0 B7R0.9 CC(=O)NC(C)(C)C a1c7999946c2b3954cecc4a7e85b6160 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.5 CC(C)(C)NC=O fd731f01e449e88bdf1e84dfcee6c8d2 [1,0,0,0,0,0|2,0,0]=3 2 B8R0.24 C#CC(=O)NC(C)(C)C d6ff5371880b34b198032854cc637c09 [0,1,0,0,0,0|3,0,0]=4 3 B8R0.24 C=CC(=O)NC(C)(C)C 8353e28f0dbb50f436e41440f7cc5cd3 [0,1,0,0,0,0|3,0,0]=4 4 B8R0.24 CC(C)(C)NC(=O)C=O bede45ff0da5a715803e62f9f77379fa [0,1,0,0,0,0|2,0,1]=4 5 B8R0.24 CC(C)(C)NC(=O)CF eaf2c955300b2105c1bb32d1cd07b20a [0,1,0,0,0,0|3,0,0]=4 6 B8R0.24 CC(C)(C)NC(=O)CO 036f0d5d96292df8d1908352e5576a0c [0,1,0,0,0,0|2,0,1]=4 7 B8R0.24 CCC(=O)NC(C)(C)C 26a2f5ebe28b3d4c326c1e70f6823a38 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.24 CN(C=O)CC(C)(C)C b86d4bfdd886ac2d0236a96b2ef1d46b [0,1,0,0,0,0|3,0,0]=4 9 B8R0.27 CC(=O)N(C)C(C)(C)C f5cb8b84b627b76eea961cbcd81ccc09 [0,1,0,0,0,0|3,0,0]=4 10 B8R0.34 CC(=O)NC(C)(C)CF a18ff32a5fc0bc819ab72e44d96d3946 [0,1,0,0,0,0|3,0,0]=4 11 B8R0.34 CC(=O)NC(C)(C)CO 79003794ec6500404906022922bddeef [0,1,0,0,0,0|3,0,0]=4 12 B8R0.34 CCC(C)(C)NC(=O)C 840c3fecba24f983e5795d9efa511b8c [0,1,0,0,0,0|3,0,0]=4 13 B8R1.77 CC(=O)N1CC1(C)C 590117534e705036bf11af3121bac41b [0,0,0,1,0,0|3,0,0]=4 14 B8R0.29 C=C(Br)CNC(C)(C)C 03c10b3b58c624a095332e2c0a28dab7 [0,0,0,0,0,1|3,0,0]=4 15 B8R0.29 C=C(C)CNC(C)(C)C b99c45fd81c788cbba88aea38bfb17b6 [0,0,0,0,0,1|3,0,0]=4 16 B8R0.29 C=C(Cl)CNC(C)(C)C 79f451f7f17b60776015f1652534006a [0,0,0,0,0,1|3,0,0]=4 17 B8R0.29 C=C(F)CNC(C)(C)C e89e00913946554fd584c510ed9b1431 [0,0,0,0,0,1|3,0,0]=4 18 B8R0.29 CC(=O)NCC(C)(C)C 9462e7ac263ac589a01977b5f7e527a7 [0,0,0,0,0,1|2,0,0]=3 19 B8R0.29 CC(=O)NCC(C)(C)O ac59c5875c8df765f15b4c858063fbc9 [0,0,0,0,0,1|3,0,0]=4 20 B8R0.29 CC(C)(C)NCC(=O)N bc7ea50a25eec83821fcbddcdcab7596 [0,0,0,0,0,1|2,0,0]=3 21 B8R0.29 CC(C)(C)NCC(=O)O 139b26a0be92451287fa1082e3371d98 [0,0,0,0,0,1|1,0,1]=3 22 B8R0.29 CC(C)(C)NC[N+](=O)[O-] 3c68d5f0f0b4ba1cc4df74dbe2c425ba [0,0,0,0,0,1|2,0,0]=3 23 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [1,1,0,0,0,0|1,0,1]=4 24 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [1,1,0,0,0,0|0,0,2]=4 25 B7R0.2 CCN(C)C[N+](=O)[O-] 1747c815c0bddd9b3eea2e8a91b60fbe [1,1,0,0,0,0|1,0,1]=4 26 B7R0.2 CN(CF)CC(=O)N 35f09c99eb4485b888503c93a96568a5 [1,1,0,0,0,0|1,0,1]=4 27 B7R0.2 CN(CF)CC(=O)O 7d1eb1d71c500640f6029a70869bff49 [1,1,0,0,0,0|0,0,2]=4 28 B7R0.2 CN(CO)CC(=O)N 731e626c7cf4b35c02c8b97f3321d2b5 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.2 CN(CO)CC(=O)O e8788fe9a5132c43f9e5136dbe3278ce [1,1,0,0,0,0|0,0,2]=4 30 B7R0.8 C=CCNC(C)(C)C 6c0b812000d6c6a48de43a4a3f837f6a [1,1,0,0,0,0|2,0,0]=4 31 B7R0.8 CC(C)(C)CNC=O 62263fecd6dfd3bbe3846c082198510b [1,1,0,0,0,0|1,0,0]=3 32 B7R0.8 CC(C)(C)NCC=O 84f91e0185bc7a8cbf173006cc00a31e [1,1,0,0,0,0|1,0,0]=3 33 B7R0.8 CC(C)(O)CNC=O 342a9b6d29541cfeadb382656f3815a5 [1,1,0,0,0,0|2,0,0]=4 34 B7R0.11 CC(C)(CF)NC=O ff7fc0b5fb780004ba739902f541960d [1,1,0,0,0,0|2,0,0]=4 35 B7R0.11 CC(C)(CO)NC=O b948c4623b1c99369aaa53f2724551dc [1,1,0,0,0,0|2,0,0]=4 36 B7R0.11 CCC(C)(C)NC=O 467bc47a116e7d37bf8e07bc1f187838 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.10 CC(=O)NC(C)C(C)(C)C a4bf66246dcf2107b144dd840725ce6c [0,1,0,0,0,1|2,0,0]=4 38 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)C d66f5e93c4bbb588d9e68fd8491a21c3 [0,1,0,0,0,1|2,0,0]=4 39 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 71e4c597c94beed3be03b4fa243d07cd [0,1,0,0,0,1|2,0,0]=4 40 B9R0.10 CN(CC(=O)N)C(C)(C)C 81ca6dbcd593219b93bf94bb144e8778 [0,1,0,0,0,1|2,0,0]=4 41 B9R0.10 CN(CC(=O)O)C(C)(C)C c7cbcdbd59bc98528a6d52b866d8c1bd [0,1,0,0,0,1|1,0,1]=4 42 B9R0.10 CN(C[N+](=O)[O-])C(C)(C)C 6bb3927b611b984a20d971d68f574a5b [0,1,0,0,0,1|2,0,0]=4 43 B9R0.21 C#CC(=O)NCC(C)(C)C ae13b7cfa89c389d2b1879f4257a7078 [0,1,0,0,0,1|2,0,0]=4 44 B9R0.21 C=C(C=O)OCC(C)(C)C bd51d721ac40be3f87262adca11fa0c4 [0,1,0,0,0,1|2,0,0]=4 45 B9R0.21 C=CC(=O)NCC(C)(C)C afb96502e64b99f2d4e4127ce6243bb3 [0,1,0,0,0,1|2,0,0]=4 46 B9R0.21 CC(C)(C)CNC(=O)C=O 547e69dacc840a49896495cbf1012326 [0,1,0,0,0,1|1,0,1]=4 47 B9R0.21 CC(C)(C)CNC(=O)CF 7a48aa9fac2b1b17faa1afffd837202d [0,1,0,0,0,1|2,0,0]=4 48 B9R0.21 CC(C)(C)CNC(=O)CO 3914f1faee54cf1a390a082749da7ebf [0,1,0,0,0,1|1,0,1]=4 49 B9R0.21 CC(C)(C)CNC(=O)CS 98a0b1adfc28344bd6ee632b9666c0f1 [0,1,0,0,0,1|1,1,0]=4 50 B9R0.21 CC(C)(C)NCC(=O)CO bd2920d44cbd48abf1be1ea18b7e8027 [0,1,0,0,0,1|1,0,1]=4 51 B9R0.21 CCC(=O)CNC(C)(C)C ee87b31fb8f70244e113e15b50332475 [0,1,0,0,0,1|2,0,0]=4 52 B9R0.21 CCC(=O)NCC(C)(C)C 0128812df792d35b060fb644cf032ab3 [0,1,0,0,0,1|2,0,0]=4 53 B9R0.21 CNC(=O)CNC(C)(C)C 92f4f42e3d0a2fc88cc8caf8c21ea609 [0,1,0,0,0,1|2,0,0]=4 54 B9R0.21 COC(=O)CNC(C)(C)C 46c32fde144901f82ab920e5e82a2fde [0,1,0,0,0,1|1,0,1]=4 55 B9R0.57 CC(=O)C(C)NC(C)(C)C 4aa071fff5decc1d4ed8276eac1749ed [0,1,0,0,0,1|2,0,0]=4 56 B9R0.57 CC(=O)N(C)CC(C)(C)C 7f5f1ba1a5ce75a29593efebb9170e16 [0,1,0,0,0,1|2,0,0]=4 57 B9R0.57 CC(C)(C)NC(F)C(=O)N 002856cfc9535a66a036b48bdd1385b4 [0,1,0,0,0,1|2,0,0]=4 58 B9R0.57 CC(C)(C)NC(F)C(=O)O caafb65aea0d94bbf30a2c8126339649 [0,1,0,0,0,1|1,0,1]=4 59 B9R0.57 CC(C)(C)N[C@@H](F)C(=O)O dd857def7675bf92d846e473c3b96153 [0,1,0,0,0,1|1,0,1]=4 60 B9R0.57 CC(NC(C)(C)C)C(=O)N eb85759cb04e25711e1ac7a2c45c93d9 [0,1,0,0,0,1|2,0,0]=4 61 B9R0.57 C[C@@H](NC(C)(C)C)C(=O)N 27179207da8e50bebdddd45ab927463e [0,1,0,0,0,1|2,0,0]=4 62 B9R0.57 C[C@H](NC(C)(C)C)C(=O)N f0e5a37056c2d7eae2b8afb8346ebd5b [0,1,0,0,0,1|2,0,0]=4 63 B9R0.64 CC(=O)NCC(C)(C)CF 35c376e83fb345feea30b4b52662f085 [0,1,0,0,0,1|2,0,0]=4 64 B9R0.64 CC(=O)NCC(C)(C)CO 3ef564fa58488a3437688fe1a969e512 [0,1,0,0,0,1|2,0,0]=4 65 B9R0.64 CC(C)(CF)NCC(=O)N f9a4b0f67788445592b26971e642378e [0,1,0,0,0,1|2,0,0]=4 66 B9R0.64 CC(C)(CF)NCC(=O)O 1a4e72b512223df8d349776ccef40e80 [0,1,0,0,0,1|1,0,1]=4 67 B9R0.64 CC(C)(CF)NC[N+](=O)[O-] 8a443dfe291c35099a16ace3bbd72ec8 [0,1,0,0,0,1|2,0,0]=4 68 B9R0.64 CC(C)(CO)NCC(=O)N dacbc56c3497dda920d4002ba9aafe2c [0,1,0,0,0,1|2,0,0]=4 69 B9R0.64 CC(C)(CO)NCC(=O)O 67fe174ec0e1fc280c3085d51bb29881 [0,1,0,0,0,1|1,0,1]=4 70 B9R0.64 CC(C)(CO)NC[N+](=O)[O-] 5b8e0e7b49a69c522649f37907c7207a [0,1,0,0,0,1|2,0,0]=4 71 B9R0.64 CCC(C)(C)CNC(=O)C a5d06d07f2be7328cab309362822b65c [0,1,0,0,0,1|2,0,0]=4 72 B9R0.64 CCC(C)(C)NCC(=O)N 28106e2989c09b9e47bc1095eab84054 [0,1,0,0,0,1|2,0,0]=4 73 B9R0.64 CCC(C)(C)NC[N+](=O)[O-] 8a53c83d3323237668c7eba89f4623e4 [0,1,0,0,0,1|2,0,0]=4 74 B9R0.64 COC(C)(C)CNC(=O)C 498dba83dc84f6d723d23e0aba6bb8a0 [0,1,0,0,0,1|2,0,0]=4 75 B9R0.44 CC(C)(C)CC(=O)NC#N 474676482d2bebe4d03a06f3f771315a [0,2,0,0,0,0|2,0,0]=4 76 B9R0.58 CC(=O)CC(C)(C)NCF 116e4df8e57f749c4048f396a8aa5e66 [0,2,0,0,0,0|2,0,0]=4 77 B9R0.58 CC(=O)CC(C)(C)NCO 4fab7924dd0cbe3a274bf3b4e0f14dd3 [0,2,0,0,0,0|2,0,0]=4 78 B9R0.58 CC(C)(CC(=O)N)NCF 1466fc446c66f7b3b9395ad4d960ba69 [0,2,0,0,0,0|2,0,0]=4 79 B9R0.58 CC(C)(CC(=O)N)NCO 154f6ee8f359f4301ba4fbcb495f1d16 [0,2,0,0,0,0|2,0,0]=4 80 B9R0.58 CC(C)(CC(=O)O)NCF 230342c0b6536257d64c9b6641dc9f32 [0,2,0,0,0,0|1,0,1]=4 81 B9R0.58 CC(C)(CC(=O)O)NCO e214872f61baefd9a58667932f0a622a [0,2,0,0,0,0|1,0,1]=4 82 B9R0.58 CCNC(C)(C)CC(=O)C 0a483d9b0e78dfb99f3239cddd5bae6f [0,2,0,0,0,0|2,0,0]=4 83 B9R0.58 CCNC(C)(C)CC(=O)N 7de0c734444bf18f757afb453ba7c286 [0,2,0,0,0,0|2,0,0]=4 84 B9R0.58 CCNC(C)(C)CC(=O)O c2e011573111aa7d9c8a484914b52077 [0,2,0,0,0,0|1,0,1]=4 85 B7R1.21 CC1(CC1)NC=O 07b8dc5a3dd0a56dffd330aa7b75c69f [1,0,0,1,0,0|2,0,0]=4 86 B7R1.23 CC1(CN1C=O)C 554667b638ac8d632390465d91f13ad0 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.147 CC1(CC1)NCC(=O)N 5520a845dfeb47eb234a7ac329e973b0 [0,0,0,1,0,1|2,0,0]=4 88 B9R1.147 CC1(CC1)NCC(=O)O 791305df7ecb343fa5b5da54e63f6381 [0,0,0,1,0,1|1,0,1]=4 89 B9R1.147 CC1(CC1)NC[N+](=O)[O-] a93e8a95a08a7014de116c1941cf7c47 [0,0,0,1,0,1|2,0,0]=4 90 B9R1.164 CC(=O)N1CC(C1)(C)C f18c22bebfcab65f460227a573465f7b [0,0,0,1,0,1|2,0,0]=4 91 B9R1.170 CC(=O)NC1CC1(C)C 61c79b4e42c36bc7a9365ff180f14cdd [0,0,0,1,0,1|2,0,0]=4 92 B9R1.170 CC(=O)N[C@@H]1CC1(C)C eba22b1ed44543f7d679da436f8b8d30 [0,0,0,1,0,1|2,0,0]=4 93 B9R1.170 CC(=O)N[C@H]1CC1(C)C 8c767d53d5dfba1d912673d478483d51 [0,0,0,1,0,1|2,0,0]=4 94 B9R1.170 CC1(CN1CC(=O)N)C 86e9bc4697c2603d8bce2ffd0971da9c [0,0,0,1,0,1|2,0,0]=4 95 B9R1.170 CC1(CN1CC(=O)O)C 3ccf565e03ddb18b56e78099947f70c7 [0,0,0,1,0,1|1,0,1]=4 96 B9R1.170 CC1(CN1C[N+](=O)[O-])C 161aabb40753cdfbad23c41c124e6889 [0,0,0,1,0,1|2,0,0]=4 97 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [1,0,0,0,0,1|2,0,0]=4 98 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [1,0,0,0,0,1|2,0,0]=4 99 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [1,0,0,0,0,1|2,0,0]=4 100 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [1,0,0,0,0,1|2,0,0]=4 101 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [1,0,0,0,0,1|1,0,1]=4 102 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [1,0,0,0,0,1|2,0,0]=4 103 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [1,0,0,0,0,1|1,0,1]=4 104 B7R0.6 CC(C)OC[N+](=O)[O-] a09a83c915051312c8a631b9d400a750 [1,0,0,0,0,1|2,0,0]=4 105 B9R0.56 CC(=O)CCNC(C)(C)C b023779b0c0e2fe6baca0495d01629b4 [0,0,0,0,0,2|2,0,0]=4 106 B9R0.56 CC(=O)CNCC(C)(C)C 5a51c105adf08d92886d7a3ab7ae9e9d [0,0,0,0,0,2|2,0,0]=4 107 B9R0.56 CC(=O)COCC(C)(C)C f73e33947450f6ad37f584c3c3998373 [0,0,0,0,0,2|2,0,0]=4 108 B9R0.56 CC(=O)NCCC(C)(C)C f95154014d81ef922c5c8e15b85f55af [0,0,0,0,0,2|2,0,0]=4 109 B9R0.56 CC(=O)OCNC(C)(C)C b83433bb442b5fd68635d3d5756f7cca [0,0,0,0,0,2|2,0,0]=4 110 B9R0.56 CC(C)(C)CNCC(=O)N 098c086062306af5622b8bef8d2a934d [0,0,0,0,0,2|2,0,0]=4 111 B9R0.56 CC(C)(C)CNCC(=O)O 48484e77a3391febaff23cc27f83c632 [0,0,0,0,0,2|1,0,1]=4 112 B9R0.56 CC(C)(C)CNC[N+](=O)[O-] d5de7f92de83d137f81ba0dafe942f2a [0,0,0,0,0,2|2,0,0]=4 113 B9R0.56 CC(C)(C)COCC(=O)N b3b2f81558cd6e8388aa89e3b9597332 [0,0,0,0,0,2|2,0,0]=4 114 B9R0.56 CC(C)(C)COCC(=O)O 6343d13d7538778e6be0ee5b157d3306 [0,0,0,0,0,2|1,0,1]=4 115 B9R0.56 CC(C)(C)COC[N+](=O)[O-] 1720db327a64cf5b769be60baba18382 [0,0,0,0,0,2|2,0,0]=4 116 B9R0.56 CC(C)(C)NCCC(=O)N 4711e739984f689495f99e53ee16b2a3 [0,0,0,0,0,2|2,0,0]=4 117 B9R0.56 CC(C)(C)NCCC(=O)O 843cfa476336bc74d5fb0cc3c9d1d480 [0,0,0,0,0,2|1,0,1]=4 118 B9R0.56 CC(C)(C)NCSC(=O)N de3a8e6feba7fddf7a1e361b80cac829 [0,0,0,0,0,2|2,0,0]=4