a51198d1 [0,2,0,0,0,0|1,0,0]=3 281 B21R2.2272 C=CCCNC(=O)c1cncn1[C@H](C)c2ccccc2 65788c1f7376416f018bb9986c285c09 [0,2,0,0,0,0|1,0,0]=3 282 B21R2.2272 CC#CCNC(=O)c1cncn1C(C)c2ccccc2 5251efffe18dc3d7a5007836d37cab6f [0,2,0,0,0,0|1,0,0]=3 283 B21R2.2272 CC#CCNC(=O)c1cncn1[C@H](C)c2ccccc2 0c7853bedbe079fc48fd8f7adb7bfeb3 [0,2,0,0,0,0|1,0,0]=3 284 B21R2.2272 CC(c1ccccc1)n2cncc2C(=O)NCCC#N 7954841c16bdab74197fd85e7727ee0c [0,2,0,0,0,0|1,0,0]=3 285 B21R2.2272 CC(c1ccccc1)n2cncc2C(=O)NCCCCl 6354c19dad2288c4a00723f504a9cad9 [0,2,0,0,0,0|1,0,0]=3 286 B21R2.2272 CC(c1ccccc1)n2cncc2C(=O)NCCCO b559437c034ea9c381621f2c4c73f527 [0,2,0,0,0,0|1,0,0]=3 287 B21R2.2272 CC(c1ccccc1)n2cncc2C(=O)NCCON 1b29649d57943c17789b69883c54c1e2 [0,2,0,0,0,0|1,0,0]=3 288 B21R2.2272 CC=CCNC(=O)c1cncn1C(C)c2ccccc2 fb348c4651b17974b0bad02b2a138a32 [0,2,0,0,0,0|1,0,0]=3 289 B21R2.2272 CC=CCNC(=O)c1cncn1[C@H](C)c2ccccc2 23aa06cb1ca68a9742598e69d8857017 [0,2,0,0,0,0|1,0,0]=3 290 B21R2.2272 CCCCNC(=O)c1cncn1C(C)c2ccccc2 a8100b6ae08e263c2bf82163435ed6d0 [0,2,0,0,0,0|1,0,0]=3 291 B21R2.2272 CCCCNC(=O)c1cncn1[C@H](C)c2ccccc2 7a16a0d89627cba0a760bc0e794aa824 [0,2,0,0,0,0|1,0,0]=3 292 B21R2.2272 COCCNC(=O)c1cncn1C(C)c2ccccc2 51e6a86e5d58252b39dbde748f93e807 [0,2,0,0,0,0|1,0,0]=3 293 B21R2.2272 COCCNC(=O)c1cncn1[C@H](C)c2ccccc2 7b33641d5be1c3aa48e62db2c5be9b68 [0,2,0,0,0,0|1,0,0]=3 294 B21R2.2272 CSCCNC(=O)c1cncn1C(C)c2ccccc2 643c253baa90fcba154eb1ef3d789ab3 [0,2,0,0,0,0|1,0,0]=3 295 B21R2.2272 CSCCNC(=O)c1cncn1[C@H](C)c2ccccc2 ebad5818974c43511018b21c4d0d8051 [0,2,0,0,0,0|1,0,0]=3 296 B21R2.2272 C[C@H](c1ccccc1)n2cncc2C(=O)NCCC#N 89ecbfb72d30727691950bf5564fb5cd [0,2,0,0,0,0|1,0,0]=3 297 B21R2.2272 C[C@H](c1ccccc1)n2cncc2C(=O)NCCCCl 71326d3b6b01b12ed6a472d8c8ded1af [0,2,0,0,0,0|1,0,0]=3 298 B21R2.2272 C[C@H](c1ccccc1)n2cncc2C(=O)NCCCO f059016b03588ad668fd3c0880749e49 [0,2,0,0,0,0|1,0,0]=3 299 B21R2.2272 C[C@H](c1ccccc1)n2cncc2C(=O)NCCON fa47cf9c8ba50010a80a0faf1df8352b [0,2,0,0,0,0|1,0,0]=3 300 B21R2.16888 C#CC(C)NC(=O)c1cncn1C(C)c2ccccc2 91702a7c85bcbfebc367100298d41b70 [0,2,0,0,0,0|1,0,0]=3 301 B21R2.16888 C#CC(C)NC(=O)c1cncn1[C@H](C)c2ccccc2 100d6c2835b7e0b1bd16d2af4bed5757 [0,2,0,0,0,0|1,0,0]=3 302 B21R2.16888 C#C[C@@H](C)NC(=O)c1cncn1C(C)c2ccccc2 0de96a21335a1cbfa4f0a332c7ba74f9 [0,2,0,0,0,0|1,0,0]=3 303 B21R2.16888 C#C[C@@H](C)NC(=O)c1cncn1[C@H](C)c2ccccc2 1673e2ea77d5d1bd63e0750bb727d6ad [0,2,0,0,0,0|1,0,0]=3 304 B21R2.16888 C#C[C@H](C)NC(=O)c1cncn1C(C)c2ccccc2 bfa644c383fb7415687f17dba158619a [0,2,0,0,0,0|1,0,0]=3 305 B21R2.16888 C#C[C@H](C)NC(=O)c1cncn1[C@H](C)c2ccccc2 b420595a6e4f4d256aad0e72f69dbfaa [0,2,0,0,0,0|1,0,0]=3 306 B21R2.16888 C=CC(C)NC(=O)c1cncn1C(C)c2ccccc2 81d4f2c7f8b12521827667be5c8dfd53 [0,2,0,0,0,0|1,0,0]=3 307 B21R2.16888 C=CC(C)NC(=O)c1cncn1[C@H](C)c2ccccc2 71c879cd567e0a0627fef39c6b59af5c [0,2,0,0,0,0|1,0,0]=3 308 B21R2.16888 CC(C#N)NC(=O)c1cncn1C(C)c2ccccc2 6494af0ff8cbc20a8eb7989479ed95a6 [0,2,0,0,0,0|1,0,0]=3 309 B21R2.16888 CC(C#N)NC(=O)c1cncn1[C@H](C)c2ccccc2 824f632b3e8d46c97423a70a61ed96ef [0,2,0,0,0,0|1,0,0]=3 310 B21R2.16888 CC(CO)NC(=O)c1cncn1C(C)c2ccccc2 d760a8607b5508a4ce765c5ac4e0516b [0,2,0,0,0,0|1,0,0]=3 311 B21R2.16888 CC(CO)NC(=O)c1cncn1[C@H](C)c2ccccc2 a57bc7bd53add74ac7b6f66b0e15072d [0,2,0,0,0,0|1,0,0]=3 312 B21R2.16888 CC(c1ccccc1)n2cncc2C(=O)N[C@@H](C)CO 82d866c695ea375d0f85d4cb5c34d703 [0,2,0,0,0,0|1,0,0]=3 313 B21R2.16888 CC(c1ccccc1)n2cncc2C(=O)N[C@H](C)CO 83f0dd626f8aef5e9520088aa5b3f4c5 [0,2,0,0,0,0|1,0,0]=3 314 B21R2.16888 CCC(C)NC(=O)c1cncn1C(C)c2ccccc2 26cf6ead94e13f2bac3ea39786206d9f [0,2,0,0,0,0|1,0,0]=3 315 B21R2.16888 CCC(C)NC(=O)c1cncn1[C@H](C)c2ccccc2 c9fcca196be0b553ed939a2a6daac28c [0,2,0,0,0,0|1,0,0]=3 316 B21R2.16888 CC[C@@H](C)NC(=O)c1cncn1C(C)c2ccccc2 3cc6c2672750affbaf398122bab14b5d [0,2,0,0,0,0|1,0,0]=3 317 B21R2.16888 CC[C@@H](C)NC(=O)c1cncn1[C@H](C)c2ccccc2 1b08504c81538f1c16114e3db935c463 [0,2,0,0,0,0|1,0,0]=3 318 B21R2.16888 CC[C@H](C)NC(=O)c1cncn1C(C)c2ccccc2 3e7f64bc1d8f8465167563a03c5e31f7 [0,2,0,0,0,0|1,0,0]=3 319 B21R2.16888 CC[C@H](C)NC(=O)c1cncn1[C@H](C)c2ccccc2 28572dafcd058024b3244cba954c989e [0,2,0,0,0,0|1,0,0]=3 320 B21R2.16888 C[C@H](CO)NC(=O)c1cncn1[C@H](C)c2ccccc2 4935accacbd006670ad56df7e30d5213 [0,2,0,0,0,0|1,0,0]=3 321 B21R2.16888 C[C@H](c1ccccc1)n2cncc2C(=O)N[C@@H](C)CO 3306cbcec814853056778e3d767b8926 [0,2,0,0,0,0|1,0,0]=3 322 B21R2.39484 C=C(Br)CNC(=O)c1cncn1C(C)c2ccccc2 968ffadbbc20e43c1ea66cb9cc1ac4f4 [0,2,0,0,0,0|1,0,1]=4 323 B21R2.39484 C=C(Br)CNC(=O)c1cncn1[C@H](C)c2ccccc2 84bb6c7084ad1fc273156ef17bf181fc [0,2,0,0,0,0|1,0,1]=4 324 B21R2.39484 C=C(C)CNC(=O)c1cncn1C(C)c2ccccc2 7663662154eb8c3164eb864583eb375c [0,2,0,0,0,0|1,0,0]=3 325 B21R2.39484 C=C(C)CNC(=O)c1cncn1[C@H](C)c2ccccc2 0925ccb1e3b8bb9bcf27ae93533f9a09 [0,2,0,0,0,0|1,0,0]=3 326 B21R2.39484 CC(=O)CNC(=O)c1cncn1C(C)c2ccccc2 5b2d6ab95fbd49e60a6a2defdec1e720 [0,2,0,0,0,0|1,0,0]=3 327 B21R2.39484 CC(=O)CNC(=O)c1cncn1[C@H](C)c2ccccc2 65562c93f16c8985ef078fa2a7d3c90a [0,2,0,0,0,0|1,0,0]=3 328 B21R2.39484 CC(C)CNC(=O)c1cncn1C(C)c2ccccc2 5944d56acfb6e85a371bf882438d7874 [0,2,0,0,0,0|1,0,0]=3 329 B21R2.39484 CC(C)CNC(=O)c1cncn1[C@H](C)c2ccccc2 603e31c63c2f7733855a3308fb0d3de4 [0,2,0,0,0,0|1,0,0]=3 330 B21R2.39484 CC(O)CNC(=O)c1cncn1C(C)c2ccccc2 e4377db1729d34e30de69a2ef5005d8e [0,2,0,0,0,0|1,0,0]=3 331 B21R2.39484 CC(O)CNC(=O)c1cncn1[C@H](C)c2ccccc2 f143dde4a5558da1778886a04fdfb74f [0,2,0,0,0,0|1,0,0]=3 332 B21R2.39484 CC(c1ccccc1)n2cncc2C(=O)NCC(=O)N e2558910530cfb7cd4e3299a7c311efd [0,2,0,0,0,0|1,0,1]=4 333 B21R2.39484 CC(c1ccccc1)n2cncc2C(=O)NCC(F)F 86b7db1ed78a145043280f504af6541e [0,2,0,0,0,0|1,0,0]=3 334 B21R2.39484 CC(c1ccccc1)n2cncc2C(=O)NC[C@@H](C)O 50cb02084e11231f4d8453c59bd7627e [0,2,0,0,0,0|1,0,0]=3 335 B21R2.39484 CC(c1ccccc1)n2cncc2C(=O)NC[C@H](C)O 646b5fa409312d3435351f9251def085 [0,2,0,0,0,0|1,0,0]=3 336 B21R2.39484 C[C@H](O)CNC(=O)c1cncn1[C@H](C)c2ccccc2 7aa5130b67bc482973e6ca68583525e7 [0,2,0,0,0,0|1,0,0]=3 337 B21R2.39484 C[C@H](c1ccccc1)n2cncc2C(=O)NCC(=O)N 4f5963a8cbaa8f311c1db3fdb71dd826 [0,2,0,0,0,0|1,0,1]=4 338 B21R2.39484 C[C@H](c1ccccc1)n2cncc2C(=O)NCC(F)F 91cb4e38d7b7f97a974b59fd1359ab39 [0,2,0,0,0,0|1,0,0]=3 339 B21R2.39484 C[C@H](c1ccccc1)n2cncc2C(=O)NC[C@@H](C)O c8d4353c869cf4eaccff88187423b22c [0,2,0,0,0,0|1,0,0]=3 340 B19R2.9305 CCCc1ccnc(n1)NC(C)c2ccccc2 de39f96092853ad132529aacd3e434f0 [0,0,1,1,0,0|2,0,0]=4 341 B19R2.9305 CCCc1ccnc(n1)N[C@@H](C)c2ccccc2 148dfa9ad8df6496da9af8cc622beb22 [0,0,1,1,0,0|2,0,0]=4 342 B19R2.9305 CCCc1ccnc(n1)N[C@H](C)c2ccccc2 d4a75589f4809b33c286a64ec02c4241 [0,0,1,1,0,0|2,0,0]=4 343 B19R2.9305 CCOc1cccc(c1)NC(C)c2ccccc2 23afe2bc3785f9f018792d22f365a7f1 [0,0,1,1,0,0|2,0,0]=4 344 B19R2.9305 CCOc1cccc(c1)N[C@@H](C)c2ccccc2 2b6de15bcbf6542fab5b3aa66f2a0633 [0,0,1,1,0,0|2,0,0]=4 345 B19R2.9305 CCOc1cccc(c1)N[C@H](C)c2ccccc2 44b3805553585c2e1754bc00cb2bc596 [0,0,1,1,0,0|2,0,0]=4 346 B19R2.9305 CCOc1cccc(n1)NC(C)c2ccccc2 51e3ed0d579b0f33d78f445e2c7b7426 [0,0,1,1,0,0|2,0,0]=4 347 B19R2.9305 CCOc1cccc(n1)N[C@@H](C)c2ccccc2 f44c38ec1436d6d66e31b992eb90b2fb [0,0,1,1,0,0|2,0,0]=4 348 B19R2.9305 CCOc1cccc(n1)N[C@H](C)c2ccccc2 f4382c60a1253f9200e713f588eef648 [0,0,1,1,0,0|2,0,0]=4 349 B19R2.9305 CCOc1ccnc(c1)NC(C)c2ccccc2 d13ff872f23d0d7e9bc089b8ec18b447 [0,0,1,1,0,0|1,0,0]=3 350 B19R2.9305 CCOc1ccnc(c1)NC(C)c2ccccn2 e5496c20801a79a209d733343ce2048e [0,0,1,1,0,0|2,0,0]=4 351 B19R2.9305 CCOc1ccnc(c1)NC(C)c2ccncc2 4620a97c8ad0c293f2f1a54c8cc7c1f8 [0,0,1,1,0,0|2,0,0]=4 352 B19R2.9305 CCOc1ccnc(c1)N[C@@H](C)c2ccccc2 36e3bed79d9116fc19c1099c2c89dc1a [0,0,1,1,0,0|1,0,0]=3 353 B19R2.9305 CCOc1ccnc(c1)N[C@@H](C)c2ccccn2 7d772e29ba21f7516b96012eeab466f1 [0,0,1,1,0,0|2,0,0]=4 354 B19R2.9305 CCOc1ccnc(c1)N[C@@H](C)c2ccncc2 add93dfc246b3050da0f4d2a4398ef39 [0,0,1,1,0,0|2,0,0]=4 355 B19R2.9305 CCOc1ccnc(c1)N[C@H](C)c2ccccc2 67177dfa148e66ef2ee2c64319771299 [0,0,1,1,0,0|1,0,0]=3 356 B19R2.9305 CCOc1ccnc(c1)N[C@H](C)c2ccccn2 550f29e041142280c3fdc7ba5e435936 [0,0,1,1,0,0|2,0,0]=4 357 B19R2.9305 CCOc1ccnc(c1)N[C@H](C)c2ccncc2 6e9bbc325aae00124121c0cbf37e0cc6 [0,0,1,1,0,0|2,0,0]=4 358 B19R2.9305 CCOc1ccnc(n1)NC(C)c2ccccc2 cf3a6fd943d5774aba4742dac8670102 [0,0,1,1,0,0|1,0,0]=3 359 B19R2.9305 CCOc1ccnc(n1)NC(C)c2ccccn2 81837e72e579be465bc0c34fb1fc2854 [0,0,1,1,0,0|2,0,0]=4 360 B19R2.9305 CCOc1ccnc(n1)NC(C)c2cccnc2 53b9fbb441540e34230c6ab8c99c91ff [0,0,1,1,0,0|2,0,0]=4 361 B19R2.9305 CCOc1ccnc(n1)NC(C)c2ccncc2 777e7f8d0807ce603cb225db304c000c [0,0,1,1,0,0|2,0,0]=4 362 B19R2.9305 CCOc1ccnc(n1)N[C@@H](C)c2ccccc2 81c57e726b84648f9ff2874f9dbbc636 [0,0,1,1,0,0|1,0,0]=3 363 B19R2.9305 CCOc1ccnc(n1)N[C@@H](C)c2ccccn2 2c5e1cf0fefc39d2cdbb82825c82445f [0,0,1,1,0,0|2,0,0]=4 364 B19R2.9305 CCOc1ccnc(n1)N[C@@H](C)c2cccnc2 025d1b089fb7610d960bfc9f5da46f9f [0,0,1,1,0,0|2,0,0]=4 365 B19R2.9305 CCOc1ccnc(n1)N[C@@H](C)c2ccncc2 b67ae34747fff2a370c071841c74d742 [0,0,1,1,0,0|2,0,0]=4 366 B19R2.9305 CCOc1ccnc(n1)N[C@H](C)c2ccccc2 2bf87024596ca0ed4632527c85e06f9a [0,0,1,1,0,0|1,0,0]=3 367 B19R2.9305 CCOc1ccnc(n1)N[C@H](C)c2ccccn2 7da6d75ac1e084c6b0e979987b919f7c [0,0,1,1,0,0|2,0,0]=4 368 B19R2.9305 CCOc1ccnc(n1)N[C@H](C)c2cccnc2 95a9b8d529b77df4f34718db2e16202d [0,0,1,1,0,0|2,0,0]=4 369 B19R2.9305 CCOc1ccnc(n1)N[C@H](C)c2ccncc2 62e71e307056671530dc08ef136d3724 [0,0,1,1,0,0|2,0,0]=4 370 B19R2.10535 CCOC(=O)C=CCCN1CC1c2ccccc2 c86297177b97c57ef91112e95de01dc2 [0,0,1,1,0,0|1,0,1]=4 371 B19R2.10535 CCOC(=O)C=CCCN1C[C@@H]1c2ccccc2 aad3362b5dd0c69514a528c1830244f9 [0,0,1,1,0,0|1,0,1]=4 372 B19R2.9461 CCOc1ccncc1NC(C)c2ccccn2 d1804d6e27e6be1cdf4bb63104feec3f [0,0,1,1,0,0|2,0,0]=4 373 B21R3.26679 CCOC(=O)c1cn[nH]c1OC2Cc3c2cccc3 3e6dbf1777179b566e5511b2ed1288ac [0,0,0,1,0,1|2,0,0]=4 374 B21R3.26679 CCOC(=O)c1cnoc1NC2Cc3c2cccc3 88c2665322d0a6efba97caf1d30b4b91 [0,0,0,1,0,1|2,0,0]=4 375 B21R3.2568269 CC(c1ccccc1)n2cncc2C(=O)NC3CC3 bfe80a6f01742ae42c97df4b679eea01 [0,1,0,1,0,0|1,0,0]=3 376 B21R3.2568269 C[C@H](c1ccccc1)n2cncc2C(=O)NC3CC3 684062517f9712c50f6963445c7e2962 [0,1,0,1,0,0|1,0,0]=3 377 B21R3.2568387 CC(c1ccccc1)n2cncc2C(=O)N3CCC3 a4dfd7fe2a38161e7f86dbee47325f5b [0,1,0,1,0,0|1,0,0]=3 378 B21R3.2568387 C[C@H](c1ccccc1)n2cncc2C(=O)N3CCC3 f43999194279eeecf2d8814ed892cd89 [0,1,0,1,0,0|1,0,0]=3 379 B17R1.956 CCOC(=O)/C=C/CNC(C)c1ccccn1 47665f9f419b7d033c8075a9963d9604 [0,0,1,0,1,0|1,0,1]=4 380 B17R1.956 CCOC(=O)/C=C/CNC(C)c1cccnc1 4d240ca2cb93b6dbe2b0a78725d06d53 [0,0,1,0,1,0|1,0,1]=4 381 B17R1.956 CCOC(=O)/C=C/CNC(C)c1ccncc1 8ceab8f2bd3cb32ce43134c4fe91f44a [0,0,1,0,1,0|1,0,1]=4 382 B17R1.956 CCOC(=O)/C=C/CN[C@@H](C)c1ccccn1 9cc2ebbd7560164e1af7f6f1b24e36d3 [0,0,1,0,1,0|1,0,1]=4 383 B17R1.956 CCOC(=O)/C=C/CN[C@@H](C)c1cccnc1 15fcabc5ef015a3ed181ac8acd5b39f7 [0,0,1,0,1,0|1,0,1]=4 384 B17R1.956 CCOC(=O)/C=C/CN[C@@H](C)c1ccncc1 149ead6399d4504ba7a36a3fd907e101 [0,0,1,0,1,0|1,0,1]=4 385 B17R1.956 CCOC(=O)/C=C/CN[C@H](C)c1ccccn1 7310ea8559c80a099c54c126d37e1bc3 [0,0,1,0,1,0|1,0,1]=4 386 B17R1.956 CCOC(=O)/C=C/CN[C@H](C)c1cccnc1 9c736239583a2168c6fd2adfe94fe993 [0,0,1,0,1,0|1,0,1]=4 387 B17R1.956 CCOC(=O)/C=C/CN[C@H](C)c1ccncc1 1b6aa5d3bba842f512e82732cb3b3a29 [0,0,1,0,1,0|1,0,1]=4 388 B17R1.956 CCOC(=O)C=CCNC(C)c1ccccn1 d4439975e1b71bc572a999ed7e7a1639 [0,0,1,0,1,0|1,0,1]=4 389 B17R1.956 CCOC(=O)C=CCNC(C)c1cccnc1 cbbc6a539913c2625cebf6e432d1cf66 [0,0,1,0,1,0|1,0,1]=4 390 B17R1.956 CCOC(=O)C=CCNC(C)c1ccncc1 03fa206d148970111f364e476b148bad [0,0,1,0,1,0|1,0,1]=4 391 B17R1.956 CCOC(=O)C=CCN[C@@H](C)c1ccccn1 56e3bc4634afe96d79f0376e416946fe [0,0,1,0,1,0|1,0,1]=4 392 B17R1.956 CCOC(=O)C=CCN[C@@H](C)c1cccnc1 20821c6e43e0212f44f64de2a8efcc8b [0,0,1,0,1,0|1,0,1]=4 393 B17R1.956 CCOC(=O)C=CCN[C@@H](C)c1ccncc1 9f9fdf54d6ff49ffcd07c8ab28a14cd7 [0,0,1,0,1,0|1,0,1]=4 394 B17R1.956 CCOC(=O)C=CCN[C@H](C)c1ccccn1 272b988e6a8ab014f2fdc59eda3cb995 [0,0,1,0,1,0|1,0,1]=4 395 B17R1.956 CCOC(=O)C=CCN[C@H](C)c1cccnc1 b28a45254d7e97557d895c42b8c7aa54 [0,0,1,0,1,0|1,0,1]=4 396 B17R1.956 CCOC(=O)C=CCN[C@H](C)c1ccncc1 a18fd4fd923435d6cf7e3b332bcca22a [0,0,1,0,1,0|1,0,1]=4 397 B17R2.179 CCNC(=O)c1cccn1c2ccccc2 a33dbd352c253b52c18b2f40c734cd68 [1,0,0,0,1,0|2,0,0]=4 398 B17R2.179 CCOC(=O)c1[nH]ncc1c2ccccc2 3687f246e12fa3d1a3250e789a2f7504 [1,0,0,0,1,0|2,0,0]=4 399 B17R2.179 CCOC(=O)c1cccn1c2cccnc2 8520ce14db995946118b028c28a98c5b [1,0,0,0,1,0|2,0,0]=4 400 B17R2.179 CCOC(=O)c1cn[nH]c1c2ccccc2 aa3d88096815f7b925384901d3c3dde4 [1,0,0,0,1,0|2,0,0]=4 401 B17R2.179 CCOC(=O)c1cscc1c2ccccc2 de36b51e8b86ee1f0105124a7b5c749a [1,0,0,0,1,0|2,0,0]=4 402 B17R2.179 CCOC(=O)c1sncc1c2ccccc2 828b8cd7153e332c9caae116e8b80d21 [1,0,0,0,1,0|2,0,0]=4 403 B19R1.731 CCOC(=O)/C=C/CCCNC(C)c1ccccc1 681abce26c8b6ac8664350cab606008b [0,0,1,0,0,1|1,0,1]=4 404 B19R1.731 CCOC(=O)/C=C/CCCN[C@@H](C)c1ccccc1 54fc100d02b276d0319e23ffc5971250 [0,0,1,0,0,1|1,0,1]=4 405 B19R1.731 CCOC(=O)/C=C/CCCN[C@H](C)c1ccccc1 d5b1062c42572194bffdb225b7134fe2 [0,0,1,0,0,1|1,0,1]=4 406 B19R1.731 CCOC(=O)C=CCCNCC(C)c1ccccc1 cda40950babcda0cb56354df06ccb69c [0,0,1,0,0,1|1,0,1]=4 407 B19R1.731 CCOC(=O)C=CCCNC[C@@H](C)c1ccccc1 75326607f29f25233417d2d178f6cb78 [0,0,1,0,0,1|1,0,1]=4 408 B19R1.731 CCOC(=O)C=CCCNC[C@H](C)c1ccccc1 a2f9736963145f802521a31d317bc7e8 [0,0,1,0,0,1|1,0,1]=4 409 B19R2.268 CCOC(=O)c1cncc(c1)Nc2ccccc2 ac0232ac509f8a75adab6a64210333db [1,0,0,0,0,1|2,0,0]=4 410 B19R2.268 CCOC(=O)c1cncc(n1)Nc2ccccc2 dab541b93565e554b75c4ceb282889af [1,0,0,0,0,1|2,0,0]=4 411 B19R2.10501 CCOC(=O)c1ccncc1Nc2ccccc2 2404ab93ab194dd6b698790cae2c6f6a [1,0,0,0,0,1|2,0,0]=4 412 B19R2.10501 CCOC(=O)c1cnccc1Nc2ccccc2 004315685fd9bbdb823dbacacfd6699a [1,0,0,0,0,1|2,0,0]=4 413 B19R2.10501 CCOC(=O)c1cncnc1Nc2ccccc2 ebc4553d482319817c6be7586ba403df [1,0,0,0,0,1|2,0,0]=4 414 B19R2.10501 CCOC(=O)c1ncncc1Nc2ccccc2 3af298bada921698ec312a0ec8c7ede9 [1,0,0,0,0,1|2,0,0]=4 415 B19R2.10721 CCOC(=O)c1cn[nH]c1OCc2ccccc2 c8eea1020877ce53268692847994fd6f [1,0,0,0,0,1|2,0,0]=4 416 B19R2.10721 CCOC(=O)c1cnoc1CNc2ccccc2 6109657e210c708c1ea92cb801b749c4 [1,0,0,0,0,1|2,0,0]=4 417 B19R2.10721 CCOC(=O)c1cnoc1NCc2ccccc2 ed7903a7e325f9cd605ce2481d48cfd2 [1,0,0,0,0,1|2,0,0]=4 418 B19R2.10721 CCOC(=O)c1cnoc1OCc2ccccc2 b4f0de30c2b1a9d9e52b777228383c50 [1,0,0,0,0,1|2,0,0]=4 419 B19R2.12690 COC(=O)c1cncc(c1)N(C)c2ccccc2 cfc779169a70add3150287f9da619806 [1,0,0,0,0,1|2,0,0]=4 420 B19R2.12761 COC(=O)c1ccncc1N(C)c2ccccc2 b0084e060c83b312b07d48052ea8d7ff [1,0,0,0,0,1|2,0,0]=4 421 B19R2.12761 COC(=O)c1cnccc1N(C)c2ccccc2 fd6b89560b00e615f8ab9cfe8f3aa203 [1,0,0,0,0,1|2,0,0]=4 422 B19R2.12761 COC(=O)c1cncnc1N(C)c2ccccc2 6a69c069ac685cec2bda905a9bc609e4 [1,0,0,0,0,1|2,0,0]=4 423 B19R2.12875 COC(=O)c1cscc1OC(C)c2ccccc2 7fee6f4c455aa54a136ffabf4728e702 [1,0,0,0,0,1|2,0,0]=4 424 B19R2.12875 COC(=O)c1cscc1O[C@@H](C)c2ccccc2 cf67783eada5b1710983fcccf5852547 [1,0,0,0,0,1|2,0,0]=4 425 B19R2.12875 COC(=O)c1cscc1O[C@H](C)c2ccccc2 9990ef10d79f35642561d9359265ce25 [1,0,0,0,0,1|2,0,0]=4 426 B19R2.10578 CCOC(=O)c1cnc(o1)N(C)c2ccccc2 7692878fd7a9462b7ce938f73f812745 [0,0,0,0,1,1|2,0,0]=4 427 B21R2.489059 CCOC(=O)CNc1ccnn1C(C)c2ccccc2 822a8cf2e4bca1e91ace5ca4e9b88530 [0,0,0,0,0,2|2,0,0]=4 428 B21R2.17418 CCOC(=O)c1cccc(c1)NC(C)c2ccccc2 1f410762a24ba0e2ff95a11d7220b60e [0,0,0,0,0,2|2,0,0]=4 429 B21R2.17418 CCOC(=O)c1cccc(c1)N[C@@H](C)c2ccccc2 dda5e19a35884c5d44d1bb0aa1432798 [0,0,0,0,0,2|2,0,0]=4 430 B21R2.17418 CCOC(=O)c1cccc(c1)N[C@H](C)c2ccccc2 0f9dd5641c1c979365e4f9eeb36a1f00 [0,0,0,0,0,2|2,0,0]=4 431 B21R2.17418 CCOC(=O)c1cccc(c1)OC(C)c2ccccc2 6180b9f6971b12f677657d293f203543 [0,0,0,0,0,2|2,0,0]=4 432 B21R2.17418 CCOC(=O)c1cccc(c1)O[C@@H](C)c2ccccc2 2445974e9fac74cf1f4cd8140d6bc6d3 [0,0,0,0,0,2|2,0,0]=4 433 B21R2.17418 CCOC(=O)c1cccc(c1)O[C@H](C)c2ccccc2 6cec398e4ecc9fd321af109b5fb51245 [0,0,0,0,0,2|2,0,0]=4 434 B21R2.17418 CCOC(=O)c1cncc(c1)NC(C)c2ccncc2 7032161041a2c5faf9d5e836ddff5b55 [0,0,0,0,0,2|2,0,0]=4 435 B21R2.17418 CCOC(=O)c1cncc(c1)N[C@@H](C)c2ccncc2 885393dec6db584073f850201ff9dbe8 [0,0,0,0,0,2|2,0,0]=4 436 B21R2.17418 CCOC(=O)c1cncc(c1)N[C@H](C)c2ccncc2 a2dddb74bbf7a30c22059cbf5d0d0b47 [0,0,0,0,0,2|2,0,0]=4 437 B21R2.17418 CCOC(=O)c1cncc(n1)NC(C)c2ccccn2 bfd78dfb3da5e455a84f74593c9a3c56 [0,0,0,0,0,2|2,0,0]=4 438 B21R2.17418 CCOC(=O)c1cncc(n1)NC(C)c2ccncc2 3eea85f12a1d81d4a5644e7e41d0230a [0,0,0,0,0,2|2,0,0]=4 439 B21R2.17418 CCOC(=O)c1cncc(n1)N[C@@H](C)c2ccccn2 79eb856b8ec8429077bc8cbb448af785 [0,0,0,0,0,2|2,0,0]=4 440 B21R2.17418 CCOC(=O)c1cncc(n1)N[C@@H](C)c2ccncc2 7da9fe959dfe6ab6d39569cece1247a7 [0,0,0,0,0,2|2,0,0]=4 441 B21R2.17418 CCOC(=O)c1cncc(n1)N[C@H](C)c2ccccn2 0a4e04fc890d42fc1df424089a6b75a7 [0,0,0,0,0,2|2,0,0]=4 442 B21R2.17418 CCOC(=O)c1cncc(n1)N[C@H](C)c2ccncc2 3e733eb360cce2f8ae0a7b81ce627c55 [0,0,0,0,0,2|2,0,0]=4 443 B21R2.17583 CCOC(=O)c1cncnc1N(C)Cc2ccccc2 84f5b430e877b948579b1fa95dd4c49b [0,0,0,0,0,2|2,0,0]=4 444 B21R2.17607 CCOC(=O)c1ccccc1OC(C)c2ccccc2 b36614803e9ee92dc040865dd5392ef0 [0,0,0,0,0,2|2,0,0]=4 445 B21R2.17607 CCOC(=O)c1ccccc1O[C@@H](C)c2ccccc2 ad7529794b52c5f03948eddb79f3450e [0,0,0,0,0,2|2,0,0]=4 446 B21R2.17607 CCOC(=O)c1ccccc1O[C@H](C)c2ccccc2 55d8fb677525d8b0c1961e50ea6c5705 [0,0,0,0,0,2|2,0,0]=4 447 B21R2.17607 CCOC(=O)c1ccncc1NC(C)c2ccccn2 7c6ae85f4037a7c28711ae2716ed8c23 [0,0,0,0,0,2|2,0,0]=4 448 B21R2.17607 CCOC(=O)c1ccnnc1OC(C)c2ccccc2 4b74d902be14c5e60c36cb14eefc4768 [0,0,0,0,0,2|2,0,0]=4 449 B21R2.17607 CCOC(=O)c1ccnnc1O[C@@H](C)c2ccccc2 178afdbc083edb896a8388fc3c0af235 [0,0,0,0,0,2|2,0,0]=4 450 B21R2.17607 CCOC(=O)c1ccnnc1O[C@H](C)c2ccccc2 9a0904afd8e12cab34febb94a96c931a [0,0,0,0,0,2|2,0,0]=4 451 B21R2.17607 CCOC(=O)c1cnccc1NC(C)c2ccccn2 a23862452a444b28aee3283fd18f7ad2 [0,0,0,0,0,2|2,0,0]=4 452 B21R2.17607 CCOC(=O)c1cnccc1N[C@@H](C)c2ccccn2 1243393faf1022dd8c731276e07c293e [0,0,0,0,0,2|2,0,0]=4 453 B21R2.17607 CCOC(=O)c1cnccc1N[C@H](C)c2ccccn2 174189d3a58a78458eec899101b016c1 [0,0,0,0,0,2|2,0,0]=4 454 B21R2.17607 CCOC(=O)c1cnccc1OC(C)c2ccccc2 831992d0d952834ce1c907b003f90b8a [0,0,0,0,0,2|1,0,0]=3 455 B21R2.17607 CCOC(=O)c1cnccc1OC(C)c2ccccn2 88b6f53e3da352c9e2052b4c742a378e [0,0,0,0,0,2|2,0,0]=4 456 B21R2.17607 CCOC(=O)c1cnccc1O[C@@H](C)c2ccccc2 f89ab2eee23030a6a0c4382b613c3c45 [0,0,0,0,0,2|1,0,0]=3 457 B21R2.17607 CCOC(=O)c1cnccc1O[C@H](C)c2ccccc2 487ff447a455549c965a7867febe5006 [0,0,0,0,0,2|1,0,0]=3 458 B21R2.17607 CCOC(=O)c1cncnc1NC(C)c2ccccn2 423a8316170bbcff842234a9cb9b6354 [0,0,0,0,0,2|2,0,0]=4 459 B21R2.17607 CCOC(=O)c1cncnc1NC(C)c2cccnc2 2eb116a790addf6a5e1f18a83e357f9a [0,0,0,0,0,2|2,0,0]=4 460 B21R2.17607 CCOC(=O)c1cncnc1NC(C)c2ccncc2 e745b26f3b59ce74ef07cf1598c35fac [0,0,0,0,0,2|2,0,0]=4 461 B21R2.17607 CCOC(=O)c1cncnc1N[C@@H](C)c2ccccn2 d70ff44e22e14eb2166dc1d783a19c79 [0,0,0,0,0,2|2,0,0]=4 462 B21R2.17607 CCOC(=O)c1cncnc1N[C@@H](C)c2cccnc2 e3485a05dc3fbddfb590dcd22ec34d57 [0,0,0,0,0,2|2,0,0]=4 463 B21R2.17607 CCOC(=O)c1cncnc1N[C@@H](C)c2ccncc2 b4c1144d8cf1c881e47e979c76164cf2 [0,0,0,0,0,2|2,0,0]=4 464 B21R2.17607 CCOC(=O)c1cncnc1N[C@H](C)c2ccccn2 f7c8e1b014817bf7e19ef4672e7ad4ff [0,0,0,0,0,2|2,0,0]=4 465 B21R2.17607 CCOC(=O)c1cncnc1N[C@H](C)c2cccnc2 3151c563646ccf094e46cc2b346502ad [0,0,0,0,0,2|2,0,0]=4 466 B21R2.17607 CCOC(=O)c1cncnc1N[C@H](C)c2ccncc2 12f4fe6e5adbf889e249cadae88ed04f [0,0,0,0,0,2|2,0,0]=4 467 B21R2.17796 CCOC(=O)c1cn[nH]c1OC(C)Cc2ccccc2 33e96c6239731381ecd2e3a894e949bf [0,0,0,0,0,2|2,0,0]=4 468 B21R2.17808 CCOC(=O)c1cn[nH]c1OCC(C)c2ccccc2 a0e1e971a726bdb4cf854b6a20544068 [0,0,0,0,0,2|2,0,0]=4 469 B21R2.17808 CCOC(=O)c1cn[nH]c1OC[C@@H](C)c2ccccc2 0e31dc004d6aeaf9b4133df1ab270e7a [0,0,0,0,0,2|2,0,0]=4 470 B21R2.17808 CCOC(=O)c1cnoc1NCC(C)c2ccccc2 21b5f209154eb0ea1e83ebf865b1eb51 [0,0,0,0,0,2|2,0,0]=4 471 B21R2.17808 CCOC(=O)c1cnoc1NC[C@@H](C)c2ccccc2 0c46f9406b34b1c2f299b4b80a719227 [0,0,0,0,0,2|2,0,0]=4 472 B21R2.17808 CCOC(=O)c1cnoc1OCC(C)c2ccccc2 837ed4330868d86ac1e77056fdccdb7b [0,0,0,0,0,2|2,0,0]=4 473 B21R2.17808 CCOC(=O)c1cnoc1OC[C@@H](C)c2ccccc2 8ac0f5db3be26cf9b5ef0235e37f4b91 [0,0,0,0,0,2|2,0,0]=4