0 B10R1.131 CCN[C@@H]1C[C@@H](N(C1)C)C d938ac1955285f58301c7e4f83c22750 [0,1,0,0,0,0|3,0,0]=4 1 B10R1.131 CCN[C@@H]1C[C@H](N(C1)C)C 557f078d94030e2ce49c02d0d74b6329 [0,1,0,0,0,0|3,0,0]=4 2 B10R1.131 CCN[C@H]1C[C@@H](N(C1)C)C 6dd16081b1e4b44c72861e4daa3e8b8a [0,1,0,0,0,0|3,0,0]=4 3 B10R1.131 CCN[C@H]1C[C@H](N(C1)C)C 8ae6a7feb572e2daf2c361ac9c41e70a [0,1,0,0,0,0|3,0,0]=4 4 B10R1.131 CCNc1nc(c([nH]1)C)C aba10d739c18245e39d14f0d8f1f4530 [0,1,0,0,0,0|1,0,2]=4 5 B10R1.131 CCNc1nc(c(o1)C)C 79929d84ec764a930cfda2a36c737b77 [0,1,0,0,0,0|0,1,2]=4 6 B10R1.131 CCNc1nc(c(s1)Br)C 825d9c98c48d1301860a05782693b566 [0,1,0,0,0,0|1,0,2]=4 7 B10R1.131 CCNc1nc(c(s1)C)Br e6a7f81162fa83f996dbeef90c49ecad [0,1,0,0,0,0|1,0,2]=4 8 B10R1.131 CCNc1nc(c(s1)C)C e0e7c2f2926b589139339fa6bdd270c0 [0,1,0,0,0,0|0,0,2]=3 9 B10R1.131 CCNc1nc(c(s1)Cl)C d6e4cb29fca047755a2175f1de309168 [0,1,0,0,0,0|1,0,2]=4 10 B10R1.131 CCNc1nc(c(s1)I)C 32dbb3e7bb33260eb8f5415b5def0625 [0,1,0,0,0,0|1,0,2]=4 11 B10R1.131 CCNc1nc(n(n1)C)C 5f0808fcbe0af1a1cc821c8d3b1bd3da [0,1,0,0,0,0|2,0,1]=4 12 B10R1.131 CCO[C@@H]1C[C@@H](N(C1)C)C 6bc71891f9a8924702ee425ba2777815 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.131 CCO[C@@H]1C[C@H](N(C1)C)C d5b7ba31671f7bd7cff99708f661387f [0,1,0,0,0,0|3,0,0]=4 14 B10R1.131 CCO[C@H]1C[C@@H](N(C1)C)C 8947967c7c8286dda91a803577a7e114 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.131 CCO[C@H]1C[C@H](N(C1)C)C 82adf59fb4e986a0e3560d5bba6ee17b [0,1,0,0,0,0|3,0,0]=4 16 B10R1.131 Cc1nc(sc1C)NCF 6e8c3be0393cf485e1b405a9b35b99c5 [0,1,0,0,0,0|1,0,2]=4 17 B10R1.131 Cc1nc(sc1C)NCO 97871e49110ecee53bb2bb9c0e6d42f8 [0,1,0,0,0,0|1,0,2]=4 18 B8R0.8 CC(=O)C(C)NCCBr 3210bd9423ad5a5155327281550f5f25 [0,0,1,0,0,0|3,0,0]=4 19 B8R0.8 CC(=O)C(C)NCCF ddfa9965dd9a8b7bc370014a7270bc24 [0,0,1,0,0,0|3,0,0]=4 20 B8R0.8 CC(=O)C(C)NCCI a2fabb97dc000dda6bc097c4a9247332 [0,0,1,0,0,0|3,0,0]=4 21 B8R0.8 CC(=O)C(C)NCCO 2aeb3f0703a454ddc9d76e39bdb7fb76 [0,0,1,0,0,0|3,0,0]=4 22 B8R0.8 CC(=O)C(C)NCCS ec2fcb162cf9fe04c53dc8de339e343c [0,0,1,0,0,0|3,0,0]=4 23 B8R0.8 CC(=O)C(C)OCCF 2400feff3997df18334864838c96453f [0,0,1,0,0,0|2,1,0]=4 24 B8R0.8 CC(=O)C(C)OCCS 8423f1e18d91a46ab22e3647b29e1625 [0,0,1,0,0,0|2,1,0]=4 25 B8R0.8 CC(S)C(=O)NCCBr 126071a5e51b1b4d749efb8373eb23f1 [0,0,1,0,0,0|2,0,1]=4 26 B8R0.8 CC(S)C(=O)NCCF bd1e9d5683d56052e1e5cebd3f28f61a [0,0,1,0,0,0|2,0,1]=4 27 B8R0.8 CC(S)C(=O)NCCI d038059eeddb4ba2e800fd8c5ef18be5 [0,0,1,0,0,0|2,0,1]=4 28 B8R0.8 CC(S)C(=O)NCCO 3004d33b884c289d9839660aa24797db [0,0,1,0,0,0|2,0,1]=4 29 B8R0.8 CC(S)C(=O)NCCS 94de661ebd08e98861fe24c1031e17a2 [0,0,1,0,0,0|2,0,1]=4 30 B8R0.8 CC(S)C(C)OCCF 1a82d33a967486f6dabbc2bf69391b14 [0,0,1,0,0,0|2,0,1]=4 31 B8R0.8 CC(S)C(C)OCCS 58740347ee0e8989e94812a71b532a6f [0,0,1,0,0,0|2,0,1]=4 32 B8R0.8 CCCCN(C)C(=O)C 88d1b3a05bc92700007f7660d5b84e56 [0,0,1,0,0,0|3,0,0]=4 33 B8R0.8 CCCCN(C)C(C)C 4a3f335e6c2bdd887eef651ff194ba1b [0,0,1,0,0,0|3,0,0]=4 34 B8R0.8 CCCNC(=O)C(C)F 26c3e292e8bf81a2774c215b87fe205c [0,0,1,0,0,0|2,0,1]=4 35 B8R0.8 CCCNC(=O)C(C)O 1c4275cc840c120b08a43a51d620d9a2 [0,0,1,0,0,0|1,1,1]=4 36 B8R0.8 CCCNC(=O)C(C)S 14ef60dcd7bf53e38f1b48b3ac0916eb [0,0,1,0,0,0|1,0,1]=3 37 B8R0.8 CCCNC(=O)[C@@H](C)F 56745f27d02daa9bdc007207f8e02ad7 [0,0,1,0,0,0|2,0,1]=4 38 B8R0.8 CCCNC(=O)[C@@H](C)O dd45fdcbcb7fa52143ea0a380ce96207 [0,0,1,0,0,0|1,1,1]=4 39 B8R0.8 CCCNC(=O)[C@H](C)F a5efcba7d8423bf0c2ba50ff959f1165 [0,0,1,0,0,0|2,0,1]=4 40 B8R0.8 CCCNC(=O)[C@H](C)O b394796d74a22374522cf1e72768ff60 [0,0,1,0,0,0|1,1,1]=4 41 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [0,0,1,0,0,0|2,0,0]=3 42 B8R0.8 CCCNC(C)C(=O)N b2fc625c38ab8c709841d5c7372d4adf [0,0,1,0,0,0|2,0,1]=4 43 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [0,0,1,0,0,0|3,0,0]=4 44 B8R0.8 CCCNC(C)C(C)C 83fa3f7bca0f40e346b81c4ebe9a6195 [0,0,1,0,0,0|1,0,2]=4 45 B8R0.8 CCCNC(C)C(C)O d6d39af3e50c17151ef5fe5638b0cdf5 [0,0,1,0,0,0|0,1,2]=4 46 B8R0.8 CCCN[C@@H](C)C(=O)N 02dd18b86b56ba975cc40a36af64e278 [0,0,1,0,0,0|2,0,1]=4 47 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [0,0,1,0,0,0|3,0,0]=4 48 B8R0.8 CCCN[C@@H](C)C(C)C 5a80b176866eb6d633457f0bc9e03270 [0,0,1,0,0,0|1,0,2]=4 49 B8R0.8 CCCN[C@H](C)C(=O)N 99c67abc53ca408bd7a07e11216e0931 [0,0,1,0,0,0|2,0,1]=4 50 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [0,0,1,0,0,0|3,0,0]=4 51 B8R0.8 CCCN[C@H](C)C(C)C 51af879c22cb35c22f0cd191096adc82 [0,0,1,0,0,0|1,0,2]=4 52 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [0,0,1,0,0,0|1,1,0]=3 53 B8R0.8 CCCOC(C)C(=O)N 960017c2975c35a65e9a919d09986bae [0,0,1,0,0,0|1,1,1]=4 54 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [0,0,1,0,0,0|2,1,0]=4 55 B8R0.8 CCCOC(C)C(C)C 86f84b43e39046a302b7ae55be48399d [0,0,1,0,0,0|1,1,1]=4 56 B8R0.8 CCCOC(C)C(C)S 2259d80f2d369dc01415bcec83767bc2 [0,0,1,0,0,0|1,0,1]=3 57 B8R0.8 CCCO[C@@H](C)C(=O)N b8c1d5a3f29f788c88f92112d4a6c2ab [0,0,1,0,0,0|1,1,1]=4 58 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [0,0,1,0,0,0|2,1,0]=4 59 B8R0.8 CCCO[C@@H](C)C(C)C 2f41c5c2bb860ee77833a11f23aa4350 [0,0,1,0,0,0|1,1,1]=4 60 B8R0.8 CCCO[C@H](C)C(=O)N ca342d08f32f80afdbcc627d7b3ff5e4 [0,0,1,0,0,0|1,1,1]=4 61 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [0,0,1,0,0,0|2,1,0]=4 62 B8R0.8 CCCO[C@H](C)C(C)C 90a86ce0fea165a8278a7b9623fa00c4 [0,0,1,0,0,0|1,1,1]=4 63 B8R0.8 CCOCC(C)C(=O)C 7ed02ca7a024702f528cad10b88a8859 [0,0,1,0,0,0|3,0,0]=4 64 B8R0.8 COCOC(C)C(=O)C 9af88437e924837e1175779254d8725f [0,0,1,0,0,0|2,1,0]=4 65 B8R0.8 COCOC(C)C(C)S 07c83a99f164a6ba91e29c6a58d6c482 [0,0,1,0,0,0|2,0,1]=4 66 B8R0.8 CSCOC(C)C(=O)C c95aac72a50d87c47012f14e7a8068b2 [0,0,1,0,0,0|2,1,0]=4 67 B8R0.8 CSCOC(C)C(C)S 1b3c066b1800ad8e63563bca2a55b140 [0,0,1,0,0,0|2,0,1]=4 68 B8R0.19 C=CC(C)NC(C)CC e9ebdce484176221c839f82d3478dfcf [0,0,1,0,0,0|2,0,1]=4 69 B8R0.19 C=CC(C)N[C@@H](C)CC 2f0eb31eec332386adfd7c08306c8c8e [0,0,1,0,0,0|2,0,1]=4 70 B8R0.19 C=CC(C)N[C@H](C)CC 89c11e3a57bbd19c7277e9fb736a8310 [0,0,1,0,0,0|2,0,1]=4 71 B8R0.19 C=CC(C)OC(C)CC bc030ee1d54310e4e42e3ca28b627322 [0,0,1,0,0,0|1,1,1]=4 72 B8R0.19 C=CC(C)O[C@@H](C)CC 3c69a31efdac74917d5815feffec4931 [0,0,1,0,0,0|1,1,1]=4 73 B8R0.19 C=CC(C)O[C@H](C)CC 23874840195e0ea82a3608089cd552e1 [0,0,1,0,0,0|1,1,1]=4 74 B8R0.19 C=C[C@H](C)OC(C)CC 8317ad39d31f9c390bbb41cff204bc88 [0,0,1,0,0,0|1,1,1]=4 75 B8R0.19 CCC(=O)NC(C)CC 276f63d9911911bef583b63399d6babf [0,0,1,0,0,0|2,0,1]=4 76 B8R0.19 CCC(=O)N[C@@H](C)CC 5015556f6119dada9330f459ef8b4a95 [0,0,1,0,0,0|2,0,1]=4 77 B8R0.19 CCC(=O)N[C@H](C)CC 0aeecce7ca86d9a6cf7c4003d6b8deb5 [0,0,1,0,0,0|2,0,1]=4 78 B8R0.19 CCC(C)CN(C)CC c97a2f07dd5fecc0e91af558e8842f65 [0,0,1,0,0,0|3,0,0]=4 79 B8R0.19 CCC(C)NC(C)C=O 610b4a8ffb3807f31c76d2eb3d0b9780 [0,0,1,0,0,0|3,0,0]=4 80 B8R0.19 CCC(C)NC(C)CC 876c9dcdc0f8168933f9842ebfb49dcc [0,0,1,0,0,0|1,0,2]=4 81 B8R0.19 CCC(C)N[C@@H](C)CC 07e48a2963d6dfeaa91702f20bef1cab [0,0,1,0,0,0|1,0,2]=4 82 B8R0.19 CCC(C)N[C@H](C)C=O bcb94071dd29361c15a01b7c88596d57 [0,0,1,0,0,0|3,0,0]=4 83 B8R0.19 CCC(C)N[C@H](C)CC a2f8af3677e9bd218ed8125518b8e1d7 [0,0,1,0,0,0|1,0,2]=4 84 B8R0.19 CCC(C)OC(C)C=O eff298f26322e5014e51cb58e37ec95a [0,0,1,0,0,0|2,1,0]=4 85 B8R0.19 CCC(C)OC(C)CC 3470543b91d3e4ca0bc1a393ace3b2b7 [0,0,1,0,0,0|1,1,1]=4 86 B8R0.19 CCC(C)O[C@@H](C)CC 5b5f6724583f0bba5fdaf3b11471f3c4 [0,0,1,0,0,0|1,1,1]=4 87 B8R0.19 CCC(C)O[C@H](C)C=O 8b0db61f6f95e4e0ee500a8429036305 [0,0,1,0,0,0|2,1,0]=4 88 B8R0.19 CCC(C)O[C@H](C)CC 0baa98fec5db8845d4182fe89ad327a5 [0,0,1,0,0,0|1,1,1]=4 89 B8R0.19 CCC(O)CN(C)CC 05ba2ce1cbf52722b11091eb58aa8124 [0,0,1,0,0,0|2,1,0]=4 90 B8R0.19 CC[C@@H](C)CN(C)CC c7c9b5c0068d5d12f050f43bd2f96d97 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.19 CC[C@@H](C)NC(C)C=O abf2de4d64d8367bf152827fa19c8747 [0,0,1,0,0,0|3,0,0]=4 92 B8R0.19 CC[C@@H](C)N[C@H](C)C=O 3342a1648b9263897ca0c454c43aa5e6 [0,0,1,0,0,0|3,0,0]=4 93 B8R0.19 CC[C@@H](C)OC(C)C=O 665da496f78ef9cbb93bd2fbabb6c4bb [0,0,1,0,0,0|2,1,0]=4 94 B8R0.19 CC[C@@H](C)O[C@H](C)C=O 89b33ea7698450df463669e4946abea4 [0,0,1,0,0,0|2,1,0]=4 95 B8R0.19 CC[C@H](C)CN(C)CC a2f007d5d2fc9c89853c614ebf5a2522 [0,0,1,0,0,0|3,0,0]=4 96 B8R0.19 CC[C@H](C)NC(C)C=O 018c527e97f5ffc308f69037c7d3a009 [0,0,1,0,0,0|3,0,0]=4 97 B8R0.19 CC[C@H](C)N[C@H](C)C=O d64bf9f3a5fe53c581afe2fb82ccfd54 [0,0,1,0,0,0|3,0,0]=4 98 B8R0.19 CC[C@H](C)OC(C)C=O 0ca2a7fbf13c00f26ded9cafaaef3a1d [0,0,1,0,0,0|2,1,0]=4 99 B8R0.19 CC[C@H](C)O[C@H](C)C=O 65f006b95602312ad77964961ea5b1e5 [0,0,1,0,0,0|2,1,0]=4 100 B8R0.22 CCCC(CC)OCC 2f33f90cfe6f34bcef6403a269e3e2c2 [0,0,1,0,0,0|1,1,1]=4 101 B8R0.22 CCC[C@@H](CC)OCC b58a52b0075a76b2b518807461776ed4 [0,0,1,0,0,0|1,1,1]=4 102 B8R0.22 CCNC(CC)COC 521c86a50c9523c65950c003b096c2ad [0,0,1,0,0,0|3,0,0]=4 103 B8R0.22 CCOC(CC)COC 5abfd343e0b4d1c299a8c6b54e73b27d [0,0,1,0,0,0|2,1,0]=4 104 B8R0.22 CCOC(CC)CSC 8ed7b9fab73898e63015d64833b57a87 [0,0,1,0,0,0|2,1,0]=4 105 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [1,0,1,0,0,0|1,0,1]=4 106 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [1,0,1,0,0,0|0,1,1]=4 107 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [1,0,1,0,0,0|0,1,1]=4 108 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [1,0,1,0,0,0|2,0,0]=4 109 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [1,0,1,0,0,0|1,0,1]=4 110 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [1,0,1,0,0,0|1,0,1]=4 111 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [1,0,1,0,0,0|2,0,0]=4 112 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [1,0,1,0,0,0|0,0,2]=4 113 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [1,0,1,0,0,0|0,0,2]=4 114 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [1,0,1,0,0,0|2,0,0]=4 115 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [1,0,1,0,0,0|0,0,2]=4 116 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [1,0,1,0,0,0|1,1,0]=4 117 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [1,0,1,0,0,0|0,1,1]=4 118 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [1,0,1,0,0,0|1,0,1]=4 119 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [1,0,1,0,0,0|0,1,1]=4 120 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [1,0,1,0,0,0|1,1,0]=4 121 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [1,0,1,0,0,0|0,1,1]=4 122 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [1,0,1,0,0,0|1,0,1]=4 123 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [1,0,1,0,0,0|2,0,0]=4 124 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [1,0,1,0,0,0|1,1,0]=4 125 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [1,0,1,0,0,0|2,0,0]=4 126 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [1,0,1,0,0,0|1,1,0]=4 127 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [1,0,1,0,0,0|1,0,1]=4 128 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [1,0,1,0,0,0|2,0,0]=4 129 B7R0.5 CCCN(C)C(C)C 3141e8fbdc6c20712cffde27068901ab [1,0,1,0,0,0|2,0,0]=4 130 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [1,0,1,0,0,0|1,1,0]=4 131 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [1,0,1,0,0,0|1,0,1]=4 132 B7R0.2 CCC(C)NC(C)C 0cb605662148972b343a2865e41d2f95 [1,0,1,0,0,0|2,0,0]=4 133 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [1,0,1,0,0,0|1,1,0]=4 134 B7R0.2 CC[C@@H](C)NC(C)C fbd46dfde63f10a9f545bd04d72d3565 [1,0,1,0,0,0|2,0,0]=4 135 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [1,0,1,0,0,0|1,1,0]=4 136 B7R0.2 CC[C@H](C)NC(C)C df85b8e0c4ded03d149c43327f4a7c4a [1,0,1,0,0,0|2,0,0]=4 137 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [1,0,1,0,0,0|1,1,0]=4 138 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [1,0,1,0,0,0|1,1,0]=4 139 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [1,0,1,0,0,0|1,1,0]=4 140 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [1,0,1,0,0,0|0,1,1]=4 141 B7R0.12 CCC(CC)NC=O 4175bd0bc40e9e83245363507b336b46 [1,0,1,0,0,0|1,0,1]=4 142 B7R0.12 CCNC(CC)CC dd1a7011b4f855f8c1ad87e5ad908f9a [1,0,1,0,0,0|0,0,2]=4 143 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [1,0,1,0,0,0|0,1,1]=4 144 B9R0.6 CCCN(C)C(=O)C(C)S 5f0b4f0462a910f6e090ee21395d7ce8 [0,1,1,0,0,0|1,0,1]=4 145 B9R0.6 CCCN(C)C(C)C(=O)C 0ed03c9188e77740bffc26f0c2820448 [0,1,1,0,0,0|2,0,0]=4 146 B9R0.7 CC(=O)C(C)NCC(C)C 6c7b0a051632092ac486b69a0f1d681e [0,1,1,0,0,0|2,0,0]=4 147 B9R0.7 CC(=O)C(C)NCC(C)O 356fd4969f309cd17504ab4716b94b6b [0,1,1,0,0,0|2,0,0]=4 148 B9R0.7 CC(=O)C(C)NC[C@@H](C)O 4d15f3f2bfa0fb88c4597ad63dd7383a [0,1,1,0,0,0|2,0,0]=4 149 B9R0.7 CC(=O)C(C)NC[C@H](C)O 9f16d7df284b4ed6122cd930dc772e91 [0,1,1,0,0,0|2,0,0]=4 150 B9R0.7 CC(=O)C(C)OCC(C)C b597db97ba4a1b37c01b4596aa7d0e32 [0,1,1,0,0,0|1,1,0]=4 151 B9R0.7 CC(=O)C(C)OCC(C)F 4b45b9d962ab1d259ccbdd28caf6e6fa [0,1,1,0,0,0|1,1,0]=4 152 B9R0.7 CC(=O)C(C)OCC(C)S 17627540e8ffdc051ce55846de2b0596 [0,1,1,0,0,0|1,1,0]=4 153 B9R0.7 CC(=O)C(C)OC[C@@H](C)F 784436d88442fe992770881e7dbe9a49 [0,1,1,0,0,0|1,1,0]=4 154 B9R0.7 CC(=O)C(C)OC[C@H](C)F 19debbdbd9a9952a7cd21699233057a4 [0,1,1,0,0,0|1,1,0]=4 155 B9R0.7 CC(C)CNC(=O)C(C)S e9f0db9c77d7c340a727bb3812bf826e [0,1,1,0,0,0|1,0,1]=4 156 B9R0.7 CC(C)COC(C)C(C)S c8a4fdb1be7f754afc3154e2a8911115 [0,1,1,0,0,0|1,0,1]=4 157 B9R0.7 CC(O)CNC(=O)C(C)S 0310cdca6fc7815b5d7a1494facfc170 [0,1,1,0,0,0|1,0,1]=4 158 B9R0.7 CC(S)C(=O)NC[C@@H](C)O 0c8cb9d83c2437d1683d7bec00852f8d [0,1,1,0,0,0|1,0,1]=4 159 B9R0.7 CC(S)C(=O)NC[C@H](C)O 6c7b408ad33f9b889b8d325ac0f56488 [0,1,1,0,0,0|1,0,1]=4 160 B9R0.8 CCCNC(=O)C(C)SC c1cd647c94c4a028f65708b4f9b40b01 [0,1,1,0,0,0|1,0,1]=4 161 B9R0.8 CCCNC(=O)[C@@H](S)CC 307adf8ab625a0844c694fbfab2ae1cc [0,1,1,0,0,0|1,0,1]=4 162 B9R0.8 CCCNC(C)C(=O)CC 0217f82457b5f9eb91d7c99d41f3f7e0 [0,1,1,0,0,0|2,0,0]=4 163 B9R0.8 CCCNC(C)C(=O)NC 7e671fb821570ee51777de2cb4346876 [0,1,1,0,0,0|2,0,0]=4 164 B9R0.8 CCCNC(C)C(=O)OC 31247040e57fcd82f8a5006ea35f44b3 [0,1,1,0,0,0|2,0,0]=4 165 B9R0.8 CCCN[C@@H](C)C(=O)OC 59d491ac2868b6f8a0c3d1e8728d0ebe [0,1,1,0,0,0|2,0,0]=4 166 B9R0.8 CCCN[C@H](C)C(=O)OC 341714f23671a6f279f2ba9d2fc394e9 [0,1,1,0,0,0|2,0,0]=4 167 B9R0.8 CCCOC(C)C(=O)CC 8ed9139bb3e33585a0fa3a410f80c3d4 [0,1,1,0,0,0|1,1,0]=4 168 B9R0.8 CCCOC(C)C(=O)NC 6c6db500b3d123e7885d4c8a3542da86 [0,1,1,0,0,0|1,1,0]=4 169 B9R0.8 CCCOC(C)C(=O)OC 6aeb6cf87a11cad68a57c617fd4dd6b3 [0,1,1,0,0,0|1,1,0]=4 170 B9R0.8 CCCO[C@@H](C)C(=O)OC 74882931e69b82142f87fd9cd5771d40 [0,1,1,0,0,0|1,1,0]=4 171 B9R0.8 CCCO[C@H](C)C(=O)OC df7cac25b325230b3fd4729465a84aae [0,1,1,0,0,0|1,1,0]=4 172 B9R0.42 CCC(C)NC(=O)C(C)S 03802aba7687420d3d50483aeb1f79e6 [0,1,1,0,0,0|1,0,1]=4 173 B9R0.42 CCC(C)NC(C)C(=O)C d2076d1ba3d94792c9c6038946ccef31 [0,1,1,0,0,0|2,0,0]=4 174 B9R0.42 CCC(C)OC(C)C(=O)C 869490a476a05fd9f4215591c2108bcf [0,1,1,0,0,0|1,1,0]=4 175 B9R0.42 CCC(C)OC(C)C(C)S 7f6e08cfb19d76504cf2cbe93508cf22 [0,1,1,0,0,0|1,0,1]=4 176 B9R0.42 CC[C@@H](C)NC(=O)C(C)S d5424adbc5535a6361e29943b243571e [0,1,1,0,0,0|1,0,1]=4 177 B9R0.42 CC[C@@H](C)NC(C)C(=O)C b24456cc36463141fbd5e75c825a37f1 [0,1,1,0,0,0|2,0,0]=4 178 B9R0.42 CC[C@@H](C)OC(C)C(=O)C 295eb013673e453ac32386a805e93771 [0,1,1,0,0,0|1,1,0]=4 179 B9R0.42 CC[C@H](C)NC(=O)C(C)S 00b981dbeff48a12a9cd68611523d0c1 [0,1,1,0,0,0|1,0,1]=4 180 B9R0.42 CC[C@H](C)NC(C)C(=O)C 7113b1598f00dc879293959ff877ca42 [0,1,1,0,0,0|2,0,0]=4 181 B9R0.42 CC[C@H](C)OC(C)C(=O)C 6af11b8669d1b3b219988957a2f45060 [0,1,1,0,0,0|1,1,0]=4 182 B9R0.47 CC(=O)C(C)NCCCCl eda7aa9cc1bea1a5b1053123f010acb1 [0,1,1,0,0,0|2,0,0]=4 183 B9R0.47 CC(=O)C(C)NCCCO 4f1c0cc14cb97d06145440a0908ade4f [0,1,1,0,0,0|2,0,0]=4 184 B9R0.47 CC(=O)C(C)OCCCF ae1bb5f07026ca335c76712e926bea04 [0,1,1,0,0,0|1,1,0]=4 185 B9R0.47 CC(=O)C(C)OCCCS 94b5d5985bff151041a96c5eff5a3497 [0,1,1,0,0,0|1,1,0]=4 186 B9R0.47 CC(S)C(=O)NCCCCl 05d734958061f98542b34bc840ad141a [0,1,1,0,0,0|1,0,1]=4 187 B9R0.47 CC(S)C(=O)NCCCO 9c9a756ca302f24d018e148f7ef8d2f1 [0,1,1,0,0,0|1,0,1]=4 188 B9R0.47 CC(S)C(C)OCCCF 9a7a1eda6c6125dc62c4c2118d987410 [0,1,1,0,0,0|1,0,1]=4 189 B9R0.47 CC(S)C(C)OCCCS a1ab188152d396e5e1ef528d97778690 [0,1,1,0,0,0|1,0,1]=4 190 B9R0.47 CCCCNC(=O)C(C)S 407fba19f003dbd0035cfcbae9d2b461 [0,1,1,0,0,0|1,0,1]=4 191 B9R0.47 CCCCNC(C)C(=O)C d47055cc2a147dbd562c227dbc7db49f [0,1,1,0,0,0|2,0,0]=4 192 B9R0.47 CCCCOC(C)C(=O)C 3b3363fbf77442cb469e854d17d868a5 [0,1,1,0,0,0|1,1,0]=4 193 B9R0.47 CCCCOC(C)C(C)S caa0a6bcfd86b8ede6e667db0adbb1a2 [0,1,1,0,0,0|1,0,1]=4 194 B9R0.47 CCCOCC(C)C(=O)C 0fb5e42fbfa851146ec077857c58aebf [0,1,1,0,0,0|1,1,0]=4 195 B9R0.47 CCOCOC(C)C(=O)C e16dae6fcb5b5822fc0495911a40d476 [0,1,1,0,0,0|1,1,0]=4 196 B9R0.47 CCOCOC(C)C(C)S 8767134046e156c73118a2f3e1f92902 [0,1,1,0,0,0|1,0,1]=4 197 B9R0.47 COCCNC(=O)C(C)S 877901446246d2e87745fd1379dff32a [0,1,1,0,0,0|1,0,1]=4 198 B9R0.47 COCCNC(C)C(=O)C e605721d07f1888da1264c7777a1d7f6 [0,1,1,0,0,0|2,0,0]=4 199 B9R0.47 COCCOC(C)C(=O)C 24a90820a89d8134bef1dd36ccf03bab [0,1,1,0,0,0|1,1,0]=4 200 B9R0.47 COCCOC(C)C(C)S 439900a7618a130eed37e203cc548808 [0,1,1,0,0,0|1,0,1]=4 201 B9R0.47 CSCCNC(=O)C(C)S 5d659e6574e55e6387186ac6e83082fe [0,1,1,0,0,0|1,0,1]=4 202 B9R0.47 CSCCNC(C)C(=O)C 905a95c67bd090f2ba46188b2adb1eb3 [0,1,1,0,0,0|2,0,0]=4 203 B9R0.47 CSCCOC(C)C(=O)C b8905035aa4f1e09e6441486d0e4cab4 [0,1,1,0,0,0|1,1,0]=4 204 B9R0.47 CSCCOC(C)C(C)S 5d7e0214533ef33215047728901f2c95 [0,1,1,0,0,0|1,0,1]=4 205 B9R0.51 CCCNC(C)(C)C(=O)C ca7c001ce0bc04dc4136178f7edd7d1e [0,1,1,0,0,0|2,0,0]=4 206 B9R0.27 CC[C@H](S)C(=O)N(C)CC 4b048fd6523d53f83175bc30265017aa [0,1,1,0,0,0|2,0,0]=4 207 B9R0.34 C/C=C/C(C)OC(C)CC 6dcf3d5060b109a4774921c6b45f16cc [0,1,1,0,0,0|1,1,0]=4 208 B9R0.34 CC=CC(C)OC(C)CC b2767420e0325c45801889665e18f94c [0,1,1,0,0,0|1,1,0]=4 209 B9R1.7 CCNc1nc(cs1)C d6f1a2a4dfbfdca53a2398d3f561dee6 [1,1,0,0,0,0|0,0,2]=4 210 B9R1.7 CCNc1nc(ns1)C 2bae9c468ba3daae8385f5ed6a79771f [1,1,0,0,0,0|1,0,1]=4 211 B9R1.7 CCNc1ncc(s1)C ae46aabc9922e91eb11f8310a472106e [1,1,0,0,0,0|0,0,2]=4 212 B11R1.34 CCOC1C=C(CC(C1)C)C 7931a894782880c56f0c705bdbab3649 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.187 CCNc1nc(c(s1)C)CC bf8e13f5fac59c6aeb5b2123c2e5eb29 [0,2,0,0,0,0|0,0,2]=4 214 B11R1.187 CCNc1nc(c(s1)CC)C 25d1d3ed964da674f5074763c015b977 [0,2,0,0,0,0|0,0,2]=4 215 B11R1.187 CCNc1nc(c(s1)SC)C 7603cffca0a332afa16965053ba2260d [0,2,0,0,0,0|0,0,2]=4 216 B11R1.80 Cc1nc(sc1C)NC(C)C 7913eccf1d298bbbc7a50f9e957795f4 [0,2,0,0,0,0|0,0,2]=4 217 B11R1.231 CCCNc1nc(c(s1)C)C 7201a892affa98efb4119da71328a4f8 [0,2,0,0,0,0|0,0,2]=4 218 B11R1.231 CCNCc1nc(c(s1)C)C 5fc3ca5c06032a94cc747aecb3c3cc3d [0,2,0,0,0,0|0,0,2]=4 219 B11R1.231 CCOCc1nc(c(s1)C)C 3586bc67d70ed580799ba1a0bff5479f [0,2,0,0,0,0|0,0,2]=4 220 B11R1.231 COCNc1nc(c(s1)C)C fcc236549facb71f25984e95181f68a5 [0,2,0,0,0,0|0,0,2]=4 221 B11R1.231 CSCNc1nc(c(s1)C)C f1d42e9c4fdee0d455f91c2755cd2a54 [0,2,0,0,0,0|0,0,2]=4 222 B11R1.231 Cc1nc(sc1C)CNCF 417456b859ca77e3fa3b9d0e0529131f [0,2,0,0,0,0|0,0,2]=4 223 B11R1.231 Cc1nc(sc1C)CNCO 35e7254099dcae5c141fbb1941bde977 [0,2,0,0,0,0|0,0,2]=4 224 B11R1.231 Cc1nc(sc1C)COCF 9d01a2054455cc5aeff5612fc547b7b8 [0,2,0,0,0,0|0,0,2]=4 225 B11R1.231 Cc1nc(sc1C)NCCF 26eaa9a22734bd08615728a8b6ab4eb5 [0,2,0,0,0,0|0,0,2]=4 226 B11R1.231 Cc1nc(sc1C)NCCO 5e5d1023b0e3b75f5e093da4046c5f72 [0,2,0,0,0,0|0,0,2]=4 227 B11R1.231 Cc1nc(sc1C)NCCS bd517d41de849a60c042f39cea32544b [0,2,0,0,0,0|0,0,2]=4 228 B9R1.39 CCCOC1CCC1=O 6747d0d4bf3ca4d2474fd2057207f365 [0,0,1,1,0,0|1,1,0]=4 229 B9R1.110 CC(=O)C(C)N1CCC1 9f219de39e89ec6f8e9e33807d8dd477 [0,0,1,1,0,0|2,0,0]=4 230 B9R1.110 CC(S)C(=O)N1CCC1 8c324525feee81d16951ce8f1e079457 [0,0,1,1,0,0|1,0,1]=4 231 B9R1.112 CC(=O)C(C)NC1CC1 578daf6a12a73f9663c981f7bceeda1f [0,0,1,1,0,0|2,0,0]=4 232 B9R1.112 CC(=O)C(C)OC1CC1 30ddb4c797d348d98c57f0ee09328957 [0,0,1,1,0,0|1,1,0]=4 233 B9R1.112 CC(S)C(=O)NC1CC1 d7143a0b3b647941baeca87fea3e603c [0,0,1,1,0,0|1,0,1]=4 234 B9R1.112 CC(S)C(C)OC1CC1 f85297863aa3cd5e897c4adeed42047b [0,0,1,1,0,0|1,0,1]=4 235 B9R1.8 CCNC1C=CCCC1 381b66b498fdea5c28ca09d8304c5d3a [0,0,1,1,0,0|2,0,0]=4 236 B9R1.8 CCOC1C=CCCC1 7b09c8f3de0d6e6b8ab9978bfcb2c07e [0,0,1,1,0,0|1,1,0]=4 237 B7R0.10 CCC(C)N(C)CC 7f98f3cb5d001a509589f6f457ffe6ca [0,0,1,0,1,0|2,0,0]=4 238 B9R0.4 CCCCC(C)NC(=O)C 8c6d1ed0c215b53ce5178d84ca54f179 [0,0,1,0,0,1|2,0,0]=4 239 B9R0.4 CCCC[C@@H](C)NC(=O)C 438042d33778c53023e503021e96ec24 [0,0,1,0,0,1|2,0,0]=4 240 B9R0.4 CCCNC(C)OC(=O)C 284b4f4f851898134a79c6bd0e68afcb [0,0,1,0,0,1|2,0,0]=4 241 B9R0.4 CCCOC(C)OC(=O)C 6c8b7c881ac77e2983b8764698a63829 [0,0,1,0,0,1|1,1,0]=4